USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 56 HIS : no HD1:sc= -0.291 K(o=-1.7,f=-4.6!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.746 K(o=-1.7,f=0.15) USER MOD Set 1.3: A 66 ASN : amide:sc= -0.628 K(o=-1.7,f=0.15) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -143:sc= -0.0262 (180deg=-0.867) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 3 LYS NZ :NH3+ 138:sc= 1.48 (180deg=1.09) USER MOD Single : A 8 ASN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 16 GLN : amide:sc= -0.112 K(o=-0.11,f=-7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -146:sc= 0.071 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.904 K(o=-0.9,f=-1.5) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-3.5!) USER MOD Single : A 54 ASN : amide:sc= 0.575 K(o=0.57,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.8) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -2.348 17.126 2.103 1.00 0.00 N ATOM 84 CA VAL A 2 -3.045 16.323 3.100 1.00 0.00 C ATOM 85 C VAL A 2 -2.393 14.955 3.258 1.00 0.00 C ATOM 86 O VAL A 2 -2.187 14.236 2.280 1.00 0.00 O ATOM 87 CB VAL A 2 -4.528 16.133 2.731 1.00 0.00 C ATOM 88 CG1 VAL A 2 -5.266 15.402 3.842 1.00 0.00 C ATOM 89 CG2 VAL A 2 -5.181 17.476 2.440 1.00 0.00 C ATOM 0 HA VAL A 2 -2.980 16.864 4.044 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.584 15.524 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.312 15.277 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.813 14.423 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.203 15.981 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.229 17.323 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.115 18.112 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.668 17.957 1.607 1.00 0.00 H new ATOM 99 N LYS A 3 -2.069 14.599 4.497 1.00 0.00 N ATOM 100 CA LYS A 3 -1.441 13.315 4.785 1.00 0.00 C ATOM 101 C LYS A 3 -2.484 12.206 4.870 1.00 0.00 C ATOM 102 O LYS A 3 -3.642 12.454 5.209 1.00 0.00 O ATOM 103 CB LYS A 3 -0.654 13.392 6.096 1.00 0.00 C ATOM 104 CG LYS A 3 0.126 12.128 6.412 1.00 0.00 C ATOM 105 CD LYS A 3 1.071 12.334 7.584 1.00 0.00 C ATOM 106 CE LYS A 3 1.598 11.010 8.115 1.00 0.00 C ATOM 107 NZ LYS A 3 0.651 10.383 9.079 1.00 0.00 N ATOM 0 H LYS A 3 -2.231 15.182 5.318 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.756 13.083 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.038 14.233 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.345 13.596 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.568 11.319 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.695 11.821 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.907 12.961 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.553 12.866 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.773 10.329 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.559 11.171 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.594 9.361 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.989 10.541 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.291 10.808 8.966 1.00 0.00 H new ATOM 121 N LEU A 4 -2.067 10.983 4.562 1.00 0.00 N ATOM 122 CA LEU A 4 -2.965 9.835 4.605 1.00 0.00 C ATOM 123 C LEU A 4 -2.280 8.631 5.244 1.00 0.00 C ATOM 124 O LEU A 4 -1.115 8.348 4.968 1.00 0.00 O ATOM 125 CB LEU A 4 -3.437 9.478 3.194 1.00 0.00 C ATOM 126 CG LEU A 4 -4.162 10.585 2.429 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.381 10.177 0.980 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.488 10.916 3.098 1.00 0.00 C ATOM 0 H LEU A 4 -1.112 10.761 4.280 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.829 10.104 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.570 9.168 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.101 8.616 3.262 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.538 11.479 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.898 10.977 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.418 9.991 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.984 9.270 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.990 11.706 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.119 10.027 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.307 11.252 4.119 1.00 0.00 H new ATOM 140 N PHE A 5 -3.013 7.925 6.099 1.00 0.00 N ATOM 141 CA PHE A 5 -2.477 6.750 6.776 1.00 0.00 C ATOM 142 C PHE A 5 -3.000 5.467 6.137 1.00 0.00 C ATOM 143 O PHE A 5 -4.191 5.346 5.849 1.00 0.00 O ATOM 144 CB PHE A 5 -2.844 6.780 8.261 1.00 0.00 C ATOM 145 CG PHE A 5 -2.604 5.474 8.965 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.316 5.055 9.255 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.667 4.667 9.335 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.092 3.854 9.902 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.450 3.465 9.983 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.160 3.058 10.266 1.00 0.00 C ATOM 0 H PHE A 5 -3.979 8.146 6.339 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.392 6.768 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.265 7.561 8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.895 7.050 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.477 5.674 8.972 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.677 4.980 9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.083 3.539 10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.287 2.845 10.268 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.987 2.119 10.771 1.00 0.00 H new ATOM 160 N ILE A 6 -2.101 4.513 5.918 1.00 0.00 N ATOM 161 CA ILE A 6 -2.472 3.240 5.314 1.00 0.00 C ATOM 162 C ILE A 6 -1.904 2.068 6.108 1.00 0.00 C ATOM 163 O ILE A 6 -0.693 1.855 6.140 1.00 0.00 O ATOM 164 CB ILE A 6 -1.980 3.143 3.857 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.321 4.426 3.095 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.595 1.934 3.170 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.565 4.574 1.794 1.00 0.00 C ATOM 0 H ILE A 6 -1.111 4.598 6.150 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.561 3.191 5.326 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.897 3.022 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.391 4.443 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.106 5.285 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.238 1.879 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.308 1.028 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.681 2.027 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.856 5.505 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.494 4.589 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.799 3.734 1.140 1.00 0.00 H new ATOM 179 N GLY A 7 -2.789 1.310 6.748 1.00 0.00 N ATOM 180 CA GLY A 7 -2.358 0.168 7.533 1.00 0.00 C ATOM 181 C GLY A 7 -2.729 -1.153 6.888 1.00 0.00 C ATOM 182 O GLY A 7 -3.486 -1.186 5.919 1.00 0.00 O ATOM 0 H GLY A 7 -3.797 1.466 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.277 0.212 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.806 0.223 8.525 1.00 0.00 H new ATOM 186 N ASN A 8 -2.193 -2.243 7.425 1.00 0.00 N ATOM 187 CA ASN A 8 -2.471 -3.573 6.894 1.00 0.00 C ATOM 188 C ASN A 8 -1.902 -3.726 5.487 1.00 0.00 C ATOM 189 O ASN A 8 -2.604 -4.142 4.564 1.00 0.00 O ATOM 190 CB ASN A 8 -3.978 -3.834 6.878 1.00 0.00 C ATOM 191 CG ASN A 8 -4.313 -5.304 7.041 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.793 -5.730 8.092 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.059 -6.087 5.999 1.00 0.00 N ATOM 0 H ASN A 8 -1.564 -2.232 8.228 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.990 -4.304 7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.451 -3.266 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.397 -3.471 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.262 -7.085 6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.661 -5.690 5.148 1.00 0.00 H new ATOM 200 N LEU A 9 -0.627 -3.388 5.330 1.00 0.00 N ATOM 201 CA LEU A 9 0.037 -3.488 4.035 1.00 0.00 C ATOM 202 C LEU A 9 0.687 -4.857 3.861 1.00 0.00 C ATOM 203 O LEU A 9 1.242 -5.431 4.798 1.00 0.00 O ATOM 204 CB LEU A 9 1.091 -2.388 3.894 1.00 0.00 C ATOM 205 CG LEU A 9 0.560 -0.957 3.798 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.709 0.036 3.739 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.343 -0.804 2.583 1.00 0.00 C ATOM 0 H LEU A 9 -0.032 -3.042 6.083 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.716 -3.363 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.765 -2.447 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.685 -2.594 3.004 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.028 -0.747 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.312 1.049 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.316 -0.056 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.325 -0.172 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.712 0.220 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.221 -1.033 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.186 -1.489 2.668 1.00 0.00 H new ATOM 219 N PRO A 10 0.621 -5.392 2.633 1.00 0.00 N ATOM 220 CA PRO A 10 1.201 -6.698 2.307 1.00 0.00 C ATOM 221 C PRO A 10 2.708 -6.626 2.090 1.00 0.00 C ATOM 222 O PRO A 10 3.324 -5.579 2.292 1.00 0.00 O ATOM 223 CB PRO A 10 0.491 -7.086 1.007 1.00 0.00 C ATOM 224 CG PRO A 10 0.138 -5.788 0.367 1.00 0.00 C ATOM 225 CD PRO A 10 -0.024 -4.763 1.469 1.00 0.00 C ATOM 0 HA PRO A 10 1.065 -7.417 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.139 -7.681 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.398 -7.685 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.917 -5.481 -0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.784 -5.882 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.453 -3.818 1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.075 -4.547 1.663 1.00 0.00 H new ATOM 233 N ARG A 11 3.296 -7.743 1.676 1.00 0.00 N ATOM 234 CA ARG A 11 4.732 -7.806 1.432 1.00 0.00 C ATOM 235 C ARG A 11 5.054 -7.449 -0.017 1.00 0.00 C ATOM 236 O ARG A 11 6.154 -6.992 -0.323 1.00 0.00 O ATOM 237 CB ARG A 11 5.266 -9.203 1.755 1.00 0.00 C ATOM 238 CG ARG A 11 6.676 -9.449 1.245 1.00 0.00 C ATOM 239 CD ARG A 11 7.420 -10.444 2.122 1.00 0.00 C ATOM 240 NE ARG A 11 7.604 -9.944 3.482 1.00 0.00 N ATOM 241 CZ ARG A 11 8.533 -10.402 4.313 1.00 0.00 C ATOM 242 NH1 ARG A 11 9.359 -11.364 3.926 1.00 0.00 N ATOM 243 NH2 ARG A 11 8.638 -9.896 5.536 1.00 0.00 N ATOM 0 H ARG A 11 2.800 -8.617 1.502 1.00 0.00 H new ATOM 0 HA ARG A 11 5.217 -7.080 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.249 -9.348 2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.597 -9.947 1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.634 -9.824 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.223 -8.507 1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.868 -11.384 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.393 -10.660 1.680 1.00 0.00 H new ATOM 0 HE ARG A 11 6.985 -9.203 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.282 -11.755 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.071 -11.713 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.005 -9.155 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.352 -10.248 6.174 1.00 0.00 H new ATOM 257 N GLU A 12 4.085 -7.663 -0.902 1.00 0.00 N ATOM 258 CA GLU A 12 4.267 -7.365 -2.318 1.00 0.00 C ATOM 259 C GLU A 12 4.138 -5.868 -2.580 1.00 0.00 C ATOM 260 O GLU A 12 4.773 -5.328 -3.486 1.00 0.00 O ATOM 261 CB GLU A 12 3.243 -8.131 -3.158 1.00 0.00 C ATOM 262 CG GLU A 12 3.466 -9.634 -3.168 1.00 0.00 C ATOM 263 CD GLU A 12 4.705 -10.035 -3.946 1.00 0.00 C ATOM 264 OE1 GLU A 12 4.894 -9.517 -5.066 1.00 0.00 O ATOM 265 OE2 GLU A 12 5.483 -10.866 -3.435 1.00 0.00 O ATOM 0 H GLU A 12 3.168 -8.041 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 12 5.270 -7.681 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.244 -7.923 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.276 -7.760 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.554 -9.991 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.594 -10.124 -3.602 1.00 0.00 H new ATOM 272 N ALA A 13 3.310 -5.202 -1.781 1.00 0.00 N ATOM 273 CA ALA A 13 3.098 -3.767 -1.925 1.00 0.00 C ATOM 274 C ALA A 13 4.421 -3.034 -2.120 1.00 0.00 C ATOM 275 O ALA A 13 5.409 -3.322 -1.443 1.00 0.00 O ATOM 276 CB ALA A 13 2.362 -3.218 -0.712 1.00 0.00 C ATOM 0 H ALA A 13 2.775 -5.634 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 13 2.487 -3.602 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.210 -2.145 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.395 -3.713 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.952 -3.402 0.186 1.00 0.00 H new ATOM 282 N THR A 14 4.435 -2.084 -3.050 1.00 0.00 N ATOM 283 CA THR A 14 5.636 -1.311 -3.335 1.00 0.00 C ATOM 284 C THR A 14 5.338 0.184 -3.349 1.00 0.00 C ATOM 285 O THR A 14 4.308 0.615 -3.866 1.00 0.00 O ATOM 286 CB THR A 14 6.255 -1.712 -4.688 1.00 0.00 C ATOM 287 OG1 THR A 14 5.296 -1.535 -5.737 1.00 0.00 O ATOM 288 CG2 THR A 14 6.723 -3.159 -4.661 1.00 0.00 C ATOM 0 H THR A 14 3.627 -1.832 -3.619 1.00 0.00 H new ATOM 0 HA THR A 14 6.348 -1.529 -2.539 1.00 0.00 H new ATOM 0 HB THR A 14 7.117 -1.071 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.697 -1.790 -6.594 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.156 -3.419 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.474 -3.284 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.875 -3.812 -4.456 1.00 0.00 H new ATOM 296 N GLU A 15 6.246 0.970 -2.779 1.00 0.00 N ATOM 297 CA GLU A 15 6.078 2.417 -2.726 1.00 0.00 C ATOM 298 C GLU A 15 5.386 2.931 -3.986 1.00 0.00 C ATOM 299 O GLU A 15 4.551 3.833 -3.923 1.00 0.00 O ATOM 300 CB GLU A 15 7.435 3.105 -2.560 1.00 0.00 C ATOM 301 CG GLU A 15 7.352 4.458 -1.874 1.00 0.00 C ATOM 302 CD GLU A 15 7.151 5.597 -2.854 1.00 0.00 C ATOM 303 OE1 GLU A 15 6.347 5.436 -3.796 1.00 0.00 O ATOM 304 OE2 GLU A 15 7.797 6.651 -2.678 1.00 0.00 O ATOM 0 H GLU A 15 7.105 0.629 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 15 5.451 2.653 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.094 2.455 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.891 3.232 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.529 4.449 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.266 4.630 -1.306 1.00 0.00 H new ATOM 311 N GLN A 16 5.740 2.349 -5.127 1.00 0.00 N ATOM 312 CA GLN A 16 5.154 2.749 -6.401 1.00 0.00 C ATOM 313 C GLN A 16 3.674 2.388 -6.457 1.00 0.00 C ATOM 314 O GLN A 16 2.813 3.266 -6.499 1.00 0.00 O ATOM 315 CB GLN A 16 5.898 2.082 -7.560 1.00 0.00 C ATOM 316 CG GLN A 16 7.115 2.862 -8.031 1.00 0.00 C ATOM 317 CD GLN A 16 8.372 2.500 -7.264 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.310 2.096 -6.103 1.00 0.00 O ATOM 319 NE2 GLN A 16 9.522 2.644 -7.912 1.00 0.00 N ATOM 0 H GLN A 16 6.429 1.600 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 16 5.249 3.831 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.213 1.085 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.211 1.956 -8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.274 2.673 -9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.922 3.929 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.526 2.982 -8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.401 2.416 -7.448 1.00 0.00 H new ATOM 328 N GLU A 17 3.386 1.090 -6.456 1.00 0.00 N ATOM 329 CA GLU A 17 2.008 0.614 -6.508 1.00 0.00 C ATOM 330 C GLU A 17 1.097 1.492 -5.655 1.00 0.00 C ATOM 331 O GLU A 17 0.048 1.944 -6.113 1.00 0.00 O ATOM 332 CB GLU A 17 1.929 -0.838 -6.030 1.00 0.00 C ATOM 333 CG GLU A 17 2.482 -1.839 -7.031 1.00 0.00 C ATOM 334 CD GLU A 17 2.412 -3.267 -6.526 1.00 0.00 C ATOM 335 OE1 GLU A 17 2.683 -3.488 -5.328 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.086 -4.165 -7.331 1.00 0.00 O ATOM 0 H GLU A 17 4.087 0.350 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 17 1.670 0.668 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.477 -0.933 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.889 -1.086 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.925 -1.760 -7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.518 -1.587 -7.256 1.00 0.00 H new ATOM 343 N ILE A 18 1.505 1.727 -4.413 1.00 0.00 N ATOM 344 CA ILE A 18 0.726 2.550 -3.496 1.00 0.00 C ATOM 345 C ILE A 18 0.570 3.970 -4.030 1.00 0.00 C ATOM 346 O ILE A 18 -0.546 4.462 -4.197 1.00 0.00 O ATOM 347 CB ILE A 18 1.375 2.607 -2.101 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.594 1.193 -1.558 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.511 3.419 -1.147 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.384 0.297 -1.701 1.00 0.00 C ATOM 0 H ILE A 18 2.371 1.359 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.256 2.086 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 18 2.345 3.097 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.436 0.739 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.868 1.255 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.983 3.450 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.402 4.434 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.472 2.956 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.611 -0.689 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.455 0.729 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.122 0.204 -2.755 1.00 0.00 H new ATOM 362 N ARG A 19 1.696 4.623 -4.298 1.00 0.00 N ATOM 363 CA ARG A 19 1.685 5.986 -4.814 1.00 0.00 C ATOM 364 C ARG A 19 0.733 6.111 -6.000 1.00 0.00 C ATOM 365 O ARG A 19 -0.107 7.010 -6.043 1.00 0.00 O ATOM 366 CB ARG A 19 3.095 6.408 -5.232 1.00 0.00 C ATOM 367 CG ARG A 19 3.173 7.829 -5.766 1.00 0.00 C ATOM 368 CD ARG A 19 4.368 8.013 -6.687 1.00 0.00 C ATOM 369 NE ARG A 19 4.320 9.288 -7.399 1.00 0.00 N ATOM 370 CZ ARG A 19 5.138 9.604 -8.396 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.063 8.743 -8.798 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.032 10.784 -8.994 1.00 0.00 N ATOM 0 H ARG A 19 2.628 4.230 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 19 1.337 6.645 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.762 6.314 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.459 5.721 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.256 8.067 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.243 8.529 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.287 7.958 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.399 7.196 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 19 3.620 9.973 -7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.148 7.835 -8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.690 8.989 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.322 11.449 -8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.661 11.026 -9.760 1.00 0.00 H new ATOM 386 N SER A 20 0.870 5.202 -6.961 1.00 0.00 N ATOM 387 CA SER A 20 0.025 5.213 -8.149 1.00 0.00 C ATOM 388 C SER A 20 -1.451 5.250 -7.766 1.00 0.00 C ATOM 389 O SER A 20 -2.207 6.099 -8.241 1.00 0.00 O ATOM 390 CB SER A 20 0.309 3.982 -9.013 1.00 0.00 C ATOM 391 OG SER A 20 -0.129 4.183 -10.346 1.00 0.00 O ATOM 0 H SER A 20 1.558 4.449 -6.940 1.00 0.00 H new ATOM 0 HA SER A 20 0.256 6.112 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.378 3.768 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.193 3.112 -8.589 1.00 0.00 H new ATOM 0 HG SER A 20 0.065 3.383 -10.878 1.00 0.00 H new ATOM 397 N LEU A 21 -1.855 4.323 -6.904 1.00 0.00 N ATOM 398 CA LEU A 21 -3.241 4.248 -6.456 1.00 0.00 C ATOM 399 C LEU A 21 -3.793 5.639 -6.156 1.00 0.00 C ATOM 400 O LEU A 21 -4.936 5.950 -6.491 1.00 0.00 O ATOM 401 CB LEU A 21 -3.348 3.366 -5.211 1.00 0.00 C ATOM 402 CG LEU A 21 -3.215 1.860 -5.442 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.190 1.117 -4.116 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.352 1.353 -6.318 1.00 0.00 C ATOM 0 H LEU A 21 -1.243 3.613 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.833 3.807 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.577 3.674 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.311 3.557 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.273 1.672 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.095 0.047 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.342 1.460 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.115 1.311 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.242 0.280 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.305 1.553 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.324 1.863 -7.281 1.00 0.00 H new ATOM 416 N PHE A 22 -2.972 6.472 -5.526 1.00 0.00 N ATOM 417 CA PHE A 22 -3.376 7.830 -5.182 1.00 0.00 C ATOM 418 C PHE A 22 -3.204 8.767 -6.374 1.00 0.00 C ATOM 419 O PHE A 22 -3.970 9.714 -6.548 1.00 0.00 O ATOM 420 CB PHE A 22 -2.560 8.343 -3.994 1.00 0.00 C ATOM 421 CG PHE A 22 -2.939 7.707 -2.687 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.993 8.205 -1.939 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.241 6.610 -2.207 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.343 7.622 -0.736 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.587 6.023 -1.005 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.640 6.529 -0.269 1.00 0.00 C ATOM 0 H PHE A 22 -2.022 6.230 -5.243 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.431 7.809 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.502 8.161 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.688 9.422 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.548 9.059 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.417 6.209 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.166 8.021 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.034 5.169 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.913 6.071 0.670 1.00 0.00 H new ATOM 436 N GLU A 23 -2.192 8.495 -7.192 1.00 0.00 N ATOM 437 CA GLU A 23 -1.918 9.314 -8.367 1.00 0.00 C ATOM 438 C GLU A 23 -3.132 9.363 -9.290 1.00 0.00 C ATOM 439 O GLU A 23 -3.258 10.265 -10.118 1.00 0.00 O ATOM 440 CB GLU A 23 -0.708 8.767 -9.126 1.00 0.00 C ATOM 441 CG GLU A 23 0.617 9.031 -8.430 1.00 0.00 C ATOM 442 CD GLU A 23 1.245 10.345 -8.850 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.993 10.787 -9.991 1.00 0.00 O ATOM 444 OE2 GLU A 23 1.989 10.933 -8.037 1.00 0.00 O ATOM 0 H GLU A 23 -1.549 7.714 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.698 10.327 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.830 7.692 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.682 9.213 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.462 9.035 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.307 8.216 -8.650 1.00 0.00 H new ATOM 451 N GLN A 24 -4.021 8.387 -9.142 1.00 0.00 N ATOM 452 CA GLN A 24 -5.224 8.318 -9.963 1.00 0.00 C ATOM 453 C GLN A 24 -6.267 9.323 -9.487 1.00 0.00 C ATOM 454 O GLN A 24 -7.180 9.685 -10.229 1.00 0.00 O ATOM 455 CB GLN A 24 -5.809 6.905 -9.932 1.00 0.00 C ATOM 456 CG GLN A 24 -4.853 5.839 -10.444 1.00 0.00 C ATOM 457 CD GLN A 24 -5.545 4.519 -10.721 1.00 0.00 C ATOM 458 OE1 GLN A 24 -6.126 4.322 -11.789 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.486 3.606 -9.759 1.00 0.00 N ATOM 0 H GLN A 24 -3.931 7.633 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.948 8.567 -10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.097 6.662 -8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.719 6.884 -10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.375 6.193 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.062 5.683 -9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.994 3.812 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.933 2.698 -9.889 1.00 0.00 H new ATOM 468 N TYR A 25 -6.125 9.771 -8.244 1.00 0.00 N ATOM 469 CA TYR A 25 -7.057 10.732 -7.667 1.00 0.00 C ATOM 470 C TYR A 25 -6.329 11.998 -7.224 1.00 0.00 C ATOM 471 O TYR A 25 -6.887 12.831 -6.511 1.00 0.00 O ATOM 472 CB TYR A 25 -7.793 10.111 -6.479 1.00 0.00 C ATOM 473 CG TYR A 25 -8.247 8.690 -6.723 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.383 7.620 -6.530 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.542 8.417 -7.148 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.793 6.320 -6.753 1.00 0.00 C ATOM 477 CE2 TYR A 25 -9.962 7.121 -7.372 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.084 6.076 -7.174 1.00 0.00 C ATOM 479 OH TYR A 25 -9.497 4.782 -7.396 1.00 0.00 O ATOM 0 H TYR A 25 -5.373 9.484 -7.617 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.783 11.001 -8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.139 10.130 -5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.661 10.725 -6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.372 7.808 -6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.232 9.233 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.107 5.500 -6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.972 6.927 -7.700 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.433 4.783 -7.687 1.00 0.00 H new ATOM 489 N GLY A 26 -5.078 12.134 -7.653 1.00 0.00 N ATOM 490 CA GLY A 26 -4.293 13.300 -7.292 1.00 0.00 C ATOM 491 C GLY A 26 -2.817 12.985 -7.154 1.00 0.00 C ATOM 492 O GLY A 26 -2.444 11.943 -6.615 1.00 0.00 O ATOM 0 H GLY A 26 -4.594 11.458 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.427 14.073 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.664 13.707 -6.351 1.00 0.00 H new ATOM 496 N LYS A 27 -1.972 13.886 -7.644 1.00 0.00 N ATOM 497 CA LYS A 27 -0.528 13.700 -7.574 1.00 0.00 C ATOM 498 C LYS A 27 -0.076 13.494 -6.132 1.00 0.00 C ATOM 499 O LYS A 27 -0.519 14.198 -5.225 1.00 0.00 O ATOM 500 CB LYS A 27 0.192 14.908 -8.178 1.00 0.00 C ATOM 501 CG LYS A 27 1.684 14.692 -8.370 1.00 0.00 C ATOM 502 CD LYS A 27 2.260 15.661 -9.389 1.00 0.00 C ATOM 503 CE LYS A 27 2.740 16.944 -8.729 1.00 0.00 C ATOM 504 NZ LYS A 27 3.234 17.931 -9.729 1.00 0.00 N ATOM 0 H LYS A 27 -2.263 14.754 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.273 12.809 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.259 15.145 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.038 15.773 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.197 14.818 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.865 13.668 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.090 15.188 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.503 15.897 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.924 17.385 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.537 16.713 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.552 18.792 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.029 17.520 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.466 18.171 -10.388 1.00 0.00 H new ATOM 518 N VAL A 28 0.812 12.526 -5.927 1.00 0.00 N ATOM 519 CA VAL A 28 1.326 12.229 -4.596 1.00 0.00 C ATOM 520 C VAL A 28 2.631 12.972 -4.333 1.00 0.00 C ATOM 521 O VAL A 28 3.464 13.124 -5.228 1.00 0.00 O ATOM 522 CB VAL A 28 1.562 10.718 -4.409 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.408 10.459 -3.172 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.236 9.979 -4.322 1.00 0.00 C ATOM 0 H VAL A 28 1.190 11.934 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 28 0.571 12.562 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 28 2.105 10.342 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.564 9.387 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.372 10.957 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.895 10.848 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.422 8.913 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.335 10.356 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.330 10.138 -5.240 1.00 0.00 H new ATOM 534 N LEU A 29 2.804 13.435 -3.099 1.00 0.00 N ATOM 535 CA LEU A 29 4.008 14.163 -2.717 1.00 0.00 C ATOM 536 C LEU A 29 4.971 13.260 -1.952 1.00 0.00 C ATOM 537 O LEU A 29 6.137 13.126 -2.320 1.00 0.00 O ATOM 538 CB LEU A 29 3.644 15.378 -1.863 1.00 0.00 C ATOM 539 CG LEU A 29 2.473 16.224 -2.364 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.168 17.348 -1.386 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.774 16.785 -3.747 1.00 0.00 C ATOM 0 H LEU A 29 2.125 13.319 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 29 4.502 14.502 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.412 15.032 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.522 16.019 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 29 1.593 15.585 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.332 17.939 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.908 16.925 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.045 17.987 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.930 17.384 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.667 17.409 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.941 15.964 -4.444 1.00 0.00 H new ATOM 553 N GLU A 30 4.472 12.641 -0.886 1.00 0.00 N ATOM 554 CA GLU A 30 5.288 11.749 -0.070 1.00 0.00 C ATOM 555 C GLU A 30 4.674 10.353 -0.009 1.00 0.00 C ATOM 556 O GLU A 30 3.464 10.203 0.164 1.00 0.00 O ATOM 557 CB GLU A 30 5.442 12.313 1.344 1.00 0.00 C ATOM 558 CG GLU A 30 6.519 13.377 1.461 1.00 0.00 C ATOM 559 CD GLU A 30 6.115 14.690 0.819 1.00 0.00 C ATOM 560 OE1 GLU A 30 5.047 15.224 1.185 1.00 0.00 O ATOM 561 OE2 GLU A 30 6.866 15.183 -0.048 1.00 0.00 O ATOM 0 H GLU A 30 3.508 12.741 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 30 6.272 11.674 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.489 12.736 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.674 11.497 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.744 13.546 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.434 13.015 0.993 1.00 0.00 H new ATOM 568 N CYS A 31 5.517 9.336 -0.154 1.00 0.00 N ATOM 569 CA CYS A 31 5.058 7.952 -0.117 1.00 0.00 C ATOM 570 C CYS A 31 6.073 7.062 0.592 1.00 0.00 C ATOM 571 O CYS A 31 7.124 6.738 0.038 1.00 0.00 O ATOM 572 CB CYS A 31 4.812 7.437 -1.536 1.00 0.00 C ATOM 573 SG CYS A 31 4.136 5.761 -1.605 1.00 0.00 S ATOM 0 H CYS A 31 6.521 9.444 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 31 4.122 7.919 0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.126 8.115 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.751 7.462 -2.088 1.00 0.00 H new ATOM 0 HG CYS A 31 4.592 5.152 -2.659 1.00 0.00 H new ATOM 579 N ASP A 32 5.753 6.671 1.821 1.00 0.00 N ATOM 580 CA ASP A 32 6.637 5.818 2.607 1.00 0.00 C ATOM 581 C ASP A 32 5.927 4.532 3.018 1.00 0.00 C ATOM 582 O ASP A 32 4.704 4.428 2.922 1.00 0.00 O ATOM 583 CB ASP A 32 7.129 6.563 3.848 1.00 0.00 C ATOM 584 CG ASP A 32 8.109 7.668 3.510 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.033 7.417 2.707 1.00 0.00 O ATOM 586 OD2 ASP A 32 7.953 8.785 4.047 1.00 0.00 O ATOM 0 H ASP A 32 4.888 6.931 2.294 1.00 0.00 H new ATOM 0 HA ASP A 32 7.494 5.556 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.275 6.988 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.604 5.856 4.528 1.00 0.00 H new ATOM 591 N ILE A 33 6.703 3.554 3.474 1.00 0.00 N ATOM 592 CA ILE A 33 6.148 2.275 3.900 1.00 0.00 C ATOM 593 C ILE A 33 7.017 1.629 4.974 1.00 0.00 C ATOM 594 O ILE A 33 8.089 1.097 4.682 1.00 0.00 O ATOM 595 CB ILE A 33 6.006 1.301 2.715 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.082 1.893 1.649 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.478 -0.043 3.195 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.756 0.928 0.530 1.00 0.00 C ATOM 0 H ILE A 33 7.717 3.623 3.558 1.00 0.00 H new ATOM 0 HA ILE A 33 5.160 2.481 4.311 1.00 0.00 H new ATOM 0 HB ILE A 33 6.989 1.145 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.154 2.215 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.550 2.782 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.383 -0.721 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.170 -0.467 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.502 0.095 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.097 1.414 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.677 0.624 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.259 0.049 0.941 1.00 0.00 H new ATOM 610 N ILE A 34 6.547 1.677 6.215 1.00 0.00 N ATOM 611 CA ILE A 34 7.280 1.093 7.332 1.00 0.00 C ATOM 612 C ILE A 34 6.327 0.561 8.397 1.00 0.00 C ATOM 613 O ILE A 34 5.179 0.995 8.491 1.00 0.00 O ATOM 614 CB ILE A 34 8.232 2.117 7.977 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.898 2.976 6.900 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.281 1.408 8.820 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.557 4.225 7.444 1.00 0.00 C ATOM 0 H ILE A 34 5.662 2.114 6.473 1.00 0.00 H new ATOM 0 HA ILE A 34 7.866 0.268 6.928 1.00 0.00 H new ATOM 0 HB ILE A 34 7.651 2.770 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.646 2.377 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.150 3.262 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.946 2.146 9.269 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.790 0.836 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.860 0.734 8.189 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.008 4.785 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.809 4.845 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.329 3.946 8.161 1.00 0.00 H new ATOM 629 N LYS A 35 6.812 -0.381 9.199 1.00 0.00 N ATOM 630 CA LYS A 35 6.006 -0.971 10.261 1.00 0.00 C ATOM 631 C LYS A 35 4.663 -1.452 9.721 1.00 0.00 C ATOM 632 O LYS A 35 3.652 -1.416 10.422 1.00 0.00 O ATOM 633 CB LYS A 35 5.781 0.044 11.384 1.00 0.00 C ATOM 634 CG LYS A 35 6.913 0.091 12.397 1.00 0.00 C ATOM 635 CD LYS A 35 6.414 0.504 13.771 1.00 0.00 C ATOM 636 CE LYS A 35 7.545 0.535 14.788 1.00 0.00 C ATOM 637 NZ LYS A 35 7.897 -0.830 15.268 1.00 0.00 N ATOM 0 H LYS A 35 7.760 -0.752 9.133 1.00 0.00 H new ATOM 0 HA LYS A 35 6.547 -1.829 10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.654 1.035 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.852 -0.198 11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.387 -0.889 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.676 0.793 12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.951 1.489 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.643 -0.191 14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.423 1.000 14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.254 1.154 15.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.671 -0.766 15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.066 -1.265 15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.200 -1.414 14.462 1.00 0.00 H new ATOM 651 N ASN A 36 4.660 -1.904 8.471 1.00 0.00 N ATOM 652 CA ASN A 36 3.441 -2.394 7.837 1.00 0.00 C ATOM 653 C ASN A 36 2.447 -1.257 7.620 1.00 0.00 C ATOM 654 O ASN A 36 1.239 -1.482 7.541 1.00 0.00 O ATOM 655 CB ASN A 36 2.802 -3.489 8.693 1.00 0.00 C ATOM 656 CG ASN A 36 3.832 -4.319 9.434 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.928 -4.565 8.929 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.484 -4.756 10.638 1.00 0.00 N ATOM 0 H ASN A 36 5.488 -1.941 7.877 1.00 0.00 H new ATOM 0 HA ASN A 36 3.707 -2.811 6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.121 -3.033 9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.204 -4.141 8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.136 -5.320 11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.565 -4.528 11.017 1.00 0.00 H new ATOM 665 N TYR A 37 2.963 -0.037 7.524 1.00 0.00 N ATOM 666 CA TYR A 37 2.121 1.135 7.318 1.00 0.00 C ATOM 667 C TYR A 37 2.711 2.048 6.248 1.00 0.00 C ATOM 668 O TYR A 37 3.928 2.134 6.091 1.00 0.00 O ATOM 669 CB TYR A 37 1.956 1.907 8.628 1.00 0.00 C ATOM 670 CG TYR A 37 3.159 2.747 8.992 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.538 3.829 8.208 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.917 2.458 10.120 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.638 4.599 8.536 1.00 0.00 C ATOM 674 CE2 TYR A 37 5.017 3.223 10.457 1.00 0.00 C ATOM 675 CZ TYR A 37 5.373 4.292 9.662 1.00 0.00 C ATOM 676 OH TYR A 37 6.469 5.056 9.993 1.00 0.00 O ATOM 0 H TYR A 37 3.961 0.166 7.586 1.00 0.00 H new ATOM 0 HA TYR A 37 1.143 0.793 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.082 2.554 8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.760 1.200 9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.963 4.073 7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.642 1.621 10.744 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.920 5.436 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.595 2.985 11.338 1.00 0.00 H new ATOM 0 HH TYR A 37 6.875 4.707 10.814 1.00 0.00 H new ATOM 686 N GLY A 38 1.837 2.731 5.513 1.00 0.00 N ATOM 687 CA GLY A 38 2.289 3.629 4.467 1.00 0.00 C ATOM 688 C GLY A 38 1.712 5.023 4.611 1.00 0.00 C ATOM 689 O GLY A 38 0.547 5.186 4.976 1.00 0.00 O ATOM 0 H GLY A 38 0.824 2.678 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.377 3.686 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.008 3.221 3.496 1.00 0.00 H new ATOM 693 N PHE A 39 2.528 6.033 4.326 1.00 0.00 N ATOM 694 CA PHE A 39 2.092 7.421 4.429 1.00 0.00 C ATOM 695 C PHE A 39 2.037 8.076 3.052 1.00 0.00 C ATOM 696 O PHE A 39 3.048 8.169 2.355 1.00 0.00 O ATOM 697 CB PHE A 39 3.034 8.207 5.343 1.00 0.00 C ATOM 698 CG PHE A 39 2.887 7.857 6.797 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.635 7.792 7.384 1.00 0.00 C ATOM 700 CD2 PHE A 39 4.003 7.595 7.575 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.497 7.470 8.722 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.871 7.273 8.913 1.00 0.00 C ATOM 703 CZ PHE A 39 2.617 7.212 9.487 1.00 0.00 C ATOM 0 H PHE A 39 3.495 5.916 4.022 1.00 0.00 H new ATOM 0 HA PHE A 39 1.090 7.431 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.063 8.023 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.848 9.273 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.756 7.995 6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.987 7.643 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.515 7.420 9.168 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.748 7.069 9.509 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.512 6.963 10.533 1.00 0.00 H new ATOM 713 N VAL A 40 0.849 8.529 2.666 1.00 0.00 N ATOM 714 CA VAL A 40 0.660 9.177 1.373 1.00 0.00 C ATOM 715 C VAL A 40 0.116 10.591 1.541 1.00 0.00 C ATOM 716 O VAL A 40 -0.911 10.800 2.188 1.00 0.00 O ATOM 717 CB VAL A 40 -0.299 8.372 0.477 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.675 9.175 -0.760 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.325 7.041 0.089 1.00 0.00 C ATOM 0 H VAL A 40 0.002 8.459 3.230 1.00 0.00 H new ATOM 0 HA VAL A 40 1.639 9.222 0.896 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.210 8.169 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.353 8.590 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.166 10.100 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.225 9.411 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.367 6.486 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.252 7.219 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.538 6.463 0.988 1.00 0.00 H new ATOM 729 N HIS A 41 0.810 11.560 0.954 1.00 0.00 N ATOM 730 CA HIS A 41 0.396 12.956 1.037 1.00 0.00 C ATOM 731 C HIS A 41 -0.038 13.477 -0.330 1.00 0.00 C ATOM 732 O HIS A 41 0.792 13.710 -1.208 1.00 0.00 O ATOM 733 CB HIS A 41 1.535 13.817 1.585 1.00 0.00 C ATOM 734 CG HIS A 41 2.072 13.335 2.898 1.00 0.00 C ATOM 735 ND1 HIS A 41 2.461 14.186 3.910 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.282 12.081 3.361 1.00 0.00 C ATOM 737 CE1 HIS A 41 2.888 13.477 4.939 1.00 0.00 C ATOM 738 NE2 HIS A 41 2.790 12.196 4.632 1.00 0.00 N ATOM 0 H HIS A 41 1.662 11.404 0.415 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.454 13.016 1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.345 13.839 0.856 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.182 14.842 1.700 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.425 15.205 3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.087 11.161 2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.255 13.877 5.873 1.00 0.00 H new ATOM 746 N ILE A 42 -1.344 13.656 -0.502 1.00 0.00 N ATOM 747 CA ILE A 42 -1.887 14.149 -1.761 1.00 0.00 C ATOM 748 C ILE A 42 -1.636 15.645 -1.920 1.00 0.00 C ATOM 749 O ILE A 42 -1.311 16.335 -0.955 1.00 0.00 O ATOM 750 CB ILE A 42 -3.400 13.880 -1.865 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.850 13.931 -3.327 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.176 14.888 -1.031 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.161 13.221 -3.581 1.00 0.00 C ATOM 0 H ILE A 42 -2.045 13.467 0.215 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.375 13.610 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.604 12.882 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.945 14.973 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.077 13.484 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.244 14.685 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.872 14.807 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.969 15.895 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.418 13.298 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.065 12.171 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.947 13.682 -2.982 1.00 0.00 H new ATOM 765 N GLU A 43 -1.791 16.138 -3.145 1.00 0.00 N ATOM 766 CA GLU A 43 -1.582 17.553 -3.430 1.00 0.00 C ATOM 767 C GLU A 43 -2.808 18.374 -3.039 1.00 0.00 C ATOM 768 O GLU A 43 -2.689 19.422 -2.405 1.00 0.00 O ATOM 769 CB GLU A 43 -1.270 17.757 -4.914 1.00 0.00 C ATOM 770 CG GLU A 43 -2.498 18.051 -5.759 1.00 0.00 C ATOM 771 CD GLU A 43 -2.163 18.254 -7.224 1.00 0.00 C ATOM 772 OE1 GLU A 43 -1.018 18.654 -7.520 1.00 0.00 O ATOM 773 OE2 GLU A 43 -3.046 18.013 -8.074 1.00 0.00 O ATOM 0 H GLU A 43 -2.060 15.579 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.733 17.895 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.562 18.579 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.779 16.863 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.206 17.228 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.993 18.944 -5.376 1.00 0.00 H new ATOM 780 N ASP A 44 -3.983 17.889 -3.423 1.00 0.00 N ATOM 781 CA ASP A 44 -5.232 18.576 -3.113 1.00 0.00 C ATOM 782 C ASP A 44 -6.021 17.818 -2.050 1.00 0.00 C ATOM 783 O ASP A 44 -6.100 16.589 -2.079 1.00 0.00 O ATOM 784 CB ASP A 44 -6.078 18.737 -4.377 1.00 0.00 C ATOM 785 CG ASP A 44 -5.735 19.997 -5.147 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.933 20.804 -4.635 1.00 0.00 O ATOM 787 OD2 ASP A 44 -6.270 20.175 -6.261 1.00 0.00 O ATOM 0 H ASP A 44 -4.097 17.023 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.987 19.563 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.932 17.870 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.133 18.757 -4.104 1.00 0.00 H new ATOM 792 N LYS A 45 -6.602 18.557 -1.112 1.00 0.00 N ATOM 793 CA LYS A 45 -7.385 17.955 -0.039 1.00 0.00 C ATOM 794 C LYS A 45 -8.566 17.171 -0.602 1.00 0.00 C ATOM 795 O LYS A 45 -8.584 15.940 -0.561 1.00 0.00 O ATOM 796 CB LYS A 45 -7.888 19.036 0.921 1.00 0.00 C ATOM 797 CG LYS A 45 -8.770 18.498 2.034 1.00 0.00 C ATOM 798 CD LYS A 45 -9.415 19.622 2.828 1.00 0.00 C ATOM 799 CE LYS A 45 -10.746 20.039 2.222 1.00 0.00 C ATOM 800 NZ LYS A 45 -10.583 21.129 1.221 1.00 0.00 N ATOM 0 H LYS A 45 -6.546 19.575 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.740 17.265 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.031 19.546 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.446 19.782 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.545 17.860 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.175 17.875 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.568 19.300 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.743 20.480 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.215 19.177 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.417 20.371 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.386 21.786 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.698 21.643 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.550 20.721 0.265 1.00 0.00 H new ATOM 814 N THR A 46 -9.552 17.891 -1.129 1.00 0.00 N ATOM 815 CA THR A 46 -10.736 17.263 -1.700 1.00 0.00 C ATOM 816 C THR A 46 -10.361 16.058 -2.555 1.00 0.00 C ATOM 817 O THR A 46 -11.176 15.162 -2.772 1.00 0.00 O ATOM 818 CB THR A 46 -11.541 18.257 -2.558 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.511 19.557 -1.960 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.983 17.797 -2.711 1.00 0.00 C ATOM 0 H THR A 46 -9.553 18.910 -1.172 1.00 0.00 H new ATOM 0 HA THR A 46 -11.353 16.934 -0.864 1.00 0.00 H new ATOM 0 HB THR A 46 -11.084 18.302 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.024 20.183 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.531 18.515 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.004 16.820 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.448 17.726 -1.728 1.00 0.00 H new ATOM 828 N ALA A 47 -9.123 16.043 -3.037 1.00 0.00 N ATOM 829 CA ALA A 47 -8.640 14.946 -3.866 1.00 0.00 C ATOM 830 C ALA A 47 -8.451 13.676 -3.042 1.00 0.00 C ATOM 831 O ALA A 47 -8.805 12.582 -3.481 1.00 0.00 O ATOM 832 CB ALA A 47 -7.335 15.334 -4.547 1.00 0.00 C ATOM 0 H ALA A 47 -8.436 16.778 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.390 14.744 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.986 14.505 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.499 16.209 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.585 15.565 -3.791 1.00 0.00 H new ATOM 838 N ALA A 48 -7.891 13.830 -1.847 1.00 0.00 N ATOM 839 CA ALA A 48 -7.658 12.696 -0.962 1.00 0.00 C ATOM 840 C ALA A 48 -8.950 11.931 -0.696 1.00 0.00 C ATOM 841 O ALA A 48 -8.951 10.702 -0.629 1.00 0.00 O ATOM 842 CB ALA A 48 -7.042 13.167 0.348 1.00 0.00 C ATOM 0 H ALA A 48 -7.590 14.729 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.962 12.019 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.873 12.310 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.092 13.662 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.719 13.867 0.837 1.00 0.00 H new ATOM 848 N GLU A 49 -10.047 12.666 -0.545 1.00 0.00 N ATOM 849 CA GLU A 49 -11.345 12.055 -0.285 1.00 0.00 C ATOM 850 C GLU A 49 -11.666 10.993 -1.333 1.00 0.00 C ATOM 851 O GLU A 49 -11.801 9.812 -1.013 1.00 0.00 O ATOM 852 CB GLU A 49 -12.442 13.122 -0.273 1.00 0.00 C ATOM 853 CG GLU A 49 -12.557 13.861 1.050 1.00 0.00 C ATOM 854 CD GLU A 49 -13.954 14.396 1.300 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.925 13.758 0.842 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.076 15.453 1.953 1.00 0.00 O ATOM 0 H GLU A 49 -10.063 13.684 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.303 11.575 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.245 13.843 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.398 12.651 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.278 13.190 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.847 14.688 1.063 1.00 0.00 H new ATOM 863 N ASP A 50 -11.787 11.422 -2.584 1.00 0.00 N ATOM 864 CA ASP A 50 -12.092 10.508 -3.679 1.00 0.00 C ATOM 865 C ASP A 50 -11.346 9.189 -3.510 1.00 0.00 C ATOM 866 O ASP A 50 -11.939 8.114 -3.590 1.00 0.00 O ATOM 867 CB ASP A 50 -11.726 11.146 -5.020 1.00 0.00 C ATOM 868 CG ASP A 50 -12.587 10.634 -6.159 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.804 9.406 -6.233 1.00 0.00 O ATOM 870 OD2 ASP A 50 -13.044 11.461 -6.975 1.00 0.00 O ATOM 0 H ASP A 50 -11.679 12.396 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.163 10.304 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.833 12.228 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.678 10.944 -5.241 1.00 0.00 H new ATOM 875 N ALA A 51 -10.040 9.279 -3.276 1.00 0.00 N ATOM 876 CA ALA A 51 -9.213 8.092 -3.095 1.00 0.00 C ATOM 877 C ALA A 51 -9.637 7.312 -1.855 1.00 0.00 C ATOM 878 O ALA A 51 -10.066 6.161 -1.951 1.00 0.00 O ATOM 879 CB ALA A 51 -7.746 8.482 -2.999 1.00 0.00 C ATOM 0 H ALA A 51 -9.533 10.161 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.351 7.447 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.140 7.586 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.444 8.990 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.602 9.149 -2.149 1.00 0.00 H new ATOM 885 N ILE A 52 -9.515 7.944 -0.693 1.00 0.00 N ATOM 886 CA ILE A 52 -9.886 7.309 0.565 1.00 0.00 C ATOM 887 C ILE A 52 -11.135 6.449 0.399 1.00 0.00 C ATOM 888 O ILE A 52 -11.118 5.251 0.684 1.00 0.00 O ATOM 889 CB ILE A 52 -10.138 8.351 1.670 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.852 9.120 1.979 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.672 7.676 2.924 1.00 0.00 C ATOM 892 CD1 ILE A 52 -9.088 10.429 2.700 1.00 0.00 C ATOM 0 H ILE A 52 -9.162 8.896 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.048 6.677 0.858 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.887 9.060 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.200 8.492 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.324 9.318 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.845 8.426 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.609 7.170 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.945 6.948 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.132 10.919 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.714 11.076 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.588 10.237 3.649 1.00 0.00 H new ATOM 904 N ARG A 53 -12.215 7.067 -0.066 1.00 0.00 N ATOM 905 CA ARG A 53 -13.473 6.358 -0.271 1.00 0.00 C ATOM 906 C ARG A 53 -13.245 5.057 -1.035 1.00 0.00 C ATOM 907 O ARG A 53 -13.714 3.996 -0.627 1.00 0.00 O ATOM 908 CB ARG A 53 -14.463 7.242 -1.031 1.00 0.00 C ATOM 909 CG ARG A 53 -15.812 6.583 -1.266 1.00 0.00 C ATOM 910 CD ARG A 53 -16.880 7.609 -1.612 1.00 0.00 C ATOM 911 NE ARG A 53 -17.046 8.604 -0.556 1.00 0.00 N ATOM 912 CZ ARG A 53 -17.856 9.652 -0.654 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.571 9.840 -1.754 1.00 0.00 N ATOM 914 NH2 ARG A 53 -17.952 10.514 0.350 1.00 0.00 N ATOM 0 H ARG A 53 -12.245 8.057 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.889 6.117 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.612 8.167 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.029 7.515 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.728 5.857 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.110 6.033 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.614 8.110 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.829 7.101 -1.783 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.510 8.488 0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.500 9.179 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.192 10.646 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.403 10.372 1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.574 11.319 0.274 1.00 0.00 H new ATOM 928 N ASN A 54 -12.522 5.149 -2.147 1.00 0.00 N ATOM 929 CA ASN A 54 -12.233 3.979 -2.969 1.00 0.00 C ATOM 930 C ASN A 54 -11.106 3.151 -2.360 1.00 0.00 C ATOM 931 O ASN A 54 -11.334 2.056 -1.844 1.00 0.00 O ATOM 932 CB ASN A 54 -11.856 4.408 -4.388 1.00 0.00 C ATOM 933 CG ASN A 54 -13.046 4.931 -5.170 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.929 4.168 -5.562 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.076 6.239 -5.398 1.00 0.00 N ATOM 0 H ASN A 54 -12.126 6.021 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.131 3.363 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.089 5.181 -4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.421 3.560 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.853 6.649 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.322 6.834 -5.054 1.00 0.00 H new ATOM 942 N LEU A 55 -9.889 3.682 -2.422 1.00 0.00 N ATOM 943 CA LEU A 55 -8.725 2.993 -1.876 1.00 0.00 C ATOM 944 C LEU A 55 -9.097 2.205 -0.624 1.00 0.00 C ATOM 945 O LEU A 55 -8.898 0.991 -0.559 1.00 0.00 O ATOM 946 CB LEU A 55 -7.619 3.998 -1.551 1.00 0.00 C ATOM 947 CG LEU A 55 -7.049 4.775 -2.738 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.729 5.432 -2.362 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.867 3.858 -3.939 1.00 0.00 C ATOM 0 H LEU A 55 -9.683 4.587 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.361 2.293 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.007 4.714 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.802 3.464 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.757 5.558 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.338 5.980 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.889 6.121 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.013 4.666 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.460 4.429 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.179 3.053 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.831 3.435 -4.223 1.00 0.00 H new ATOM 961 N HIS A 56 -9.639 2.903 0.369 1.00 0.00 N ATOM 962 CA HIS A 56 -10.041 2.268 1.619 1.00 0.00 C ATOM 963 C HIS A 56 -10.683 0.910 1.357 1.00 0.00 C ATOM 964 O HIS A 56 -11.650 0.804 0.602 1.00 0.00 O ATOM 965 CB HIS A 56 -11.015 3.167 2.381 1.00 0.00 C ATOM 966 CG HIS A 56 -11.379 2.642 3.736 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.447 2.168 4.635 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.582 2.520 4.344 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.062 1.775 5.737 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.358 1.978 5.586 1.00 0.00 N ATOM 0 H HIS A 56 -9.810 3.908 0.332 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.148 2.116 2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.573 4.157 2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.923 3.287 1.791 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.540 2.797 3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.585 1.359 6.612 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -13.076 1.767 6.279 1.00 0.00 H new ATOM 978 N HIS A 57 -10.138 -0.128 1.984 1.00 0.00 N ATOM 979 CA HIS A 57 -10.658 -1.481 1.818 1.00 0.00 C ATOM 980 C HIS A 57 -10.529 -1.938 0.368 1.00 0.00 C ATOM 981 O HIS A 57 -11.397 -2.641 -0.151 1.00 0.00 O ATOM 982 CB HIS A 57 -12.121 -1.545 2.257 1.00 0.00 C ATOM 983 CG HIS A 57 -12.296 -1.679 3.738 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.328 -2.390 4.313 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.562 -1.189 4.764 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.223 -2.330 5.628 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.159 -1.607 5.928 1.00 0.00 N ATOM 0 H HIS A 57 -9.337 -0.058 2.611 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.069 -2.150 2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.633 -0.644 1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.603 -2.389 1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.672 -0.582 4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.893 -2.793 6.337 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.834 -1.394 6.871 1.00 0.00 H new ATOM 995 N TYR A 58 -9.442 -1.534 -0.280 1.00 0.00 N ATOM 996 CA TYR A 58 -9.201 -1.900 -1.671 1.00 0.00 C ATOM 997 C TYR A 58 -8.447 -3.222 -1.764 1.00 0.00 C ATOM 998 O TYR A 58 -7.516 -3.475 -0.999 1.00 0.00 O ATOM 999 CB TYR A 58 -8.412 -0.798 -2.381 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.803 -1.239 -3.693 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.692 -2.072 -3.720 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.340 -0.823 -4.905 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.131 -2.476 -4.916 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.787 -1.223 -6.106 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.683 -2.050 -6.106 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.129 -2.451 -7.300 1.00 0.00 O ATOM 0 H TYR A 58 -8.714 -0.953 0.136 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.167 -2.019 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.072 0.050 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.618 -0.448 -1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.259 -2.410 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.205 -0.176 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.265 -3.122 -4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.216 -0.890 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.637 -2.064 -8.043 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.855 -4.064 -2.709 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.218 -5.360 -2.906 1.00 0.00 C ATOM 1018 C LYS A 59 -6.849 -5.200 -3.559 1.00 0.00 C ATOM 1019 O LYS A 59 -6.747 -4.986 -4.768 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.104 -6.261 -3.769 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.763 -7.737 -3.659 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.700 -8.590 -4.496 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.388 -10.071 -4.347 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.342 -10.919 -5.114 1.00 0.00 N ATOM 0 H LYS A 59 -9.624 -3.871 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.083 -5.822 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.145 -6.115 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.015 -5.953 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.735 -7.899 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.821 -8.048 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.731 -8.402 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.616 -8.303 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.372 -10.265 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.425 -10.346 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.095 -11.921 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.309 -10.754 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.289 -10.675 -6.124 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.798 -5.307 -2.753 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.434 -5.176 -3.253 1.00 0.00 C ATOM 1040 C LEU A 60 -3.635 -6.449 -2.997 1.00 0.00 C ATOM 1041 O LEU A 60 -3.046 -6.621 -1.929 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.740 -3.983 -2.593 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.359 -3.622 -3.141 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.484 -2.946 -4.498 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.615 -2.725 -2.163 1.00 0.00 C ATOM 0 H LEU A 60 -5.864 -5.484 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.483 -5.010 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.387 -3.112 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.643 -4.189 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.787 -4.541 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.491 -2.696 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.976 -3.622 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.074 -2.035 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.634 -2.478 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.183 -1.808 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.494 -3.245 -1.213 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.617 -7.339 -3.984 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.887 -8.597 -3.867 1.00 0.00 C ATOM 1059 C HIS A 61 -3.594 -9.547 -2.905 1.00 0.00 C ATOM 1060 O HIS A 61 -2.960 -10.173 -2.057 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.458 -8.339 -3.388 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.785 -7.204 -4.097 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.871 -7.010 -5.459 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.013 -6.198 -3.624 1.00 0.00 C ATOM 1065 CE1 HIS A 61 -0.180 -5.936 -5.794 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.351 -5.424 -4.698 1.00 0.00 N ATOM 0 H HIS A 61 -4.099 -7.213 -4.874 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.854 -9.063 -4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.474 -8.130 -2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.868 -9.245 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.265 -6.034 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.068 -5.543 -6.794 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.936 -4.590 -4.656 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.913 -9.650 -3.044 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.684 -10.525 -2.180 1.00 0.00 C ATOM 1076 C GLY A 62 -5.694 -10.055 -0.739 1.00 0.00 C ATOM 1077 O GLY A 62 -5.735 -10.867 0.186 1.00 0.00 O ATOM 0 H GLY A 62 -5.461 -9.143 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.709 -10.582 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.271 -11.533 -2.227 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.653 -8.741 -0.546 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.657 -8.164 0.793 1.00 0.00 C ATOM 1083 C VAL A 63 -6.536 -6.920 0.854 1.00 0.00 C ATOM 1084 O VAL A 63 -6.634 -6.170 -0.115 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.233 -7.796 1.250 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.798 -6.476 0.631 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.160 -7.732 2.768 1.00 0.00 C ATOM 0 H VAL A 63 -5.617 -8.055 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.061 -8.923 1.463 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.549 -8.573 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.790 -6.232 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.809 -6.562 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.483 -5.686 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.147 -7.471 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.855 -6.977 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.426 -8.703 3.186 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.174 -6.709 2.001 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.046 -5.555 2.188 1.00 0.00 C ATOM 1099 C ASN A 64 -7.370 -4.497 3.056 1.00 0.00 C ATOM 1100 O ASN A 64 -7.598 -4.434 4.264 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.367 -5.987 2.827 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.187 -6.879 1.915 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.970 -8.089 1.854 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -11.134 -6.283 1.200 1.00 0.00 N ATOM 0 H ASN A 64 -7.104 -7.321 2.814 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.248 -5.121 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.161 -6.515 3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.949 -5.102 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.717 -6.832 0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.278 -5.277 1.283 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.539 -3.670 2.431 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.832 -2.615 3.145 1.00 0.00 C ATOM 1113 C ILE A 65 -6.808 -1.674 3.844 1.00 0.00 C ATOM 1114 O ILE A 65 -8.023 -1.840 3.746 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.937 -1.795 2.197 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.793 -1.046 1.173 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.936 -2.702 1.497 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.070 0.103 0.507 1.00 0.00 C ATOM 0 H ILE A 65 -6.339 -3.710 1.432 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.205 -3.105 3.891 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.384 -1.063 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.127 -1.747 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.686 -0.665 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.311 -2.108 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.309 -3.194 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.470 -3.455 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.737 0.588 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.760 0.825 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.192 -0.274 -0.016 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.267 -0.686 4.549 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.091 0.283 5.264 1.00 0.00 C ATOM 1132 C ASN A 66 -6.541 1.696 5.092 1.00 0.00 C ATOM 1133 O ASN A 66 -5.391 1.972 5.433 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.159 -0.073 6.750 1.00 0.00 C ATOM 1135 CG ASN A 66 -7.719 -1.462 6.987 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.877 -1.738 6.674 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -6.897 -2.344 7.543 1.00 0.00 N ATOM 0 H ASN A 66 -5.262 -0.535 4.641 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.096 0.250 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.160 -0.008 7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.779 0.659 7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.218 -3.295 7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.945 -2.071 7.786 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.372 2.587 4.561 1.00 0.00 N ATOM 1145 CA VAL A 67 -6.971 3.972 4.345 1.00 0.00 C ATOM 1146 C VAL A 67 -7.813 4.926 5.185 1.00 0.00 C ATOM 1147 O VAL A 67 -9.018 4.732 5.341 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.093 4.368 2.862 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.294 5.631 2.577 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.637 3.226 1.967 1.00 0.00 C ATOM 0 H VAL A 67 -8.327 2.374 4.272 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.927 4.049 4.649 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.141 4.574 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.393 5.894 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.672 6.447 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.244 5.457 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.730 3.523 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.596 2.986 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.258 2.349 2.151 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.169 5.957 5.725 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.861 6.940 6.550 1.00 0.00 C ATOM 1162 C GLU A 68 -7.049 8.229 6.655 1.00 0.00 C ATOM 1163 O GLU A 68 -5.819 8.203 6.643 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.122 6.374 7.947 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.928 5.645 8.541 1.00 0.00 C ATOM 1166 CD GLU A 68 -7.187 5.154 9.952 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.686 5.951 10.774 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -6.892 3.974 10.234 1.00 0.00 O ATOM 0 H GLU A 68 -6.171 6.132 5.606 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.815 7.168 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.407 7.189 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.969 5.689 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.673 4.796 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.065 6.311 8.545 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.748 9.355 6.756 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.094 10.653 6.865 1.00 0.00 C ATOM 1177 C ALA A 69 -6.465 10.837 8.241 1.00 0.00 C ATOM 1178 O ALA A 69 -7.158 10.825 9.258 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.088 11.770 6.583 1.00 0.00 C ATOM 0 H ALA A 69 -8.767 9.394 6.765 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.297 10.694 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.586 12.734 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.487 11.656 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.904 11.721 7.304 1.00 0.00 H new