USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= -0.522 K(o=-0.34,f=-3.7) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -131:sc= 0.184 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 15 CYS SG : rot -74:sc= 0.0846 USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -0.0258 (180deg=-1.85!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.4) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 30 SER OG : rot -116:sc= 0.247 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0811 K(o=-0.081,f=-1.7!) USER MOD Single : A 47 GLN : amide:sc= -0.061 K(o=-0.061,f=-1.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.94) USER MOD Single : A 60 GLN : amide:sc= -0.0732 K(o=-0.073,f=-1.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.0281 (180deg=-0.26) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 27:sc= 0.906 USER MOD Single : A 68 CYS SG : rot 45:sc= 0.00275 USER MOD Single : A 69 ASN : amide:sc=-0.000348 X(o=-0.00035,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.668 15.249 12.010 1.00 0.00 N ATOM 67 CA LEU A 8 5.812 14.838 12.818 1.00 0.00 C ATOM 68 C LEU A 8 5.588 13.451 13.412 1.00 0.00 C ATOM 69 O LEU A 8 4.499 12.888 13.305 1.00 0.00 O ATOM 70 CB LEU A 8 6.060 15.851 13.937 1.00 0.00 C ATOM 71 CG LEU A 8 6.531 17.237 13.496 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.504 18.208 14.666 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.928 17.160 12.897 1.00 0.00 C ATOM 0 HA LEU A 8 6.688 14.799 12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.137 15.967 14.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.804 15.436 14.617 1.00 0.00 H new ATOM 0 HG LEU A 8 5.848 17.604 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.843 19.189 14.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.487 18.286 15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.163 17.846 15.455 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.247 18.156 12.589 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.622 16.771 13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.917 16.498 12.031 1.00 0.00 H new ATOM 85 N ARG A 9 6.626 12.908 14.039 1.00 0.00 N ATOM 86 CA ARG A 9 6.544 11.587 14.651 1.00 0.00 C ATOM 87 C ARG A 9 7.163 11.595 16.046 1.00 0.00 C ATOM 88 O ARG A 9 8.116 12.328 16.309 1.00 0.00 O ATOM 89 CB ARG A 9 7.247 10.550 13.774 1.00 0.00 C ATOM 90 CG ARG A 9 6.521 10.260 12.471 1.00 0.00 C ATOM 91 CD ARG A 9 5.220 9.511 12.713 1.00 0.00 C ATOM 92 NE ARG A 9 4.596 9.080 11.465 1.00 0.00 N ATOM 93 CZ ARG A 9 3.891 9.886 10.679 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.722 11.159 11.011 1.00 0.00 N ATOM 95 NH2 ARG A 9 3.354 9.420 9.559 1.00 0.00 N ATOM 0 H ARG A 9 7.534 13.362 14.137 1.00 0.00 H new ATOM 0 HA ARG A 9 5.491 11.321 14.741 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.254 10.901 13.548 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.351 9.622 14.336 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.312 11.196 11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.165 9.671 11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.414 8.641 13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.529 10.152 13.261 1.00 0.00 H new ATOM 0 HE ARG A 9 4.708 8.107 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.134 11.521 11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.180 11.776 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.482 8.442 9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.813 10.040 8.956 1.00 0.00 H new ATOM 109 N ARG A 10 6.614 10.773 16.935 1.00 0.00 N ATOM 110 CA ARG A 10 7.112 10.687 18.303 1.00 0.00 C ATOM 111 C ARG A 10 7.614 9.279 18.611 1.00 0.00 C ATOM 112 O ARG A 10 7.029 8.290 18.169 1.00 0.00 O ATOM 113 CB ARG A 10 6.012 11.075 19.294 1.00 0.00 C ATOM 114 CG ARG A 10 5.893 12.574 19.515 1.00 0.00 C ATOM 115 CD ARG A 10 4.476 12.970 19.897 1.00 0.00 C ATOM 116 NE ARG A 10 3.944 12.133 20.969 1.00 0.00 N ATOM 117 CZ ARG A 10 4.263 12.288 22.249 1.00 0.00 C ATOM 118 NH1 ARG A 10 5.107 13.243 22.615 1.00 0.00 N ATOM 119 NH2 ARG A 10 3.738 11.486 23.167 1.00 0.00 N ATOM 0 H ARG A 10 5.826 10.158 16.733 1.00 0.00 H new ATOM 0 HA ARG A 10 7.945 11.382 18.404 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.057 10.693 18.932 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.208 10.590 20.250 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.583 12.883 20.301 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.187 13.101 18.607 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.464 14.013 20.212 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.830 12.893 19.023 1.00 0.00 H new ATOM 0 HE ARG A 10 3.292 11.389 20.721 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.513 13.861 21.913 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.350 13.359 23.599 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.089 10.750 22.890 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.984 11.606 24.150 1.00 0.00 H new ATOM 133 N ALA A 11 8.702 9.198 19.370 1.00 0.00 N ATOM 134 CA ALA A 11 9.282 7.912 19.738 1.00 0.00 C ATOM 135 C ALA A 11 10.262 8.063 20.896 1.00 0.00 C ATOM 136 O ALA A 11 10.927 9.091 21.031 1.00 0.00 O ATOM 137 CB ALA A 11 9.973 7.282 18.537 1.00 0.00 C ATOM 0 H ALA A 11 9.199 10.007 19.742 1.00 0.00 H new ATOM 0 HA ALA A 11 8.474 7.257 20.064 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.402 6.322 18.826 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.247 7.130 17.738 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.766 7.942 18.186 1.00 0.00 H new ATOM 143 N THR A 12 10.347 7.033 21.732 1.00 0.00 N ATOM 144 CA THR A 12 11.244 7.052 22.880 1.00 0.00 C ATOM 145 C THR A 12 12.612 6.485 22.518 1.00 0.00 C ATOM 146 O THR A 12 12.714 5.497 21.792 1.00 0.00 O ATOM 147 CB THR A 12 10.664 6.249 24.060 1.00 0.00 C ATOM 148 OG1 THR A 12 9.881 5.155 23.570 1.00 0.00 O ATOM 149 CG2 THR A 12 9.806 7.136 24.948 1.00 0.00 C ATOM 0 H THR A 12 9.805 6.175 21.635 1.00 0.00 H new ATOM 0 HA THR A 12 11.353 8.095 23.179 1.00 0.00 H new ATOM 0 HB THR A 12 11.494 5.864 24.652 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.517 4.649 24.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.407 6.547 25.774 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.413 7.951 25.343 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.982 7.547 24.365 1.00 0.00 H new ATOM 157 N VAL A 13 13.664 7.117 23.030 1.00 0.00 N ATOM 158 CA VAL A 13 15.027 6.675 22.762 1.00 0.00 C ATOM 159 C VAL A 13 15.398 5.480 23.633 1.00 0.00 C ATOM 160 O VAL A 13 14.907 5.340 24.753 1.00 0.00 O ATOM 161 CB VAL A 13 16.043 7.807 23.003 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.431 7.386 22.545 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.601 9.078 22.293 1.00 0.00 C ATOM 0 H VAL A 13 13.598 7.937 23.633 1.00 0.00 H new ATOM 0 HA VAL A 13 15.064 6.382 21.713 1.00 0.00 H new ATOM 0 HB VAL A 13 16.087 8.011 24.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.135 8.199 22.723 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.746 6.504 23.103 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.408 7.153 21.480 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.330 9.868 22.474 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.528 8.890 21.222 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.628 9.388 22.674 1.00 0.00 H new ATOM 173 N GLU A 14 16.268 4.621 23.111 1.00 0.00 N ATOM 174 CA GLU A 14 16.705 3.438 23.842 1.00 0.00 C ATOM 175 C GLU A 14 17.811 3.788 24.834 1.00 0.00 C ATOM 176 O GLU A 14 17.622 3.697 26.047 1.00 0.00 O ATOM 177 CB GLU A 14 17.198 2.364 22.870 1.00 0.00 C ATOM 178 CG GLU A 14 17.492 1.030 23.535 1.00 0.00 C ATOM 179 CD GLU A 14 18.484 0.192 22.751 1.00 0.00 C ATOM 180 OE1 GLU A 14 19.342 0.782 22.061 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.401 -1.051 22.826 1.00 0.00 O ATOM 0 H GLU A 14 16.684 4.722 22.185 1.00 0.00 H new ATOM 0 HA GLU A 14 15.851 3.051 24.398 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.447 2.216 22.094 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.101 2.721 22.375 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.883 1.206 24.537 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.562 0.473 23.649 1.00 0.00 H new ATOM 188 N CYS A 15 18.963 4.188 24.308 1.00 0.00 N ATOM 189 CA CYS A 15 20.101 4.551 25.146 1.00 0.00 C ATOM 190 C CYS A 15 20.926 5.655 24.494 1.00 0.00 C ATOM 191 O CYS A 15 21.153 5.643 23.284 1.00 0.00 O ATOM 192 CB CYS A 15 20.980 3.327 25.407 1.00 0.00 C ATOM 193 SG CYS A 15 21.710 2.611 23.916 1.00 0.00 S ATOM 0 H CYS A 15 19.134 4.269 23.306 1.00 0.00 H new ATOM 0 HA CYS A 15 19.717 4.922 26.096 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.780 3.607 26.092 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.383 2.565 25.909 1.00 0.00 H new ATOM 0 HG CYS A 15 20.793 1.981 23.244 1.00 0.00 H new ATOM 199 N VAL A 16 21.372 6.610 25.304 1.00 0.00 N ATOM 200 CA VAL A 16 22.172 7.723 24.806 1.00 0.00 C ATOM 201 C VAL A 16 23.405 7.944 25.674 1.00 0.00 C ATOM 202 O VAL A 16 23.335 8.590 26.720 1.00 0.00 O ATOM 203 CB VAL A 16 21.352 9.026 24.757 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.147 10.132 24.081 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.028 8.796 24.043 1.00 0.00 C ATOM 0 H VAL A 16 21.193 6.635 26.308 1.00 0.00 H new ATOM 0 HA VAL A 16 22.485 7.461 23.795 1.00 0.00 H new ATOM 0 HB VAL A 16 21.138 9.339 25.779 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.552 11.045 24.056 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.065 10.313 24.639 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.395 9.832 23.063 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.462 9.727 24.018 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.218 8.459 23.024 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.455 8.037 24.575 1.00 0.00 H new ATOM 215 N LYS A 17 24.537 7.405 25.233 1.00 0.00 N ATOM 216 CA LYS A 17 25.789 7.544 25.967 1.00 0.00 C ATOM 217 C LYS A 17 26.870 8.164 25.087 1.00 0.00 C ATOM 218 O LYS A 17 27.678 8.968 25.553 1.00 0.00 O ATOM 219 CB LYS A 17 26.256 6.181 26.482 1.00 0.00 C ATOM 220 CG LYS A 17 25.584 5.758 27.777 1.00 0.00 C ATOM 221 CD LYS A 17 24.110 5.453 27.567 1.00 0.00 C ATOM 222 CE LYS A 17 23.583 4.498 28.627 1.00 0.00 C ATOM 223 NZ LYS A 17 22.095 4.424 28.616 1.00 0.00 N ATOM 0 H LYS A 17 24.613 6.867 24.370 1.00 0.00 H new ATOM 0 HA LYS A 17 25.612 8.205 26.815 1.00 0.00 H new ATOM 0 HB2 LYS A 17 26.062 5.427 25.719 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.335 6.210 26.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.085 4.877 28.177 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.691 6.550 28.519 1.00 0.00 H new ATOM 0 HD2 LYS A 17 23.538 6.380 27.594 1.00 0.00 H new ATOM 0 HD3 LYS A 17 23.964 5.018 26.578 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.997 3.504 28.459 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.923 4.823 29.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.734 4.558 29.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.715 5.169 27.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.796 3.493 28.261 1.00 0.00 H new ATOM 237 N ASP A 18 26.877 7.787 23.813 1.00 0.00 N ATOM 238 CA ASP A 18 27.857 8.309 22.868 1.00 0.00 C ATOM 239 C ASP A 18 27.272 9.464 22.060 1.00 0.00 C ATOM 240 O ASP A 18 26.078 9.749 22.144 1.00 0.00 O ATOM 241 CB ASP A 18 28.329 7.200 21.926 1.00 0.00 C ATOM 242 CG ASP A 18 29.177 6.161 22.634 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.122 6.554 23.351 1.00 0.00 O ATOM 244 OD2 ASP A 18 28.896 4.956 22.472 1.00 0.00 O ATOM 0 H ASP A 18 26.216 7.122 23.411 1.00 0.00 H new ATOM 0 HA ASP A 18 28.710 8.681 23.436 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.462 6.714 21.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.904 7.640 21.111 1.00 0.00 H new ATOM 249 N GLN A 19 28.122 10.124 21.280 1.00 0.00 N ATOM 250 CA GLN A 19 27.690 11.249 20.460 1.00 0.00 C ATOM 251 C GLN A 19 26.482 10.869 19.610 1.00 0.00 C ATOM 252 O GLN A 19 25.644 11.713 19.292 1.00 0.00 O ATOM 253 CB GLN A 19 28.833 11.721 19.560 1.00 0.00 C ATOM 254 CG GLN A 19 29.948 12.427 20.314 1.00 0.00 C ATOM 255 CD GLN A 19 31.240 12.489 19.523 1.00 0.00 C ATOM 256 OE1 GLN A 19 32.188 11.755 19.802 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.283 13.368 18.529 1.00 0.00 N ATOM 0 H GLN A 19 29.114 9.899 21.199 1.00 0.00 H new ATOM 0 HA GLN A 19 27.403 12.063 21.126 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.249 10.862 19.034 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.434 12.396 18.803 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.629 13.440 20.562 1.00 0.00 H new ATOM 0 HG3 GLN A 19 30.128 11.910 21.256 1.00 0.00 H new ATOM 0 HE21 GLN A 19 30.473 13.956 18.333 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.126 13.455 17.961 1.00 0.00 H new ATOM 266 N PHE A 20 26.399 9.594 19.244 1.00 0.00 N ATOM 267 CA PHE A 20 25.294 9.103 18.429 1.00 0.00 C ATOM 268 C PHE A 20 24.485 8.053 19.185 1.00 0.00 C ATOM 269 O PHE A 20 25.044 7.202 19.876 1.00 0.00 O ATOM 270 CB PHE A 20 25.821 8.512 17.120 1.00 0.00 C ATOM 271 CG PHE A 20 26.984 7.580 17.308 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.779 6.264 17.689 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.282 8.020 17.104 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.847 5.405 17.864 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.354 7.165 17.276 1.00 0.00 C ATOM 276 CZ PHE A 20 29.136 5.855 17.656 1.00 0.00 C ATOM 0 H PHE A 20 27.084 8.882 19.499 1.00 0.00 H new ATOM 0 HA PHE A 20 24.641 9.945 18.202 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.013 7.976 16.621 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.120 9.325 16.458 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.773 5.905 17.851 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.458 9.043 16.807 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.674 4.382 18.163 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.361 7.521 17.114 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.972 5.184 17.790 1.00 0.00 H new ATOM 286 N GLY A 21 23.164 8.119 19.048 1.00 0.00 N ATOM 287 CA GLY A 21 22.300 7.170 19.724 1.00 0.00 C ATOM 288 C GLY A 21 21.269 6.560 18.794 1.00 0.00 C ATOM 289 O GLY A 21 21.177 6.937 17.625 1.00 0.00 O ATOM 0 H GLY A 21 22.677 8.813 18.481 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.907 6.376 20.159 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.791 7.670 20.548 1.00 0.00 H new ATOM 293 N PHE A 22 20.493 5.614 19.312 1.00 0.00 N ATOM 294 CA PHE A 22 19.466 4.949 18.519 1.00 0.00 C ATOM 295 C PHE A 22 18.099 5.071 19.187 1.00 0.00 C ATOM 296 O PHE A 22 17.973 4.909 20.401 1.00 0.00 O ATOM 297 CB PHE A 22 19.820 3.473 18.322 1.00 0.00 C ATOM 298 CG PHE A 22 20.978 3.254 17.392 1.00 0.00 C ATOM 299 CD1 PHE A 22 20.800 3.301 16.019 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.246 2.999 17.891 1.00 0.00 C ATOM 301 CE1 PHE A 22 21.864 3.100 15.160 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.313 2.798 17.037 1.00 0.00 C ATOM 303 CZ PHE A 22 23.122 2.847 15.669 1.00 0.00 C ATOM 0 H PHE A 22 20.556 5.291 20.277 1.00 0.00 H new ATOM 0 HA PHE A 22 19.420 5.438 17.546 1.00 0.00 H new ATOM 0 HB2 PHE A 22 20.054 3.031 19.291 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.948 2.947 17.934 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.818 3.497 15.615 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.401 2.957 18.959 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.711 3.141 14.092 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.296 2.603 17.438 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.955 2.688 15.000 1.00 0.00 H new ATOM 313 N ILE A 23 17.079 5.359 18.385 1.00 0.00 N ATOM 314 CA ILE A 23 15.723 5.503 18.898 1.00 0.00 C ATOM 315 C ILE A 23 14.853 4.318 18.491 1.00 0.00 C ATOM 316 O ILE A 23 15.022 3.753 17.411 1.00 0.00 O ATOM 317 CB ILE A 23 15.066 6.803 18.397 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.983 7.998 18.664 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.714 7.005 19.065 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.466 9.297 18.086 1.00 0.00 C ATOM 0 H ILE A 23 17.166 5.497 17.378 1.00 0.00 H new ATOM 0 HA ILE A 23 15.799 5.540 19.985 1.00 0.00 H new ATOM 0 HB ILE A 23 14.909 6.723 17.321 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.111 8.114 19.740 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.968 7.790 18.246 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.262 7.928 18.701 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.062 6.164 18.829 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.848 7.068 20.145 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.166 10.101 18.314 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.364 9.199 17.005 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.494 9.528 18.522 1.00 0.00 H new ATOM 332 N ASN A 24 13.921 3.948 19.363 1.00 0.00 N ATOM 333 CA ASN A 24 13.023 2.831 19.094 1.00 0.00 C ATOM 334 C ASN A 24 11.933 3.235 18.105 1.00 0.00 C ATOM 335 O ASN A 24 10.769 3.387 18.476 1.00 0.00 O ATOM 336 CB ASN A 24 12.388 2.335 20.394 1.00 0.00 C ATOM 337 CG ASN A 24 13.422 1.867 21.400 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.434 1.268 21.034 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.171 2.137 22.676 1.00 0.00 N ATOM 0 H ASN A 24 13.768 4.405 20.262 1.00 0.00 H new ATOM 0 HA ASN A 24 13.609 2.025 18.653 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.794 3.136 20.834 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.704 1.516 20.172 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.830 1.845 23.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.319 2.636 22.934 1.00 0.00 H new ATOM 346 N TYR A 25 12.319 3.406 16.845 1.00 0.00 N ATOM 347 CA TYR A 25 11.376 3.794 15.803 1.00 0.00 C ATOM 348 C TYR A 25 11.618 2.995 14.525 1.00 0.00 C ATOM 349 O TYR A 25 12.713 3.018 13.965 1.00 0.00 O ATOM 350 CB TYR A 25 11.493 5.291 15.512 1.00 0.00 C ATOM 351 CG TYR A 25 10.372 5.830 14.653 1.00 0.00 C ATOM 352 CD1 TYR A 25 9.098 6.017 15.176 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.585 6.150 13.318 1.00 0.00 C ATOM 354 CE1 TYR A 25 8.070 6.509 14.395 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.564 6.644 12.529 1.00 0.00 C ATOM 356 CZ TYR A 25 8.308 6.821 13.072 1.00 0.00 C ATOM 357 OH TYR A 25 7.287 7.311 12.290 1.00 0.00 O ATOM 0 H TYR A 25 13.278 3.282 16.521 1.00 0.00 H new ATOM 0 HA TYR A 25 10.369 3.578 16.160 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.510 5.836 16.456 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.444 5.483 15.016 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.908 5.773 16.211 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.566 6.010 12.889 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.086 6.649 14.817 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.748 6.890 11.494 1.00 0.00 H new ATOM 0 HH TYR A 25 7.621 7.481 11.384 1.00 0.00 H new ATOM 367 N GLU A 26 10.586 2.291 14.072 1.00 0.00 N ATOM 368 CA GLU A 26 10.686 1.485 12.861 1.00 0.00 C ATOM 369 C GLU A 26 10.187 2.263 11.647 1.00 0.00 C ATOM 370 O GLU A 26 9.113 2.864 11.678 1.00 0.00 O ATOM 371 CB GLU A 26 9.883 0.191 13.015 1.00 0.00 C ATOM 372 CG GLU A 26 10.376 -0.940 12.127 1.00 0.00 C ATOM 373 CD GLU A 26 9.315 -1.996 11.886 1.00 0.00 C ATOM 374 OE1 GLU A 26 8.344 -2.053 12.670 1.00 0.00 O ATOM 375 OE2 GLU A 26 9.456 -2.767 10.913 1.00 0.00 O ATOM 0 H GLU A 26 9.672 2.262 14.524 1.00 0.00 H new ATOM 0 HA GLU A 26 11.736 1.237 12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.924 -0.131 14.056 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.837 0.393 12.785 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.700 -0.531 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.248 -1.405 12.587 1.00 0.00 H new ATOM 382 N VAL A 27 10.976 2.249 10.577 1.00 0.00 N ATOM 383 CA VAL A 27 10.616 2.952 9.352 1.00 0.00 C ATOM 384 C VAL A 27 10.711 2.031 8.141 1.00 0.00 C ATOM 385 O VAL A 27 11.176 2.434 7.076 1.00 0.00 O ATOM 386 CB VAL A 27 11.521 4.178 9.122 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.273 5.232 10.190 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.984 3.763 9.100 1.00 0.00 C ATOM 0 H VAL A 27 11.869 1.758 10.534 1.00 0.00 H new ATOM 0 HA VAL A 27 9.585 3.286 9.471 1.00 0.00 H new ATOM 0 HB VAL A 27 11.276 4.613 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.921 6.090 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.231 5.550 10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.489 4.812 11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.609 4.641 8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.246 3.303 10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.147 3.047 8.295 1.00 0.00 H new ATOM 398 N GLY A 28 10.264 0.790 8.312 1.00 0.00 N ATOM 399 CA GLY A 28 10.306 -0.170 7.224 1.00 0.00 C ATOM 400 C GLY A 28 11.321 -1.271 7.462 1.00 0.00 C ATOM 401 O GLY A 28 11.229 -2.007 8.445 1.00 0.00 O ATOM 0 H GLY A 28 9.874 0.433 9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.318 -0.612 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.547 0.348 6.296 1.00 0.00 H new ATOM 405 N ASP A 29 12.289 -1.386 6.560 1.00 0.00 N ATOM 406 CA ASP A 29 13.325 -2.406 6.676 1.00 0.00 C ATOM 407 C ASP A 29 14.151 -2.200 7.941 1.00 0.00 C ATOM 408 O ASP A 29 14.569 -3.162 8.585 1.00 0.00 O ATOM 409 CB ASP A 29 14.235 -2.380 5.447 1.00 0.00 C ATOM 410 CG ASP A 29 14.871 -1.022 5.226 1.00 0.00 C ATOM 411 OD1 ASP A 29 14.163 -0.105 4.758 1.00 0.00 O ATOM 412 OD2 ASP A 29 16.075 -0.875 5.520 1.00 0.00 O ATOM 0 H ASP A 29 12.378 -0.786 5.740 1.00 0.00 H new ATOM 0 HA ASP A 29 12.838 -3.379 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.018 -3.130 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.657 -2.655 4.565 1.00 0.00 H new ATOM 417 N SER A 30 14.384 -0.939 8.291 1.00 0.00 N ATOM 418 CA SER A 30 15.165 -0.606 9.477 1.00 0.00 C ATOM 419 C SER A 30 14.411 -0.986 10.748 1.00 0.00 C ATOM 420 O SER A 30 13.199 -1.198 10.725 1.00 0.00 O ATOM 421 CB SER A 30 15.495 0.888 9.493 1.00 0.00 C ATOM 422 OG SER A 30 16.665 1.143 10.252 1.00 0.00 O ATOM 0 H SER A 30 14.043 -0.131 7.770 1.00 0.00 H new ATOM 0 HA SER A 30 16.094 -1.175 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.635 1.244 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.657 1.444 9.912 1.00 0.00 H new ATOM 0 HG SER A 30 16.438 1.700 11.026 1.00 0.00 H new ATOM 428 N LYS A 31 15.139 -1.071 11.856 1.00 0.00 N ATOM 429 CA LYS A 31 14.542 -1.424 13.139 1.00 0.00 C ATOM 430 C LYS A 31 14.636 -0.261 14.121 1.00 0.00 C ATOM 431 O LYS A 31 13.834 -0.151 15.049 1.00 0.00 O ATOM 432 CB LYS A 31 15.233 -2.657 13.724 1.00 0.00 C ATOM 433 CG LYS A 31 16.730 -2.482 13.914 1.00 0.00 C ATOM 434 CD LYS A 31 17.518 -3.241 12.860 1.00 0.00 C ATOM 435 CE LYS A 31 18.859 -3.715 13.399 1.00 0.00 C ATOM 436 NZ LYS A 31 18.749 -5.036 14.078 1.00 0.00 N ATOM 0 H LYS A 31 16.144 -0.900 11.892 1.00 0.00 H new ATOM 0 HA LYS A 31 13.489 -1.651 12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.779 -2.896 14.686 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.056 -3.509 13.067 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.982 -1.423 13.866 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.015 -2.833 14.906 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.938 -4.099 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.679 -2.600 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.575 -3.786 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 19.250 -2.978 14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.684 -5.324 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.085 -4.962 14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.401 -5.746 13.402 1.00 0.00 H new ATOM 450 N LYS A 32 15.619 0.608 13.911 1.00 0.00 N ATOM 451 CA LYS A 32 15.817 1.765 14.775 1.00 0.00 C ATOM 452 C LYS A 32 16.211 2.992 13.960 1.00 0.00 C ATOM 453 O LYS A 32 16.583 2.881 12.791 1.00 0.00 O ATOM 454 CB LYS A 32 16.894 1.468 15.822 1.00 0.00 C ATOM 455 CG LYS A 32 16.368 0.734 17.044 1.00 0.00 C ATOM 456 CD LYS A 32 17.497 0.307 17.966 1.00 0.00 C ATOM 457 CE LYS A 32 18.074 -1.039 17.554 1.00 0.00 C ATOM 458 NZ LYS A 32 19.197 -1.456 18.439 1.00 0.00 N ATOM 0 H LYS A 32 16.292 0.532 13.148 1.00 0.00 H new ATOM 0 HA LYS A 32 14.874 1.974 15.281 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.682 0.872 15.362 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.349 2.406 16.140 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.677 1.379 17.587 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.804 -0.143 16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.284 1.061 17.953 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.129 0.248 18.990 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.289 -1.795 17.583 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.425 -0.983 16.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.563 -2.378 18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.957 -0.748 18.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.856 -1.534 19.419 1.00 0.00 H new ATOM 472 N LEU A 33 16.129 4.162 14.584 1.00 0.00 N ATOM 473 CA LEU A 33 16.479 5.412 13.916 1.00 0.00 C ATOM 474 C LEU A 33 17.865 5.886 14.340 1.00 0.00 C ATOM 475 O LEU A 33 18.404 5.437 15.352 1.00 0.00 O ATOM 476 CB LEU A 33 15.440 6.489 14.231 1.00 0.00 C ATOM 477 CG LEU A 33 15.513 7.760 13.384 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.454 7.419 11.903 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.390 8.716 13.758 1.00 0.00 C ATOM 0 H LEU A 33 15.823 4.272 15.551 1.00 0.00 H new ATOM 0 HA LEU A 33 16.491 5.231 12.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.448 6.054 14.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.542 6.769 15.280 1.00 0.00 H new ATOM 0 HG LEU A 33 16.464 8.253 13.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.507 8.336 11.316 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.293 6.774 11.645 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.519 6.903 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.458 9.615 13.145 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.428 8.232 13.587 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.478 8.987 14.810 1.00 0.00 H new ATOM 491 N PHE A 34 18.436 6.798 13.560 1.00 0.00 N ATOM 492 CA PHE A 34 19.760 7.334 13.855 1.00 0.00 C ATOM 493 C PHE A 34 19.728 8.859 13.911 1.00 0.00 C ATOM 494 O PHE A 34 19.129 9.511 13.055 1.00 0.00 O ATOM 495 CB PHE A 34 20.768 6.872 12.801 1.00 0.00 C ATOM 496 CG PHE A 34 22.111 7.532 12.926 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.026 7.098 13.872 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.460 8.587 12.098 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.263 7.702 13.990 1.00 0.00 C ATOM 500 CE2 PHE A 34 23.696 9.195 12.211 1.00 0.00 C ATOM 501 CZ PHE A 34 24.598 8.753 13.159 1.00 0.00 C ATOM 0 H PHE A 34 18.003 7.181 12.720 1.00 0.00 H new ATOM 0 HA PHE A 34 20.068 6.958 14.831 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.894 5.792 12.879 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.363 7.075 11.809 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.769 6.277 14.525 1.00 0.00 H new ATOM 0 HD2 PHE A 34 21.758 8.938 11.356 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.967 7.353 14.731 1.00 0.00 H new ATOM 0 HE2 PHE A 34 23.956 10.015 11.558 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.563 9.228 13.250 1.00 0.00 H new ATOM 511 N PHE A 35 20.377 9.422 14.925 1.00 0.00 N ATOM 512 CA PHE A 35 20.423 10.869 15.095 1.00 0.00 C ATOM 513 C PHE A 35 21.748 11.303 15.715 1.00 0.00 C ATOM 514 O PHE A 35 22.438 10.506 16.353 1.00 0.00 O ATOM 515 CB PHE A 35 19.259 11.338 15.971 1.00 0.00 C ATOM 516 CG PHE A 35 19.424 10.989 17.423 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.335 9.673 17.847 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.667 11.977 18.363 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.484 9.350 19.182 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.818 11.659 19.700 1.00 0.00 C ATOM 521 CZ PHE A 35 19.728 10.344 20.110 1.00 0.00 C ATOM 0 H PHE A 35 20.879 8.897 15.642 1.00 0.00 H new ATOM 0 HA PHE A 35 20.336 11.328 14.110 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.155 12.419 15.875 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.335 10.894 15.601 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.147 8.891 17.126 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.739 13.007 18.048 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.410 8.321 19.500 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.006 12.439 20.423 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.848 10.093 21.154 1.00 0.00 H new ATOM 531 N HIS A 36 22.098 12.570 15.522 1.00 0.00 N ATOM 532 CA HIS A 36 23.341 13.111 16.062 1.00 0.00 C ATOM 533 C HIS A 36 23.058 14.136 17.156 1.00 0.00 C ATOM 534 O HIS A 36 21.926 14.594 17.314 1.00 0.00 O ATOM 535 CB HIS A 36 24.169 13.752 14.948 1.00 0.00 C ATOM 536 CG HIS A 36 25.631 13.837 15.262 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.293 15.032 15.449 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.560 12.866 15.424 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.565 14.793 15.711 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.754 13.486 15.702 1.00 0.00 N ATOM 0 H HIS A 36 21.539 13.242 14.996 1.00 0.00 H new ATOM 0 HA HIS A 36 23.907 12.288 16.498 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.035 13.178 14.031 1.00 0.00 H new ATOM 0 HB3 HIS A 36 23.788 14.755 14.755 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.394 11.802 15.349 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.322 15.540 15.900 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.642 13.014 15.873 1.00 0.00 H new ATOM 548 N VAL A 37 24.093 14.492 17.909 1.00 0.00 N ATOM 549 CA VAL A 37 23.956 15.463 18.988 1.00 0.00 C ATOM 550 C VAL A 37 23.634 16.850 18.442 1.00 0.00 C ATOM 551 O VAL A 37 23.034 17.676 19.128 1.00 0.00 O ATOM 552 CB VAL A 37 25.237 15.543 19.838 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.408 14.279 20.667 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.451 15.777 18.951 1.00 0.00 C ATOM 0 H VAL A 37 25.036 14.122 17.792 1.00 0.00 H new ATOM 0 HA VAL A 37 23.133 15.123 19.616 1.00 0.00 H new ATOM 0 HB VAL A 37 25.147 16.387 20.521 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.319 14.354 21.261 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.551 14.160 21.330 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.477 13.416 20.005 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.348 15.831 19.568 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.547 14.955 18.242 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.329 16.713 18.406 1.00 0.00 H new ATOM 564 N LYS A 38 24.038 17.099 17.201 1.00 0.00 N ATOM 565 CA LYS A 38 23.793 18.385 16.559 1.00 0.00 C ATOM 566 C LYS A 38 22.332 18.513 16.139 1.00 0.00 C ATOM 567 O LYS A 38 21.797 19.618 16.054 1.00 0.00 O ATOM 568 CB LYS A 38 24.702 18.551 15.339 1.00 0.00 C ATOM 569 CG LYS A 38 24.283 17.706 14.148 1.00 0.00 C ATOM 570 CD LYS A 38 25.174 17.959 12.944 1.00 0.00 C ATOM 571 CE LYS A 38 26.456 17.143 13.018 1.00 0.00 C ATOM 572 NZ LYS A 38 26.267 15.765 12.487 1.00 0.00 N ATOM 0 H LYS A 38 24.537 16.426 16.619 1.00 0.00 H new ATOM 0 HA LYS A 38 24.016 19.171 17.280 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.712 19.600 15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.722 18.289 15.619 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.324 16.651 14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.248 17.929 13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.634 17.708 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.419 19.020 12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 38 27.240 17.646 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.794 17.090 14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.651 15.076 13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 25.253 15.583 12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.765 15.672 11.579 1.00 0.00 H new ATOM 586 N GLU A 39 21.694 17.376 15.879 1.00 0.00 N ATOM 587 CA GLU A 39 20.294 17.364 15.469 1.00 0.00 C ATOM 588 C GLU A 39 19.414 18.038 16.517 1.00 0.00 C ATOM 589 O GLU A 39 18.741 19.029 16.234 1.00 0.00 O ATOM 590 CB GLU A 39 19.821 15.927 15.237 1.00 0.00 C ATOM 591 CG GLU A 39 20.457 15.264 14.027 1.00 0.00 C ATOM 592 CD GLU A 39 20.407 16.138 12.789 1.00 0.00 C ATOM 593 OE1 GLU A 39 21.263 17.038 12.662 1.00 0.00 O ATOM 594 OE2 GLU A 39 19.510 15.922 11.947 1.00 0.00 O ATOM 0 H GLU A 39 22.123 16.453 15.945 1.00 0.00 H new ATOM 0 HA GLU A 39 20.210 17.922 14.537 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.042 15.333 16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.738 15.925 15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.495 15.021 14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.947 14.323 13.823 1.00 0.00 H new ATOM 601 N VAL A 40 19.424 17.493 17.729 1.00 0.00 N ATOM 602 CA VAL A 40 18.627 18.041 18.820 1.00 0.00 C ATOM 603 C VAL A 40 18.878 19.536 18.987 1.00 0.00 C ATOM 604 O VAL A 40 19.999 20.010 18.806 1.00 0.00 O ATOM 605 CB VAL A 40 18.933 17.329 20.151 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.420 17.400 20.466 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.112 17.934 21.280 1.00 0.00 C ATOM 0 H VAL A 40 19.975 16.672 17.980 1.00 0.00 H new ATOM 0 HA VAL A 40 17.581 17.878 18.561 1.00 0.00 H new ATOM 0 HB VAL A 40 18.656 16.279 20.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.617 16.892 21.410 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.984 16.916 19.669 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.726 18.443 20.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.341 17.419 22.213 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.355 18.992 21.380 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.051 17.826 21.057 1.00 0.00 H new ATOM 617 N GLN A 41 17.826 20.272 19.333 1.00 0.00 N ATOM 618 CA GLN A 41 17.933 21.713 19.523 1.00 0.00 C ATOM 619 C GLN A 41 17.415 22.120 20.899 1.00 0.00 C ATOM 620 O GLN A 41 17.062 21.270 21.716 1.00 0.00 O ATOM 621 CB GLN A 41 17.155 22.452 18.433 1.00 0.00 C ATOM 622 CG GLN A 41 17.600 22.099 17.023 1.00 0.00 C ATOM 623 CD GLN A 41 18.697 23.012 16.511 1.00 0.00 C ATOM 624 OE1 GLN A 41 19.194 23.872 17.238 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.080 22.829 15.253 1.00 0.00 N ATOM 0 H GLN A 41 16.891 19.894 19.487 1.00 0.00 H new ATOM 0 HA GLN A 41 18.986 21.986 19.456 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.094 22.225 18.538 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.267 23.526 18.582 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.953 21.068 17.005 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.743 22.154 16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.640 22.104 14.686 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.814 23.414 14.853 1.00 0.00 H new ATOM 634 N ASP A 42 17.372 23.425 21.147 1.00 0.00 N ATOM 635 CA ASP A 42 16.896 23.945 22.423 1.00 0.00 C ATOM 636 C ASP A 42 17.798 23.489 23.566 1.00 0.00 C ATOM 637 O ASP A 42 17.368 23.408 24.716 1.00 0.00 O ATOM 638 CB ASP A 42 15.459 23.490 22.680 1.00 0.00 C ATOM 639 CG ASP A 42 14.826 24.207 23.856 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.102 25.411 24.035 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.054 23.564 24.598 1.00 0.00 O ATOM 0 H ASP A 42 17.661 24.141 20.481 1.00 0.00 H new ATOM 0 HA ASP A 42 16.921 25.034 22.375 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.860 23.665 21.786 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.449 22.416 22.865 1.00 0.00 H new ATOM 646 N GLY A 43 19.053 23.191 23.241 1.00 0.00 N ATOM 647 CA GLY A 43 19.996 22.746 24.250 1.00 0.00 C ATOM 648 C GLY A 43 19.464 21.587 25.069 1.00 0.00 C ATOM 649 O GLY A 43 19.576 21.581 26.295 1.00 0.00 O ATOM 0 H GLY A 43 19.433 23.250 22.296 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.927 22.449 23.767 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.233 23.578 24.914 1.00 0.00 H new ATOM 653 N ILE A 44 18.881 20.604 24.391 1.00 0.00 N ATOM 654 CA ILE A 44 18.330 19.435 25.064 1.00 0.00 C ATOM 655 C ILE A 44 19.227 18.216 24.875 1.00 0.00 C ATOM 656 O ILE A 44 19.874 18.066 23.839 1.00 0.00 O ATOM 657 CB ILE A 44 16.917 19.103 24.549 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.045 20.360 24.540 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.282 18.018 25.406 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.795 20.932 25.918 1.00 0.00 C ATOM 0 H ILE A 44 18.778 20.594 23.376 1.00 0.00 H new ATOM 0 HA ILE A 44 18.274 19.680 26.125 1.00 0.00 H new ATOM 0 HB ILE A 44 16.997 18.732 23.527 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.523 21.120 23.921 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.088 20.125 24.074 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.284 17.795 25.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.895 17.118 25.366 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.212 18.364 26.437 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.170 21.821 25.835 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.289 20.189 26.534 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.746 21.199 26.379 1.00 0.00 H new ATOM 672 N GLU A 45 19.259 17.349 25.881 1.00 0.00 N ATOM 673 CA GLU A 45 20.076 16.143 25.824 1.00 0.00 C ATOM 674 C GLU A 45 19.203 14.892 25.856 1.00 0.00 C ATOM 675 O GLU A 45 18.811 14.421 26.924 1.00 0.00 O ATOM 676 CB GLU A 45 21.067 16.116 26.990 1.00 0.00 C ATOM 677 CG GLU A 45 22.336 16.911 26.729 1.00 0.00 C ATOM 678 CD GLU A 45 23.031 17.336 28.007 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.332 17.544 29.021 1.00 0.00 O ATOM 680 OE2 GLU A 45 24.274 17.461 27.994 1.00 0.00 O ATOM 0 H GLU A 45 18.729 17.459 26.745 1.00 0.00 H new ATOM 0 HA GLU A 45 20.630 16.155 24.885 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.578 16.510 27.881 1.00 0.00 H new ATOM 0 HB3 GLU A 45 21.334 15.081 27.205 1.00 0.00 H new ATOM 0 HG2 GLU A 45 23.020 16.310 26.130 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.092 17.796 26.141 1.00 0.00 H new ATOM 687 N LEU A 46 18.903 14.358 24.677 1.00 0.00 N ATOM 688 CA LEU A 46 18.075 13.161 24.568 1.00 0.00 C ATOM 689 C LEU A 46 18.699 11.996 25.330 1.00 0.00 C ATOM 690 O LEU A 46 19.828 11.594 25.051 1.00 0.00 O ATOM 691 CB LEU A 46 17.886 12.780 23.099 1.00 0.00 C ATOM 692 CG LEU A 46 17.529 13.925 22.149 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.333 13.404 20.734 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.279 14.647 22.631 1.00 0.00 C ATOM 0 H LEU A 46 19.220 14.734 23.784 1.00 0.00 H new ATOM 0 HA LEU A 46 17.103 13.381 25.009 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.805 12.313 22.744 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.101 12.026 23.038 1.00 0.00 H new ATOM 0 HG LEU A 46 18.355 14.636 22.141 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.080 14.233 20.073 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.253 12.933 20.389 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.525 12.672 20.724 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.040 15.458 21.944 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.446 13.946 22.669 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.455 15.055 23.626 1.00 0.00 H new ATOM 706 N GLN A 47 17.955 11.459 26.292 1.00 0.00 N ATOM 707 CA GLN A 47 18.436 10.339 27.093 1.00 0.00 C ATOM 708 C GLN A 47 17.582 9.097 26.860 1.00 0.00 C ATOM 709 O GLN A 47 16.682 9.099 26.021 1.00 0.00 O ATOM 710 CB GLN A 47 18.428 10.707 28.578 1.00 0.00 C ATOM 711 CG GLN A 47 19.009 12.082 28.867 1.00 0.00 C ATOM 712 CD GLN A 47 19.482 12.226 30.300 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.342 11.307 31.108 1.00 0.00 O ATOM 714 NE2 GLN A 47 20.048 13.383 30.623 1.00 0.00 N ATOM 0 H GLN A 47 17.018 11.781 26.535 1.00 0.00 H new ATOM 0 HA GLN A 47 19.458 10.117 26.786 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.403 10.670 28.948 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.994 9.959 29.132 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.844 12.268 28.192 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.256 12.842 28.659 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.144 14.117 29.922 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.387 13.537 31.573 1.00 0.00 H new ATOM 723 N ALA A 48 17.870 8.038 27.609 1.00 0.00 N ATOM 724 CA ALA A 48 17.128 6.790 27.485 1.00 0.00 C ATOM 725 C ALA A 48 15.711 6.937 28.031 1.00 0.00 C ATOM 726 O ALA A 48 15.501 7.535 29.085 1.00 0.00 O ATOM 727 CB ALA A 48 17.859 5.667 28.206 1.00 0.00 C ATOM 0 H ALA A 48 18.612 8.020 28.308 1.00 0.00 H new ATOM 0 HA ALA A 48 17.058 6.542 26.426 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.293 4.741 28.105 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.849 5.537 27.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.959 5.917 29.262 1.00 0.00 H new ATOM 733 N GLY A 49 14.742 6.388 27.305 1.00 0.00 N ATOM 734 CA GLY A 49 13.358 6.471 27.732 1.00 0.00 C ATOM 735 C GLY A 49 12.778 7.860 27.555 1.00 0.00 C ATOM 736 O GLY A 49 11.733 8.181 28.120 1.00 0.00 O ATOM 0 H GLY A 49 14.891 5.887 26.429 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.762 5.757 27.163 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.287 6.182 28.781 1.00 0.00 H new ATOM 740 N ASP A 50 13.458 8.687 26.769 1.00 0.00 N ATOM 741 CA ASP A 50 13.005 10.050 26.519 1.00 0.00 C ATOM 742 C ASP A 50 12.243 10.137 25.200 1.00 0.00 C ATOM 743 O ASP A 50 12.753 9.742 24.151 1.00 0.00 O ATOM 744 CB ASP A 50 14.195 11.011 26.498 1.00 0.00 C ATOM 745 CG ASP A 50 14.804 11.207 27.873 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.603 10.332 28.742 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.483 12.234 28.079 1.00 0.00 O ATOM 0 H ASP A 50 14.325 8.437 26.294 1.00 0.00 H new ATOM 0 HA ASP A 50 12.331 10.335 27.327 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.956 10.628 25.818 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.873 11.975 26.105 1.00 0.00 H new ATOM 752 N GLU A 51 11.020 10.654 25.261 1.00 0.00 N ATOM 753 CA GLU A 51 10.189 10.790 24.071 1.00 0.00 C ATOM 754 C GLU A 51 10.371 12.164 23.433 1.00 0.00 C ATOM 755 O GLU A 51 10.195 13.192 24.086 1.00 0.00 O ATOM 756 CB GLU A 51 8.716 10.571 24.423 1.00 0.00 C ATOM 757 CG GLU A 51 7.882 10.058 23.262 1.00 0.00 C ATOM 758 CD GLU A 51 6.576 9.432 23.712 1.00 0.00 C ATOM 759 OE1 GLU A 51 6.143 9.715 24.849 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.987 8.659 22.927 1.00 0.00 O ATOM 0 H GLU A 51 10.583 10.985 26.121 1.00 0.00 H new ATOM 0 HA GLU A 51 10.501 10.031 23.353 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.650 9.862 25.248 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.292 11.511 24.776 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.670 10.882 22.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.459 9.322 22.702 1.00 0.00 H new ATOM 767 N VAL A 52 10.726 12.173 22.152 1.00 0.00 N ATOM 768 CA VAL A 52 10.933 13.419 21.424 1.00 0.00 C ATOM 769 C VAL A 52 10.167 13.420 20.107 1.00 0.00 C ATOM 770 O VAL A 52 9.604 12.402 19.705 1.00 0.00 O ATOM 771 CB VAL A 52 12.427 13.661 21.137 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.215 13.735 22.436 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.977 12.570 20.231 1.00 0.00 C ATOM 0 H VAL A 52 10.876 11.331 21.597 1.00 0.00 H new ATOM 0 HA VAL A 52 10.559 14.222 22.059 1.00 0.00 H new ATOM 0 HB VAL A 52 12.531 14.616 20.623 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.268 13.906 22.213 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.835 14.555 23.046 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.107 12.797 22.981 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.034 12.756 20.038 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.862 11.601 20.717 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.430 12.570 19.288 1.00 0.00 H new ATOM 783 N GLU A 53 10.150 14.569 19.439 1.00 0.00 N ATOM 784 CA GLU A 53 9.451 14.702 18.165 1.00 0.00 C ATOM 785 C GLU A 53 10.424 15.065 17.047 1.00 0.00 C ATOM 786 O GLU A 53 11.148 16.056 17.136 1.00 0.00 O ATOM 787 CB GLU A 53 8.355 15.764 18.268 1.00 0.00 C ATOM 788 CG GLU A 53 7.298 15.655 17.182 1.00 0.00 C ATOM 789 CD GLU A 53 5.988 16.310 17.574 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.004 17.515 17.903 1.00 0.00 O ATOM 791 OE2 GLU A 53 4.949 15.619 17.553 1.00 0.00 O ATOM 0 H GLU A 53 10.612 15.421 19.758 1.00 0.00 H new ATOM 0 HA GLU A 53 8.994 13.741 17.928 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.873 15.683 19.242 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.813 16.752 18.220 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.672 16.118 16.269 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.121 14.603 16.957 1.00 0.00 H new ATOM 798 N PHE A 54 10.434 14.254 15.994 1.00 0.00 N ATOM 799 CA PHE A 54 11.319 14.488 14.858 1.00 0.00 C ATOM 800 C PHE A 54 10.580 14.270 13.540 1.00 0.00 C ATOM 801 O PHE A 54 9.507 13.669 13.510 1.00 0.00 O ATOM 802 CB PHE A 54 12.536 13.564 14.933 1.00 0.00 C ATOM 803 CG PHE A 54 12.178 12.108 15.022 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.788 11.406 13.893 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.232 11.441 16.236 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.459 10.066 13.972 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.904 10.101 16.320 1.00 0.00 C ATOM 808 CZ PHE A 54 11.516 9.413 15.187 1.00 0.00 C ATOM 0 H PHE A 54 9.840 13.430 15.904 1.00 0.00 H new ATOM 0 HA PHE A 54 11.656 15.524 14.899 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.158 13.724 14.053 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.136 13.836 15.801 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.741 11.912 12.940 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.534 11.974 17.126 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.158 9.530 13.084 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.951 9.592 17.271 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.258 8.366 15.251 1.00 0.00 H new ATOM 818 N SER A 55 11.165 14.763 12.453 1.00 0.00 N ATOM 819 CA SER A 55 10.561 14.627 11.132 1.00 0.00 C ATOM 820 C SER A 55 11.395 13.705 10.247 1.00 0.00 C ATOM 821 O SER A 55 12.623 13.791 10.224 1.00 0.00 O ATOM 822 CB SER A 55 10.418 15.998 10.469 1.00 0.00 C ATOM 823 OG SER A 55 9.362 16.000 9.525 1.00 0.00 O ATOM 0 H SER A 55 12.056 15.260 12.461 1.00 0.00 H new ATOM 0 HA SER A 55 9.571 14.187 11.255 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.231 16.756 11.230 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.352 16.266 9.975 1.00 0.00 H new ATOM 0 HG SER A 55 9.290 16.888 9.117 1.00 0.00 H new ATOM 829 N VAL A 56 10.718 12.824 9.518 1.00 0.00 N ATOM 830 CA VAL A 56 11.394 11.886 8.629 1.00 0.00 C ATOM 831 C VAL A 56 11.917 12.591 7.382 1.00 0.00 C ATOM 832 O VAL A 56 11.153 12.907 6.470 1.00 0.00 O ATOM 833 CB VAL A 56 10.457 10.740 8.204 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.179 9.777 7.274 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.919 10.011 9.426 1.00 0.00 C ATOM 0 H VAL A 56 9.701 12.740 9.525 1.00 0.00 H new ATOM 0 HA VAL A 56 12.233 11.470 9.186 1.00 0.00 H new ATOM 0 HB VAL A 56 9.613 11.166 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.501 8.974 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.511 10.311 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.043 9.355 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.259 9.204 9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.750 9.596 9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.363 10.710 10.051 1.00 0.00 H new ATOM 845 N ILE A 57 13.223 12.833 7.350 1.00 0.00 N ATOM 846 CA ILE A 57 13.848 13.499 6.214 1.00 0.00 C ATOM 847 C ILE A 57 14.725 12.533 5.425 1.00 0.00 C ATOM 848 O ILE A 57 15.629 11.904 5.978 1.00 0.00 O ATOM 849 CB ILE A 57 14.701 14.699 6.664 1.00 0.00 C ATOM 850 CG1 ILE A 57 13.903 15.593 7.615 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.178 15.493 5.457 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.628 16.134 7.007 1.00 0.00 C ATOM 0 H ILE A 57 13.869 12.578 8.097 1.00 0.00 H new ATOM 0 HA ILE A 57 13.041 13.857 5.575 1.00 0.00 H new ATOM 0 HB ILE A 57 15.575 14.324 7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.656 15.026 8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.530 16.428 7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.780 16.338 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.780 14.851 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.316 15.860 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.114 16.759 7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.869 16.729 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.982 15.305 6.720 1.00 0.00 H new ATOM 864 N LEU A 58 14.454 12.419 4.129 1.00 0.00 N ATOM 865 CA LEU A 58 15.220 11.531 3.262 1.00 0.00 C ATOM 866 C LEU A 58 16.297 12.303 2.506 1.00 0.00 C ATOM 867 O LEU A 58 16.031 13.359 1.935 1.00 0.00 O ATOM 868 CB LEU A 58 14.291 10.827 2.272 1.00 0.00 C ATOM 869 CG LEU A 58 14.974 10.067 1.134 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.789 8.906 1.682 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.944 9.570 0.130 1.00 0.00 C ATOM 0 H LEU A 58 13.709 12.931 3.656 1.00 0.00 H new ATOM 0 HA LEU A 58 15.707 10.784 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.666 10.127 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.625 11.572 1.836 1.00 0.00 H new ATOM 0 HG LEU A 58 15.651 10.751 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.268 8.377 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.552 9.286 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.132 8.222 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.448 9.032 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.242 8.902 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.403 10.419 -0.287 1.00 0.00 H new ATOM 883 N ASN A 59 17.512 11.766 2.506 1.00 0.00 N ATOM 884 CA ASN A 59 18.630 12.404 1.819 1.00 0.00 C ATOM 885 C ASN A 59 18.886 11.743 0.468 1.00 0.00 C ATOM 886 O ASN A 59 19.036 10.524 0.381 1.00 0.00 O ATOM 887 CB ASN A 59 19.892 12.335 2.681 1.00 0.00 C ATOM 888 CG ASN A 59 19.978 13.479 3.672 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.991 14.168 3.929 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.164 13.687 4.234 1.00 0.00 N ATOM 0 H ASN A 59 17.748 10.891 2.974 1.00 0.00 H new ATOM 0 HA ASN A 59 18.371 13.449 1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.909 11.388 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.771 12.350 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.283 14.443 4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.955 13.091 3.991 1.00 0.00 H new ATOM 897 N GLN A 60 18.935 12.555 -0.582 1.00 0.00 N ATOM 898 CA GLN A 60 19.173 12.049 -1.929 1.00 0.00 C ATOM 899 C GLN A 60 20.658 11.787 -2.157 1.00 0.00 C ATOM 900 O GLN A 60 21.031 10.922 -2.951 1.00 0.00 O ATOM 901 CB GLN A 60 18.652 13.042 -2.969 1.00 0.00 C ATOM 902 CG GLN A 60 17.155 12.942 -3.211 1.00 0.00 C ATOM 903 CD GLN A 60 16.755 13.403 -4.598 1.00 0.00 C ATOM 904 OE1 GLN A 60 17.589 13.870 -5.374 1.00 0.00 O ATOM 905 NE2 GLN A 60 15.472 13.275 -4.918 1.00 0.00 N ATOM 0 H GLN A 60 18.813 13.566 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 60 18.636 11.107 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.892 14.054 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.175 12.877 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.836 11.909 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.630 13.542 -2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.815 12.883 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.144 13.569 -5.838 1.00 0.00 H new ATOM 914 N ARG A 61 21.501 12.539 -1.457 1.00 0.00 N ATOM 915 CA ARG A 61 22.946 12.389 -1.585 1.00 0.00 C ATOM 916 C ARG A 61 23.397 11.021 -1.082 1.00 0.00 C ATOM 917 O ARG A 61 24.025 10.254 -1.812 1.00 0.00 O ATOM 918 CB ARG A 61 23.665 13.493 -0.808 1.00 0.00 C ATOM 919 CG ARG A 61 25.161 13.546 -1.070 1.00 0.00 C ATOM 920 CD ARG A 61 25.461 13.841 -2.532 1.00 0.00 C ATOM 921 NE ARG A 61 26.774 14.456 -2.708 1.00 0.00 N ATOM 922 CZ ARG A 61 27.138 15.106 -3.808 1.00 0.00 C ATOM 923 NH1 ARG A 61 26.294 15.226 -4.823 1.00 0.00 N ATOM 924 NH2 ARG A 61 28.351 15.639 -3.893 1.00 0.00 N ATOM 0 H ARG A 61 21.209 13.258 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 61 23.203 12.471 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.225 14.455 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.496 13.344 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 61 25.614 14.313 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 61 25.615 12.595 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 61 25.415 12.915 -3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.694 14.503 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 61 27.448 14.383 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 61 25.361 14.818 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 61 26.578 15.726 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 61 29.003 15.549 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 61 28.631 16.138 -4.737 1.00 0.00 H new ATOM 938 N THR A 62 23.072 10.721 0.172 1.00 0.00 N ATOM 939 CA THR A 62 23.445 9.447 0.774 1.00 0.00 C ATOM 940 C THR A 62 22.395 8.378 0.493 1.00 0.00 C ATOM 941 O THR A 62 22.703 7.320 -0.056 1.00 0.00 O ATOM 942 CB THR A 62 23.631 9.578 2.297 1.00 0.00 C ATOM 943 OG1 THR A 62 22.417 10.039 2.902 1.00 0.00 O ATOM 944 CG2 THR A 62 24.763 10.542 2.623 1.00 0.00 C ATOM 0 H THR A 62 22.551 11.343 0.790 1.00 0.00 H new ATOM 0 HA THR A 62 24.392 9.150 0.324 1.00 0.00 H new ATOM 0 HB THR A 62 23.885 8.595 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.544 10.118 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.876 10.618 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.691 10.174 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.534 11.525 2.212 1.00 0.00 H new ATOM 952 N GLY A 63 21.152 8.661 0.871 1.00 0.00 N ATOM 953 CA GLY A 63 20.075 7.713 0.650 1.00 0.00 C ATOM 954 C GLY A 63 19.626 7.038 1.931 1.00 0.00 C ATOM 955 O GLY A 63 19.179 5.891 1.913 1.00 0.00 O ATOM 0 H GLY A 63 20.872 9.530 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.228 8.229 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.403 6.955 -0.061 1.00 0.00 H new ATOM 959 N LYS A 64 19.745 7.749 3.046 1.00 0.00 N ATOM 960 CA LYS A 64 19.348 7.212 4.343 1.00 0.00 C ATOM 961 C LYS A 64 18.364 8.146 5.040 1.00 0.00 C ATOM 962 O LYS A 64 18.070 9.235 4.545 1.00 0.00 O ATOM 963 CB LYS A 64 20.579 6.998 5.228 1.00 0.00 C ATOM 964 CG LYS A 64 21.721 6.291 4.520 1.00 0.00 C ATOM 965 CD LYS A 64 22.871 6.001 5.470 1.00 0.00 C ATOM 966 CE LYS A 64 24.061 5.400 4.737 1.00 0.00 C ATOM 967 NZ LYS A 64 23.669 4.221 3.916 1.00 0.00 N ATOM 0 H LYS A 64 20.113 8.700 3.079 1.00 0.00 H new ATOM 0 HA LYS A 64 18.857 6.253 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.929 7.965 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.290 6.417 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.360 5.357 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.076 6.908 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.176 6.922 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.537 5.315 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.511 6.156 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.821 5.103 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.523 3.740 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.112 3.563 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.097 4.536 3.106 1.00 0.00 H new ATOM 981 N CYS A 65 17.860 7.714 6.191 1.00 0.00 N ATOM 982 CA CYS A 65 16.909 8.513 6.956 1.00 0.00 C ATOM 983 C CYS A 65 17.462 8.837 8.340 1.00 0.00 C ATOM 984 O CYS A 65 18.264 8.084 8.891 1.00 0.00 O ATOM 985 CB CYS A 65 15.578 7.771 7.086 1.00 0.00 C ATOM 986 SG CYS A 65 14.931 7.135 5.522 1.00 0.00 S ATOM 0 H CYS A 65 18.094 6.816 6.615 1.00 0.00 H new ATOM 0 HA CYS A 65 16.744 9.449 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.704 6.940 7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.841 8.443 7.525 1.00 0.00 H new ATOM 0 HG CYS A 65 13.805 6.522 5.736 1.00 0.00 H new ATOM 992 N SER A 66 17.028 9.964 8.895 1.00 0.00 N ATOM 993 CA SER A 66 17.483 10.392 10.213 1.00 0.00 C ATOM 994 C SER A 66 16.533 11.428 10.806 1.00 0.00 C ATOM 995 O SER A 66 15.619 11.904 10.135 1.00 0.00 O ATOM 996 CB SER A 66 18.896 10.971 10.124 1.00 0.00 C ATOM 997 OG SER A 66 19.873 9.946 10.197 1.00 0.00 O ATOM 0 H SER A 66 16.362 10.597 8.453 1.00 0.00 H new ATOM 0 HA SER A 66 17.495 9.520 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.009 11.520 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.052 11.684 10.933 1.00 0.00 H new ATOM 0 HG SER A 66 19.492 9.106 9.866 1.00 0.00 H new ATOM 1003 N ALA A 67 16.758 11.772 12.070 1.00 0.00 N ATOM 1004 CA ALA A 67 15.924 12.752 12.755 1.00 0.00 C ATOM 1005 C ALA A 67 16.563 14.136 12.719 1.00 0.00 C ATOM 1006 O ALA A 67 17.722 14.305 13.100 1.00 0.00 O ATOM 1007 CB ALA A 67 15.674 12.321 14.192 1.00 0.00 C ATOM 0 H ALA A 67 17.511 11.387 12.640 1.00 0.00 H new ATOM 0 HA ALA A 67 14.969 12.807 12.233 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.050 13.062 14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.167 11.356 14.199 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.625 12.235 14.717 1.00 0.00 H new ATOM 1013 N CYS A 68 15.801 15.123 12.260 1.00 0.00 N ATOM 1014 CA CYS A 68 16.294 16.493 12.174 1.00 0.00 C ATOM 1015 C CYS A 68 15.485 17.420 13.075 1.00 0.00 C ATOM 1016 O CYS A 68 14.280 17.239 13.245 1.00 0.00 O ATOM 1017 CB CYS A 68 16.236 16.988 10.728 1.00 0.00 C ATOM 1018 SG CYS A 68 17.510 18.202 10.311 1.00 0.00 S ATOM 0 H CYS A 68 14.840 15.000 11.942 1.00 0.00 H new ATOM 0 HA CYS A 68 17.330 16.502 12.512 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.331 16.133 10.059 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.256 17.429 10.545 1.00 0.00 H new ATOM 0 HG CYS A 68 18.657 17.806 10.778 1.00 0.00 H new ATOM 1024 N ASN A 69 16.156 18.412 13.650 1.00 0.00 N ATOM 1025 CA ASN A 69 15.499 19.367 14.536 1.00 0.00 C ATOM 1026 C ASN A 69 14.715 18.645 15.627 1.00 0.00 C ATOM 1027 O ASN A 69 13.600 19.039 15.969 1.00 0.00 O ATOM 1028 CB ASN A 69 14.563 20.276 13.736 1.00 0.00 C ATOM 1029 CG ASN A 69 15.244 20.885 12.525 1.00 0.00 C ATOM 1030 OD1 ASN A 69 16.279 21.541 12.646 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.665 20.670 11.350 1.00 0.00 N ATOM 0 H ASN A 69 17.154 18.576 13.519 1.00 0.00 H new ATOM 0 HA ASN A 69 16.269 19.976 15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.695 19.703 13.411 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.195 21.073 14.382 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.078 21.055 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.808 20.120 11.297 1.00 0.00 H new ATOM 1038 N VAL A 70 15.306 17.587 16.172 1.00 0.00 N ATOM 1039 CA VAL A 70 14.665 16.810 17.226 1.00 0.00 C ATOM 1040 C VAL A 70 14.347 17.683 18.435 1.00 0.00 C ATOM 1041 O VAL A 70 15.228 18.344 18.985 1.00 0.00 O ATOM 1042 CB VAL A 70 15.551 15.634 17.675 1.00 0.00 C ATOM 1043 CG1 VAL A 70 14.793 14.730 18.636 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.045 14.848 16.469 1.00 0.00 C ATOM 0 H VAL A 70 16.229 17.248 15.901 1.00 0.00 H new ATOM 0 HA VAL A 70 13.737 16.417 16.810 1.00 0.00 H new ATOM 0 HB VAL A 70 16.418 16.035 18.199 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.436 13.905 18.942 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.494 15.302 19.514 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.906 14.335 18.141 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.670 14.020 16.805 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.192 14.457 15.915 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.628 15.503 15.822 1.00 0.00 H new ATOM 1054 N TRP A 71 13.083 17.680 18.844 1.00 0.00 N ATOM 1055 CA TRP A 71 12.649 18.472 19.989 1.00 0.00 C ATOM 1056 C TRP A 71 12.072 17.579 21.081 1.00 0.00 C ATOM 1057 O TRP A 71 11.160 16.790 20.833 1.00 0.00 O ATOM 1058 CB TRP A 71 11.607 19.505 19.555 1.00 0.00 C ATOM 1059 CG TRP A 71 12.209 20.800 19.099 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.344 20.960 18.357 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.708 22.116 19.357 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.579 22.296 18.139 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.589 23.026 18.741 1.00 0.00 C ATOM 1064 CE3 TRP A 71 10.599 22.614 20.047 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.394 24.404 18.797 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.408 23.982 20.102 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.301 24.864 19.479 1.00 0.00 C ATOM 0 H TRP A 71 12.341 17.138 18.400 1.00 0.00 H new ATOM 0 HA TRP A 71 13.519 18.990 20.391 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.006 19.087 18.747 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.931 19.700 20.387 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.966 20.155 17.995 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.364 22.682 17.614 1.00 0.00 H new ATOM 0 HE3 TRP A 71 9.904 21.942 20.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.082 25.086 18.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.556 24.378 20.634 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.123 25.928 19.538 1.00 0.00 H new ATOM 1078 N ARG A 72 12.609 17.708 22.290 1.00 0.00 N ATOM 1079 CA ARG A 72 12.147 16.910 23.420 1.00 0.00 C ATOM 1080 C ARG A 72 10.895 17.521 24.041 1.00 0.00 C ATOM 1081 O ARG A 72 10.848 18.720 24.319 1.00 0.00 O ATOM 1082 CB ARG A 72 13.249 16.796 24.475 1.00 0.00 C ATOM 1083 CG ARG A 72 13.144 15.546 25.333 1.00 0.00 C ATOM 1084 CD ARG A 72 13.790 15.749 26.694 1.00 0.00 C ATOM 1085 NE ARG A 72 13.041 16.691 27.521 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.535 17.265 28.612 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.771 16.995 29.006 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.791 18.113 29.312 1.00 0.00 N ATOM 0 H ARG A 72 13.364 18.357 22.512 1.00 0.00 H new ATOM 0 HA ARG A 72 11.900 15.914 23.053 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.219 16.804 23.977 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.214 17.674 25.121 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.095 15.280 25.463 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.624 14.711 24.822 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.859 14.791 27.209 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.808 16.114 26.561 1.00 0.00 H new ATOM 0 HE ARG A 72 12.086 16.921 27.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.346 16.345 28.471 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.147 17.438 29.844 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.839 18.324 29.012 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.171 18.553 30.150 1.00 0.00 H new ATOM 1102 N VAL A 73 9.880 16.689 24.255 1.00 0.00 N ATOM 1103 CA VAL A 73 8.627 17.147 24.844 1.00 0.00 C ATOM 1104 C VAL A 73 8.358 16.451 26.173 1.00 0.00 C ATOM 1105 O VAL A 73 7.718 17.013 27.061 1.00 0.00 O ATOM 1106 CB VAL A 73 7.439 16.898 23.897 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.679 17.564 22.551 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.197 15.406 23.726 1.00 0.00 C ATOM 0 H VAL A 73 9.901 15.695 24.029 1.00 0.00 H new ATOM 0 HA VAL A 73 8.729 18.219 25.013 1.00 0.00 H new ATOM 0 HB VAL A 73 6.546 17.340 24.340 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.828 17.377 21.896 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.798 18.638 22.693 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.583 17.155 22.099 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.354 15.249 23.054 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.088 14.939 23.306 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.976 14.960 24.696 1.00 0.00 H new ATOM 1118 N SER A 74 8.852 15.224 26.303 1.00 0.00 N ATOM 1119 CA SER A 74 8.662 14.449 27.524 1.00 0.00 C ATOM 1120 C SER A 74 9.507 15.013 28.663 1.00 0.00 C ATOM 1121 O SER A 74 10.563 15.601 28.435 1.00 0.00 O ATOM 1122 CB SER A 74 9.024 12.982 27.283 1.00 0.00 C ATOM 1123 OG SER A 74 8.987 12.243 28.492 1.00 0.00 O ATOM 0 H SER A 74 9.387 14.745 25.578 1.00 0.00 H new ATOM 0 HA SER A 74 7.612 14.515 27.807 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.329 12.546 26.565 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.019 12.917 26.844 1.00 0.00 H new ATOM 0 HG SER A 74 9.220 11.308 28.311 1.00 0.00 H new