USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 27:sc= 0.0524 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 150:sc= -0.247 (180deg=-1.88!) USER MOD Single : A 11 THR OG1 : rot 126:sc= -0.108 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -3.64! (180deg=-4.1!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot -5:sc= 0.569 USER MOD Single : A 27 SER OG : rot -51:sc= 0.679 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.336 F(o=-1.8,f=-0.34) USER MOD Single : A 38 ASN : amide:sc= -5.1! C(o=-5.1!,f=-17!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 40 GLN : amide:sc= -1.88 K(o=-1.9,f=-2.8) USER MOD Single : A 41 ASN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 42 MET CE :methyl -168:sc= -1.18 (180deg=-1.8) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 46 TYR OH : rot 180:sc= -1.58! USER MOD Single : A 47 GLN : amide:sc= -0.255 K(o=-0.26,f=-1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 2.401 5.740 -7.527 1.00 0.00 N ATOM 67 CA SER A 8 2.490 6.802 -6.532 1.00 0.00 C ATOM 68 C SER A 8 3.275 6.336 -5.309 1.00 0.00 C ATOM 69 O SER A 8 3.084 5.222 -4.820 1.00 0.00 O ATOM 70 CB SER A 8 1.091 7.255 -6.111 1.00 0.00 C ATOM 71 OG SER A 8 0.366 7.764 -7.217 1.00 0.00 O ATOM 0 HA SER A 8 3.016 7.644 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.550 6.416 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.170 8.021 -5.340 1.00 0.00 H new ATOM 0 HG SER A 8 0.695 7.350 -8.042 1.00 0.00 H new ATOM 77 N THR A 9 4.160 7.198 -4.818 1.00 0.00 N ATOM 78 CA THR A 9 4.976 6.876 -3.654 1.00 0.00 C ATOM 79 C THR A 9 4.446 7.570 -2.404 1.00 0.00 C ATOM 80 O THR A 9 4.049 8.733 -2.449 1.00 0.00 O ATOM 81 CB THR A 9 6.446 7.282 -3.868 1.00 0.00 C ATOM 82 OG1 THR A 9 6.910 6.792 -5.131 1.00 0.00 O ATOM 83 CG2 THR A 9 7.326 6.737 -2.753 1.00 0.00 C ATOM 0 H THR A 9 4.330 8.125 -5.209 1.00 0.00 H new ATOM 0 HA THR A 9 4.922 5.796 -3.519 1.00 0.00 H new ATOM 0 HB THR A 9 6.505 8.370 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.845 7.056 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.360 7.037 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.988 7.134 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.261 5.649 -2.737 1.00 0.00 H new ATOM 91 N MET A 10 4.444 6.847 -1.288 1.00 0.00 N ATOM 92 CA MET A 10 3.965 7.395 -0.024 1.00 0.00 C ATOM 93 C MET A 10 4.902 7.021 1.120 1.00 0.00 C ATOM 94 O MET A 10 5.486 5.937 1.130 1.00 0.00 O ATOM 95 CB MET A 10 2.552 6.889 0.272 1.00 0.00 C ATOM 96 CG MET A 10 1.563 7.154 -0.851 1.00 0.00 C ATOM 97 SD MET A 10 -0.145 6.853 -0.359 1.00 0.00 S ATOM 98 CE MET A 10 -0.657 8.504 0.113 1.00 0.00 C ATOM 0 H MET A 10 4.768 5.881 -1.234 1.00 0.00 H new ATOM 0 HA MET A 10 3.943 8.481 -0.112 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.592 5.817 0.464 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.189 7.363 1.184 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.665 8.187 -1.183 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.809 6.520 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.725 8.620 -0.071 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.452 8.660 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.106 9.238 -0.475 1.00 0.00 H new ATOM 108 N THR A 11 5.042 7.927 2.084 1.00 0.00 N ATOM 109 CA THR A 11 5.909 7.693 3.232 1.00 0.00 C ATOM 110 C THR A 11 5.093 7.423 4.491 1.00 0.00 C ATOM 111 O THR A 11 4.192 8.188 4.835 1.00 0.00 O ATOM 112 CB THR A 11 6.842 8.892 3.485 1.00 0.00 C ATOM 113 OG1 THR A 11 7.741 9.055 2.383 1.00 0.00 O ATOM 114 CG2 THR A 11 7.634 8.700 4.769 1.00 0.00 C ATOM 0 H THR A 11 4.566 8.829 2.092 1.00 0.00 H new ATOM 0 HA THR A 11 6.513 6.816 2.999 1.00 0.00 H new ATOM 0 HB THR A 11 6.228 9.787 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.684 9.974 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.286 9.559 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.947 8.607 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.238 7.796 4.692 1.00 0.00 H new ATOM 122 N VAL A 12 5.416 6.331 5.176 1.00 0.00 N ATOM 123 CA VAL A 12 4.713 5.961 6.400 1.00 0.00 C ATOM 124 C VAL A 12 4.808 7.068 7.444 1.00 0.00 C ATOM 125 O VAL A 12 5.889 7.361 7.955 1.00 0.00 O ATOM 126 CB VAL A 12 5.275 4.657 6.997 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.566 4.317 8.299 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.150 3.517 5.998 1.00 0.00 C ATOM 0 H VAL A 12 6.159 5.687 4.905 1.00 0.00 H new ATOM 0 HA VAL A 12 3.668 5.808 6.131 1.00 0.00 H new ATOM 0 HB VAL A 12 6.333 4.804 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.976 3.393 8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.713 5.126 9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.500 4.189 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.552 2.603 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.100 3.367 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.708 3.762 5.095 1.00 0.00 H new ATOM 138 N ILE A 13 3.670 7.679 7.755 1.00 0.00 N ATOM 139 CA ILE A 13 3.625 8.752 8.740 1.00 0.00 C ATOM 140 C ILE A 13 3.592 8.196 10.159 1.00 0.00 C ATOM 141 O ILE A 13 3.944 8.884 11.117 1.00 0.00 O ATOM 142 CB ILE A 13 2.398 9.660 8.528 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.111 8.835 8.585 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.505 10.392 7.199 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.140 9.650 8.340 1.00 0.00 C ATOM 0 H ILE A 13 2.767 7.449 7.339 1.00 0.00 H new ATOM 0 HA ILE A 13 4.532 9.342 8.605 1.00 0.00 H new ATOM 0 HB ILE A 13 2.369 10.400 9.327 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.167 8.038 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.038 8.357 9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.631 11.029 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.406 11.005 7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.555 9.667 6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.014 9.001 8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.220 10.431 9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.089 10.106 7.351 1.00 0.00 H new ATOM 157 N LYS A 14 3.167 6.943 10.288 1.00 0.00 N ATOM 158 CA LYS A 14 3.090 6.291 11.589 1.00 0.00 C ATOM 159 C LYS A 14 3.212 4.777 11.447 1.00 0.00 C ATOM 160 O LYS A 14 2.691 4.189 10.499 1.00 0.00 O ATOM 161 CB LYS A 14 1.773 6.644 12.283 1.00 0.00 C ATOM 162 CG LYS A 14 1.548 8.138 12.438 1.00 0.00 C ATOM 163 CD LYS A 14 0.143 8.444 12.927 1.00 0.00 C ATOM 164 CE LYS A 14 -0.829 8.605 11.768 1.00 0.00 C ATOM 165 NZ LYS A 14 -1.011 7.332 11.016 1.00 0.00 N ATOM 0 H LYS A 14 2.871 6.359 9.506 1.00 0.00 H new ATOM 0 HA LYS A 14 3.921 6.650 12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.947 6.218 11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.755 6.178 13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.275 8.545 13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.717 8.633 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.199 7.641 13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.155 9.357 13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.793 8.944 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.463 9.377 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.832 7.417 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.158 7.136 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.170 6.553 11.686 1.00 0.00 H new ATOM 179 N ASP A 15 3.901 4.152 12.395 1.00 0.00 N ATOM 180 CA ASP A 15 4.088 2.706 12.377 1.00 0.00 C ATOM 181 C ASP A 15 2.747 1.985 12.277 1.00 0.00 C ATOM 182 O ASP A 15 1.696 2.569 12.544 1.00 0.00 O ATOM 183 CB ASP A 15 4.834 2.250 13.632 1.00 0.00 C ATOM 184 CG ASP A 15 5.577 0.946 13.423 1.00 0.00 C ATOM 185 OD1 ASP A 15 4.919 -0.067 13.108 1.00 0.00 O ATOM 186 OD2 ASP A 15 6.817 0.938 13.575 1.00 0.00 O ATOM 0 H ASP A 15 4.339 4.624 13.186 1.00 0.00 H new ATOM 0 HA ASP A 15 4.682 2.453 11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.541 3.023 13.932 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.124 2.133 14.451 1.00 0.00 H new ATOM 191 N TYR A 16 2.791 0.715 11.892 1.00 0.00 N ATOM 192 CA TYR A 16 1.580 -0.085 11.753 1.00 0.00 C ATOM 193 C TYR A 16 1.903 -1.575 11.790 1.00 0.00 C ATOM 194 O TYR A 16 2.951 -2.007 11.307 1.00 0.00 O ATOM 195 CB TYR A 16 0.862 0.261 10.448 1.00 0.00 C ATOM 196 CG TYR A 16 -0.287 -0.668 10.124 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.518 -0.528 10.753 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.141 -1.684 9.188 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.569 -1.375 10.460 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.187 -2.535 8.889 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.399 -2.377 9.528 1.00 0.00 C ATOM 202 OH TYR A 16 -3.444 -3.222 9.232 1.00 0.00 O ATOM 0 H TYR A 16 3.653 0.217 11.670 1.00 0.00 H new ATOM 0 HA TYR A 16 0.925 0.146 12.593 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.486 1.282 10.510 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.581 0.235 9.629 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.655 0.256 11.483 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.807 -1.811 8.686 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.519 -1.253 10.958 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.057 -3.320 8.159 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.159 -3.870 8.555 1.00 0.00 H new ATOM 212 N TYR A 17 0.996 -2.357 12.364 1.00 0.00 N ATOM 213 CA TYR A 17 1.184 -3.799 12.466 1.00 0.00 C ATOM 214 C TYR A 17 0.251 -4.539 11.512 1.00 0.00 C ATOM 215 O TYR A 17 -0.938 -4.234 11.428 1.00 0.00 O ATOM 216 CB TYR A 17 0.938 -4.267 13.902 1.00 0.00 C ATOM 217 CG TYR A 17 1.445 -3.300 14.948 1.00 0.00 C ATOM 218 CD1 TYR A 17 2.805 -3.064 15.104 1.00 0.00 C ATOM 219 CD2 TYR A 17 0.563 -2.622 15.781 1.00 0.00 C ATOM 220 CE1 TYR A 17 3.273 -2.183 16.059 1.00 0.00 C ATOM 221 CE2 TYR A 17 1.022 -1.738 16.739 1.00 0.00 C ATOM 222 CZ TYR A 17 2.377 -1.522 16.874 1.00 0.00 C ATOM 223 OH TYR A 17 2.839 -0.642 17.826 1.00 0.00 O ATOM 0 H TYR A 17 0.123 -2.016 12.766 1.00 0.00 H new ATOM 0 HA TYR A 17 2.213 -4.026 12.188 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.131 -4.419 14.048 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.420 -5.233 14.048 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.509 -3.579 14.467 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.499 -2.789 15.678 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.334 -2.012 16.167 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.323 -1.219 17.378 1.00 0.00 H new ATOM 0 HH TYR A 17 2.080 -0.260 18.314 1.00 0.00 H new ATOM 233 N ALA A 18 0.801 -5.513 10.794 1.00 0.00 N ATOM 234 CA ALA A 18 0.019 -6.298 9.847 1.00 0.00 C ATOM 235 C ALA A 18 -0.935 -7.241 10.573 1.00 0.00 C ATOM 236 O ALA A 18 -0.510 -8.223 11.183 1.00 0.00 O ATOM 237 CB ALA A 18 0.941 -7.084 8.926 1.00 0.00 C ATOM 0 H ALA A 18 1.785 -5.777 10.850 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.577 -5.611 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.344 -7.666 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.579 -6.394 8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.561 -7.756 9.519 1.00 0.00 H new ATOM 243 N LEU A 19 -2.226 -6.936 10.503 1.00 0.00 N ATOM 244 CA LEU A 19 -3.242 -7.756 11.154 1.00 0.00 C ATOM 245 C LEU A 19 -3.633 -8.939 10.274 1.00 0.00 C ATOM 246 O LEU A 19 -3.952 -10.019 10.772 1.00 0.00 O ATOM 247 CB LEU A 19 -4.478 -6.914 11.473 1.00 0.00 C ATOM 248 CG LEU A 19 -4.479 -6.211 12.831 1.00 0.00 C ATOM 249 CD1 LEU A 19 -3.372 -5.170 12.894 1.00 0.00 C ATOM 250 CD2 LEU A 19 -5.832 -5.570 13.100 1.00 0.00 C ATOM 0 H LEU A 19 -2.594 -6.127 10.002 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.822 -8.141 12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.589 -6.159 10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.356 -7.558 11.419 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.293 -6.957 13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.388 -4.680 13.868 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.407 -5.656 12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.526 -4.427 12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.813 -5.075 14.071 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.048 -4.837 12.323 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.605 -6.338 13.100 1.00 0.00 H new ATOM 262 N LYS A 20 -3.604 -8.729 8.962 1.00 0.00 N ATOM 263 CA LYS A 20 -3.952 -9.778 8.011 1.00 0.00 C ATOM 264 C LYS A 20 -2.705 -10.523 7.542 1.00 0.00 C ATOM 265 O LYS A 20 -1.588 -10.187 7.934 1.00 0.00 O ATOM 266 CB LYS A 20 -4.685 -9.182 6.807 1.00 0.00 C ATOM 267 CG LYS A 20 -6.066 -8.645 7.142 1.00 0.00 C ATOM 268 CD LYS A 20 -6.966 -8.621 5.918 1.00 0.00 C ATOM 269 CE LYS A 20 -8.257 -7.864 6.190 1.00 0.00 C ATOM 270 NZ LYS A 20 -9.227 -7.999 5.068 1.00 0.00 N ATOM 0 H LYS A 20 -3.343 -7.841 8.533 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.610 -10.486 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.083 -8.376 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.778 -9.945 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.520 -9.263 7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.977 -7.638 7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.438 -8.155 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.199 -9.642 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.710 -8.237 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.033 -6.810 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.093 -7.469 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.805 -7.620 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.461 -9.003 4.931 1.00 0.00 H new ATOM 284 N GLU A 21 -2.906 -11.532 6.701 1.00 0.00 N ATOM 285 CA GLU A 21 -1.797 -12.322 6.179 1.00 0.00 C ATOM 286 C GLU A 21 -1.086 -11.583 5.049 1.00 0.00 C ATOM 287 O GLU A 21 0.141 -11.580 4.970 1.00 0.00 O ATOM 288 CB GLU A 21 -2.299 -13.679 5.680 1.00 0.00 C ATOM 289 CG GLU A 21 -1.278 -14.796 5.823 1.00 0.00 C ATOM 290 CD GLU A 21 -1.441 -15.874 4.769 1.00 0.00 C ATOM 291 OE1 GLU A 21 -1.618 -15.522 3.584 1.00 0.00 O ATOM 292 OE2 GLU A 21 -1.392 -17.068 5.129 1.00 0.00 O ATOM 0 H GLU A 21 -3.825 -11.822 6.367 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.085 -12.481 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.200 -13.949 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.582 -13.589 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.274 -14.376 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.371 -15.244 6.813 1.00 0.00 H new ATOM 299 N ASN A 22 -1.869 -10.958 4.175 1.00 0.00 N ATOM 300 CA ASN A 22 -1.316 -10.216 3.048 1.00 0.00 C ATOM 301 C ASN A 22 -0.641 -8.932 3.521 1.00 0.00 C ATOM 302 O ASN A 22 0.460 -8.600 3.082 1.00 0.00 O ATOM 303 CB ASN A 22 -2.417 -9.885 2.038 1.00 0.00 C ATOM 304 CG ASN A 22 -2.588 -10.971 0.993 1.00 0.00 C ATOM 305 OD1 ASN A 22 -2.800 -12.138 1.324 1.00 0.00 O ATOM 306 ND2 ASN A 22 -2.495 -10.590 -0.276 1.00 0.00 N ATOM 0 H ASN A 22 -2.888 -10.951 4.226 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.566 -10.843 2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.360 -9.741 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.181 -8.943 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.600 -11.276 -1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.318 -9.611 -0.503 1.00 0.00 H new ATOM 313 N GLU A 23 -1.310 -8.214 4.418 1.00 0.00 N ATOM 314 CA GLU A 23 -0.775 -6.966 4.950 1.00 0.00 C ATOM 315 C GLU A 23 0.651 -7.158 5.458 1.00 0.00 C ATOM 316 O GLU A 23 1.072 -8.279 5.748 1.00 0.00 O ATOM 317 CB GLU A 23 -1.664 -6.444 6.080 1.00 0.00 C ATOM 318 CG GLU A 23 -2.984 -5.865 5.598 1.00 0.00 C ATOM 319 CD GLU A 23 -4.093 -6.010 6.621 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.779 -6.170 7.819 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.276 -5.964 6.223 1.00 0.00 O ATOM 0 H GLU A 23 -2.223 -8.475 4.791 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.760 -6.234 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.867 -7.257 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.121 -5.678 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.849 -4.810 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.279 -6.363 4.675 1.00 0.00 H new ATOM 328 N ILE A 24 1.389 -6.058 5.562 1.00 0.00 N ATOM 329 CA ILE A 24 2.767 -6.105 6.035 1.00 0.00 C ATOM 330 C ILE A 24 3.033 -5.011 7.063 1.00 0.00 C ATOM 331 O ILE A 24 2.393 -3.959 7.044 1.00 0.00 O ATOM 332 CB ILE A 24 3.767 -5.956 4.873 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.588 -4.600 4.189 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.587 -7.088 3.872 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.582 -4.349 3.076 1.00 0.00 C ATOM 0 H ILE A 24 1.056 -5.124 5.325 1.00 0.00 H new ATOM 0 HA ILE A 24 2.907 -7.080 6.501 1.00 0.00 H new ATOM 0 HB ILE A 24 4.779 -6.009 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.578 -4.537 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.683 -3.811 4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.300 -6.969 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.759 -8.043 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.573 -7.063 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.396 -3.369 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.594 -4.380 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.473 -5.117 2.310 1.00 0.00 H new ATOM 347 N CYS A 25 3.982 -5.265 7.956 1.00 0.00 N ATOM 348 CA CYS A 25 4.335 -4.300 8.992 1.00 0.00 C ATOM 349 C CYS A 25 5.208 -3.186 8.424 1.00 0.00 C ATOM 350 O CYS A 25 6.013 -3.414 7.520 1.00 0.00 O ATOM 351 CB CYS A 25 5.062 -4.998 10.143 1.00 0.00 C ATOM 352 SG CYS A 25 4.879 -4.173 11.741 1.00 0.00 S ATOM 0 H CYS A 25 4.521 -6.130 7.984 1.00 0.00 H new ATOM 0 HA CYS A 25 3.413 -3.857 9.370 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.689 -6.019 10.228 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.123 -5.066 9.901 1.00 0.00 H new ATOM 0 HG CYS A 25 4.224 -3.061 11.583 1.00 0.00 H new ATOM 358 N VAL A 26 5.043 -1.981 8.959 1.00 0.00 N ATOM 359 CA VAL A 26 5.816 -0.831 8.505 1.00 0.00 C ATOM 360 C VAL A 26 6.209 0.064 9.675 1.00 0.00 C ATOM 361 O VAL A 26 5.646 -0.039 10.765 1.00 0.00 O ATOM 362 CB VAL A 26 5.029 0.004 7.477 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.733 -0.821 6.233 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.743 0.534 8.093 1.00 0.00 C ATOM 0 H VAL A 26 4.381 -1.775 9.707 1.00 0.00 H new ATOM 0 HA VAL A 26 6.717 -1.222 8.032 1.00 0.00 H new ATOM 0 HB VAL A 26 5.642 0.856 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.177 -0.215 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.670 -1.147 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.140 -1.694 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.200 1.121 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.124 -0.302 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.983 1.163 8.950 1.00 0.00 H new ATOM 374 N SER A 27 7.179 0.942 9.441 1.00 0.00 N ATOM 375 CA SER A 27 7.651 1.854 10.477 1.00 0.00 C ATOM 376 C SER A 27 7.724 3.283 9.950 1.00 0.00 C ATOM 377 O SER A 27 8.226 3.526 8.853 1.00 0.00 O ATOM 378 CB SER A 27 9.025 1.414 10.986 1.00 0.00 C ATOM 379 OG SER A 27 8.933 0.211 11.728 1.00 0.00 O ATOM 0 H SER A 27 7.653 1.041 8.544 1.00 0.00 H new ATOM 0 HA SER A 27 6.940 1.826 11.303 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.701 1.274 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.453 2.198 11.610 1.00 0.00 H new ATOM 0 HG SER A 27 8.240 0.302 12.414 1.00 0.00 H new ATOM 385 N GLN A 28 7.220 4.225 10.741 1.00 0.00 N ATOM 386 CA GLN A 28 7.228 5.631 10.354 1.00 0.00 C ATOM 387 C GLN A 28 8.550 6.007 9.693 1.00 0.00 C ATOM 388 O GLN A 28 9.622 5.770 10.248 1.00 0.00 O ATOM 389 CB GLN A 28 6.984 6.519 11.576 1.00 0.00 C ATOM 390 CG GLN A 28 7.175 8.002 11.298 1.00 0.00 C ATOM 391 CD GLN A 28 6.991 8.856 12.537 1.00 0.00 C ATOM 392 OE1 GLN A 28 6.581 8.364 13.588 1.00 0.00 O ATOM 393 NE2 GLN A 28 7.295 10.143 12.419 1.00 0.00 N ATOM 0 H GLN A 28 6.801 4.040 11.653 1.00 0.00 H new ATOM 0 HA GLN A 28 6.426 5.788 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.969 6.353 11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.661 6.217 12.375 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.174 8.166 10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.465 8.319 10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.632 10.508 11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.192 10.767 13.219 1.00 0.00 H new ATOM 402 N GLY A 29 8.466 6.594 8.503 1.00 0.00 N ATOM 403 CA GLY A 29 9.663 6.993 7.786 1.00 0.00 C ATOM 404 C GLY A 29 9.839 6.233 6.486 1.00 0.00 C ATOM 405 O GLY A 29 10.158 6.823 5.454 1.00 0.00 O ATOM 0 H GLY A 29 7.590 6.800 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.618 8.062 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.534 6.829 8.420 1.00 0.00 H new ATOM 409 N GLU A 30 9.634 4.921 6.537 1.00 0.00 N ATOM 410 CA GLU A 30 9.776 4.080 5.353 1.00 0.00 C ATOM 411 C GLU A 30 9.048 4.694 4.160 1.00 0.00 C ATOM 412 O GLU A 30 8.190 5.561 4.321 1.00 0.00 O ATOM 413 CB GLU A 30 9.232 2.677 5.630 1.00 0.00 C ATOM 414 CG GLU A 30 10.236 1.758 6.305 1.00 0.00 C ATOM 415 CD GLU A 30 11.579 1.743 5.601 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.602 1.541 4.369 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.608 1.933 6.284 1.00 0.00 O ATOM 0 H GLU A 30 9.369 4.417 7.384 1.00 0.00 H new ATOM 0 HA GLU A 30 10.837 4.010 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.346 2.758 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.915 2.227 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.375 2.075 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.834 0.745 6.334 1.00 0.00 H new ATOM 424 N VAL A 31 9.399 4.237 2.962 1.00 0.00 N ATOM 425 CA VAL A 31 8.780 4.739 1.741 1.00 0.00 C ATOM 426 C VAL A 31 8.409 3.596 0.803 1.00 0.00 C ATOM 427 O VAL A 31 9.277 2.974 0.191 1.00 0.00 O ATOM 428 CB VAL A 31 9.713 5.715 1.000 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.012 6.305 -0.214 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.188 6.814 1.938 1.00 0.00 C ATOM 0 H VAL A 31 10.109 3.520 2.811 1.00 0.00 H new ATOM 0 HA VAL A 31 7.875 5.268 2.039 1.00 0.00 H new ATOM 0 HB VAL A 31 10.586 5.163 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.686 6.992 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.727 5.503 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.120 6.843 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.846 7.494 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.328 7.366 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.731 6.371 2.773 1.00 0.00 H new ATOM 440 N VAL A 32 7.112 3.324 0.694 1.00 0.00 N ATOM 441 CA VAL A 32 6.625 2.257 -0.171 1.00 0.00 C ATOM 442 C VAL A 32 6.010 2.821 -1.447 1.00 0.00 C ATOM 443 O VAL A 32 5.888 4.036 -1.603 1.00 0.00 O ATOM 444 CB VAL A 32 5.578 1.386 0.548 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.227 0.586 1.668 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.446 2.248 1.085 1.00 0.00 C ATOM 0 H VAL A 32 6.380 3.828 1.194 1.00 0.00 H new ATOM 0 HA VAL A 32 7.486 1.640 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 32 5.159 0.684 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.472 -0.023 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.000 -0.061 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.675 1.268 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.715 1.616 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.846 2.975 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.964 2.771 0.259 1.00 0.00 H new ATOM 456 N GLN A 33 5.625 1.931 -2.356 1.00 0.00 N ATOM 457 CA GLN A 33 5.023 2.341 -3.619 1.00 0.00 C ATOM 458 C GLN A 33 3.625 1.751 -3.772 1.00 0.00 C ATOM 459 O GLN A 33 3.442 0.535 -3.706 1.00 0.00 O ATOM 460 CB GLN A 33 5.904 1.909 -4.792 1.00 0.00 C ATOM 461 CG GLN A 33 7.127 2.788 -4.991 1.00 0.00 C ATOM 462 CD GLN A 33 8.325 2.312 -4.193 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.496 2.861 -2.996 1.00 0.00 O flip ATOM 464 NE2 GLN A 33 9.089 1.460 -4.647 1.00 0.00 N flip ATOM 0 H GLN A 33 5.719 0.922 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 33 4.940 3.428 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.228 0.881 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.309 1.917 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.386 2.809 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.886 3.811 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.920 1.064 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.891 1.150 -4.098 1.00 0.00 H new ATOM 473 N VAL A 34 2.640 2.620 -3.977 1.00 0.00 N ATOM 474 CA VAL A 34 1.258 2.185 -4.141 1.00 0.00 C ATOM 475 C VAL A 34 1.060 1.475 -5.475 1.00 0.00 C ATOM 476 O VAL A 34 1.653 1.854 -6.487 1.00 0.00 O ATOM 477 CB VAL A 34 0.282 3.373 -4.053 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.154 2.897 -4.214 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.462 4.115 -2.738 1.00 0.00 C ATOM 0 H VAL A 34 2.774 3.630 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 34 1.046 1.490 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 34 0.504 4.064 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.830 3.750 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.271 2.415 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.392 2.185 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.236 4.951 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.268 3.436 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.483 4.490 -2.669 1.00 0.00 H new ATOM 489 N LEU A 35 0.222 0.445 -5.472 1.00 0.00 N ATOM 490 CA LEU A 35 -0.056 -0.319 -6.684 1.00 0.00 C ATOM 491 C LEU A 35 -1.545 -0.292 -7.014 1.00 0.00 C ATOM 492 O LEU A 35 -1.930 -0.209 -8.180 1.00 0.00 O ATOM 493 CB LEU A 35 0.416 -1.765 -6.518 1.00 0.00 C ATOM 494 CG LEU A 35 1.905 -1.956 -6.228 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.192 -3.398 -5.839 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.739 -1.551 -7.434 1.00 0.00 C ATOM 0 H LEU A 35 -0.277 0.119 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 35 0.488 0.142 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.153 -2.221 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.170 -2.313 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 35 2.178 -1.314 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.257 -3.515 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.622 -3.654 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.903 -4.060 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.796 -1.693 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.464 -2.167 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.556 -0.502 -7.667 1.00 0.00 H new ATOM 508 N ALA A 36 -2.377 -0.362 -5.980 1.00 0.00 N ATOM 509 CA ALA A 36 -3.823 -0.342 -6.161 1.00 0.00 C ATOM 510 C ALA A 36 -4.543 -0.289 -4.818 1.00 0.00 C ATOM 511 O ALA A 36 -3.909 -0.263 -3.763 1.00 0.00 O ATOM 512 CB ALA A 36 -4.273 -1.559 -6.956 1.00 0.00 C ATOM 0 H ALA A 36 -2.074 -0.433 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.082 0.558 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.355 -1.531 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.792 -1.553 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.994 -2.467 -6.421 1.00 0.00 H new ATOM 518 N VAL A 37 -5.872 -0.272 -4.864 1.00 0.00 N ATOM 519 CA VAL A 37 -6.678 -0.222 -3.651 1.00 0.00 C ATOM 520 C VAL A 37 -7.783 -1.272 -3.682 1.00 0.00 C ATOM 521 O VAL A 37 -8.342 -1.568 -4.737 1.00 0.00 O ATOM 522 CB VAL A 37 -7.311 1.168 -3.454 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.279 1.153 -2.281 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.232 2.221 -3.252 1.00 0.00 C ATOM 0 H VAL A 37 -6.412 -0.292 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.007 -0.429 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.872 1.423 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.716 2.144 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.071 0.428 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.745 0.876 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.697 3.197 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.642 1.973 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.582 2.249 -4.127 1.00 0.00 H new ATOM 534 N ASN A 38 -8.094 -1.831 -2.517 1.00 0.00 N ATOM 535 CA ASN A 38 -9.133 -2.849 -2.411 1.00 0.00 C ATOM 536 C ASN A 38 -10.416 -2.258 -1.834 1.00 0.00 C ATOM 537 O ASN A 38 -10.465 -1.079 -1.484 1.00 0.00 O ATOM 538 CB ASN A 38 -8.653 -4.008 -1.535 1.00 0.00 C ATOM 539 CG ASN A 38 -8.605 -3.640 -0.064 1.00 0.00 C ATOM 540 OD1 ASN A 38 -9.040 -2.558 0.331 1.00 0.00 O ATOM 541 ND2 ASN A 38 -8.073 -4.541 0.754 1.00 0.00 N ATOM 0 H ASN A 38 -7.642 -1.596 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.344 -3.223 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.316 -4.862 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.661 -4.320 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.012 -4.349 1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.725 -5.425 0.382 1.00 0.00 H new ATOM 548 N GLN A 39 -11.451 -3.086 -1.737 1.00 0.00 N ATOM 549 CA GLN A 39 -12.734 -2.645 -1.203 1.00 0.00 C ATOM 550 C GLN A 39 -12.689 -2.558 0.319 1.00 0.00 C ATOM 551 O GLN A 39 -13.668 -2.172 0.957 1.00 0.00 O ATOM 552 CB GLN A 39 -13.847 -3.600 -1.638 1.00 0.00 C ATOM 553 CG GLN A 39 -15.246 -3.057 -1.392 1.00 0.00 C ATOM 554 CD GLN A 39 -16.305 -3.790 -2.191 1.00 0.00 C ATOM 555 OE1 GLN A 39 -16.189 -4.989 -2.445 1.00 0.00 O ATOM 556 NE2 GLN A 39 -17.347 -3.071 -2.591 1.00 0.00 N ATOM 0 H GLN A 39 -11.426 -4.065 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.942 -1.651 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.733 -3.818 -2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.734 -4.544 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.480 -3.133 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.271 -1.998 -1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.402 -2.080 -2.358 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.092 -3.510 -3.131 1.00 0.00 H new ATOM 565 N GLN A 40 -11.547 -2.920 0.894 1.00 0.00 N ATOM 566 CA GLN A 40 -11.375 -2.883 2.341 1.00 0.00 C ATOM 567 C GLN A 40 -10.684 -1.595 2.775 1.00 0.00 C ATOM 568 O GLN A 40 -10.151 -1.507 3.880 1.00 0.00 O ATOM 569 CB GLN A 40 -10.566 -4.093 2.811 1.00 0.00 C ATOM 570 CG GLN A 40 -10.928 -4.561 4.211 1.00 0.00 C ATOM 571 CD GLN A 40 -10.191 -3.794 5.292 1.00 0.00 C ATOM 572 OE1 GLN A 40 -8.961 -3.804 5.347 1.00 0.00 O ATOM 573 NE2 GLN A 40 -10.941 -3.123 6.158 1.00 0.00 N ATOM 0 H GLN A 40 -10.727 -3.242 0.380 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.363 -2.915 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.718 -4.915 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.505 -3.843 2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.002 -4.450 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.701 -5.623 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.957 -3.143 6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.501 -2.588 6.906 1.00 0.00 H new ATOM 582 N ASN A 41 -10.698 -0.597 1.897 1.00 0.00 N ATOM 583 CA ASN A 41 -10.071 0.687 2.190 1.00 0.00 C ATOM 584 C ASN A 41 -8.567 0.525 2.389 1.00 0.00 C ATOM 585 O ASN A 41 -7.950 1.261 3.158 1.00 0.00 O ATOM 586 CB ASN A 41 -10.698 1.311 3.438 1.00 0.00 C ATOM 587 CG ASN A 41 -12.153 1.683 3.230 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.029 1.254 3.982 1.00 0.00 O ATOM 589 ND2 ASN A 41 -12.418 2.485 2.205 1.00 0.00 N ATOM 0 H ASN A 41 -11.136 -0.653 0.978 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.238 1.347 1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.620 0.610 4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.135 2.201 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.379 2.769 2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.661 2.817 1.608 1.00 0.00 H new ATOM 596 N MET A 42 -7.984 -0.442 1.689 1.00 0.00 N ATOM 597 CA MET A 42 -6.551 -0.699 1.788 1.00 0.00 C ATOM 598 C MET A 42 -5.840 -0.313 0.495 1.00 0.00 C ATOM 599 O MET A 42 -6.339 -0.572 -0.601 1.00 0.00 O ATOM 600 CB MET A 42 -6.297 -2.174 2.102 1.00 0.00 C ATOM 601 CG MET A 42 -7.001 -2.658 3.359 1.00 0.00 C ATOM 602 SD MET A 42 -6.196 -2.090 4.869 1.00 0.00 S ATOM 603 CE MET A 42 -4.586 -2.858 4.704 1.00 0.00 C ATOM 0 H MET A 42 -8.480 -1.060 1.047 1.00 0.00 H new ATOM 0 HA MET A 42 -6.152 -0.088 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.625 -2.779 1.256 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.224 -2.334 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.034 -2.309 3.349 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.032 -3.748 3.356 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.048 -2.781 5.649 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.709 -3.909 4.441 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.020 -2.352 3.922 1.00 0.00 H new ATOM 613 N CYS A 43 -4.673 0.308 0.630 1.00 0.00 N ATOM 614 CA CYS A 43 -3.894 0.731 -0.528 1.00 0.00 C ATOM 615 C CYS A 43 -2.676 -0.167 -0.721 1.00 0.00 C ATOM 616 O CYS A 43 -1.668 -0.022 -0.028 1.00 0.00 O ATOM 617 CB CYS A 43 -3.449 2.186 -0.365 1.00 0.00 C ATOM 618 SG CYS A 43 -4.810 3.376 -0.345 1.00 0.00 S ATOM 0 H CYS A 43 -4.246 0.529 1.529 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.527 0.649 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.884 2.280 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.770 2.440 -1.179 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.334 4.577 -0.201 1.00 0.00 H new ATOM 624 N LEU A 44 -2.776 -1.095 -1.666 1.00 0.00 N ATOM 625 CA LEU A 44 -1.684 -2.019 -1.950 1.00 0.00 C ATOM 626 C LEU A 44 -0.368 -1.268 -2.128 1.00 0.00 C ATOM 627 O LEU A 44 -0.281 -0.323 -2.912 1.00 0.00 O ATOM 628 CB LEU A 44 -1.993 -2.834 -3.206 1.00 0.00 C ATOM 629 CG LEU A 44 -0.871 -3.744 -3.709 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.499 -4.768 -2.649 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.284 -4.436 -5.000 1.00 0.00 C ATOM 0 H LEU A 44 -3.603 -1.228 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.583 -2.696 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.871 -3.449 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.260 -2.144 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 44 0.005 -3.129 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.301 -5.406 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.161 -4.254 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.370 -5.379 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.474 -5.079 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.175 -5.038 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.500 -3.687 -5.762 1.00 0.00 H new ATOM 643 N VAL A 45 0.655 -1.696 -1.395 1.00 0.00 N ATOM 644 CA VAL A 45 1.968 -1.066 -1.474 1.00 0.00 C ATOM 645 C VAL A 45 3.079 -2.110 -1.470 1.00 0.00 C ATOM 646 O VAL A 45 2.951 -3.166 -0.850 1.00 0.00 O ATOM 647 CB VAL A 45 2.193 -0.088 -0.306 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.341 1.160 -0.482 1.00 0.00 C ATOM 649 CG2 VAL A 45 1.890 -0.766 1.022 1.00 0.00 C ATOM 0 H VAL A 45 0.600 -2.476 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 45 1.997 -0.512 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 45 3.241 0.213 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.514 1.839 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.610 1.656 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.288 0.880 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.054 -0.061 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.852 -1.097 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.547 -1.627 1.149 1.00 0.00 H new ATOM 659 N TYR A 46 4.170 -1.807 -2.164 1.00 0.00 N ATOM 660 CA TYR A 46 5.304 -2.720 -2.243 1.00 0.00 C ATOM 661 C TYR A 46 6.440 -2.258 -1.335 1.00 0.00 C ATOM 662 O TYR A 46 6.999 -1.178 -1.524 1.00 0.00 O ATOM 663 CB TYR A 46 5.801 -2.827 -3.685 1.00 0.00 C ATOM 664 CG TYR A 46 7.025 -3.702 -3.841 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.282 -3.246 -3.466 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.922 -4.986 -4.362 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.402 -4.042 -3.607 1.00 0.00 C ATOM 668 CE2 TYR A 46 8.037 -5.790 -4.506 1.00 0.00 C ATOM 669 CZ TYR A 46 9.275 -5.313 -4.127 1.00 0.00 C ATOM 670 OH TYR A 46 10.388 -6.109 -4.268 1.00 0.00 O ATOM 0 H TYR A 46 4.293 -0.936 -2.680 1.00 0.00 H new ATOM 0 HA TYR A 46 4.971 -3.702 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.999 -3.224 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.029 -1.828 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.386 -2.252 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.954 -5.362 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.372 -3.671 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.940 -6.786 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 46 10.126 -6.974 -4.648 1.00 0.00 H new ATOM 680 N GLN A 47 6.774 -3.084 -0.349 1.00 0.00 N ATOM 681 CA GLN A 47 7.843 -2.760 0.589 1.00 0.00 C ATOM 682 C GLN A 47 9.164 -3.377 0.143 1.00 0.00 C ATOM 683 O GLN A 47 9.365 -4.590 0.209 1.00 0.00 O ATOM 684 CB GLN A 47 7.485 -3.252 1.993 1.00 0.00 C ATOM 685 CG GLN A 47 8.675 -3.317 2.936 1.00 0.00 C ATOM 686 CD GLN A 47 8.261 -3.377 4.394 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.584 -4.313 4.821 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.667 -2.376 5.166 1.00 0.00 N ATOM 0 H GLN A 47 6.321 -3.982 -0.179 1.00 0.00 H new ATOM 0 HA GLN A 47 7.958 -1.676 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.730 -2.591 2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.036 -4.243 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.276 -4.194 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.308 -2.444 2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.227 -1.621 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.419 -2.362 6.155 1.00 0.00 H new ATOM 697 N PRO A 48 10.088 -2.524 -0.323 1.00 0.00 N ATOM 698 CA PRO A 48 11.407 -2.962 -0.790 1.00 0.00 C ATOM 699 C PRO A 48 12.292 -3.451 0.351 1.00 0.00 C ATOM 700 O PRO A 48 11.981 -3.244 1.524 1.00 0.00 O ATOM 701 CB PRO A 48 11.998 -1.700 -1.422 1.00 0.00 C ATOM 702 CG PRO A 48 11.305 -0.573 -0.736 1.00 0.00 C ATOM 703 CD PRO A 48 9.917 -1.065 -0.431 1.00 0.00 C ATOM 0 HA PRO A 48 11.336 -3.805 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.077 -1.651 -1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.823 -1.677 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.829 -0.291 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.275 0.312 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.533 -0.636 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.214 -0.800 -1.221 1.00 0.00 H new ATOM 711 N ALA A 49 13.397 -4.101 0.000 1.00 0.00 N ATOM 712 CA ALA A 49 14.329 -4.617 0.996 1.00 0.00 C ATOM 713 C ALA A 49 14.495 -3.637 2.152 1.00 0.00 C ATOM 714 O ALA A 49 14.842 -2.474 1.948 1.00 0.00 O ATOM 715 CB ALA A 49 15.677 -4.912 0.354 1.00 0.00 C ATOM 0 H ALA A 49 13.669 -4.283 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 49 13.918 -5.544 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.363 -5.296 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.550 -5.655 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.085 -3.996 -0.074 1.00 0.00 H new ATOM 787 N ALA A 55 12.458 -7.542 0.499 1.00 0.00 N ATOM 788 CA ALA A 55 11.570 -7.134 -0.583 1.00 0.00 C ATOM 789 C ALA A 55 10.291 -7.964 -0.586 1.00 0.00 C ATOM 790 O ALA A 55 10.323 -9.169 -0.833 1.00 0.00 O ATOM 791 CB ALA A 55 12.282 -7.253 -1.923 1.00 0.00 C ATOM 0 HA ALA A 55 11.295 -6.092 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.607 -6.945 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.163 -6.612 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.586 -8.288 -2.083 1.00 0.00 H new ATOM 797 N ALA A 56 9.167 -7.311 -0.310 1.00 0.00 N ATOM 798 CA ALA A 56 7.877 -7.989 -0.282 1.00 0.00 C ATOM 799 C ALA A 56 6.732 -6.998 -0.458 1.00 0.00 C ATOM 800 O ALA A 56 6.833 -5.841 -0.052 1.00 0.00 O ATOM 801 CB ALA A 56 7.714 -8.761 1.019 1.00 0.00 C ATOM 0 H ALA A 56 9.124 -6.313 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 56 7.846 -8.692 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.746 -9.262 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.508 -9.503 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.771 -8.071 1.861 1.00 0.00 H new ATOM 807 N GLU A 57 5.644 -7.459 -1.067 1.00 0.00 N ATOM 808 CA GLU A 57 4.480 -6.611 -1.297 1.00 0.00 C ATOM 809 C GLU A 57 3.436 -6.810 -0.203 1.00 0.00 C ATOM 810 O GLU A 57 3.186 -7.933 0.234 1.00 0.00 O ATOM 811 CB GLU A 57 3.865 -6.912 -2.666 1.00 0.00 C ATOM 812 CG GLU A 57 2.548 -6.194 -2.912 1.00 0.00 C ATOM 813 CD GLU A 57 1.349 -7.003 -2.456 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.018 -6.947 -1.253 1.00 0.00 O ATOM 815 OE2 GLU A 57 0.742 -7.691 -3.303 1.00 0.00 O ATOM 0 H GLU A 57 5.544 -8.414 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 57 4.809 -5.572 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.574 -6.629 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.706 -7.987 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.557 -5.238 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.451 -5.975 -3.975 1.00 0.00 H new ATOM 822 N GLY A 58 2.830 -5.711 0.236 1.00 0.00 N ATOM 823 CA GLY A 58 1.820 -5.786 1.276 1.00 0.00 C ATOM 824 C GLY A 58 0.897 -4.583 1.276 1.00 0.00 C ATOM 825 O GLY A 58 1.283 -3.497 0.845 1.00 0.00 O ATOM 0 H GLY A 58 3.020 -4.770 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.230 -6.693 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.308 -5.865 2.247 1.00 0.00 H new ATOM 829 N TRP A 59 -0.325 -4.778 1.757 1.00 0.00 N ATOM 830 CA TRP A 59 -1.306 -3.700 1.809 1.00 0.00 C ATOM 831 C TRP A 59 -1.184 -2.914 3.109 1.00 0.00 C ATOM 832 O TRP A 59 -0.627 -3.404 4.092 1.00 0.00 O ATOM 833 CB TRP A 59 -2.722 -4.265 1.671 1.00 0.00 C ATOM 834 CG TRP A 59 -2.948 -4.991 0.380 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.441 -6.208 0.025 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.739 -4.545 -0.727 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.869 -6.546 -1.237 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.668 -5.542 -1.719 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.503 -3.401 -0.975 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.329 -5.427 -2.938 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.159 -3.289 -2.186 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.069 -4.297 -3.155 1.00 0.00 C ATOM 0 H TRP A 59 -0.660 -5.672 2.116 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.109 -3.023 0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.917 -4.945 2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.440 -3.449 1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.798 -6.816 0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.631 -7.404 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.579 -2.619 -0.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.260 -6.203 -3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.751 -2.409 -2.389 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.594 -4.180 -4.091 1.00 0.00 H new ATOM 853 N VAL A 60 -1.707 -1.692 3.109 1.00 0.00 N ATOM 854 CA VAL A 60 -1.656 -0.838 4.290 1.00 0.00 C ATOM 855 C VAL A 60 -2.753 0.220 4.250 1.00 0.00 C ATOM 856 O VAL A 60 -3.189 0.658 3.185 1.00 0.00 O ATOM 857 CB VAL A 60 -0.289 -0.141 4.420 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.839 -1.156 4.328 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.137 0.936 3.356 1.00 0.00 C ATOM 0 H VAL A 60 -2.171 -1.271 2.304 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.809 -1.483 5.155 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.236 0.337 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.797 -0.645 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.737 -1.887 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.792 -1.665 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.835 1.418 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.211 0.484 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.926 1.679 3.475 1.00 0.00 H new ATOM 869 N PRO A 61 -3.211 0.642 5.438 1.00 0.00 N ATOM 870 CA PRO A 61 -4.262 1.656 5.566 1.00 0.00 C ATOM 871 C PRO A 61 -3.785 3.042 5.147 1.00 0.00 C ATOM 872 O PRO A 61 -2.984 3.669 5.839 1.00 0.00 O ATOM 873 CB PRO A 61 -4.596 1.634 7.060 1.00 0.00 C ATOM 874 CG PRO A 61 -3.358 1.130 7.717 1.00 0.00 C ATOM 875 CD PRO A 61 -2.738 0.163 6.747 1.00 0.00 C ATOM 0 HA PRO A 61 -5.115 1.443 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.860 2.628 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.446 0.984 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.675 1.949 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.590 0.640 8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.650 0.173 6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.059 -0.861 6.940 1.00 0.00 H new ATOM 883 N GLY A 62 -4.283 3.516 4.009 1.00 0.00 N ATOM 884 CA GLY A 62 -3.896 4.825 3.518 1.00 0.00 C ATOM 885 C GLY A 62 -3.838 5.864 4.620 1.00 0.00 C ATOM 886 O GLY A 62 -3.157 6.881 4.490 1.00 0.00 O ATOM 0 H GLY A 62 -4.948 3.016 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.920 4.755 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.605 5.148 2.756 1.00 0.00 H new ATOM 890 N SER A 63 -4.556 5.609 5.710 1.00 0.00 N ATOM 891 CA SER A 63 -4.588 6.533 6.837 1.00 0.00 C ATOM 892 C SER A 63 -3.176 6.853 7.318 1.00 0.00 C ATOM 893 O SER A 63 -2.858 8.003 7.623 1.00 0.00 O ATOM 894 CB SER A 63 -5.408 5.941 7.986 1.00 0.00 C ATOM 895 OG SER A 63 -6.737 5.668 7.576 1.00 0.00 O ATOM 0 H SER A 63 -5.123 4.770 5.836 1.00 0.00 H new ATOM 0 HA SER A 63 -5.058 7.458 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.937 5.023 8.338 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.419 6.636 8.825 1.00 0.00 H new ATOM 0 HG SER A 63 -7.240 5.289 8.327 1.00 0.00 H new ATOM 901 N ILE A 64 -2.333 5.827 7.382 1.00 0.00 N ATOM 902 CA ILE A 64 -0.955 5.999 7.824 1.00 0.00 C ATOM 903 C ILE A 64 -0.028 6.266 6.643 1.00 0.00 C ATOM 904 O ILE A 64 1.184 6.067 6.733 1.00 0.00 O ATOM 905 CB ILE A 64 -0.450 4.760 8.587 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.230 3.593 7.621 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.437 4.372 9.678 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.488 2.418 8.247 1.00 0.00 C ATOM 0 H ILE A 64 -2.580 4.869 7.134 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.944 6.859 8.494 1.00 0.00 H new ATOM 0 HB ILE A 64 0.503 5.004 9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.196 3.258 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.344 3.945 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.067 3.495 10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.549 5.200 10.379 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.404 4.143 9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.609 1.629 7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.468 2.737 8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.096 2.040 9.087 1.00 0.00 H new ATOM 920 N LEU A 65 -0.606 6.720 5.536 1.00 0.00 N ATOM 921 CA LEU A 65 0.168 7.018 4.336 1.00 0.00 C ATOM 922 C LEU A 65 -0.029 8.468 3.906 1.00 0.00 C ATOM 923 O LEU A 65 -1.111 9.032 4.067 1.00 0.00 O ATOM 924 CB LEU A 65 -0.235 6.078 3.198 1.00 0.00 C ATOM 925 CG LEU A 65 0.172 4.613 3.361 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.245 3.804 2.143 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.672 4.500 3.592 1.00 0.00 C ATOM 0 H LEU A 65 -1.608 6.890 5.445 1.00 0.00 H new ATOM 0 HA LEU A 65 1.222 6.867 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.318 6.123 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.200 6.454 2.272 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.341 4.207 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.053 2.764 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.327 3.859 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.240 4.208 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.945 3.451 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.204 4.923 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.943 5.045 4.496 1.00 0.00 H new ATOM 939 N ALA A 66 1.023 9.066 3.357 1.00 0.00 N ATOM 940 CA ALA A 66 0.964 10.449 2.901 1.00 0.00 C ATOM 941 C ALA A 66 1.599 10.599 1.522 1.00 0.00 C ATOM 942 O ALA A 66 2.500 9.851 1.142 1.00 0.00 O ATOM 943 CB ALA A 66 1.651 11.365 3.903 1.00 0.00 C ATOM 0 H ALA A 66 1.927 8.614 3.217 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.085 10.736 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.599 12.395 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.152 11.287 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.695 11.070 4.010 1.00 0.00 H new ATOM 949 N PRO A 67 1.120 11.589 0.754 1.00 0.00 N ATOM 950 CA PRO A 67 1.626 11.860 -0.595 1.00 0.00 C ATOM 951 C PRO A 67 3.042 12.426 -0.579 1.00 0.00 C ATOM 952 O PRO A 67 3.239 13.630 -0.411 1.00 0.00 O ATOM 953 CB PRO A 67 0.642 12.897 -1.141 1.00 0.00 C ATOM 954 CG PRO A 67 0.090 13.570 0.068 1.00 0.00 C ATOM 955 CD PRO A 67 0.047 12.519 1.143 1.00 0.00 C ATOM 0 HA PRO A 67 1.689 10.954 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.142 13.610 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.147 12.424 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.717 14.410 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.905 13.969 -0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.224 12.946 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.922 12.021 1.180 1.00 0.00 H new ATOM 963 N PHE A 68 4.026 11.551 -0.755 1.00 0.00 N ATOM 964 CA PHE A 68 5.425 11.963 -0.760 1.00 0.00 C ATOM 965 C PHE A 68 5.744 12.787 -2.005 1.00 0.00 C ATOM 966 O PHE A 68 5.777 12.263 -3.118 1.00 0.00 O ATOM 967 CB PHE A 68 6.340 10.739 -0.697 1.00 0.00 C ATOM 968 CG PHE A 68 7.802 11.084 -0.657 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.364 11.645 0.478 1.00 0.00 C ATOM 970 CD2 PHE A 68 8.613 10.849 -1.756 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.708 11.963 0.518 1.00 0.00 C ATOM 972 CE2 PHE A 68 9.958 11.166 -1.721 1.00 0.00 C ATOM 973 CZ PHE A 68 10.506 11.724 -0.583 1.00 0.00 C ATOM 0 H PHE A 68 3.881 10.551 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 68 5.599 12.583 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.089 10.153 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.148 10.107 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.744 11.836 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.190 10.414 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.134 12.398 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.580 10.977 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.557 11.973 -0.554 1.00 0.00 H new