USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.59 K(o=-0.59,f=-2.8) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 126:sc= -0.144 (180deg=-0.897) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.295 K(o=-0.29,f=-1.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00516 K(o=-0.0052,f=-0.92) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -56:sc= 0.985 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0957 K(o=-0.096,f=-5.4!) USER MOD Single : A 33 ASN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 42 ASN : amide:sc= -0.811 K(o=-0.81,f=-5!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.72 USER MOD Single : A 46 ASN : amide:sc= -0.587 K(o=-0.59,f=-5.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -0.0714 (180deg=-0.981) USER MOD Single : A 52 ASN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0439) USER MOD Single : A 63 ASN : amide:sc= -1.8 K(o=-1.8,f=-7.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 1.669 -0.069 -0.721 1.00 0.00 N ATOM 32 CA ILE A 3 1.776 0.962 -1.747 1.00 0.00 C ATOM 33 C ILE A 3 3.015 1.822 -1.513 1.00 0.00 C ATOM 34 O ILE A 3 3.390 2.089 -0.372 1.00 0.00 O ATOM 35 CB ILE A 3 0.527 1.845 -1.733 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.435 2.623 -3.048 1.00 0.00 C ATOM 37 CG2 ILE A 3 0.609 2.828 -0.564 1.00 0.00 C ATOM 38 CD1 ILE A 3 -0.169 1.728 -4.132 1.00 0.00 C ATOM 0 HA ILE A 3 1.864 0.475 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.358 1.218 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.179 3.513 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.425 2.962 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.281 3.457 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.672 2.275 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.494 3.454 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.234 2.283 -5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.463 0.851 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.167 1.411 -3.828 1.00 0.00 H new ATOM 50 N GLU A 4 3.646 2.252 -2.602 1.00 0.00 N ATOM 51 CA GLU A 4 4.842 3.080 -2.502 1.00 0.00 C ATOM 52 C GLU A 4 4.608 4.247 -1.548 1.00 0.00 C ATOM 53 O GLU A 4 3.532 4.844 -1.533 1.00 0.00 O ATOM 54 CB GLU A 4 5.222 3.616 -3.884 1.00 0.00 C ATOM 55 CG GLU A 4 4.119 4.545 -4.394 1.00 0.00 C ATOM 56 CD GLU A 4 4.454 5.028 -5.801 1.00 0.00 C ATOM 57 OE1 GLU A 4 5.479 4.617 -6.319 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.680 5.802 -6.340 1.00 0.00 O ATOM 0 H GLU A 4 3.352 2.043 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 4 5.655 2.466 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.168 4.154 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.365 2.789 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.163 4.021 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.011 5.398 -3.724 1.00 0.00 H new ATOM 65 N SER A 5 5.624 4.566 -0.753 1.00 0.00 N ATOM 66 CA SER A 5 5.519 5.663 0.203 1.00 0.00 C ATOM 67 C SER A 5 5.539 7.007 -0.518 1.00 0.00 C ATOM 68 O SER A 5 5.971 7.101 -1.667 1.00 0.00 O ATOM 69 CB SER A 5 6.677 5.600 1.199 1.00 0.00 C ATOM 70 OG SER A 5 7.891 5.912 0.529 1.00 0.00 O ATOM 0 H SER A 5 6.523 4.085 -0.751 1.00 0.00 H new ATOM 0 HA SER A 5 4.574 5.564 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.508 6.302 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.738 4.606 1.641 1.00 0.00 H new ATOM 0 HG SER A 5 8.635 5.874 1.166 1.00 0.00 H new ATOM 76 N HIS A 6 5.068 8.046 0.165 1.00 0.00 N ATOM 77 CA HIS A 6 5.037 9.382 -0.418 1.00 0.00 C ATOM 78 C HIS A 6 6.028 10.298 0.293 1.00 0.00 C ATOM 79 O HIS A 6 5.826 11.510 0.368 1.00 0.00 O ATOM 80 CB HIS A 6 3.628 9.968 -0.306 1.00 0.00 C ATOM 81 CG HIS A 6 3.263 10.124 1.145 1.00 0.00 C ATOM 82 ND1 HIS A 6 3.632 11.237 1.884 1.00 0.00 N ATOM 83 CD2 HIS A 6 2.563 9.316 2.007 1.00 0.00 C ATOM 84 CE1 HIS A 6 3.157 11.070 3.132 1.00 0.00 C ATOM 85 NE2 HIS A 6 2.497 9.916 3.261 1.00 0.00 N ATOM 0 H HIS A 6 4.705 7.989 1.116 1.00 0.00 H new ATOM 0 HA HIS A 6 5.317 9.307 -1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.583 10.934 -0.809 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.911 9.316 -0.804 1.00 0.00 H new ATOM 0 HD1 HIS A 6 4.166 12.037 1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.130 8.360 1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 6 3.293 11.783 3.932 1.00 0.00 H new ATOM 94 N GLN A 7 7.098 9.708 0.815 1.00 0.00 N ATOM 95 CA GLN A 7 8.116 10.477 1.521 1.00 0.00 C ATOM 96 C GLN A 7 8.689 11.567 0.621 1.00 0.00 C ATOM 97 O GLN A 7 8.969 11.332 -0.555 1.00 0.00 O ATOM 98 CB GLN A 7 9.242 9.549 1.982 1.00 0.00 C ATOM 99 CG GLN A 7 10.135 10.285 2.982 1.00 0.00 C ATOM 100 CD GLN A 7 11.309 9.398 3.381 1.00 0.00 C ATOM 101 OE1 GLN A 7 12.386 9.490 2.792 1.00 0.00 O ATOM 102 NE2 GLN A 7 11.165 8.538 4.351 1.00 0.00 N ATOM 0 H GLN A 7 7.282 8.706 0.763 1.00 0.00 H new ATOM 0 HA GLN A 7 7.652 10.947 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.824 8.654 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.831 9.221 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.502 11.212 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.558 10.558 3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.272 8.463 4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.946 7.940 4.623 1.00 0.00 H new ATOM 111 N VAL A 8 8.859 12.760 1.181 1.00 0.00 N ATOM 112 CA VAL A 8 9.398 13.882 0.422 1.00 0.00 C ATOM 113 C VAL A 8 10.510 14.572 1.206 1.00 0.00 C ATOM 114 O VAL A 8 10.434 14.698 2.428 1.00 0.00 O ATOM 115 CB VAL A 8 8.286 14.888 0.119 1.00 0.00 C ATOM 116 CG1 VAL A 8 7.722 15.435 1.431 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.854 16.041 -0.711 1.00 0.00 C ATOM 0 H VAL A 8 8.633 12.974 2.152 1.00 0.00 H new ATOM 0 HA VAL A 8 9.809 13.502 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 8 7.492 14.394 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.930 16.152 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.318 14.614 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.516 15.929 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.062 16.758 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.648 16.535 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.257 15.652 -1.646 1.00 0.00 H new ATOM 127 N GLU A 9 11.542 15.017 0.496 1.00 0.00 N ATOM 128 CA GLU A 9 12.663 15.692 1.140 1.00 0.00 C ATOM 129 C GLU A 9 13.080 16.923 0.341 1.00 0.00 C ATOM 130 O GLU A 9 12.560 17.177 -0.745 1.00 0.00 O ATOM 131 CB GLU A 9 13.853 14.736 1.268 1.00 0.00 C ATOM 132 CG GLU A 9 13.857 13.750 0.097 1.00 0.00 C ATOM 133 CD GLU A 9 13.792 14.506 -1.226 1.00 0.00 C ATOM 134 OE1 GLU A 9 14.578 15.423 -1.400 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.959 14.157 -2.045 1.00 0.00 O ATOM 0 H GLU A 9 11.625 14.924 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 9 12.346 16.008 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.785 15.301 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.795 14.193 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.758 13.137 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.007 13.072 0.179 1.00 0.00 H new ATOM 142 N LYS A 10 14.023 17.683 0.887 1.00 0.00 N ATOM 143 CA LYS A 10 14.505 18.886 0.218 1.00 0.00 C ATOM 144 C LYS A 10 16.027 18.962 0.285 1.00 0.00 C ATOM 145 O LYS A 10 16.665 18.182 0.993 1.00 0.00 O ATOM 146 CB LYS A 10 13.901 20.128 0.877 1.00 0.00 C ATOM 147 CG LYS A 10 13.914 19.958 2.397 1.00 0.00 C ATOM 148 CD LYS A 10 12.542 19.472 2.870 1.00 0.00 C ATOM 149 CE LYS A 10 12.498 19.479 4.399 1.00 0.00 C ATOM 150 NZ LYS A 10 11.161 19.007 4.860 1.00 0.00 N ATOM 0 H LYS A 10 14.466 17.489 1.785 1.00 0.00 H new ATOM 0 HA LYS A 10 14.200 18.845 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.469 21.015 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.880 20.278 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.684 19.243 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.161 20.905 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.759 20.116 2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.351 18.467 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.281 18.834 4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.690 20.484 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.131 19.012 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.423 19.639 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.995 18.041 4.513 1.00 0.00 H new ATOM 164 N ARG A 11 16.601 19.904 -0.456 1.00 0.00 N ATOM 165 CA ARG A 11 18.050 20.073 -0.475 1.00 0.00 C ATOM 166 C ARG A 11 18.438 21.441 0.081 1.00 0.00 C ATOM 167 O ARG A 11 19.007 22.273 -0.623 1.00 0.00 O ATOM 168 CB ARG A 11 18.620 19.903 -1.900 1.00 0.00 C ATOM 169 CG ARG A 11 17.622 20.359 -2.985 1.00 0.00 C ATOM 170 CD ARG A 11 17.581 21.888 -3.057 1.00 0.00 C ATOM 171 NE ARG A 11 16.636 22.423 -2.081 1.00 0.00 N ATOM 172 CZ ARG A 11 15.322 22.451 -2.315 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.829 21.990 -3.437 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.518 22.945 -1.413 1.00 0.00 N ATOM 0 H ARG A 11 16.089 20.558 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 11 18.479 19.296 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 11 19.542 20.478 -1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.879 18.857 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.913 19.950 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.628 19.971 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 11 18.575 22.293 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.293 22.203 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 11 16.990 22.785 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.451 21.603 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.823 22.018 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.895 23.306 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.513 22.970 -1.585 1.00 0.00 H new ATOM 188 N LYS A 12 18.130 21.664 1.354 1.00 0.00 N ATOM 189 CA LYS A 12 18.455 22.932 1.997 1.00 0.00 C ATOM 190 C LYS A 12 19.932 23.263 1.810 1.00 0.00 C ATOM 191 O LYS A 12 20.760 22.370 1.633 1.00 0.00 O ATOM 192 CB LYS A 12 18.129 22.859 3.491 1.00 0.00 C ATOM 193 CG LYS A 12 19.274 22.164 4.231 1.00 0.00 C ATOM 194 CD LYS A 12 18.815 21.782 5.640 1.00 0.00 C ATOM 195 CE LYS A 12 18.004 20.487 5.581 1.00 0.00 C ATOM 196 NZ LYS A 12 18.890 19.363 5.166 1.00 0.00 N ATOM 0 H LYS A 12 17.659 20.989 1.957 1.00 0.00 H new ATOM 0 HA LYS A 12 17.857 23.717 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.980 23.862 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.198 22.313 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.586 21.274 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.139 22.824 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.679 21.653 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.210 22.583 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.564 20.276 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.180 20.594 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.825 18.594 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.592 19.012 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.873 19.698 5.111 1.00 0.00 H new ATOM 210 N CYS A 13 20.254 24.552 1.851 1.00 0.00 N ATOM 211 CA CYS A 13 21.635 24.989 1.684 1.00 0.00 C ATOM 212 C CYS A 13 22.382 24.920 3.015 1.00 0.00 C ATOM 213 O CYS A 13 22.372 25.872 3.795 1.00 0.00 O ATOM 214 CB CYS A 13 21.663 26.421 1.145 1.00 0.00 C ATOM 215 SG CYS A 13 22.585 26.463 -0.411 1.00 0.00 S ATOM 0 H CYS A 13 19.583 25.307 1.997 1.00 0.00 H new ATOM 0 HA CYS A 13 22.129 24.326 0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 13 20.646 26.781 0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.128 27.086 1.873 1.00 0.00 H new ATOM 0 HG CYS A 13 22.607 27.679 -0.870 1.00 0.00 H new ATOM 220 N ASN A 14 23.023 23.784 3.271 1.00 0.00 N ATOM 221 CA ASN A 14 23.766 23.603 4.514 1.00 0.00 C ATOM 222 C ASN A 14 25.201 23.168 4.230 1.00 0.00 C ATOM 223 O ASN A 14 25.807 22.450 5.025 1.00 0.00 O ATOM 224 CB ASN A 14 23.076 22.551 5.388 1.00 0.00 C ATOM 225 CG ASN A 14 23.509 22.715 6.841 1.00 0.00 C ATOM 226 OD1 ASN A 14 23.712 23.837 7.306 1.00 0.00 O ATOM 227 ND2 ASN A 14 23.663 21.658 7.590 1.00 0.00 N ATOM 0 H ASN A 14 23.044 22.982 2.641 1.00 0.00 H new ATOM 0 HA ASN A 14 23.788 24.557 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 14 21.994 22.653 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.328 21.551 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 14 23.952 21.760 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.494 20.730 7.203 1.00 0.00 H new ATOM 234 N THR A 15 25.740 23.603 3.093 1.00 0.00 N ATOM 235 CA THR A 15 27.106 23.244 2.722 1.00 0.00 C ATOM 236 C THR A 15 27.977 24.491 2.595 1.00 0.00 C ATOM 237 O THR A 15 27.470 25.605 2.465 1.00 0.00 O ATOM 238 CB THR A 15 27.104 22.476 1.397 1.00 0.00 C ATOM 239 OG1 THR A 15 28.389 21.911 1.179 1.00 0.00 O ATOM 240 CG2 THR A 15 26.762 23.425 0.246 1.00 0.00 C ATOM 0 H THR A 15 25.258 24.198 2.419 1.00 0.00 H new ATOM 0 HA THR A 15 27.520 22.610 3.506 1.00 0.00 H new ATOM 0 HB THR A 15 26.357 21.684 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 15 28.390 21.417 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.762 22.872 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 15 25.775 23.858 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 15 27.504 24.222 0.199 1.00 0.00 H new ATOM 306 N GLN A 21 28.119 31.623 -2.136 1.00 0.00 N ATOM 307 CA GLN A 21 26.973 32.290 -2.738 1.00 0.00 C ATOM 308 C GLN A 21 26.612 33.555 -1.962 1.00 0.00 C ATOM 309 O GLN A 21 26.187 34.550 -2.550 1.00 0.00 O ATOM 310 CB GLN A 21 25.771 31.343 -2.761 1.00 0.00 C ATOM 311 CG GLN A 21 24.643 31.971 -3.582 1.00 0.00 C ATOM 312 CD GLN A 21 23.464 31.008 -3.670 1.00 0.00 C ATOM 313 OE1 GLN A 21 23.656 29.793 -3.722 1.00 0.00 O ATOM 314 NE2 GLN A 21 22.248 31.480 -3.689 1.00 0.00 N ATOM 0 HA GLN A 21 27.237 32.570 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 21 26.058 30.384 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 21 25.430 31.147 -1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.325 32.907 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.001 32.213 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.091 32.487 -3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 21 21.454 30.842 -3.747 1.00 0.00 H new ATOM 323 N ARG A 22 26.780 33.517 -0.642 1.00 0.00 N ATOM 324 CA ARG A 22 26.458 34.677 0.182 1.00 0.00 C ATOM 325 C ARG A 22 27.418 35.827 -0.115 1.00 0.00 C ATOM 326 O ARG A 22 27.075 36.995 0.067 1.00 0.00 O ATOM 327 CB ARG A 22 26.481 34.299 1.678 1.00 0.00 C ATOM 328 CG ARG A 22 27.854 34.573 2.314 1.00 0.00 C ATOM 329 CD ARG A 22 27.888 35.996 2.878 1.00 0.00 C ATOM 330 NE ARG A 22 27.991 35.959 4.334 1.00 0.00 N ATOM 331 CZ ARG A 22 29.151 35.726 4.951 1.00 0.00 C ATOM 332 NH1 ARG A 22 30.246 35.518 4.264 1.00 0.00 N ATOM 333 NH2 ARG A 22 29.194 35.704 6.255 1.00 0.00 N ATOM 0 H ARG A 22 27.131 32.709 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 22 25.450 35.012 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 22 25.715 34.865 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 22 26.232 33.244 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 22 28.048 33.852 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 22 28.641 34.447 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.735 36.541 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 22 26.987 36.533 2.583 1.00 0.00 H new ATOM 0 HE ARG A 22 27.153 36.116 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 22 30.219 35.533 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 22 31.126 35.341 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 22 28.344 35.864 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 22 30.077 35.526 6.733 1.00 0.00 H new ATOM 347 N LEU A 23 28.621 35.491 -0.577 1.00 0.00 N ATOM 348 CA LEU A 23 29.613 36.512 -0.898 1.00 0.00 C ATOM 349 C LEU A 23 29.085 37.420 -2.001 1.00 0.00 C ATOM 350 O LEU A 23 29.272 38.636 -1.963 1.00 0.00 O ATOM 351 CB LEU A 23 30.921 35.858 -1.350 1.00 0.00 C ATOM 352 CG LEU A 23 31.985 36.935 -1.584 1.00 0.00 C ATOM 353 CD1 LEU A 23 32.366 37.583 -0.249 1.00 0.00 C ATOM 354 CD2 LEU A 23 33.225 36.294 -2.212 1.00 0.00 C ATOM 0 H LEU A 23 28.929 34.532 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 23 29.805 37.105 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 23 31.265 35.152 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 23 30.757 35.290 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 23 31.588 37.698 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 23 33.123 38.349 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 23 31.483 38.039 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 23 32.763 36.823 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 33.984 37.058 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 23 33.620 35.531 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 23 32.955 35.835 -3.163 1.00 0.00 H new ATOM 366 N ALA A 24 28.413 36.821 -2.978 1.00 0.00 N ATOM 367 CA ALA A 24 27.849 37.588 -4.082 1.00 0.00 C ATOM 368 C ALA A 24 26.822 38.583 -3.554 1.00 0.00 C ATOM 369 O ALA A 24 26.733 39.715 -4.031 1.00 0.00 O ATOM 370 CB ALA A 24 27.185 36.647 -5.090 1.00 0.00 C ATOM 0 H ALA A 24 28.247 35.816 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 24 28.653 38.132 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 24 26.767 37.230 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 24 27.927 35.950 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 24 26.388 36.090 -4.597 1.00 0.00 H new ATOM 376 N ASN A 25 26.052 38.150 -2.562 1.00 0.00 N ATOM 377 CA ASN A 25 25.034 39.004 -1.964 1.00 0.00 C ATOM 378 C ASN A 25 25.678 40.184 -1.239 1.00 0.00 C ATOM 379 O ASN A 25 25.053 41.228 -1.054 1.00 0.00 O ATOM 380 CB ASN A 25 24.191 38.195 -0.976 1.00 0.00 C ATOM 381 CG ASN A 25 23.312 37.204 -1.731 1.00 0.00 C ATOM 382 OD1 ASN A 25 23.563 36.000 -1.698 1.00 0.00 O ATOM 383 ND2 ASN A 25 22.289 37.641 -2.413 1.00 0.00 N ATOM 0 H ASN A 25 26.113 37.216 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 25 24.396 39.388 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.841 37.662 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.570 38.865 -0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.696 36.984 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.082 38.640 -2.439 1.00 0.00 H new ATOM 390 N PHE A 26 26.931 40.010 -0.828 1.00 0.00 N ATOM 391 CA PHE A 26 27.647 41.067 -0.123 1.00 0.00 C ATOM 392 C PHE A 26 27.892 42.262 -1.041 1.00 0.00 C ATOM 393 O PHE A 26 27.823 43.412 -0.607 1.00 0.00 O ATOM 394 CB PHE A 26 28.986 40.538 0.397 1.00 0.00 C ATOM 395 CG PHE A 26 29.631 41.582 1.277 1.00 0.00 C ATOM 396 CD1 PHE A 26 29.211 41.735 2.604 1.00 0.00 C ATOM 397 CD2 PHE A 26 30.650 42.396 0.766 1.00 0.00 C ATOM 398 CE1 PHE A 26 29.810 42.703 3.420 1.00 0.00 C ATOM 399 CE2 PHE A 26 31.248 43.363 1.582 1.00 0.00 C ATOM 400 CZ PHE A 26 30.828 43.517 2.909 1.00 0.00 C ATOM 0 H PHE A 26 27.467 39.154 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 26 27.033 41.391 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 26 28.832 39.617 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 26 29.643 40.295 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 26 28.426 41.107 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 26 30.974 42.277 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 26 29.487 42.822 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 26 32.034 43.991 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 26 31.289 44.264 3.538 1.00 0.00 H new ATOM 410 N LEU A 27 28.184 41.985 -2.309 1.00 0.00 N ATOM 411 CA LEU A 27 28.443 43.050 -3.273 1.00 0.00 C ATOM 412 C LEU A 27 27.215 43.949 -3.399 1.00 0.00 C ATOM 413 O LEU A 27 27.328 45.174 -3.397 1.00 0.00 O ATOM 414 CB LEU A 27 28.811 42.425 -4.635 1.00 0.00 C ATOM 415 CG LEU A 27 29.131 43.486 -5.715 1.00 0.00 C ATOM 416 CD1 LEU A 27 27.836 44.009 -6.361 1.00 0.00 C ATOM 417 CD2 LEU A 27 29.929 44.656 -5.120 1.00 0.00 C ATOM 0 H LEU A 27 28.247 41.041 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 27 29.277 43.663 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 27 29.674 41.771 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 27 27.986 41.801 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 27 29.740 43.007 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 27 28.082 44.754 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 27 27.302 43.181 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 27 27.206 44.463 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 27 30.140 45.387 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 29.347 45.128 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 27 30.867 44.284 -4.708 1.00 0.00 H new ATOM 429 N VAL A 28 26.039 43.337 -3.491 1.00 0.00 N ATOM 430 CA VAL A 28 24.803 44.104 -3.599 1.00 0.00 C ATOM 431 C VAL A 28 24.401 44.652 -2.233 1.00 0.00 C ATOM 432 O VAL A 28 23.781 45.712 -2.139 1.00 0.00 O ATOM 433 CB VAL A 28 23.678 43.233 -4.167 1.00 0.00 C ATOM 434 CG1 VAL A 28 24.070 42.737 -5.559 1.00 0.00 C ATOM 435 CG2 VAL A 28 23.438 42.031 -3.250 1.00 0.00 C ATOM 0 H VAL A 28 25.916 42.324 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 28 24.974 44.939 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 28 22.765 43.825 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 28 23.270 42.117 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 24.235 43.591 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 24.985 42.149 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 22.637 41.415 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 28 24.351 41.439 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 28 23.155 42.381 -2.257 1.00 0.00 H new ATOM 445 N HIS A 29 24.764 43.932 -1.177 1.00 0.00 N ATOM 446 CA HIS A 29 24.441 44.367 0.177 1.00 0.00 C ATOM 447 C HIS A 29 25.311 45.556 0.578 1.00 0.00 C ATOM 448 O HIS A 29 24.917 46.374 1.410 1.00 0.00 O ATOM 449 CB HIS A 29 24.657 43.217 1.163 1.00 0.00 C ATOM 450 CG HIS A 29 24.247 43.655 2.542 1.00 0.00 C ATOM 451 ND1 HIS A 29 22.920 43.849 2.892 1.00 0.00 N ATOM 452 CD2 HIS A 29 24.978 43.941 3.668 1.00 0.00 C ATOM 453 CE1 HIS A 29 22.893 44.234 4.181 1.00 0.00 C ATOM 454 NE2 HIS A 29 24.121 44.307 4.702 1.00 0.00 N ATOM 0 H HIS A 29 25.277 43.052 -1.231 1.00 0.00 H new ATOM 0 HA HIS A 29 23.395 44.671 0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.074 42.348 0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.704 42.915 1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 29 26.054 43.890 3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 29 21.989 44.457 4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 29 24.376 44.574 5.653 1.00 0.00 H new ATOM 463 N SER A 30 26.493 45.646 -0.028 1.00 0.00 N ATOM 464 CA SER A 30 27.410 46.744 0.268 1.00 0.00 C ATOM 465 C SER A 30 27.683 47.581 -0.981 1.00 0.00 C ATOM 466 O SER A 30 28.668 48.316 -1.042 1.00 0.00 O ATOM 467 CB SER A 30 28.726 46.197 0.822 1.00 0.00 C ATOM 468 OG SER A 30 29.568 47.282 1.190 1.00 0.00 O ATOM 0 H SER A 30 26.836 44.979 -0.720 1.00 0.00 H new ATOM 0 HA SER A 30 26.942 47.383 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.534 45.561 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.219 45.577 0.074 1.00 0.00 H new ATOM 0 HG SER A 30 29.700 47.870 0.417 1.00 0.00 H new ATOM 474 N SER A 31 26.810 47.460 -1.979 1.00 0.00 N ATOM 475 CA SER A 31 26.973 48.205 -3.222 1.00 0.00 C ATOM 476 C SER A 31 26.888 49.708 -2.979 1.00 0.00 C ATOM 477 O SER A 31 27.599 50.488 -3.612 1.00 0.00 O ATOM 478 CB SER A 31 25.894 47.791 -4.223 1.00 0.00 C ATOM 479 OG SER A 31 26.038 48.557 -5.412 1.00 0.00 O ATOM 0 H SER A 31 25.988 46.857 -1.950 1.00 0.00 H new ATOM 0 HA SER A 31 27.959 47.975 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 31 25.980 46.728 -4.449 1.00 0.00 H new ATOM 0 HB3 SER A 31 24.904 47.947 -3.794 1.00 0.00 H new ATOM 0 HG SER A 31 25.349 48.293 -6.057 1.00 0.00 H new ATOM 485 N ASN A 32 26.011 50.110 -2.065 1.00 0.00 N ATOM 486 CA ASN A 32 25.840 51.525 -1.757 1.00 0.00 C ATOM 487 C ASN A 32 27.096 52.099 -1.112 1.00 0.00 C ATOM 488 O ASN A 32 27.529 53.204 -1.444 1.00 0.00 O ATOM 489 CB ASN A 32 24.654 51.708 -0.809 1.00 0.00 C ATOM 490 CG ASN A 32 24.818 50.809 0.412 1.00 0.00 C ATOM 491 OD1 ASN A 32 24.885 49.587 0.279 1.00 0.00 O ATOM 492 ND2 ASN A 32 24.885 51.344 1.600 1.00 0.00 N ATOM 0 H ASN A 32 25.412 49.482 -1.529 1.00 0.00 H new ATOM 0 HA ASN A 32 25.654 52.057 -2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 32 24.585 52.750 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 32 23.725 51.468 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 32 24.993 50.749 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 32 24.829 52.357 1.707 1.00 0.00 H new ATOM 499 N ASN A 33 27.678 51.344 -0.188 1.00 0.00 N ATOM 500 CA ASN A 33 28.883 51.802 0.491 1.00 0.00 C ATOM 501 C ASN A 33 30.034 51.896 -0.502 1.00 0.00 C ATOM 502 O ASN A 33 30.859 52.806 -0.433 1.00 0.00 O ATOM 503 CB ASN A 33 29.251 50.845 1.628 1.00 0.00 C ATOM 504 CG ASN A 33 28.246 50.979 2.767 1.00 0.00 C ATOM 505 OD1 ASN A 33 27.527 50.029 3.077 1.00 0.00 O ATOM 506 ND2 ASN A 33 28.154 52.109 3.414 1.00 0.00 N ATOM 0 H ASN A 33 27.342 50.427 0.105 1.00 0.00 H new ATOM 0 HA ASN A 33 28.693 52.789 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 33 29.263 49.819 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 33 30.255 51.066 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 33 27.485 52.206 4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 33 28.751 52.895 3.155 1.00 0.00 H new ATOM 513 N PHE A 34 30.077 50.937 -1.423 1.00 0.00 N ATOM 514 CA PHE A 34 31.126 50.899 -2.436 1.00 0.00 C ATOM 515 C PHE A 34 31.291 52.271 -3.080 1.00 0.00 C ATOM 516 O PHE A 34 32.410 52.726 -3.315 1.00 0.00 O ATOM 517 CB PHE A 34 30.782 49.864 -3.509 1.00 0.00 C ATOM 518 CG PHE A 34 31.885 49.819 -4.539 1.00 0.00 C ATOM 519 CD1 PHE A 34 33.090 49.170 -4.246 1.00 0.00 C ATOM 520 CD2 PHE A 34 31.702 50.427 -5.787 1.00 0.00 C ATOM 521 CE1 PHE A 34 34.112 49.128 -5.202 1.00 0.00 C ATOM 522 CE2 PHE A 34 32.725 50.385 -6.742 1.00 0.00 C ATOM 523 CZ PHE A 34 33.930 49.735 -6.450 1.00 0.00 C ATOM 0 H PHE A 34 29.399 50.178 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 34 32.063 50.619 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 34 30.655 48.882 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 34 29.836 50.120 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 34 33.231 48.702 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 34 30.772 50.928 -6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 34 35.042 48.627 -4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 34 32.584 50.854 -7.704 1.00 0.00 H new ATOM 0 HZ PHE A 34 34.719 49.702 -7.187 1.00 0.00 H new ATOM 533 N GLY A 35 30.169 52.928 -3.355 1.00 0.00 N ATOM 534 CA GLY A 35 30.202 54.252 -3.963 1.00 0.00 C ATOM 535 C GLY A 35 30.945 55.238 -3.069 1.00 0.00 C ATOM 536 O GLY A 35 31.832 55.957 -3.526 1.00 0.00 O ATOM 0 H GLY A 35 29.233 52.568 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.689 54.198 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.185 54.604 -4.134 1.00 0.00 H new ATOM 540 N ALA A 36 30.577 55.274 -1.794 1.00 0.00 N ATOM 541 CA ALA A 36 31.223 56.186 -0.855 1.00 0.00 C ATOM 542 C ALA A 36 32.655 55.741 -0.557 1.00 0.00 C ATOM 543 O ALA A 36 33.481 56.542 -0.120 1.00 0.00 O ATOM 544 CB ALA A 36 30.423 56.249 0.447 1.00 0.00 C ATOM 0 H ALA A 36 29.844 54.691 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 36 31.256 57.176 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.912 56.932 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.414 56.605 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 36 30.372 55.255 0.891 1.00 0.00 H new ATOM 550 N ILE A 37 32.942 54.464 -0.792 1.00 0.00 N ATOM 551 CA ILE A 37 34.278 53.932 -0.538 1.00 0.00 C ATOM 552 C ILE A 37 35.277 54.425 -1.582 1.00 0.00 C ATOM 553 O ILE A 37 36.405 54.789 -1.249 1.00 0.00 O ATOM 554 CB ILE A 37 34.242 52.402 -0.545 1.00 0.00 C ATOM 555 CG1 ILE A 37 33.610 51.906 0.761 1.00 0.00 C ATOM 556 CG2 ILE A 37 35.668 51.857 -0.663 1.00 0.00 C ATOM 557 CD1 ILE A 37 33.319 50.405 0.664 1.00 0.00 C ATOM 0 H ILE A 37 32.275 53.783 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 37 34.600 54.287 0.441 1.00 0.00 H new ATOM 0 HB ILE A 37 33.652 52.054 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 37 34.282 52.102 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 37 32.687 52.452 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 37 35.642 50.767 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 37 36.118 52.213 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 37 36.261 52.202 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 37 32.870 50.060 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 37 32.630 50.220 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 37 34.249 49.865 0.488 1.00 0.00 H new ATOM 569 N LEU A 38 34.860 54.429 -2.845 1.00 0.00 N ATOM 570 CA LEU A 38 35.737 54.874 -3.924 1.00 0.00 C ATOM 571 C LEU A 38 35.994 56.378 -3.836 1.00 0.00 C ATOM 572 O LEU A 38 36.971 56.881 -4.390 1.00 0.00 O ATOM 573 CB LEU A 38 35.129 54.515 -5.288 1.00 0.00 C ATOM 574 CG LEU A 38 34.069 55.544 -5.693 1.00 0.00 C ATOM 575 CD1 LEU A 38 34.680 56.555 -6.666 1.00 0.00 C ATOM 576 CD2 LEU A 38 32.902 54.825 -6.375 1.00 0.00 C ATOM 0 H LEU A 38 33.931 54.133 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 38 36.692 54.360 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.914 54.477 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.681 53.522 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 38 33.712 56.066 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.924 57.286 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.514 57.065 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.037 56.035 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.145 55.554 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.264 54.305 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.465 54.104 -5.684 1.00 0.00 H new ATOM 588 N SER A 39 35.117 57.091 -3.133 1.00 0.00 N ATOM 589 CA SER A 39 35.271 58.533 -2.979 1.00 0.00 C ATOM 590 C SER A 39 36.542 58.855 -2.199 1.00 0.00 C ATOM 591 O SER A 39 37.266 59.793 -2.534 1.00 0.00 O ATOM 592 CB SER A 39 34.060 59.113 -2.248 1.00 0.00 C ATOM 593 OG SER A 39 34.226 60.518 -2.106 1.00 0.00 O ATOM 0 H SER A 39 34.300 56.697 -2.666 1.00 0.00 H new ATOM 0 HA SER A 39 35.343 58.980 -3.971 1.00 0.00 H new ATOM 0 HB2 SER A 39 33.148 58.897 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.954 58.647 -1.268 1.00 0.00 H new ATOM 0 HG SER A 39 33.451 60.893 -1.639 1.00 0.00 H new ATOM 599 N SER A 40 36.807 58.072 -1.159 1.00 0.00 N ATOM 600 CA SER A 40 37.995 58.285 -0.338 1.00 0.00 C ATOM 601 C SER A 40 39.166 57.453 -0.856 1.00 0.00 C ATOM 602 O SER A 40 40.101 57.153 -0.114 1.00 0.00 O ATOM 603 CB SER A 40 37.701 57.904 1.113 1.00 0.00 C ATOM 604 OG SER A 40 36.695 58.765 1.629 1.00 0.00 O ATOM 0 H SER A 40 36.221 57.290 -0.866 1.00 0.00 H new ATOM 0 HA SER A 40 38.264 59.340 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 40 37.372 56.866 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 40 38.607 57.984 1.713 1.00 0.00 H new ATOM 0 HG SER A 40 36.502 58.523 2.559 1.00 0.00 H new ATOM 610 N THR A 41 39.109 57.083 -2.133 1.00 0.00 N ATOM 611 CA THR A 41 40.172 56.285 -2.734 1.00 0.00 C ATOM 612 C THR A 41 41.518 56.994 -2.610 1.00 0.00 C ATOM 613 O THR A 41 42.570 56.356 -2.650 1.00 0.00 O ATOM 614 CB THR A 41 39.863 56.031 -4.212 1.00 0.00 C ATOM 615 OG1 THR A 41 40.838 55.151 -4.753 1.00 0.00 O ATOM 616 CG2 THR A 41 39.889 57.356 -4.976 1.00 0.00 C ATOM 0 H THR A 41 38.345 57.321 -2.766 1.00 0.00 H new ATOM 0 HA THR A 41 40.227 55.334 -2.203 1.00 0.00 H new ATOM 0 HB THR A 41 38.875 55.581 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 41 40.641 54.986 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 41 39.669 57.174 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 41 39.141 58.031 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 41 40.876 57.809 -4.885 1.00 0.00 H new ATOM 624 N ASN A 42 41.480 58.314 -2.461 1.00 0.00 N ATOM 625 CA ASN A 42 42.707 59.093 -2.334 1.00 0.00 C ATOM 626 C ASN A 42 43.202 59.113 -0.887 1.00 0.00 C ATOM 627 O ASN A 42 44.096 59.888 -0.544 1.00 0.00 O ATOM 628 CB ASN A 42 42.465 60.526 -2.811 1.00 0.00 C ATOM 629 CG ASN A 42 41.521 61.244 -1.852 1.00 0.00 C ATOM 630 OD1 ASN A 42 40.906 60.610 -0.994 1.00 0.00 O ATOM 631 ND2 ASN A 42 41.368 62.536 -1.947 1.00 0.00 N ATOM 0 H ASN A 42 40.621 58.863 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 42 43.471 58.623 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 42 43.412 61.062 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 42 42.039 60.517 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 42 40.738 63.023 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 42 41.878 63.059 -2.658 1.00 0.00 H new ATOM 638 N VAL A 43 42.625 58.261 -0.042 1.00 0.00 N ATOM 639 CA VAL A 43 43.029 58.202 1.358 1.00 0.00 C ATOM 640 C VAL A 43 44.210 57.246 1.545 1.00 0.00 C ATOM 641 O VAL A 43 44.543 56.871 2.670 1.00 0.00 O ATOM 642 CB VAL A 43 41.847 57.744 2.217 1.00 0.00 C ATOM 643 CG1 VAL A 43 41.754 56.214 2.203 1.00 0.00 C ATOM 644 CG2 VAL A 43 42.039 58.236 3.655 1.00 0.00 C ATOM 0 H VAL A 43 41.884 57.609 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 43 43.342 59.198 1.670 1.00 0.00 H new ATOM 0 HB VAL A 43 40.925 58.160 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 43 40.911 55.895 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 41.610 55.868 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 43 42.675 55.790 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 43 41.198 57.910 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 43 42.963 57.824 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.093 59.325 3.663 1.00 0.00 H new ATOM 654 N GLY A 44 44.847 56.857 0.442 1.00 0.00 N ATOM 655 CA GLY A 44 45.987 55.950 0.512 1.00 0.00 C ATOM 656 C GLY A 44 45.531 54.497 0.623 1.00 0.00 C ATOM 657 O GLY A 44 46.289 53.633 1.062 1.00 0.00 O ATOM 0 H GLY A 44 44.595 57.153 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 44 46.607 56.072 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 44 46.607 56.206 1.371 1.00 0.00 H new ATOM 661 N SER A 45 44.290 54.233 0.222 1.00 0.00 N ATOM 662 CA SER A 45 43.750 52.879 0.282 1.00 0.00 C ATOM 663 C SER A 45 43.351 52.399 -1.110 1.00 0.00 C ATOM 664 O SER A 45 42.485 51.536 -1.254 1.00 0.00 O ATOM 665 CB SER A 45 42.531 52.843 1.203 1.00 0.00 C ATOM 666 OG SER A 45 41.496 53.642 0.645 1.00 0.00 O ATOM 0 H SER A 45 43.645 54.933 -0.145 1.00 0.00 H new ATOM 0 HA SER A 45 44.522 52.218 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 45 42.186 51.817 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 45 42.798 53.213 2.193 1.00 0.00 H new ATOM 0 HG SER A 45 40.712 53.619 1.233 1.00 0.00 H new ATOM 672 N ASN A 46 43.986 52.963 -2.132 1.00 0.00 N ATOM 673 CA ASN A 46 43.686 52.586 -3.508 1.00 0.00 C ATOM 674 C ASN A 46 44.697 51.563 -4.020 1.00 0.00 C ATOM 675 O ASN A 46 44.929 51.455 -5.224 1.00 0.00 O ATOM 676 CB ASN A 46 43.711 53.824 -4.407 1.00 0.00 C ATOM 677 CG ASN A 46 45.112 54.424 -4.429 1.00 0.00 C ATOM 678 OD1 ASN A 46 46.001 53.957 -3.716 1.00 0.00 O ATOM 679 ND2 ASN A 46 45.365 55.440 -5.209 1.00 0.00 N ATOM 0 H ASN A 46 44.707 53.678 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 46 42.692 52.139 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 46 43.406 53.555 -5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 46 42.996 54.562 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 46 46.300 55.848 -5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 46 44.628 55.826 -5.799 1.00 0.00 H new ATOM 686 N THR A 47 45.295 50.815 -3.098 1.00 0.00 N ATOM 687 CA THR A 47 46.278 49.805 -3.470 1.00 0.00 C ATOM 688 C THR A 47 45.605 48.453 -3.704 1.00 0.00 C ATOM 689 O THR A 47 46.249 47.407 -3.623 1.00 0.00 O ATOM 690 CB THR A 47 47.330 49.672 -2.365 1.00 0.00 C ATOM 691 OG1 THR A 47 46.955 50.479 -1.258 1.00 0.00 O ATOM 692 CG2 THR A 47 48.690 50.129 -2.896 1.00 0.00 C ATOM 0 H THR A 47 45.118 50.888 -2.096 1.00 0.00 H new ATOM 0 HA THR A 47 46.759 50.118 -4.396 1.00 0.00 H new ATOM 0 HB THR A 47 47.398 48.631 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 47 47.626 50.394 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 47 49.438 50.034 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 47 48.976 49.509 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 47 48.626 51.170 -3.212 1.00 0.00 H new ATOM 700 N TYR A 48 44.308 48.481 -3.998 1.00 0.00 N ATOM 701 CA TYR A 48 43.564 47.251 -4.244 1.00 0.00 C ATOM 702 C TYR A 48 42.483 47.472 -5.300 1.00 0.00 C ATOM 703 O TYR A 48 41.520 46.709 -5.384 1.00 0.00 O ATOM 704 CB TYR A 48 42.922 46.763 -2.942 1.00 0.00 C ATOM 705 CG TYR A 48 41.653 47.541 -2.680 1.00 0.00 C ATOM 706 CD1 TYR A 48 40.409 46.907 -2.789 1.00 0.00 C ATOM 707 CD2 TYR A 48 41.721 48.894 -2.330 1.00 0.00 C ATOM 708 CE1 TYR A 48 39.233 47.627 -2.547 1.00 0.00 C ATOM 709 CE2 TYR A 48 40.545 49.614 -2.088 1.00 0.00 C ATOM 710 CZ TYR A 48 39.301 48.981 -2.196 1.00 0.00 C ATOM 711 OH TYR A 48 38.142 49.691 -1.958 1.00 0.00 O ATOM 0 H TYR A 48 43.755 49.335 -4.071 1.00 0.00 H new ATOM 0 HA TYR A 48 44.259 46.497 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 48 42.700 45.698 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 48 43.617 46.891 -2.112 1.00 0.00 H new ATOM 0 HD1 TYR A 48 40.357 45.863 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 48 42.680 49.383 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 48 38.274 47.138 -2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 48 40.597 50.658 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 48 38.367 50.616 -1.725 1.00 0.00 H new ATOM 721 N GLY A 49 42.647 48.518 -6.106 1.00 0.00 N ATOM 722 CA GLY A 49 41.675 48.824 -7.149 1.00 0.00 C ATOM 723 C GLY A 49 41.592 47.693 -8.169 1.00 0.00 C ATOM 724 O GLY A 49 42.606 47.101 -8.539 1.00 0.00 O ATOM 0 H GLY A 49 43.437 49.162 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.695 48.987 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 49 41.954 49.751 -7.650 1.00 0.00 H new ATOM 728 N LYS A 50 40.376 47.398 -8.618 1.00 0.00 N ATOM 729 CA LYS A 50 40.169 46.336 -9.596 1.00 0.00 C ATOM 730 C LYS A 50 40.835 46.691 -10.921 1.00 0.00 C ATOM 731 O LYS A 50 41.378 45.824 -11.605 1.00 0.00 O ATOM 732 CB LYS A 50 38.671 46.117 -9.818 1.00 0.00 C ATOM 733 CG LYS A 50 38.056 45.493 -8.563 1.00 0.00 C ATOM 734 CD LYS A 50 36.610 45.082 -8.851 1.00 0.00 C ATOM 735 CE LYS A 50 35.741 46.333 -9.001 1.00 0.00 C ATOM 736 NZ LYS A 50 35.786 47.123 -7.738 1.00 0.00 N ATOM 0 H LYS A 50 39.525 47.876 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 50 40.617 45.420 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 50 38.183 47.066 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 50 38.511 45.465 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 50 38.637 44.624 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 50 38.085 46.205 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 50 36.566 44.485 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 50 36.231 44.458 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 50 36.097 46.939 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 50 34.713 46.050 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 34.910 47.675 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 35.879 46.477 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 36.601 47.769 -7.761 1.00 0.00 H new ATOM 750 N ARG A 51 40.781 47.969 -11.281 1.00 0.00 N ATOM 751 CA ARG A 51 41.376 48.428 -12.531 1.00 0.00 C ATOM 752 C ARG A 51 42.829 47.973 -12.642 1.00 0.00 C ATOM 753 O ARG A 51 43.367 47.849 -13.741 1.00 0.00 O ATOM 754 CB ARG A 51 41.309 49.956 -12.613 1.00 0.00 C ATOM 755 CG ARG A 51 42.266 50.571 -11.588 1.00 0.00 C ATOM 756 CD ARG A 51 42.081 52.089 -11.564 1.00 0.00 C ATOM 757 NE ARG A 51 43.024 52.698 -10.631 1.00 0.00 N ATOM 758 CZ ARG A 51 42.804 52.708 -9.315 1.00 0.00 C ATOM 759 NH1 ARG A 51 41.726 52.163 -8.810 1.00 0.00 N ATOM 760 NH2 ARG A 51 43.675 53.269 -8.521 1.00 0.00 N ATOM 0 H ARG A 51 40.334 48.701 -10.729 1.00 0.00 H new ATOM 0 HA ARG A 51 40.811 47.994 -13.356 1.00 0.00 H new ATOM 0 HB2 ARG A 51 41.574 50.288 -13.617 1.00 0.00 H new ATOM 0 HB3 ARG A 51 40.291 50.296 -12.423 1.00 0.00 H new ATOM 0 HG2 ARG A 51 42.073 50.155 -10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 51 43.297 50.324 -11.843 1.00 0.00 H new ATOM 0 HD2 ARG A 51 42.233 52.497 -12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 51 41.060 52.333 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 51 43.874 53.128 -10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 51 41.041 51.723 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 51 41.571 52.178 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 51 44.517 53.696 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 51 43.514 53.281 -7.514 1.00 0.00 H new ATOM 774 N ASN A 52 43.460 47.728 -11.498 1.00 0.00 N ATOM 775 CA ASN A 52 44.852 47.291 -11.486 1.00 0.00 C ATOM 776 C ASN A 52 45.037 46.061 -12.369 1.00 0.00 C ATOM 777 O ASN A 52 46.092 45.873 -12.976 1.00 0.00 O ATOM 778 CB ASN A 52 45.284 46.963 -10.056 1.00 0.00 C ATOM 779 CG ASN A 52 46.770 47.256 -9.880 1.00 0.00 C ATOM 780 OD1 ASN A 52 47.198 47.680 -8.806 1.00 0.00 O ATOM 781 ND2 ASN A 52 47.588 47.053 -10.876 1.00 0.00 N ATOM 0 H ASN A 52 43.035 47.823 -10.576 1.00 0.00 H new ATOM 0 HA ASN A 52 45.469 48.100 -11.876 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.702 47.552 -9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.083 45.914 -9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 52 48.584 47.246 -10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 52 47.232 46.702 -11.765 1.00 0.00 H new ATOM 788 N ALA A 53 44.006 45.228 -12.436 1.00 0.00 N ATOM 789 CA ALA A 53 44.062 44.018 -13.248 1.00 0.00 C ATOM 790 C ALA A 53 44.218 44.361 -14.727 1.00 0.00 C ATOM 791 O ALA A 53 44.980 43.714 -15.444 1.00 0.00 O ATOM 792 CB ALA A 53 42.787 43.196 -13.045 1.00 0.00 C ATOM 0 H ALA A 53 43.125 45.366 -11.941 1.00 0.00 H new ATOM 0 HA ALA A 53 44.928 43.436 -12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 53 42.835 42.293 -13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 53 42.695 42.920 -11.994 1.00 0.00 H new ATOM 0 HB3 ALA A 53 41.921 43.788 -13.341 1.00 0.00 H new ATOM 798 N VAL A 54 43.488 45.375 -15.180 1.00 0.00 N ATOM 799 CA VAL A 54 43.556 45.782 -16.580 1.00 0.00 C ATOM 800 C VAL A 54 44.849 46.543 -16.867 1.00 0.00 C ATOM 801 O VAL A 54 45.286 46.626 -18.014 1.00 0.00 O ATOM 802 CB VAL A 54 42.349 46.660 -16.926 1.00 0.00 C ATOM 803 CG1 VAL A 54 42.747 48.139 -16.891 1.00 0.00 C ATOM 804 CG2 VAL A 54 41.848 46.302 -18.328 1.00 0.00 C ATOM 0 H VAL A 54 42.849 45.925 -14.606 1.00 0.00 H new ATOM 0 HA VAL A 54 43.542 44.884 -17.198 1.00 0.00 H new ATOM 0 HB VAL A 54 41.559 46.486 -16.195 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.882 48.754 -17.138 1.00 0.00 H new ATOM 0 HG12 VAL A 54 43.102 48.397 -15.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 43.540 48.320 -17.616 1.00 0.00 H new ATOM 0 HG21 VAL A 54 40.989 46.925 -18.578 1.00 0.00 H new ATOM 0 HG22 VAL A 54 42.643 46.473 -19.053 1.00 0.00 H new ATOM 0 HG23 VAL A 54 41.554 45.253 -18.353 1.00 0.00 H new ATOM 814 N GLU A 55 45.458 47.097 -15.822 1.00 0.00 N ATOM 815 CA GLU A 55 46.697 47.846 -15.991 1.00 0.00 C ATOM 816 C GLU A 55 47.879 46.895 -16.152 1.00 0.00 C ATOM 817 O GLU A 55 48.600 46.950 -17.149 1.00 0.00 O ATOM 818 CB GLU A 55 46.930 48.757 -14.784 1.00 0.00 C ATOM 819 CG GLU A 55 48.005 49.792 -15.125 1.00 0.00 C ATOM 820 CD GLU A 55 49.392 49.168 -14.998 1.00 0.00 C ATOM 821 OE1 GLU A 55 49.549 48.282 -14.175 1.00 0.00 O ATOM 822 OE2 GLU A 55 50.276 49.585 -15.728 1.00 0.00 O ATOM 0 H GLU A 55 45.118 47.042 -14.862 1.00 0.00 H new ATOM 0 HA GLU A 55 46.610 48.456 -16.890 1.00 0.00 H new ATOM 0 HB2 GLU A 55 46.002 49.258 -14.509 1.00 0.00 H new ATOM 0 HB3 GLU A 55 47.240 48.165 -13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 55 47.856 50.162 -16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 55 47.921 50.649 -14.457 1.00 0.00 H new ATOM 829 N VAL A 56 48.074 46.028 -15.163 1.00 0.00 N ATOM 830 CA VAL A 56 49.175 45.073 -15.205 1.00 0.00 C ATOM 831 C VAL A 56 49.208 44.347 -16.547 1.00 0.00 C ATOM 832 O VAL A 56 50.278 44.022 -17.060 1.00 0.00 O ATOM 833 CB VAL A 56 49.033 44.055 -14.071 1.00 0.00 C ATOM 834 CG1 VAL A 56 47.686 43.340 -14.188 1.00 0.00 C ATOM 835 CG2 VAL A 56 50.164 43.029 -14.165 1.00 0.00 C ATOM 0 H VAL A 56 47.489 45.967 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 56 50.109 45.622 -15.081 1.00 0.00 H new ATOM 0 HB VAL A 56 49.086 44.571 -13.112 1.00 0.00 H new ATOM 0 HG11 VAL A 56 47.587 42.616 -13.380 1.00 0.00 H new ATOM 0 HG12 VAL A 56 46.879 44.070 -14.122 1.00 0.00 H new ATOM 0 HG13 VAL A 56 47.630 42.824 -15.146 1.00 0.00 H new ATOM 0 HG21 VAL A 56 50.065 42.303 -13.358 1.00 0.00 H new ATOM 0 HG22 VAL A 56 50.110 42.515 -15.125 1.00 0.00 H new ATOM 0 HG23 VAL A 56 51.124 43.537 -14.079 1.00 0.00 H new ATOM 845 N LEU A 57 48.031 44.101 -17.113 1.00 0.00 N ATOM 846 CA LEU A 57 47.947 43.418 -18.400 1.00 0.00 C ATOM 847 C LEU A 57 48.598 44.266 -19.488 1.00 0.00 C ATOM 848 O LEU A 57 49.301 43.750 -20.356 1.00 0.00 O ATOM 849 CB LEU A 57 46.486 43.147 -18.763 1.00 0.00 C ATOM 850 CG LEU A 57 46.193 41.652 -18.620 1.00 0.00 C ATOM 851 CD1 LEU A 57 46.256 41.256 -17.144 1.00 0.00 C ATOM 852 CD2 LEU A 57 44.796 41.353 -19.167 1.00 0.00 C ATOM 0 H LEU A 57 47.132 44.360 -16.707 1.00 0.00 H new ATOM 0 HA LEU A 57 48.475 42.468 -18.323 1.00 0.00 H new ATOM 0 HB2 LEU A 57 45.826 43.721 -18.113 1.00 0.00 H new ATOM 0 HB3 LEU A 57 46.288 43.471 -19.785 1.00 0.00 H new ATOM 0 HG LEU A 57 46.935 41.082 -19.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 46.047 40.191 -17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 57 47.251 41.469 -16.752 1.00 0.00 H new ATOM 0 HD13 LEU A 57 45.515 41.825 -16.583 1.00 0.00 H new ATOM 0 HD21 LEU A 57 44.586 40.288 -19.066 1.00 0.00 H new ATOM 0 HD22 LEU A 57 44.056 41.924 -18.606 1.00 0.00 H new ATOM 0 HD23 LEU A 57 44.750 41.634 -20.219 1.00 0.00 H new ATOM 864 N LYS A 58 48.365 45.572 -19.424 1.00 0.00 N ATOM 865 CA LYS A 58 48.938 46.494 -20.398 1.00 0.00 C ATOM 866 C LYS A 58 50.456 46.546 -20.257 1.00 0.00 C ATOM 867 O LYS A 58 51.179 46.559 -21.253 1.00 0.00 O ATOM 868 CB LYS A 58 48.357 47.895 -20.190 1.00 0.00 C ATOM 869 CG LYS A 58 46.890 47.913 -20.631 1.00 0.00 C ATOM 870 CD LYS A 58 46.814 47.920 -22.159 1.00 0.00 C ATOM 871 CE LYS A 58 45.373 48.186 -22.598 1.00 0.00 C ATOM 872 NZ LYS A 58 44.533 46.993 -22.294 1.00 0.00 N ATOM 0 H LYS A 58 47.786 46.015 -18.711 1.00 0.00 H new ATOM 0 HA LYS A 58 48.689 46.140 -21.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 48.435 48.180 -19.141 1.00 0.00 H new ATOM 0 HB3 LYS A 58 48.928 48.626 -20.763 1.00 0.00 H new ATOM 0 HG2 LYS A 58 46.370 47.041 -20.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.389 48.793 -20.228 1.00 0.00 H new ATOM 0 HD2 LYS A 58 47.476 48.686 -22.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 47.155 46.963 -22.555 1.00 0.00 H new ATOM 0 HE2 LYS A 58 44.980 49.062 -22.082 1.00 0.00 H new ATOM 0 HE3 LYS A 58 45.341 48.404 -23.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 43.579 47.132 -22.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 44.962 46.148 -22.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 44.472 46.865 -21.264 1.00 0.00 H new ATOM 886 N ARG A 59 50.933 46.581 -19.017 1.00 0.00 N ATOM 887 CA ARG A 59 52.368 46.638 -18.761 1.00 0.00 C ATOM 888 C ARG A 59 53.050 45.342 -19.193 1.00 0.00 C ATOM 889 O ARG A 59 54.220 45.346 -19.576 1.00 0.00 O ATOM 890 CB ARG A 59 52.623 46.879 -17.272 1.00 0.00 C ATOM 891 CG ARG A 59 54.060 47.362 -17.071 1.00 0.00 C ATOM 892 CD ARG A 59 54.917 46.213 -16.536 1.00 0.00 C ATOM 893 NE ARG A 59 56.277 46.675 -16.278 1.00 0.00 N ATOM 894 CZ ARG A 59 57.143 45.949 -15.568 1.00 0.00 C ATOM 895 NH1 ARG A 59 56.797 44.787 -15.075 1.00 0.00 N ATOM 896 NH2 ARG A 59 58.349 46.404 -15.363 1.00 0.00 N ATOM 0 H ARG A 59 50.352 46.571 -18.179 1.00 0.00 H new ATOM 0 HA ARG A 59 52.785 47.461 -19.341 1.00 0.00 H new ATOM 0 HB2 ARG A 59 51.922 47.620 -16.888 1.00 0.00 H new ATOM 0 HB3 ARG A 59 52.455 45.960 -16.710 1.00 0.00 H new ATOM 0 HG2 ARG A 59 54.468 47.725 -18.015 1.00 0.00 H new ATOM 0 HG3 ARG A 59 54.079 48.199 -16.373 1.00 0.00 H new ATOM 0 HD2 ARG A 59 54.479 45.820 -15.619 1.00 0.00 H new ATOM 0 HD3 ARG A 59 54.934 45.396 -17.257 1.00 0.00 H new ATOM 0 HE ARG A 59 56.574 47.577 -16.650 1.00 0.00 H new ATOM 0 HH11 ARG A 59 55.856 44.426 -15.232 1.00 0.00 H new ATOM 0 HH12 ARG A 59 57.469 44.242 -14.534 1.00 0.00 H new ATOM 0 HH21 ARG A 59 58.624 47.309 -15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.016 45.855 -14.821 1.00 0.00 H new ATOM 910 N GLU A 60 52.316 44.236 -19.126 1.00 0.00 N ATOM 911 CA GLU A 60 52.869 42.941 -19.509 1.00 0.00 C ATOM 912 C GLU A 60 52.038 42.308 -20.621 1.00 0.00 C ATOM 913 O GLU A 60 51.296 41.355 -20.389 1.00 0.00 O ATOM 914 CB GLU A 60 52.895 42.007 -18.297 1.00 0.00 C ATOM 915 CG GLU A 60 53.807 42.596 -17.219 1.00 0.00 C ATOM 916 CD GLU A 60 55.263 42.503 -17.661 1.00 0.00 C ATOM 917 OE1 GLU A 60 55.527 41.798 -18.621 1.00 0.00 O ATOM 918 OE2 GLU A 60 56.094 43.139 -17.033 1.00 0.00 O ATOM 0 H GLU A 60 51.346 44.209 -18.813 1.00 0.00 H new ATOM 0 HA GLU A 60 53.885 43.095 -19.874 1.00 0.00 H new ATOM 0 HB2 GLU A 60 51.887 41.876 -17.904 1.00 0.00 H new ATOM 0 HB3 GLU A 60 53.253 41.021 -18.592 1.00 0.00 H new ATOM 0 HG2 GLU A 60 53.540 43.636 -17.034 1.00 0.00 H new ATOM 0 HG3 GLU A 60 53.668 42.059 -16.280 1.00 0.00 H new ATOM 925 N PRO A 61 52.156 42.820 -21.817 1.00 0.00 N ATOM 926 CA PRO A 61 51.406 42.297 -22.997 1.00 0.00 C ATOM 927 C PRO A 61 51.949 40.953 -23.486 1.00 0.00 C ATOM 928 O PRO A 61 51.364 40.323 -24.367 1.00 0.00 O ATOM 929 CB PRO A 61 51.601 43.383 -24.057 1.00 0.00 C ATOM 930 CG PRO A 61 52.880 44.063 -23.695 1.00 0.00 C ATOM 931 CD PRO A 61 53.019 43.957 -22.176 1.00 0.00 C ATOM 0 HA PRO A 61 50.359 42.104 -22.761 1.00 0.00 H new ATOM 0 HB2 PRO A 61 51.654 42.952 -25.057 1.00 0.00 H new ATOM 0 HB3 PRO A 61 50.768 44.086 -24.057 1.00 0.00 H new ATOM 0 HG2 PRO A 61 53.725 43.590 -24.195 1.00 0.00 H new ATOM 0 HG3 PRO A 61 52.867 45.106 -24.011 1.00 0.00 H new ATOM 0 HD2 PRO A 61 54.054 43.781 -21.881 1.00 0.00 H new ATOM 0 HD3 PRO A 61 52.698 44.874 -21.681 1.00 0.00 H new ATOM 939 N LEU A 62 53.071 40.521 -22.914 1.00 0.00 N ATOM 940 CA LEU A 62 53.679 39.256 -23.305 1.00 0.00 C ATOM 941 C LEU A 62 52.696 38.106 -23.113 1.00 0.00 C ATOM 942 O LEU A 62 52.610 37.204 -23.946 1.00 0.00 O ATOM 943 CB LEU A 62 54.934 39.001 -22.468 1.00 0.00 C ATOM 944 CG LEU A 62 55.697 37.807 -23.042 1.00 0.00 C ATOM 945 CD1 LEU A 62 57.200 38.085 -22.985 1.00 0.00 C ATOM 946 CD2 LEU A 62 55.379 36.557 -22.220 1.00 0.00 C ATOM 0 H LEU A 62 53.573 41.026 -22.183 1.00 0.00 H new ATOM 0 HA LEU A 62 53.950 39.315 -24.359 1.00 0.00 H new ATOM 0 HB2 LEU A 62 55.570 39.886 -22.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 54.659 38.806 -21.431 1.00 0.00 H new ATOM 0 HG LEU A 62 55.397 37.648 -24.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 57.743 37.233 -23.394 1.00 0.00 H new ATOM 0 HD12 LEU A 62 57.428 38.976 -23.570 1.00 0.00 H new ATOM 0 HD13 LEU A 62 57.502 38.244 -21.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 55.922 35.705 -22.628 1.00 0.00 H new ATOM 0 HD22 LEU A 62 55.679 36.716 -21.184 1.00 0.00 H new ATOM 0 HD23 LEU A 62 54.308 36.358 -22.261 1.00 0.00 H new ATOM 958 N ASN A 63 51.958 38.144 -22.008 1.00 0.00 N ATOM 959 CA ASN A 63 50.985 37.099 -21.716 1.00 0.00 C ATOM 960 C ASN A 63 49.875 37.090 -22.762 1.00 0.00 C ATOM 961 O ASN A 63 49.288 36.047 -23.048 1.00 0.00 O ATOM 962 CB ASN A 63 50.383 37.320 -20.326 1.00 0.00 C ATOM 963 CG ASN A 63 49.420 38.502 -20.353 1.00 0.00 C ATOM 964 OD1 ASN A 63 49.694 39.513 -21.000 1.00 0.00 O ATOM 965 ND2 ASN A 63 48.302 38.436 -19.684 1.00 0.00 N ATOM 0 H ASN A 63 52.015 38.881 -21.305 1.00 0.00 H new ATOM 0 HA ASN A 63 51.495 36.136 -21.741 1.00 0.00 H new ATOM 0 HB2 ASN A 63 49.859 36.421 -20.001 1.00 0.00 H new ATOM 0 HB3 ASN A 63 51.177 37.505 -19.603 1.00 0.00 H new ATOM 0 HD21 ASN A 63 47.653 39.223 -19.696 1.00 0.00 H new ATOM 0 HD22 ASN A 63 48.077 37.598 -19.149 1.00 0.00 H new ATOM 972 N TYR A 64 49.593 38.258 -23.330 1.00 0.00 N ATOM 973 CA TYR A 64 48.551 38.369 -24.345 1.00 0.00 C ATOM 974 C TYR A 64 49.033 37.789 -25.670 1.00 0.00 C ATOM 975 O TYR A 64 48.289 37.098 -26.366 1.00 0.00 O ATOM 976 CB TYR A 64 48.163 39.836 -24.537 1.00 0.00 C ATOM 977 CG TYR A 64 47.029 39.931 -25.529 1.00 0.00 C ATOM 978 CD1 TYR A 64 45.718 39.656 -25.122 1.00 0.00 C ATOM 979 CD2 TYR A 64 47.288 40.293 -26.856 1.00 0.00 C ATOM 980 CE1 TYR A 64 44.666 39.744 -26.042 1.00 0.00 C ATOM 981 CE2 TYR A 64 46.236 40.381 -27.776 1.00 0.00 C ATOM 982 CZ TYR A 64 44.925 40.106 -27.369 1.00 0.00 C ATOM 983 OH TYR A 64 43.888 40.193 -28.275 1.00 0.00 O ATOM 0 H TYR A 64 50.066 39.134 -23.108 1.00 0.00 H new ATOM 0 HA TYR A 64 47.680 37.806 -24.010 1.00 0.00 H new ATOM 0 HB2 TYR A 64 47.864 40.272 -23.584 1.00 0.00 H new ATOM 0 HB3 TYR A 64 49.021 40.406 -24.893 1.00 0.00 H new ATOM 0 HD1 TYR A 64 45.518 39.376 -24.098 1.00 0.00 H new ATOM 0 HD2 TYR A 64 48.299 40.504 -27.170 1.00 0.00 H new ATOM 0 HE1 TYR A 64 43.655 39.533 -25.728 1.00 0.00 H new ATOM 0 HE2 TYR A 64 46.436 40.661 -28.800 1.00 0.00 H new ATOM 0 HH TYR A 64 44.240 40.457 -29.151 1.00 0.00 H new ATOM 993 N LEU A 65 50.284 38.078 -26.012 1.00 0.00 N ATOM 994 CA LEU A 65 50.862 37.583 -27.256 1.00 0.00 C ATOM 995 C LEU A 65 51.095 36.074 -27.170 1.00 0.00 C ATOM 996 O LEU A 65 51.178 35.518 -26.075 1.00 0.00 O ATOM 997 CB LEU A 65 52.189 38.295 -27.530 1.00 0.00 C ATOM 998 CG LEU A 65 51.933 39.784 -27.771 1.00 0.00 C ATOM 999 CD1 LEU A 65 53.267 40.534 -27.792 1.00 0.00 C ATOM 1000 CD2 LEU A 65 51.224 39.971 -29.116 1.00 0.00 C ATOM 0 H LEU A 65 50.914 38.649 -25.449 1.00 0.00 H new ATOM 0 HA LEU A 65 50.167 37.786 -28.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 52.865 38.164 -26.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 52.677 37.854 -28.399 1.00 0.00 H new ATOM 0 HG LEU A 65 51.305 40.177 -26.971 1.00 0.00 H new ATOM 0 HD11 LEU A 65 53.085 41.595 -27.964 1.00 0.00 H new ATOM 0 HD12 LEU A 65 53.773 40.403 -26.836 1.00 0.00 H new ATOM 0 HD13 LEU A 65 53.894 40.139 -28.592 1.00 0.00 H new ATOM 0 HD21 LEU A 65 51.042 41.032 -29.287 1.00 0.00 H new ATOM 0 HD22 LEU A 65 51.851 39.577 -29.916 1.00 0.00 H new ATOM 0 HD23 LEU A 65 50.274 39.437 -29.104 1.00 0.00 H new ATOM 1012 N PRO A 66 51.201 35.403 -28.291 1.00 0.00 N ATOM 1013 CA PRO A 66 51.429 33.928 -28.321 1.00 0.00 C ATOM 1014 C PRO A 66 52.629 33.515 -27.473 1.00 0.00 C ATOM 1015 O PRO A 66 53.656 34.194 -27.461 1.00 0.00 O ATOM 1016 CB PRO A 66 51.678 33.622 -29.801 1.00 0.00 C ATOM 1017 CG PRO A 66 51.034 34.739 -30.550 1.00 0.00 C ATOM 1018 CD PRO A 66 51.117 35.969 -29.649 1.00 0.00 C ATOM 0 HA PRO A 66 50.584 33.378 -27.906 1.00 0.00 H new ATOM 0 HB2 PRO A 66 52.745 33.568 -30.017 1.00 0.00 H new ATOM 0 HB3 PRO A 66 51.247 32.661 -30.081 1.00 0.00 H new ATOM 0 HG2 PRO A 66 51.544 34.916 -31.497 1.00 0.00 H new ATOM 0 HG3 PRO A 66 49.997 34.501 -30.787 1.00 0.00 H new ATOM 0 HD2 PRO A 66 51.990 36.579 -29.883 1.00 0.00 H new ATOM 0 HD3 PRO A 66 50.242 36.608 -29.763 1.00 0.00 H new