USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 263 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 9 ASN : amide:sc= 0.0904 X(o=0.3,f=-0.12) USER MOD Set 1.2: A 10 SER OG : rot 180:sc= 0.212 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 47:sc= 0.774 USER MOD Single : A 18 CYS SG : rot 101:sc= -0.0563 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -110:sc= -0.946 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 28.576 29.807 28.414 1.00 0.00 N ATOM 45 CA GLU A 4 27.336 29.816 27.634 1.00 0.00 C ATOM 46 C GLU A 4 27.124 28.509 26.814 1.00 0.00 C ATOM 47 O GLU A 4 28.077 27.768 26.541 1.00 0.00 O ATOM 48 CB GLU A 4 27.352 31.057 26.716 1.00 0.00 C ATOM 49 CG GLU A 4 27.041 32.385 27.433 1.00 0.00 C ATOM 50 CD GLU A 4 28.207 33.073 28.172 1.00 0.00 C ATOM 51 OE1 GLU A 4 29.367 32.604 28.138 1.00 0.00 O ATOM 52 OE2 GLU A 4 27.964 34.162 28.753 1.00 0.00 O ATOM 0 HA GLU A 4 26.493 29.864 28.323 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.333 31.133 26.246 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.626 30.911 25.916 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.648 33.084 26.695 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.244 32.202 28.154 1.00 0.00 H new ATOM 59 N PRO A 5 25.876 28.196 26.397 1.00 0.00 N ATOM 60 CA PRO A 5 25.584 27.050 25.527 1.00 0.00 C ATOM 61 C PRO A 5 26.040 27.272 24.072 1.00 0.00 C ATOM 62 O PRO A 5 26.273 28.400 23.644 1.00 0.00 O ATOM 63 CB PRO A 5 24.067 26.856 25.623 1.00 0.00 C ATOM 64 CG PRO A 5 23.550 28.267 25.882 1.00 0.00 C ATOM 65 CD PRO A 5 24.638 28.875 26.765 1.00 0.00 C ATOM 0 HA PRO A 5 26.133 26.165 25.848 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.656 26.439 24.704 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.799 26.174 26.430 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.423 28.827 24.955 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.582 28.257 26.383 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.718 29.950 26.602 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.411 28.729 27.821 1.00 0.00 H new ATOM 73 N CYS A 6 26.117 26.190 23.293 1.00 0.00 N ATOM 74 CA CYS A 6 26.575 26.196 21.894 1.00 0.00 C ATOM 75 C CYS A 6 25.804 25.187 21.031 1.00 0.00 C ATOM 76 O CYS A 6 25.552 24.065 21.459 1.00 0.00 O ATOM 77 CB CYS A 6 28.077 25.886 21.834 1.00 0.00 C ATOM 78 SG CYS A 6 28.726 24.615 22.943 1.00 0.00 S ATOM 0 H CYS A 6 25.857 25.260 23.622 1.00 0.00 H new ATOM 0 HA CYS A 6 26.384 27.191 21.492 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.317 25.592 20.812 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.617 26.811 22.034 1.00 0.00 H new ATOM 83 N SER A 7 25.450 25.562 19.799 1.00 0.00 N ATOM 84 CA SER A 7 24.638 24.715 18.902 1.00 0.00 C ATOM 85 C SER A 7 25.423 23.543 18.281 1.00 0.00 C ATOM 86 O SER A 7 24.882 22.461 18.038 1.00 0.00 O ATOM 87 CB SER A 7 24.072 25.611 17.800 1.00 0.00 C ATOM 88 OG SER A 7 23.056 24.951 17.069 1.00 0.00 O ATOM 0 H SER A 7 25.714 26.458 19.390 1.00 0.00 H new ATOM 0 HA SER A 7 23.847 24.257 19.495 1.00 0.00 H new ATOM 0 HB2 SER A 7 23.671 26.523 18.241 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.873 25.909 17.124 1.00 0.00 H new ATOM 0 HG SER A 7 22.713 25.549 16.373 1.00 0.00 H new ATOM 94 N SER A 8 26.719 23.750 18.040 1.00 0.00 N ATOM 95 CA SER A 8 27.682 22.771 17.522 1.00 0.00 C ATOM 96 C SER A 8 29.088 23.112 18.031 1.00 0.00 C ATOM 97 O SER A 8 29.294 24.169 18.621 1.00 0.00 O ATOM 98 CB SER A 8 27.667 22.790 15.987 1.00 0.00 C ATOM 99 OG SER A 8 28.278 21.641 15.432 1.00 0.00 O ATOM 0 H SER A 8 27.152 24.658 18.210 1.00 0.00 H new ATOM 0 HA SER A 8 27.405 21.776 17.870 1.00 0.00 H new ATOM 0 HB2 SER A 8 26.637 22.857 15.636 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.183 23.682 15.631 1.00 0.00 H new ATOM 0 HG SER A 8 28.245 21.693 14.454 1.00 0.00 H new ATOM 105 N ASN A 9 30.069 22.254 17.750 1.00 0.00 N ATOM 106 CA ASN A 9 31.469 22.392 18.182 1.00 0.00 C ATOM 107 C ASN A 9 32.055 23.783 17.929 1.00 0.00 C ATOM 108 O ASN A 9 32.542 24.467 18.827 1.00 0.00 O ATOM 109 CB ASN A 9 32.367 21.355 17.462 1.00 0.00 C ATOM 110 CG ASN A 9 31.873 20.884 16.101 1.00 0.00 C ATOM 111 OD1 ASN A 9 31.043 19.998 16.012 1.00 0.00 O ATOM 112 ND2 ASN A 9 32.332 21.456 15.011 1.00 0.00 N ATOM 0 H ASN A 9 29.910 21.412 17.196 1.00 0.00 H new ATOM 0 HA ASN A 9 31.456 22.222 19.259 1.00 0.00 H new ATOM 0 HB2 ASN A 9 33.360 21.786 17.338 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.476 20.485 18.109 1.00 0.00 H new ATOM 0 HD21 ASN A 9 31.993 21.157 14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 9 33.028 22.199 15.079 1.00 0.00 H new ATOM 119 N SER A 10 32.013 24.190 16.665 1.00 0.00 N ATOM 120 CA SER A 10 32.630 25.416 16.176 1.00 0.00 C ATOM 121 C SER A 10 32.002 26.726 16.671 1.00 0.00 C ATOM 122 O SER A 10 32.552 27.790 16.413 1.00 0.00 O ATOM 123 CB SER A 10 32.747 25.332 14.659 1.00 0.00 C ATOM 124 OG SER A 10 33.407 24.140 14.257 1.00 0.00 O ATOM 0 H SER A 10 31.536 23.662 15.934 1.00 0.00 H new ATOM 0 HA SER A 10 33.624 25.473 16.620 1.00 0.00 H new ATOM 0 HB2 SER A 10 31.753 25.368 14.213 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.295 26.197 14.286 1.00 0.00 H new ATOM 0 HG SER A 10 33.466 24.113 13.279 1.00 0.00 H new ATOM 130 N ASP A 11 30.914 26.661 17.440 1.00 0.00 N ATOM 131 CA ASP A 11 30.264 27.809 18.087 1.00 0.00 C ATOM 132 C ASP A 11 31.033 28.294 19.345 1.00 0.00 C ATOM 133 O ASP A 11 30.686 29.324 19.919 1.00 0.00 O ATOM 134 CB ASP A 11 28.830 27.370 18.456 1.00 0.00 C ATOM 135 CG ASP A 11 27.731 28.437 18.396 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.007 29.613 18.056 1.00 0.00 O ATOM 137 OD2 ASP A 11 26.558 28.031 18.602 1.00 0.00 O ATOM 0 H ASP A 11 30.442 25.779 17.638 1.00 0.00 H new ATOM 0 HA ASP A 11 30.254 28.656 17.402 1.00 0.00 H new ATOM 0 HB2 ASP A 11 28.545 26.555 17.791 1.00 0.00 H new ATOM 0 HB3 ASP A 11 28.851 26.964 19.467 1.00 0.00 H new ATOM 142 N CYS A 12 32.078 27.570 19.783 1.00 0.00 N ATOM 143 CA CYS A 12 32.848 27.838 21.015 1.00 0.00 C ATOM 144 C CYS A 12 34.355 27.545 20.839 1.00 0.00 C ATOM 145 O CYS A 12 35.145 27.608 21.777 1.00 0.00 O ATOM 146 CB CYS A 12 32.259 27.007 22.172 1.00 0.00 C ATOM 147 SG CYS A 12 32.365 27.752 23.824 1.00 0.00 S ATOM 0 H CYS A 12 32.423 26.756 19.274 1.00 0.00 H new ATOM 0 HA CYS A 12 32.764 28.900 21.245 1.00 0.00 H new ATOM 0 HB2 CYS A 12 31.210 26.808 21.952 1.00 0.00 H new ATOM 0 HB3 CYS A 12 32.768 26.044 22.197 1.00 0.00 H new ATOM 152 N ILE A 13 34.778 27.212 19.620 1.00 0.00 N ATOM 153 CA ILE A 13 36.152 26.955 19.225 1.00 0.00 C ATOM 154 C ILE A 13 36.973 28.258 19.220 1.00 0.00 C ATOM 155 O ILE A 13 36.443 29.363 19.102 1.00 0.00 O ATOM 156 CB ILE A 13 36.041 26.273 17.849 1.00 0.00 C ATOM 157 CG1 ILE A 13 35.932 24.769 18.129 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.203 26.532 16.919 1.00 0.00 C ATOM 159 CD1 ILE A 13 35.945 23.839 16.922 1.00 0.00 C ATOM 0 H ILE A 13 34.128 27.110 18.840 1.00 0.00 H new ATOM 0 HA ILE A 13 36.691 26.310 19.919 1.00 0.00 H new ATOM 0 HB ILE A 13 35.175 26.685 17.331 1.00 0.00 H new ATOM 0 HG12 ILE A 13 36.756 24.486 18.784 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.010 24.593 18.682 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.037 26.012 15.976 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.289 27.603 16.733 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.123 26.169 17.376 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.862 22.805 17.258 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.105 24.077 16.270 1.00 0.00 H new ATOM 0 HD13 ILE A 13 36.878 23.968 16.373 1.00 0.00 H new ATOM 171 N GLY A 14 38.297 28.130 19.309 1.00 0.00 N ATOM 172 CA GLY A 14 39.253 29.235 19.198 1.00 0.00 C ATOM 173 C GLY A 14 39.385 30.093 20.456 1.00 0.00 C ATOM 174 O GLY A 14 40.512 30.322 20.899 1.00 0.00 O ATOM 0 H GLY A 14 38.748 27.229 19.465 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.232 28.827 18.949 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.954 29.875 18.368 1.00 0.00 H new ATOM 178 N ILE A 15 38.262 30.529 21.043 1.00 0.00 N ATOM 179 CA ILE A 15 38.195 31.336 22.284 1.00 0.00 C ATOM 180 C ILE A 15 38.952 30.676 23.442 1.00 0.00 C ATOM 181 O ILE A 15 39.536 31.330 24.303 1.00 0.00 O ATOM 182 CB ILE A 15 36.748 31.792 22.590 1.00 0.00 C ATOM 183 CG1 ILE A 15 35.641 30.731 22.734 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.300 32.640 21.397 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.833 29.787 23.906 1.00 0.00 C ATOM 0 H ILE A 15 37.339 30.326 20.659 1.00 0.00 H new ATOM 0 HA ILE A 15 38.737 32.268 22.126 1.00 0.00 H new ATOM 0 HB ILE A 15 36.833 32.267 23.567 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.681 31.236 22.842 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.592 30.146 21.815 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.281 32.989 21.561 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.965 33.497 21.290 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.335 32.038 20.489 1.00 0.00 H new ATOM 0 HD11 ILE A 15 35.011 29.072 23.936 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.776 29.252 23.791 1.00 0.00 H new ATOM 0 HD13 ILE A 15 35.851 30.358 24.834 1.00 0.00 H new ATOM 197 N THR A 16 38.961 29.352 23.434 1.00 0.00 N ATOM 198 CA THR A 16 39.695 28.420 24.272 1.00 0.00 C ATOM 199 C THR A 16 39.649 27.063 23.541 1.00 0.00 C ATOM 200 O THR A 16 38.941 26.900 22.544 1.00 0.00 O ATOM 201 CB THR A 16 39.111 28.456 25.684 1.00 0.00 C ATOM 202 OG1 THR A 16 39.789 29.456 26.407 1.00 0.00 O ATOM 203 CG2 THR A 16 39.205 27.173 26.477 1.00 0.00 C ATOM 0 H THR A 16 38.385 28.848 22.760 1.00 0.00 H new ATOM 0 HA THR A 16 40.747 28.666 24.418 1.00 0.00 H new ATOM 0 HB THR A 16 38.045 28.643 25.552 1.00 0.00 H new ATOM 0 HG1 THR A 16 39.845 30.271 25.865 1.00 0.00 H new ATOM 0 HG21 THR A 16 38.759 27.320 27.461 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.672 26.381 25.951 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.252 26.892 26.592 1.00 0.00 H new ATOM 211 N LEU A 17 40.385 26.063 24.019 1.00 0.00 N ATOM 212 CA LEU A 17 40.408 24.671 23.530 1.00 0.00 C ATOM 213 C LEU A 17 39.078 23.904 23.762 1.00 0.00 C ATOM 214 O LEU A 17 39.038 22.680 23.703 1.00 0.00 O ATOM 215 CB LEU A 17 41.576 23.927 24.219 1.00 0.00 C ATOM 216 CG LEU A 17 42.907 24.667 24.361 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.822 23.674 25.059 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.479 25.034 22.998 1.00 0.00 C ATOM 0 H LEU A 17 41.021 26.202 24.804 1.00 0.00 H new ATOM 0 HA LEU A 17 40.545 24.708 22.449 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.246 23.636 25.216 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.761 23.007 23.664 1.00 0.00 H new ATOM 0 HG LEU A 17 42.795 25.601 24.912 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.805 24.123 25.203 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.399 23.409 26.028 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.919 22.777 24.448 1.00 0.00 H new ATOM 0 HD21 LEU A 17 44.425 25.559 23.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.645 24.127 22.417 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.777 25.679 22.470 1.00 0.00 H new ATOM 230 N CYS A 18 37.960 24.601 23.964 1.00 0.00 N ATOM 231 CA CYS A 18 36.648 24.082 24.344 1.00 0.00 C ATOM 232 C CYS A 18 35.762 23.728 23.142 1.00 0.00 C ATOM 233 O CYS A 18 34.584 24.057 23.056 1.00 0.00 O ATOM 234 CB CYS A 18 36.047 25.040 25.382 1.00 0.00 C ATOM 235 SG CYS A 18 35.646 26.726 24.932 1.00 0.00 S ATOM 0 H CYS A 18 37.948 25.615 23.859 1.00 0.00 H new ATOM 0 HA CYS A 18 36.740 23.107 24.822 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.132 24.579 25.754 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.744 25.087 26.219 1.00 0.00 H new ATOM 0 HG CYS A 18 34.369 26.824 24.709 1.00 0.00 H new ATOM 240 N GLN A 19 36.361 22.985 22.209 1.00 0.00 N ATOM 241 CA GLN A 19 35.715 22.422 21.018 1.00 0.00 C ATOM 242 C GLN A 19 34.619 21.380 21.317 1.00 0.00 C ATOM 243 O GLN A 19 33.885 20.973 20.414 1.00 0.00 O ATOM 244 CB GLN A 19 36.780 21.831 20.075 1.00 0.00 C ATOM 245 CG GLN A 19 37.966 21.088 20.684 1.00 0.00 C ATOM 246 CD GLN A 19 38.939 20.590 19.608 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.004 19.414 19.272 1.00 0.00 O ATOM 248 NE2 GLN A 19 39.712 21.482 19.013 1.00 0.00 N ATOM 0 H GLN A 19 37.352 22.748 22.264 1.00 0.00 H new ATOM 0 HA GLN A 19 35.199 23.252 20.535 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.275 21.146 19.394 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.176 22.647 19.471 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.493 21.748 21.374 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.604 20.241 21.267 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.663 22.463 19.288 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.357 21.189 18.279 1.00 0.00 H new ATOM 257 N PHE A 20 34.479 20.955 22.573 1.00 0.00 N ATOM 258 CA PHE A 20 33.583 19.887 22.992 1.00 0.00 C ATOM 259 C PHE A 20 32.275 20.395 23.608 1.00 0.00 C ATOM 260 O PHE A 20 32.066 20.404 24.820 1.00 0.00 O ATOM 261 CB PHE A 20 34.374 18.925 23.876 1.00 0.00 C ATOM 262 CG PHE A 20 35.578 18.331 23.162 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.380 17.368 22.157 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.888 18.757 23.452 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.472 16.827 21.463 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.984 18.211 22.764 1.00 0.00 C ATOM 267 CZ PHE A 20 37.780 17.249 21.762 1.00 0.00 C ATOM 0 H PHE A 20 35.004 21.360 23.348 1.00 0.00 H new ATOM 0 HA PHE A 20 33.230 19.338 22.119 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.709 19.451 24.770 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.719 18.119 24.207 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.379 17.042 21.917 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.052 19.509 24.209 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.308 16.084 20.697 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.986 18.532 23.006 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.621 16.836 21.225 1.00 0.00 H new ATOM 277 N CYS A 21 31.357 20.788 22.727 1.00 0.00 N ATOM 278 CA CYS A 21 29.984 21.205 23.033 1.00 0.00 C ATOM 279 C CYS A 21 29.107 20.014 23.491 1.00 0.00 C ATOM 280 O CYS A 21 28.168 19.605 22.807 1.00 0.00 O ATOM 281 CB CYS A 21 29.458 21.954 21.800 1.00 0.00 C ATOM 282 SG CYS A 21 30.089 23.649 21.783 1.00 0.00 S ATOM 0 H CYS A 21 31.558 20.827 21.728 1.00 0.00 H new ATOM 0 HA CYS A 21 29.952 21.881 23.888 1.00 0.00 H new ATOM 0 HB2 CYS A 21 29.765 21.435 20.892 1.00 0.00 H new ATOM 0 HB3 CYS A 21 28.368 21.964 21.809 1.00 0.00 H new ATOM 287 N LYS A 22 29.458 19.430 24.645 1.00 0.00 N ATOM 288 CA LYS A 22 28.876 18.224 25.251 1.00 0.00 C ATOM 289 C LYS A 22 27.382 18.372 25.562 1.00 0.00 C ATOM 290 O LYS A 22 26.908 19.412 26.024 1.00 0.00 O ATOM 291 CB LYS A 22 29.758 17.764 26.439 1.00 0.00 C ATOM 292 CG LYS A 22 29.344 18.171 27.850 1.00 0.00 C ATOM 293 CD LYS A 22 28.408 17.183 28.543 1.00 0.00 C ATOM 294 CE LYS A 22 29.083 15.861 28.928 1.00 0.00 C ATOM 295 NZ LYS A 22 30.042 15.985 30.052 1.00 0.00 N ATOM 0 H LYS A 22 30.208 19.814 25.220 1.00 0.00 H new ATOM 0 HA LYS A 22 28.888 17.413 24.523 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.813 16.676 26.410 1.00 0.00 H new ATOM 0 HB3 LYS A 22 30.767 18.139 26.268 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.241 18.291 28.458 1.00 0.00 H new ATOM 0 HG3 LYS A 22 28.856 19.145 27.806 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.003 17.649 29.441 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.565 16.972 27.885 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.315 15.136 29.196 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.606 15.464 28.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.459 15.055 30.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.796 16.653 29.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.545 16.335 30.896 1.00 0.00 H new ATOM 309 N GLU A 23 26.651 17.285 25.340 1.00 0.00 N ATOM 310 CA GLU A 23 25.205 17.180 25.548 1.00 0.00 C ATOM 311 C GLU A 23 24.901 16.612 26.942 1.00 0.00 C ATOM 312 O GLU A 23 25.305 15.496 27.269 1.00 0.00 O ATOM 313 CB GLU A 23 24.542 16.369 24.413 1.00 0.00 C ATOM 314 CG GLU A 23 23.312 17.075 23.863 1.00 0.00 C ATOM 315 CD GLU A 23 22.722 16.345 22.642 1.00 0.00 C ATOM 316 OE1 GLU A 23 22.122 15.261 22.806 1.00 0.00 O ATOM 317 OE2 GLU A 23 22.894 16.854 21.509 1.00 0.00 O ATOM 0 H GLU A 23 27.062 16.417 24.997 1.00 0.00 H new ATOM 0 HA GLU A 23 24.769 18.178 25.511 1.00 0.00 H new ATOM 0 HB2 GLU A 23 25.262 16.212 23.609 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.260 15.384 24.786 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.555 17.144 24.644 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.575 18.095 23.583 1.00 0.00 H new ATOM 324 N LYS A 24 24.251 17.407 27.793 1.00 0.00 N ATOM 325 CA LYS A 24 23.817 17.088 29.163 1.00 0.00 C ATOM 326 C LYS A 24 22.476 17.754 29.460 1.00 0.00 C ATOM 327 O LYS A 24 21.918 18.412 28.593 1.00 0.00 O ATOM 328 CB LYS A 24 24.919 17.524 30.143 1.00 0.00 C ATOM 329 CG LYS A 24 25.170 19.045 30.167 1.00 0.00 C ATOM 330 CD LYS A 24 25.830 19.554 31.460 1.00 0.00 C ATOM 331 CE LYS A 24 27.353 19.374 31.514 1.00 0.00 C ATOM 332 NZ LYS A 24 27.880 19.828 32.830 1.00 0.00 N ATOM 0 H LYS A 24 23.994 18.358 27.529 1.00 0.00 H new ATOM 0 HA LYS A 24 23.665 16.015 29.276 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.650 17.195 31.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.847 17.017 29.879 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.803 19.311 29.320 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.220 19.561 30.030 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.598 20.612 31.578 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.386 19.034 32.308 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.608 18.326 31.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.822 19.942 30.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.912 19.701 32.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.652 20.833 32.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.445 19.267 33.590 1.00 0.00 H new ATOM 346 N THR A 25 21.964 17.607 30.678 1.00 0.00 N ATOM 347 CA THR A 25 20.706 18.239 31.090 1.00 0.00 C ATOM 348 C THR A 25 20.795 18.923 32.451 1.00 0.00 C ATOM 349 O THR A 25 21.759 18.789 33.204 1.00 0.00 O ATOM 350 CB THR A 25 19.528 17.276 30.953 1.00 0.00 C ATOM 351 OG1 THR A 25 18.289 17.807 31.306 1.00 0.00 O ATOM 352 CG2 THR A 25 19.622 16.098 31.850 1.00 0.00 C ATOM 0 H THR A 25 22.405 17.049 31.409 1.00 0.00 H new ATOM 0 HA THR A 25 20.513 19.056 30.395 1.00 0.00 H new ATOM 0 HB THR A 25 19.589 17.033 29.892 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.980 17.391 32.138 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.753 15.457 31.701 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.529 15.539 31.622 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.652 16.432 32.887 1.00 0.00 H new ATOM 360 N ASP A 26 19.757 19.702 32.701 1.00 0.00 N ATOM 361 CA ASP A 26 19.400 20.462 33.891 1.00 0.00 C ATOM 362 C ASP A 26 18.901 19.536 35.025 1.00 0.00 C ATOM 363 O ASP A 26 19.542 18.533 35.345 1.00 0.00 O ATOM 364 CB ASP A 26 18.372 21.515 33.422 1.00 0.00 C ATOM 365 CG ASP A 26 17.124 20.924 32.763 1.00 0.00 C ATOM 366 OD1 ASP A 26 16.884 19.694 32.891 1.00 0.00 O ATOM 367 OD2 ASP A 26 16.401 21.713 32.144 1.00 0.00 O ATOM 0 H ASP A 26 19.050 19.834 31.978 1.00 0.00 H new ATOM 0 HA ASP A 26 20.256 20.968 34.338 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.067 22.115 34.279 1.00 0.00 H new ATOM 0 HB3 ASP A 26 18.856 22.190 32.717 1.00 0.00 H new ATOM 372 N GLN A 27 17.790 19.891 35.672 1.00 0.00 N ATOM 373 CA GLN A 27 17.077 19.119 36.695 1.00 0.00 C ATOM 374 C GLN A 27 15.724 18.557 36.200 1.00 0.00 C ATOM 375 O GLN A 27 15.092 17.762 36.890 1.00 0.00 O ATOM 376 CB GLN A 27 16.859 20.048 37.898 1.00 0.00 C ATOM 377 CG GLN A 27 15.929 21.234 37.581 1.00 0.00 C ATOM 378 CD GLN A 27 15.604 22.070 38.814 1.00 0.00 C ATOM 379 OE1 GLN A 27 14.509 22.042 39.349 1.00 0.00 O ATOM 380 NE2 GLN A 27 16.534 22.846 39.324 1.00 0.00 N ATOM 0 H GLN A 27 17.333 20.783 35.484 1.00 0.00 H new ATOM 0 HA GLN A 27 17.678 18.249 36.960 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.437 19.473 38.722 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.823 20.429 38.235 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.399 21.869 36.830 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.003 20.858 37.147 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.458 22.886 38.893 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.332 23.409 40.151 1.00 0.00 H new ATOM 389 N TYR A 28 15.269 19.004 35.028 1.00 0.00 N ATOM 390 CA TYR A 28 13.984 18.716 34.394 1.00 0.00 C ATOM 391 C TYR A 28 14.074 17.528 33.426 1.00 0.00 C ATOM 392 O TYR A 28 13.079 16.830 33.220 1.00 0.00 O ATOM 393 CB TYR A 28 13.582 19.973 33.601 1.00 0.00 C ATOM 394 CG TYR A 28 13.367 21.260 34.375 1.00 0.00 C ATOM 395 CD1 TYR A 28 12.791 21.288 35.661 1.00 0.00 C ATOM 396 CD2 TYR A 28 13.774 22.461 33.772 1.00 0.00 C ATOM 397 CE1 TYR A 28 12.662 22.512 36.351 1.00 0.00 C ATOM 398 CE2 TYR A 28 13.639 23.686 34.448 1.00 0.00 C ATOM 399 CZ TYR A 28 13.090 23.716 35.747 1.00 0.00 C ATOM 400 OH TYR A 28 12.982 24.899 36.410 1.00 0.00 O ATOM 0 H TYR A 28 15.836 19.627 34.453 1.00 0.00 H new ATOM 0 HA TYR A 28 13.254 18.458 35.161 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.353 20.157 32.853 1.00 0.00 H new ATOM 0 HB3 TYR A 28 12.661 19.749 33.062 1.00 0.00 H new ATOM 0 HD1 TYR A 28 12.448 20.372 36.119 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.195 22.443 32.778 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.235 22.529 37.343 1.00 0.00 H new ATOM 0 HE2 TYR A 28 13.955 24.603 33.973 1.00 0.00 H new ATOM 0 HH TYR A 28 13.325 25.623 35.846 1.00 0.00 H new ATOM 410 N GLY A 29 15.254 17.303 32.836 1.00 0.00 N ATOM 411 CA GLY A 29 15.514 16.286 31.807 1.00 0.00 C ATOM 412 C GLY A 29 15.693 16.856 30.391 1.00 0.00 C ATOM 413 O GLY A 29 15.822 16.091 29.428 1.00 0.00 O ATOM 0 H GLY A 29 16.086 17.844 33.070 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.411 15.730 32.079 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.689 15.574 31.799 1.00 0.00 H new ATOM 417 N LEU A 30 15.732 18.186 30.245 1.00 0.00 N ATOM 418 CA LEU A 30 15.955 18.876 28.978 1.00 0.00 C ATOM 419 C LEU A 30 17.417 18.783 28.612 1.00 0.00 C ATOM 420 O LEU A 30 18.281 19.501 29.101 1.00 0.00 O ATOM 421 CB LEU A 30 15.649 20.360 29.053 1.00 0.00 C ATOM 422 CG LEU A 30 14.186 20.760 29.047 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.614 20.239 30.319 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.201 22.259 29.165 1.00 0.00 C ATOM 0 H LEU A 30 15.605 18.826 31.029 1.00 0.00 H new ATOM 0 HA LEU A 30 15.296 18.399 28.253 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.105 20.755 29.961 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.138 20.850 28.211 1.00 0.00 H new ATOM 0 HG LEU A 30 13.637 20.404 28.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.556 20.496 30.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.726 19.155 30.351 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.140 20.683 31.164 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.178 22.634 29.168 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.696 22.546 30.093 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.741 22.685 28.319 1.00 0.00 H new ATOM 436 N THR A 31 17.682 17.899 27.686 1.00 0.00 N ATOM 437 CA THR A 31 19.017 17.728 27.176 1.00 0.00 C ATOM 438 C THR A 31 19.320 18.846 26.175 1.00 0.00 C ATOM 439 O THR A 31 18.571 19.095 25.223 1.00 0.00 O ATOM 440 CB THR A 31 19.215 16.334 26.600 1.00 0.00 C ATOM 441 OG1 THR A 31 19.146 15.382 27.642 1.00 0.00 O ATOM 442 CG2 THR A 31 20.596 16.320 25.986 1.00 0.00 C ATOM 0 H THR A 31 16.986 17.282 27.267 1.00 0.00 H new ATOM 0 HA THR A 31 19.737 17.809 27.990 1.00 0.00 H new ATOM 0 HB THR A 31 18.451 16.091 25.862 1.00 0.00 H new ATOM 0 HG1 THR A 31 19.272 14.483 27.273 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.793 15.338 25.555 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.654 17.078 25.205 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.338 16.534 26.755 1.00 0.00 H new ATOM 450 N TYR A 32 20.444 19.504 26.416 1.00 0.00 N ATOM 451 CA TYR A 32 20.981 20.642 25.694 1.00 0.00 C ATOM 452 C TYR A 32 22.488 20.467 25.437 1.00 0.00 C ATOM 453 O TYR A 32 23.163 19.663 26.079 1.00 0.00 O ATOM 454 CB TYR A 32 20.648 21.911 26.488 1.00 0.00 C ATOM 455 CG TYR A 32 20.783 21.813 27.996 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.038 21.557 28.545 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.676 21.942 28.860 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.238 21.684 29.934 1.00 0.00 C ATOM 459 CE2 TYR A 32 19.826 21.954 30.239 1.00 0.00 C ATOM 460 CZ TYR A 32 21.140 21.937 30.784 1.00 0.00 C ATOM 461 OH TYR A 32 21.380 22.102 32.111 1.00 0.00 O ATOM 0 H TYR A 32 21.053 19.230 27.187 1.00 0.00 H new ATOM 0 HA TYR A 32 20.525 20.724 24.707 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.296 22.714 26.138 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.624 22.203 26.254 1.00 0.00 H new ATOM 0 HD1 TYR A 32 22.857 21.261 27.906 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.686 22.034 28.437 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.231 21.588 30.348 1.00 0.00 H new ATOM 0 HE2 TYR A 32 18.962 21.976 30.886 1.00 0.00 H new ATOM 0 HH TYR A 32 20.940 22.920 32.424 1.00 0.00 H new ATOM 471 N ARG A 33 23.033 21.265 24.516 1.00 0.00 N ATOM 472 CA ARG A 33 24.454 21.313 24.139 1.00 0.00 C ATOM 473 C ARG A 33 25.142 22.475 24.837 1.00 0.00 C ATOM 474 O ARG A 33 24.725 23.628 24.729 1.00 0.00 O ATOM 475 CB ARG A 33 24.583 21.430 22.619 1.00 0.00 C ATOM 476 CG ARG A 33 24.137 20.141 21.954 1.00 0.00 C ATOM 477 CD ARG A 33 23.986 20.323 20.449 1.00 0.00 C ATOM 478 NE ARG A 33 23.339 19.111 19.969 1.00 0.00 N ATOM 479 CZ ARG A 33 23.541 18.459 18.853 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.089 19.001 17.805 1.00 0.00 N ATOM 481 NH2 ARG A 33 23.221 17.204 18.801 1.00 0.00 N ATOM 0 H ARG A 33 22.470 21.929 23.985 1.00 0.00 H new ATOM 0 HA ARG A 33 24.943 20.392 24.456 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.978 22.262 22.258 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.617 21.648 22.350 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.863 19.354 22.157 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.188 19.817 22.381 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.387 21.204 20.219 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.956 20.464 19.972 1.00 0.00 H new ATOM 0 HE ARG A 33 22.631 18.716 20.588 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.383 19.977 17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.225 18.450 16.958 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.821 16.745 19.619 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.369 16.675 17.942 1.00 0.00 H new ATOM 495 N THR A 34 26.192 22.158 25.585 1.00 0.00 N ATOM 496 CA THR A 34 26.908 23.116 26.439 1.00 0.00 C ATOM 497 C THR A 34 28.415 23.048 26.255 1.00 0.00 C ATOM 498 O THR A 34 28.988 21.974 26.096 1.00 0.00 O ATOM 499 CB THR A 34 26.495 22.939 27.906 1.00 0.00 C ATOM 500 OG1 THR A 34 26.586 21.591 28.320 1.00 0.00 O ATOM 501 CG2 THR A 34 25.057 23.429 28.077 1.00 0.00 C ATOM 0 H THR A 34 26.581 21.216 25.620 1.00 0.00 H new ATOM 0 HA THR A 34 26.618 24.119 26.125 1.00 0.00 H new ATOM 0 HB THR A 34 27.177 23.521 28.526 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.317 21.518 29.259 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.753 23.308 29.117 1.00 0.00 H new ATOM 0 HG22 THR A 34 24.996 24.482 27.801 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.396 22.847 27.435 1.00 0.00 H new ATOM 509 N CYS A 35 29.049 24.218 26.250 1.00 0.00 N ATOM 510 CA CYS A 35 30.475 24.374 25.960 1.00 0.00 C ATOM 511 C CYS A 35 31.399 23.818 27.062 1.00 0.00 C ATOM 512 O CYS A 35 31.641 24.491 28.065 1.00 0.00 O ATOM 513 CB CYS A 35 30.742 25.850 25.642 1.00 0.00 C ATOM 514 SG CYS A 35 32.423 26.120 25.046 1.00 0.00 S ATOM 0 H CYS A 35 28.579 25.101 26.451 1.00 0.00 H new ATOM 0 HA CYS A 35 30.722 23.764 25.091 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.031 26.193 24.890 1.00 0.00 H new ATOM 0 HB3 CYS A 35 30.574 26.450 26.537 1.00 0.00 H new ATOM 519 N ASN A 36 31.925 22.597 26.877 1.00 0.00 N ATOM 520 CA ASN A 36 32.900 21.974 27.775 1.00 0.00 C ATOM 521 C ASN A 36 34.305 21.885 27.144 1.00 0.00 C ATOM 522 O ASN A 36 34.490 21.900 25.928 1.00 0.00 O ATOM 523 CB ASN A 36 32.390 20.587 28.241 1.00 0.00 C ATOM 524 CG ASN A 36 33.298 20.013 29.324 1.00 0.00 C ATOM 525 OD1 ASN A 36 33.633 20.686 30.285 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.811 18.813 29.180 1.00 0.00 N ATOM 0 H ASN A 36 31.677 22.007 26.083 1.00 0.00 H new ATOM 0 HA ASN A 36 33.002 22.615 28.651 1.00 0.00 H new ATOM 0 HB2 ASN A 36 31.373 20.678 28.623 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.352 19.904 27.392 1.00 0.00 H new ATOM 0 HD21 ASN A 36 34.478 18.458 29.865 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.543 18.236 28.383 1.00 0.00 H new ATOM 533 N LEU A 37 35.319 21.761 28.002 1.00 0.00 N ATOM 534 CA LEU A 37 36.713 21.544 27.643 1.00 0.00 C ATOM 535 C LEU A 37 37.012 20.175 27.006 1.00 0.00 C ATOM 536 O LEU A 37 38.043 20.046 26.359 1.00 0.00 O ATOM 537 CB LEU A 37 37.529 21.757 28.915 1.00 0.00 C ATOM 538 CG LEU A 37 38.826 22.523 28.688 1.00 0.00 C ATOM 539 CD1 LEU A 37 38.472 23.939 28.274 1.00 0.00 C ATOM 540 CD2 LEU A 37 39.451 22.571 30.061 1.00 0.00 C ATOM 0 H LEU A 37 35.180 21.812 29.011 1.00 0.00 H new ATOM 0 HA LEU A 37 36.982 22.251 26.859 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.921 22.297 29.641 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.762 20.787 29.354 1.00 0.00 H new ATOM 0 HG LEU A 37 39.472 22.078 27.931 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.386 24.508 28.105 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.886 23.914 27.355 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.889 24.414 29.063 1.00 0.00 H new ATOM 0 HD21 LEU A 37 40.399 23.106 30.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 38.780 23.086 30.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 39.626 21.556 30.417 1.00 0.00 H new ATOM 552 N LEU A 38 36.143 19.165 27.189 1.00 0.00 N ATOM 553 CA LEU A 38 36.349 17.775 26.742 1.00 0.00 C ATOM 554 C LEU A 38 35.067 16.998 26.352 1.00 0.00 C ATOM 555 O LEU A 38 33.973 17.396 26.768 1.00 0.00 O ATOM 556 CB LEU A 38 37.055 17.017 27.877 1.00 0.00 C ATOM 557 CG LEU A 38 38.484 17.430 28.205 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.895 16.639 29.439 1.00 0.00 C ATOM 559 CD2 LEU A 38 39.340 17.076 27.010 1.00 0.00 C ATOM 0 H LEU A 38 35.251 19.297 27.666 1.00 0.00 H new ATOM 0 HA LEU A 38 36.938 17.836 25.827 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.456 17.127 28.781 1.00 0.00 H new ATOM 0 HB3 LEU A 38 37.059 15.957 27.624 1.00 0.00 H new ATOM 0 HG LEU A 38 38.590 18.496 28.408 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.916 16.901 29.715 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.224 16.877 30.264 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.840 15.572 29.222 1.00 0.00 H new ATOM 0 HD21 LEU A 38 40.374 17.358 27.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.284 16.003 26.828 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.979 17.612 26.132 1.00 0.00 H new ATOM 571 N PRO A 39 35.189 15.896 25.573 1.00 0.00 N ATOM 572 CA PRO A 39 34.072 15.064 25.101 1.00 0.00 C ATOM 573 C PRO A 39 33.579 14.037 26.144 1.00 0.00 C ATOM 574 O PRO A 39 33.891 14.156 27.352 1.00 0.00 O ATOM 575 CB PRO A 39 34.617 14.386 23.837 1.00 0.00 C ATOM 576 CG PRO A 39 36.090 14.171 24.161 1.00 0.00 C ATOM 577 CD PRO A 39 36.442 15.395 25.004 1.00 0.00 C ATOM 0 HA PRO A 39 33.185 15.667 24.909 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.108 13.444 23.635 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.487 15.014 22.956 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.251 13.243 24.711 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.697 14.116 23.258 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.146 15.131 25.793 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.921 16.160 24.393 1.00 0.00 H new