USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 34 TYR OH : rot 30:sc= 1.05 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.133 K(o=1.2,f=-0.25!) USER MOD Set 2.2: A 33 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.232 (180deg=-0.938) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -84:sc= 0.731 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0309 USER MOD Single : A 6 CYS SG : rot 86:sc= -1.76 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0796) USER MOD Single : A 14 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.3) USER MOD Single : A 21 THR OG1 : rot -60:sc= 0.27 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.283 (180deg=-1.12!) USER MOD Single : A 23 HIS : no HD1:sc=-0.00174 X(o=-0.0017,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 28 THR OG1 : rot 79:sc= -0.573 USER MOD Single : A 30 THR OG1 : rot 77:sc= 0.747 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -2.58! USER MOD Single : A 43 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 45 GLN : amide:sc= 0.251 X(o=0.25,f=-0.053) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.0748 (180deg=-0.473) USER MOD Single : A 53 MET CE :methyl -145:sc= -0.309 (180deg=-0.965) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 66 THR OG1 : rot -110:sc= -1.61 USER MOD Single : A 68 SER OG : rot 180:sc= 0.798 USER MOD Single : A 76 SER OG : rot 77:sc= 1.24 USER MOD Single : A 82 THR OG1 : rot 54:sc= 1.26 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.39! C(o=-2.4!,f=-10!) USER MOD Single : A 98 TYR OH : rot -168:sc= 0.231 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.767 K(o=-0.77,f=0.043) USER MOD Single : A 103 HIS : no HD1:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.0083) USER MOD Single : A 106 HIS : no HE2:sc= -0.391 K(o=-0.39,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.026 3.820 5.958 1.00 0.00 N ATOM 2 CA MET A 1 -14.109 3.818 4.799 1.00 0.00 C ATOM 3 C MET A 1 -13.213 2.591 4.836 1.00 0.00 C ATOM 4 O MET A 1 -12.513 2.348 5.821 1.00 0.00 O ATOM 5 CB MET A 1 -13.236 5.073 4.801 1.00 0.00 C ATOM 6 CG MET A 1 -12.327 5.171 3.586 1.00 0.00 C ATOM 7 SD MET A 1 -13.225 5.575 2.080 1.00 0.00 S ATOM 8 CE MET A 1 -13.870 7.196 2.488 1.00 0.00 C ATOM 0 H1 MET A 1 -15.632 4.664 5.920 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.619 2.966 5.933 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.473 3.831 6.838 1.00 0.00 H new ATOM 0 HA MET A 1 -14.714 3.801 3.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.877 5.954 4.839 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.627 5.083 5.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.567 5.931 3.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.805 4.224 3.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.051 7.757 1.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.805 7.088 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.147 7.731 3.104 1.00 0.00 H new ATOM 20 N THR A 2 -13.227 1.823 3.765 1.00 0.00 N ATOM 21 CA THR A 2 -12.377 0.652 3.671 1.00 0.00 C ATOM 22 C THR A 2 -11.096 1.005 2.929 1.00 0.00 C ATOM 23 O THR A 2 -11.020 2.053 2.277 1.00 0.00 O ATOM 24 CB THR A 2 -13.095 -0.517 2.964 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.577 -0.099 1.680 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.258 -1.025 3.808 1.00 0.00 C ATOM 0 H THR A 2 -13.816 1.988 2.949 1.00 0.00 H new ATOM 0 HA THR A 2 -12.136 0.328 4.683 1.00 0.00 H new ATOM 0 HB THR A 2 -12.377 -1.327 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.446 0.342 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.750 -1.849 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.884 -1.373 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.973 -0.217 3.966 1.00 0.00 H new ATOM 34 N PHE A 3 -10.089 0.149 3.041 1.00 0.00 N ATOM 35 CA PHE A 3 -8.814 0.383 2.381 1.00 0.00 C ATOM 36 C PHE A 3 -9.006 0.443 0.870 1.00 0.00 C ATOM 37 O PHE A 3 -8.408 1.280 0.197 1.00 0.00 O ATOM 38 CB PHE A 3 -7.808 -0.711 2.747 1.00 0.00 C ATOM 39 CG PHE A 3 -6.443 -0.503 2.150 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.578 0.445 2.674 1.00 0.00 C ATOM 41 CD2 PHE A 3 -6.030 -1.252 1.060 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.325 0.638 2.124 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.779 -1.064 0.507 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.926 -0.116 1.037 1.00 0.00 C ATOM 0 H PHE A 3 -10.132 -0.714 3.583 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.419 1.340 2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.716 -0.760 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.196 -1.674 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.887 1.039 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.694 -1.992 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.658 1.377 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.468 -1.658 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.949 0.036 0.603 1.00 0.00 H new ATOM 54 N SER A 4 -9.862 -0.436 0.351 1.00 0.00 N ATOM 55 CA SER A 4 -10.170 -0.463 -1.076 1.00 0.00 C ATOM 56 C SER A 4 -10.737 0.876 -1.528 1.00 0.00 C ATOM 57 O SER A 4 -10.304 1.429 -2.534 1.00 0.00 O ATOM 58 CB SER A 4 -11.168 -1.581 -1.389 1.00 0.00 C ATOM 59 OG SER A 4 -10.669 -2.840 -0.975 1.00 0.00 O ATOM 0 H SER A 4 -10.355 -1.140 0.900 1.00 0.00 H new ATOM 0 HA SER A 4 -9.244 -0.654 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.115 -1.379 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.372 -1.601 -2.460 1.00 0.00 H new ATOM 0 HG SER A 4 -11.325 -3.537 -1.184 1.00 0.00 H new ATOM 65 N GLU A 5 -11.691 1.398 -0.764 1.00 0.00 N ATOM 66 CA GLU A 5 -12.319 2.671 -1.081 1.00 0.00 C ATOM 67 C GLU A 5 -11.305 3.803 -1.057 1.00 0.00 C ATOM 68 O GLU A 5 -11.226 4.593 -1.992 1.00 0.00 O ATOM 69 CB GLU A 5 -13.434 2.961 -0.088 1.00 0.00 C ATOM 70 CG GLU A 5 -14.635 2.059 -0.250 1.00 0.00 C ATOM 71 CD GLU A 5 -15.645 2.258 0.852 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.354 1.862 1.999 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.737 2.795 0.578 1.00 0.00 O ATOM 0 H GLU A 5 -12.046 0.954 0.083 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.734 2.603 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.044 2.856 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.750 3.998 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.107 2.253 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.309 1.019 -0.259 1.00 0.00 H new ATOM 80 N CYS A 6 -10.524 3.857 0.013 1.00 0.00 N ATOM 81 CA CYS A 6 -9.544 4.920 0.200 1.00 0.00 C ATOM 82 C CYS A 6 -8.487 4.866 -0.894 1.00 0.00 C ATOM 83 O CYS A 6 -8.146 5.886 -1.498 1.00 0.00 O ATOM 84 CB CYS A 6 -8.880 4.783 1.570 1.00 0.00 C ATOM 85 SG CYS A 6 -7.925 6.229 2.078 1.00 0.00 S ATOM 0 H CYS A 6 -10.550 3.173 0.769 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.057 5.880 0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.650 4.590 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.223 3.914 1.557 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.712 7.088 2.655 1.00 0.00 H new ATOM 91 N ALA A 7 -7.981 3.668 -1.145 1.00 0.00 N ATOM 92 CA ALA A 7 -7.000 3.456 -2.204 1.00 0.00 C ATOM 93 C ALA A 7 -7.584 3.827 -3.563 1.00 0.00 C ATOM 94 O ALA A 7 -6.927 4.482 -4.371 1.00 0.00 O ATOM 95 CB ALA A 7 -6.521 2.013 -2.223 1.00 0.00 C ATOM 0 H ALA A 7 -8.233 2.825 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.146 4.102 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.791 1.883 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.059 1.770 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.369 1.350 -2.395 1.00 0.00 H new ATOM 101 N ALA A 8 -8.822 3.408 -3.805 1.00 0.00 N ATOM 102 CA ALA A 8 -9.512 3.730 -5.048 1.00 0.00 C ATOM 103 C ALA A 8 -9.697 5.235 -5.196 1.00 0.00 C ATOM 104 O ALA A 8 -9.550 5.773 -6.287 1.00 0.00 O ATOM 105 CB ALA A 8 -10.862 3.030 -5.115 1.00 0.00 C ATOM 0 H ALA A 8 -9.369 2.843 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.893 3.375 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.358 3.285 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.715 1.951 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.481 3.352 -4.277 1.00 0.00 H new ATOM 111 N LEU A 9 -10.018 5.905 -4.096 1.00 0.00 N ATOM 112 CA LEU A 9 -10.173 7.356 -4.100 1.00 0.00 C ATOM 113 C LEU A 9 -8.851 8.038 -4.426 1.00 0.00 C ATOM 114 O LEU A 9 -8.815 8.996 -5.192 1.00 0.00 O ATOM 115 CB LEU A 9 -10.700 7.856 -2.751 1.00 0.00 C ATOM 116 CG LEU A 9 -12.142 7.457 -2.422 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.556 8.018 -1.069 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.093 7.930 -3.512 1.00 0.00 C ATOM 0 H LEU A 9 -10.176 5.467 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.900 7.610 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.048 7.480 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.628 8.943 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.193 6.369 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.583 7.724 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.896 7.626 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.486 9.106 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.112 7.636 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.039 9.015 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.811 7.478 -4.463 1.00 0.00 H new ATOM 130 N TYR A 10 -7.768 7.531 -3.851 1.00 0.00 N ATOM 131 CA TYR A 10 -6.435 8.053 -4.131 1.00 0.00 C ATOM 132 C TYR A 10 -6.138 7.965 -5.622 1.00 0.00 C ATOM 133 O TYR A 10 -5.638 8.915 -6.230 1.00 0.00 O ATOM 134 CB TYR A 10 -5.380 7.265 -3.350 1.00 0.00 C ATOM 135 CG TYR A 10 -3.956 7.702 -3.629 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.470 8.908 -3.142 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.097 6.909 -4.385 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.174 9.313 -3.397 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.798 7.309 -4.644 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.343 8.512 -4.147 1.00 0.00 C ATOM 141 OH TYR A 10 -0.051 8.916 -4.404 1.00 0.00 O ATOM 0 H TYR A 10 -7.786 6.757 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.402 9.097 -3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.579 7.369 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.479 6.207 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.117 9.541 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.450 5.966 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.814 10.255 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.144 6.682 -5.232 1.00 0.00 H new ATOM 0 HH TYR A 10 0.403 8.237 -4.945 1.00 0.00 H new ATOM 151 N ILE A 11 -6.451 6.816 -6.193 1.00 0.00 N ATOM 152 CA ILE A 11 -6.233 6.570 -7.613 1.00 0.00 C ATOM 153 C ILE A 11 -7.190 7.396 -8.474 1.00 0.00 C ATOM 154 O ILE A 11 -6.769 8.093 -9.391 1.00 0.00 O ATOM 155 CB ILE A 11 -6.407 5.070 -7.938 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.354 4.251 -7.184 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.319 4.818 -9.441 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.558 2.758 -7.284 1.00 0.00 C ATOM 0 H ILE A 11 -6.862 6.029 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.211 6.872 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.399 4.756 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.367 4.500 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.366 4.541 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.445 3.754 -9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.104 5.378 -9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.345 5.143 -9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.775 2.246 -6.726 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.531 2.495 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.516 2.454 -8.330 1.00 0.00 H new ATOM 170 N LYS A 12 -8.473 7.336 -8.145 1.00 0.00 N ATOM 171 CA LYS A 12 -9.519 7.989 -8.926 1.00 0.00 C ATOM 172 C LYS A 12 -9.383 9.513 -8.886 1.00 0.00 C ATOM 173 O LYS A 12 -9.642 10.193 -9.875 1.00 0.00 O ATOM 174 CB LYS A 12 -10.890 7.543 -8.403 1.00 0.00 C ATOM 175 CG LYS A 12 -12.079 8.148 -9.126 1.00 0.00 C ATOM 176 CD LYS A 12 -13.368 7.440 -8.731 1.00 0.00 C ATOM 177 CE LYS A 12 -14.593 8.137 -9.298 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.852 9.441 -8.633 1.00 0.00 N ATOM 0 H LYS A 12 -8.820 6.833 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.417 7.691 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.954 6.457 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.959 7.797 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.154 9.209 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.932 8.072 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.340 6.410 -9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.443 7.401 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.456 8.297 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.464 7.492 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.789 9.793 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.823 9.316 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.125 10.127 -8.919 1.00 0.00 H new ATOM 192 N ALA A 13 -8.945 10.048 -7.757 1.00 0.00 N ATOM 193 CA ALA A 13 -8.769 11.490 -7.628 1.00 0.00 C ATOM 194 C ALA A 13 -7.469 11.954 -8.279 1.00 0.00 C ATOM 195 O ALA A 13 -7.125 13.134 -8.216 1.00 0.00 O ATOM 196 CB ALA A 13 -8.802 11.904 -6.164 1.00 0.00 C ATOM 0 H ALA A 13 -8.706 9.513 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.596 11.971 -8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.669 12.983 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.761 11.625 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.999 11.401 -5.625 1.00 0.00 H new ATOM 202 N HIS A 14 -6.739 11.027 -8.895 1.00 0.00 N ATOM 203 CA HIS A 14 -5.495 11.368 -9.580 1.00 0.00 C ATOM 204 C HIS A 14 -5.391 10.663 -10.929 1.00 0.00 C ATOM 205 O HIS A 14 -4.368 10.755 -11.596 1.00 0.00 O ATOM 206 CB HIS A 14 -4.275 11.007 -8.724 1.00 0.00 C ATOM 207 CG HIS A 14 -4.141 11.822 -7.476 1.00 0.00 C ATOM 208 ND1 HIS A 14 -4.442 11.329 -6.228 1.00 0.00 N ATOM 209 CD2 HIS A 14 -3.746 13.102 -7.286 1.00 0.00 C ATOM 210 CE1 HIS A 14 -4.238 12.268 -5.325 1.00 0.00 C ATOM 211 NE2 HIS A 14 -3.816 13.359 -5.937 1.00 0.00 N ATOM 0 H HIS A 14 -6.986 10.038 -8.934 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.509 12.445 -9.746 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.334 9.953 -8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.374 11.131 -9.325 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.772 10.384 -6.031 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.433 13.795 -8.053 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.391 12.162 -4.261 1.00 0.00 H new ATOM 220 N ARG A 15 -6.451 9.974 -11.336 1.00 0.00 N ATOM 221 CA ARG A 15 -6.424 9.211 -12.582 1.00 0.00 C ATOM 222 C ARG A 15 -6.254 10.139 -13.782 1.00 0.00 C ATOM 223 O ARG A 15 -5.511 9.835 -14.714 1.00 0.00 O ATOM 224 CB ARG A 15 -7.688 8.353 -12.734 1.00 0.00 C ATOM 225 CG ARG A 15 -8.988 9.125 -12.583 1.00 0.00 C ATOM 226 CD ARG A 15 -10.198 8.263 -12.899 1.00 0.00 C ATOM 227 NE ARG A 15 -10.328 8.016 -14.333 1.00 0.00 N ATOM 228 CZ ARG A 15 -10.991 6.989 -14.862 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.558 6.079 -14.078 1.00 0.00 N ATOM 230 NH2 ARG A 15 -11.081 6.873 -16.179 1.00 0.00 N ATOM 0 H ARG A 15 -7.334 9.927 -10.827 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.566 8.540 -12.544 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.674 7.876 -13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.664 7.556 -11.991 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.069 9.505 -11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.976 9.990 -13.246 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.115 7.312 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.100 8.753 -12.531 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.881 8.674 -14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.487 6.164 -13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.064 5.295 -14.490 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.644 7.569 -16.783 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.588 6.088 -16.588 1.00 0.00 H new ATOM 244 N SER A 16 -6.922 11.285 -13.742 1.00 0.00 N ATOM 245 CA SER A 16 -6.799 12.275 -14.792 1.00 0.00 C ATOM 246 C SER A 16 -5.429 12.948 -14.745 1.00 0.00 C ATOM 247 O SER A 16 -4.964 13.518 -15.733 1.00 0.00 O ATOM 248 CB SER A 16 -7.910 13.303 -14.639 1.00 0.00 C ATOM 249 OG SER A 16 -9.183 12.679 -14.688 1.00 0.00 O ATOM 0 H SER A 16 -7.556 11.548 -12.988 1.00 0.00 H new ATOM 0 HA SER A 16 -6.892 11.785 -15.761 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.795 13.831 -13.693 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.834 14.048 -15.431 1.00 0.00 H new ATOM 0 HG SER A 16 -9.884 13.357 -14.586 1.00 0.00 H new ATOM 255 N SER A 17 -4.788 12.878 -13.594 1.00 0.00 N ATOM 256 CA SER A 17 -3.457 13.417 -13.429 1.00 0.00 C ATOM 257 C SER A 17 -2.420 12.439 -13.974 1.00 0.00 C ATOM 258 O SER A 17 -1.449 12.842 -14.619 1.00 0.00 O ATOM 259 CB SER A 17 -3.203 13.684 -11.952 1.00 0.00 C ATOM 260 OG SER A 17 -4.301 14.369 -11.366 1.00 0.00 O ATOM 0 H SER A 17 -5.174 12.448 -12.754 1.00 0.00 H new ATOM 0 HA SER A 17 -3.374 14.351 -13.985 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.037 12.741 -11.431 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.295 14.276 -11.836 1.00 0.00 H new ATOM 0 HG SER A 17 -4.118 14.529 -10.417 1.00 0.00 H new ATOM 266 N TRP A 18 -2.642 11.152 -13.720 1.00 0.00 N ATOM 267 CA TRP A 18 -1.714 10.109 -14.141 1.00 0.00 C ATOM 268 C TRP A 18 -1.844 9.816 -15.629 1.00 0.00 C ATOM 269 O TRP A 18 -0.859 9.440 -16.272 1.00 0.00 O ATOM 270 CB TRP A 18 -1.951 8.823 -13.347 1.00 0.00 C ATOM 271 CG TRP A 18 -1.704 8.961 -11.876 1.00 0.00 C ATOM 272 CD1 TRP A 18 -1.030 9.961 -11.238 1.00 0.00 C ATOM 273 CD2 TRP A 18 -2.122 8.048 -10.861 1.00 0.00 C ATOM 274 NE1 TRP A 18 -1.013 9.728 -9.883 1.00 0.00 N ATOM 275 CE2 TRP A 18 -1.673 8.555 -9.628 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.833 6.849 -10.880 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.917 7.900 -8.423 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -3.072 6.200 -9.689 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.614 6.725 -8.473 1.00 0.00 C ATOM 0 H TRP A 18 -3.462 10.806 -13.222 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.706 10.474 -13.946 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.979 8.496 -13.503 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.304 8.040 -13.742 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.576 10.811 -11.726 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.580 10.330 -9.183 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.190 6.436 -11.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.569 8.305 -7.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.622 5.270 -9.692 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.816 6.190 -7.557 1.00 0.00 H new ATOM 290 N LYS A 19 -3.058 9.977 -16.168 1.00 0.00 N ATOM 291 CA LYS A 19 -3.315 9.727 -17.567 1.00 0.00 C ATOM 292 C LYS A 19 -3.400 8.203 -17.777 1.00 0.00 C ATOM 293 O LYS A 19 -3.638 7.537 -16.770 1.00 0.00 O ATOM 294 CB LYS A 19 -2.378 10.568 -18.416 1.00 0.00 C ATOM 295 CG LYS A 19 -2.705 12.049 -18.360 1.00 0.00 C ATOM 296 CD LYS A 19 -4.095 12.316 -18.924 1.00 0.00 C ATOM 297 CE LYS A 19 -4.482 13.777 -18.804 1.00 0.00 C ATOM 298 NZ LYS A 19 -5.844 14.033 -19.337 1.00 0.00 N ATOM 0 H LYS A 19 -3.876 10.282 -15.641 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.285 10.071 -17.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.353 10.414 -18.079 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.428 10.228 -19.450 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.652 12.399 -17.329 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.963 12.612 -18.926 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.125 12.017 -19.972 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.825 11.702 -18.396 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.438 14.080 -17.758 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.760 14.390 -19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.072 15.043 -19.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.879 13.768 -20.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.537 13.468 -18.806 1.00 0.00 H new ATOM 312 N ASN A 20 -3.258 7.547 -18.950 1.00 0.00 N ATOM 313 CA ASN A 20 -2.123 7.487 -19.923 1.00 0.00 C ATOM 314 C ASN A 20 -1.061 6.556 -19.364 1.00 0.00 C ATOM 315 O ASN A 20 -0.597 6.731 -18.239 1.00 0.00 O ATOM 316 CB ASN A 20 -1.472 8.791 -20.378 1.00 0.00 C ATOM 317 CG ASN A 20 -0.244 8.576 -21.240 1.00 0.00 C ATOM 318 OD1 ASN A 20 -0.344 8.320 -22.436 1.00 0.00 O ATOM 319 ND2 ASN A 20 0.926 8.728 -20.643 1.00 0.00 N ATOM 0 H ASN A 20 -4.030 6.972 -19.287 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.590 7.129 -20.840 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.201 9.378 -20.936 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.195 9.376 -19.501 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.788 8.633 -21.179 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.966 8.940 -19.646 1.00 0.00 H new ATOM 326 N THR A 21 -0.705 5.565 -20.183 1.00 0.00 N ATOM 327 CA THR A 21 0.162 4.432 -19.816 1.00 0.00 C ATOM 328 C THR A 21 -0.507 3.521 -18.789 1.00 0.00 C ATOM 329 O THR A 21 -1.566 3.837 -18.238 1.00 0.00 O ATOM 330 CB THR A 21 1.571 4.835 -19.289 1.00 0.00 C ATOM 331 OG1 THR A 21 1.504 5.414 -17.979 1.00 0.00 O ATOM 332 CG2 THR A 21 2.265 5.798 -20.237 1.00 0.00 C ATOM 0 H THR A 21 -1.020 5.523 -21.152 1.00 0.00 H new ATOM 0 HA THR A 21 0.312 3.900 -20.755 1.00 0.00 H new ATOM 0 HB THR A 21 2.154 3.916 -19.231 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.949 6.221 -18.006 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.245 6.058 -19.838 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.384 5.326 -21.212 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.665 6.702 -20.342 1.00 0.00 H new ATOM 340 N LYS A 22 0.117 2.378 -18.539 1.00 0.00 N ATOM 341 CA LYS A 22 -0.410 1.391 -17.603 1.00 0.00 C ATOM 342 C LYS A 22 -0.017 1.721 -16.165 1.00 0.00 C ATOM 343 O LYS A 22 -0.171 0.899 -15.269 1.00 0.00 O ATOM 344 CB LYS A 22 0.105 0.001 -17.972 1.00 0.00 C ATOM 345 CG LYS A 22 -0.509 -0.560 -19.246 1.00 0.00 C ATOM 346 CD LYS A 22 -1.877 -1.180 -18.994 1.00 0.00 C ATOM 347 CE LYS A 22 -1.759 -2.512 -18.266 1.00 0.00 C ATOM 348 NZ LYS A 22 -3.082 -3.152 -18.044 1.00 0.00 N ATOM 0 H LYS A 22 0.998 2.108 -18.976 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.498 1.411 -17.670 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.188 0.044 -18.089 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.100 -0.683 -17.149 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.602 0.236 -19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.157 -1.312 -19.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.486 -0.494 -18.404 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.392 -1.327 -19.943 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.125 -3.184 -18.844 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.267 -2.357 -17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.001 -3.863 -17.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.775 -2.429 -17.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.397 -3.612 -18.922 1.00 0.00 H new ATOM 362 N HIS A 23 0.487 2.927 -15.955 1.00 0.00 N ATOM 363 CA HIS A 23 0.905 3.377 -14.627 1.00 0.00 C ATOM 364 C HIS A 23 -0.280 3.389 -13.664 1.00 0.00 C ATOM 365 O HIS A 23 -0.179 2.894 -12.544 1.00 0.00 O ATOM 366 CB HIS A 23 1.528 4.775 -14.721 1.00 0.00 C ATOM 367 CG HIS A 23 2.807 4.924 -13.954 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.975 5.833 -12.933 1.00 0.00 N ATOM 369 CD2 HIS A 23 3.995 4.283 -14.083 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.206 5.744 -12.463 1.00 0.00 C ATOM 371 NE2 HIS A 23 4.845 4.812 -13.142 1.00 0.00 N ATOM 0 H HIS A 23 0.619 3.621 -16.691 1.00 0.00 H new ATOM 0 HA HIS A 23 1.650 2.681 -14.242 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.715 5.009 -15.769 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.809 5.508 -14.355 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.229 3.503 -14.792 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.619 6.335 -11.659 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.814 4.529 -12.993 1.00 0.00 H new ATOM 380 N ALA A 24 -1.408 3.933 -14.118 1.00 0.00 N ATOM 381 CA ALA A 24 -2.620 3.976 -13.305 1.00 0.00 C ATOM 382 C ALA A 24 -3.164 2.568 -13.083 1.00 0.00 C ATOM 383 O ALA A 24 -3.698 2.252 -12.019 1.00 0.00 O ATOM 384 CB ALA A 24 -3.673 4.855 -13.969 1.00 0.00 C ATOM 0 H ALA A 24 -1.507 4.350 -15.044 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.371 4.406 -12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.571 4.877 -13.351 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.284 5.867 -14.081 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.918 4.450 -14.951 1.00 0.00 H new ATOM 390 N ASP A 25 -3.015 1.728 -14.102 1.00 0.00 N ATOM 391 CA ASP A 25 -3.428 0.329 -14.022 1.00 0.00 C ATOM 392 C ASP A 25 -2.615 -0.390 -12.959 1.00 0.00 C ATOM 393 O ASP A 25 -3.162 -1.085 -12.111 1.00 0.00 O ATOM 394 CB ASP A 25 -3.234 -0.360 -15.376 1.00 0.00 C ATOM 395 CG ASP A 25 -3.691 -1.814 -15.388 1.00 0.00 C ATOM 396 OD1 ASP A 25 -2.983 -2.678 -14.834 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.737 -2.103 -16.006 1.00 0.00 O ATOM 0 H ASP A 25 -2.609 1.993 -14.999 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.484 0.290 -13.755 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.784 0.192 -16.138 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.180 -0.316 -15.650 1.00 0.00 H new ATOM 402 N GLN A 26 -1.304 -0.177 -13.001 1.00 0.00 N ATOM 403 CA GLN A 26 -0.376 -0.791 -12.063 1.00 0.00 C ATOM 404 C GLN A 26 -0.728 -0.450 -10.619 1.00 0.00 C ATOM 405 O GLN A 26 -0.656 -1.306 -9.739 1.00 0.00 O ATOM 406 CB GLN A 26 1.048 -0.339 -12.385 1.00 0.00 C ATOM 407 CG GLN A 26 1.650 -1.046 -13.586 1.00 0.00 C ATOM 408 CD GLN A 26 3.068 -0.595 -13.874 1.00 0.00 C ATOM 409 OE1 GLN A 26 3.809 -0.202 -12.970 1.00 0.00 O ATOM 410 NE2 GLN A 26 3.458 -0.652 -15.136 1.00 0.00 N ATOM 0 H GLN A 26 -0.856 0.428 -13.689 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.449 -1.873 -12.168 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.047 0.735 -12.569 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.682 -0.513 -11.515 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.643 -2.122 -13.412 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.028 -0.861 -14.462 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.814 -0.983 -15.854 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.403 -0.365 -15.391 1.00 0.00 H new ATOM 419 N TRP A 27 -1.115 0.796 -10.380 1.00 0.00 N ATOM 420 CA TRP A 27 -1.531 1.216 -9.046 1.00 0.00 C ATOM 421 C TRP A 27 -2.732 0.404 -8.566 1.00 0.00 C ATOM 422 O TRP A 27 -2.712 -0.165 -7.475 1.00 0.00 O ATOM 423 CB TRP A 27 -1.870 2.707 -9.036 1.00 0.00 C ATOM 424 CG TRP A 27 -0.684 3.594 -8.818 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.155 4.106 -9.768 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.209 4.081 -7.559 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.119 4.886 -9.172 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.918 4.883 -7.818 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.630 3.916 -6.238 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.628 5.519 -6.802 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.077 4.546 -5.232 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.194 5.339 -5.518 1.00 0.00 C ATOM 0 H TRP A 27 -1.150 1.531 -11.087 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.700 1.037 -8.364 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.339 2.970 -9.984 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.604 2.898 -8.253 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.073 3.925 -10.830 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.863 5.385 -9.660 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.492 3.308 -6.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.490 6.132 -7.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.238 4.424 -4.206 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.724 5.818 -4.708 1.00 0.00 H new ATOM 443 N THR A 28 -3.763 0.335 -9.394 1.00 0.00 N ATOM 444 CA THR A 28 -4.988 -0.370 -9.038 1.00 0.00 C ATOM 445 C THR A 28 -4.773 -1.886 -8.990 1.00 0.00 C ATOM 446 O THR A 28 -5.173 -2.551 -8.033 1.00 0.00 O ATOM 447 CB THR A 28 -6.110 -0.051 -10.045 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.186 1.366 -10.251 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.454 -0.563 -9.547 1.00 0.00 C ATOM 0 H THR A 28 -3.777 0.760 -10.321 1.00 0.00 H new ATOM 0 HA THR A 28 -5.278 -0.027 -8.045 1.00 0.00 H new ATOM 0 HB THR A 28 -5.876 -0.551 -10.985 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.481 1.645 -10.871 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.227 -0.324 -10.277 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.404 -1.643 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.694 -0.089 -8.596 1.00 0.00 H new ATOM 457 N ASN A 29 -4.117 -2.408 -10.019 1.00 0.00 N ATOM 458 CA ASN A 29 -3.972 -3.847 -10.222 1.00 0.00 C ATOM 459 C ASN A 29 -3.276 -4.524 -9.044 1.00 0.00 C ATOM 460 O ASN A 29 -3.776 -5.514 -8.510 1.00 0.00 O ATOM 461 CB ASN A 29 -3.184 -4.090 -11.517 1.00 0.00 C ATOM 462 CG ASN A 29 -3.261 -5.518 -12.033 1.00 0.00 C ATOM 463 OD1 ASN A 29 -3.384 -6.477 -11.269 1.00 0.00 O ATOM 464 ND2 ASN A 29 -3.188 -5.666 -13.348 1.00 0.00 N ATOM 0 H ASN A 29 -3.668 -1.844 -10.740 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.967 -4.286 -10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.557 -3.416 -12.288 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.139 -3.833 -11.347 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.233 -6.598 -13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.086 -4.848 -13.948 1.00 0.00 H new ATOM 471 N THR A 30 -2.144 -3.983 -8.622 1.00 0.00 N ATOM 472 CA THR A 30 -1.361 -4.603 -7.564 1.00 0.00 C ATOM 473 C THR A 30 -2.115 -4.586 -6.231 1.00 0.00 C ATOM 474 O THR A 30 -2.202 -5.608 -5.546 1.00 0.00 O ATOM 475 CB THR A 30 -0.007 -3.895 -7.399 1.00 0.00 C ATOM 476 OG1 THR A 30 0.617 -3.718 -8.680 1.00 0.00 O ATOM 477 CG2 THR A 30 0.918 -4.690 -6.492 1.00 0.00 C ATOM 0 H THR A 30 -1.748 -3.120 -8.994 1.00 0.00 H new ATOM 0 HA THR A 30 -1.188 -5.640 -7.853 1.00 0.00 H new ATOM 0 HB THR A 30 -0.190 -2.922 -6.943 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.192 -2.971 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.869 -4.166 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.459 -4.798 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.090 -5.676 -6.923 1.00 0.00 H new ATOM 485 N ILE A 31 -2.684 -3.433 -5.883 1.00 0.00 N ATOM 486 CA ILE A 31 -3.399 -3.290 -4.619 1.00 0.00 C ATOM 487 C ILE A 31 -4.629 -4.187 -4.588 1.00 0.00 C ATOM 488 O ILE A 31 -4.877 -4.885 -3.602 1.00 0.00 O ATOM 489 CB ILE A 31 -3.826 -1.824 -4.369 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.597 -0.914 -4.298 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.647 -1.714 -3.090 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.936 0.554 -4.131 1.00 0.00 C ATOM 0 H ILE A 31 -2.663 -2.589 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.712 -3.591 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.448 -1.500 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.969 -1.230 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.009 -1.041 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.937 -0.675 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.541 -2.331 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.051 -2.056 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.016 1.137 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.538 0.887 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.498 0.695 -3.208 1.00 0.00 H new ATOM 504 N LYS A 32 -5.376 -4.183 -5.683 1.00 0.00 N ATOM 505 CA LYS A 32 -6.584 -4.983 -5.791 1.00 0.00 C ATOM 506 C LYS A 32 -6.263 -6.461 -5.595 1.00 0.00 C ATOM 507 O LYS A 32 -7.025 -7.199 -4.970 1.00 0.00 O ATOM 508 CB LYS A 32 -7.220 -4.782 -7.171 1.00 0.00 C ATOM 509 CG LYS A 32 -8.620 -5.361 -7.301 1.00 0.00 C ATOM 510 CD LYS A 32 -8.736 -6.289 -8.502 1.00 0.00 C ATOM 511 CE LYS A 32 -7.948 -7.572 -8.287 1.00 0.00 C ATOM 512 NZ LYS A 32 -7.974 -8.453 -9.479 1.00 0.00 N ATOM 0 H LYS A 32 -5.163 -3.630 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.281 -4.664 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.258 -3.715 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.578 -5.239 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.873 -5.908 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.342 -4.550 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.784 -6.529 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.370 -5.780 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.915 -7.325 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.358 -8.109 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.424 -9.314 -9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.957 -8.712 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.559 -7.952 -10.290 1.00 0.00 H new ATOM 526 N THR A 33 -5.126 -6.879 -6.128 1.00 0.00 N ATOM 527 CA THR A 33 -4.770 -8.288 -6.155 1.00 0.00 C ATOM 528 C THR A 33 -4.152 -8.749 -4.832 1.00 0.00 C ATOM 529 O THR A 33 -4.607 -9.724 -4.231 1.00 0.00 O ATOM 530 CB THR A 33 -3.786 -8.572 -7.311 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.350 -8.113 -8.548 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.471 -10.058 -7.416 1.00 0.00 C ATOM 0 H THR A 33 -4.432 -6.261 -6.549 1.00 0.00 H new ATOM 0 HA THR A 33 -5.692 -8.849 -6.310 1.00 0.00 H new ATOM 0 HB THR A 33 -2.857 -8.039 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.168 -7.156 -8.655 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.776 -10.225 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.020 -10.401 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.391 -10.613 -7.600 1.00 0.00 H new ATOM 540 N TYR A 34 -3.118 -8.053 -4.384 1.00 0.00 N ATOM 541 CA TYR A 34 -2.387 -8.462 -3.192 1.00 0.00 C ATOM 542 C TYR A 34 -3.081 -8.033 -1.901 1.00 0.00 C ATOM 543 O TYR A 34 -3.277 -8.846 -1.001 1.00 0.00 O ATOM 544 CB TYR A 34 -0.952 -7.940 -3.247 1.00 0.00 C ATOM 545 CG TYR A 34 -0.126 -8.612 -4.324 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.386 -9.887 -4.128 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.128 -7.981 -5.535 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.128 -10.516 -5.108 1.00 0.00 C ATOM 549 CE2 TYR A 34 0.866 -8.605 -6.523 1.00 0.00 C ATOM 550 CZ TYR A 34 1.365 -9.871 -6.302 1.00 0.00 C ATOM 551 OH TYR A 34 2.097 -10.501 -7.287 1.00 0.00 O ATOM 0 H TYR A 34 -2.766 -7.204 -4.826 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.366 -9.552 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.968 -6.865 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.476 -8.096 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.201 -10.396 -3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.257 -6.987 -5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.520 -11.508 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.051 -8.104 -7.462 1.00 0.00 H new ATOM 0 HH TYR A 34 1.967 -11.470 -7.222 1.00 0.00 H new ATOM 561 N CYS A 35 -3.468 -6.767 -1.819 1.00 0.00 N ATOM 562 CA CYS A 35 -4.040 -6.225 -0.588 1.00 0.00 C ATOM 563 C CYS A 35 -5.523 -6.564 -0.463 1.00 0.00 C ATOM 564 O CYS A 35 -6.048 -6.672 0.648 1.00 0.00 O ATOM 565 CB CYS A 35 -3.846 -4.709 -0.546 1.00 0.00 C ATOM 566 SG CYS A 35 -2.121 -4.191 -0.685 1.00 0.00 S ATOM 0 H CYS A 35 -3.398 -6.097 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.520 -6.683 0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.418 -4.256 -1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.257 -4.325 0.388 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.053 -2.893 -0.642 1.00 0.00 H new ATOM 572 N GLY A 36 -6.173 -6.744 -1.607 1.00 0.00 N ATOM 573 CA GLY A 36 -7.605 -7.008 -1.657 1.00 0.00 C ATOM 574 C GLY A 36 -8.086 -8.071 -0.672 1.00 0.00 C ATOM 575 O GLY A 36 -8.859 -7.764 0.233 1.00 0.00 O ATOM 0 H GLY A 36 -5.724 -6.711 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.140 -6.079 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.869 -7.320 -2.667 1.00 0.00 H new ATOM 579 N PRO A 37 -7.641 -9.334 -0.818 1.00 0.00 N ATOM 580 CA PRO A 37 -8.127 -10.455 0.008 1.00 0.00 C ATOM 581 C PRO A 37 -7.817 -10.320 1.502 1.00 0.00 C ATOM 582 O PRO A 37 -8.319 -11.101 2.314 1.00 0.00 O ATOM 583 CB PRO A 37 -7.391 -11.669 -0.568 1.00 0.00 C ATOM 584 CG PRO A 37 -6.198 -11.105 -1.251 1.00 0.00 C ATOM 585 CD PRO A 37 -6.635 -9.779 -1.798 1.00 0.00 C ATOM 0 HA PRO A 37 -9.215 -10.515 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.103 -12.366 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.022 -12.219 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.367 -10.987 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.855 -11.764 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.804 -9.078 -1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.059 -9.874 -2.798 1.00 0.00 H new ATOM 593 N VAL A 38 -7.000 -9.343 1.870 1.00 0.00 N ATOM 594 CA VAL A 38 -6.609 -9.179 3.262 1.00 0.00 C ATOM 595 C VAL A 38 -7.124 -7.859 3.836 1.00 0.00 C ATOM 596 O VAL A 38 -8.136 -7.834 4.531 1.00 0.00 O ATOM 597 CB VAL A 38 -5.078 -9.250 3.444 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.709 -9.202 4.924 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.515 -10.508 2.793 1.00 0.00 C ATOM 0 H VAL A 38 -6.598 -8.658 1.230 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.063 -10.007 3.806 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.637 -8.383 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.625 -9.253 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.073 -8.272 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.165 -10.047 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.434 -10.538 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.965 -11.388 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.742 -10.499 1.727 1.00 0.00 H new ATOM 609 N ILE A 39 -6.443 -6.763 3.518 1.00 0.00 N ATOM 610 CA ILE A 39 -6.757 -5.469 4.119 1.00 0.00 C ATOM 611 C ILE A 39 -7.725 -4.673 3.257 1.00 0.00 C ATOM 612 O ILE A 39 -8.190 -3.611 3.663 1.00 0.00 O ATOM 613 CB ILE A 39 -5.485 -4.627 4.364 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.709 -4.425 3.058 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.602 -5.291 5.410 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.472 -3.561 3.206 1.00 0.00 C ATOM 0 H ILE A 39 -5.672 -6.743 2.850 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.228 -5.683 5.079 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.788 -3.649 4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.415 -5.399 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.371 -3.972 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.710 -4.685 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.153 -5.382 6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.310 -6.282 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.977 -3.465 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.759 -2.573 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.789 -4.023 3.919 1.00 0.00 H new ATOM 628 N GLY A 40 -8.029 -5.205 2.081 1.00 0.00 N ATOM 629 CA GLY A 40 -8.918 -4.535 1.149 1.00 0.00 C ATOM 630 C GLY A 40 -10.234 -4.091 1.773 1.00 0.00 C ATOM 631 O GLY A 40 -10.522 -2.891 1.812 1.00 0.00 O ATOM 0 H GLY A 40 -7.671 -6.101 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.409 -3.664 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.129 -5.205 0.315 1.00 0.00 H new ATOM 635 N PRO A 41 -11.072 -5.030 2.244 1.00 0.00 N ATOM 636 CA PRO A 41 -12.377 -4.714 2.823 1.00 0.00 C ATOM 637 C PRO A 41 -12.290 -4.258 4.278 1.00 0.00 C ATOM 638 O PRO A 41 -13.312 -4.064 4.939 1.00 0.00 O ATOM 639 CB PRO A 41 -13.153 -6.038 2.725 1.00 0.00 C ATOM 640 CG PRO A 41 -12.231 -7.017 2.064 1.00 0.00 C ATOM 641 CD PRO A 41 -10.843 -6.476 2.236 1.00 0.00 C ATOM 0 HA PRO A 41 -12.851 -3.885 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.449 -6.389 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.067 -5.911 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.322 -8.004 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.476 -7.129 1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.384 -6.820 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.184 -6.779 1.422 1.00 0.00 H new ATOM 649 N LEU A 42 -11.074 -4.097 4.780 1.00 0.00 N ATOM 650 CA LEU A 42 -10.874 -3.648 6.150 1.00 0.00 C ATOM 651 C LEU A 42 -10.857 -2.126 6.212 1.00 0.00 C ATOM 652 O LEU A 42 -10.590 -1.462 5.211 1.00 0.00 O ATOM 653 CB LEU A 42 -9.565 -4.203 6.724 1.00 0.00 C ATOM 654 CG LEU A 42 -9.484 -5.728 6.829 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.160 -6.153 7.451 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.655 -6.279 7.634 1.00 0.00 C ATOM 0 H LEU A 42 -10.213 -4.270 4.261 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.703 -4.023 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.740 -3.855 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.416 -3.780 7.717 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.540 -6.141 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.121 -7.240 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.336 -5.798 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.073 -5.725 8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.576 -7.364 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.637 -5.857 8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.591 -6.010 7.145 1.00 0.00 H new ATOM 668 N SER A 43 -11.159 -1.585 7.382 1.00 0.00 N ATOM 669 CA SER A 43 -11.145 -0.165 7.608 1.00 0.00 C ATOM 670 C SER A 43 -9.743 0.404 7.378 1.00 0.00 C ATOM 671 O SER A 43 -8.748 -0.170 7.829 1.00 0.00 O ATOM 672 CB SER A 43 -11.602 0.073 9.037 1.00 0.00 C ATOM 673 OG SER A 43 -12.757 -0.699 9.327 1.00 0.00 O ATOM 0 H SER A 43 -11.422 -2.131 8.202 1.00 0.00 H new ATOM 0 HA SER A 43 -11.812 0.341 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.801 -0.187 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.819 1.131 9.184 1.00 0.00 H new ATOM 0 HG SER A 43 -13.037 -0.535 10.252 1.00 0.00 H new ATOM 679 N VAL A 44 -9.675 1.537 6.682 1.00 0.00 N ATOM 680 CA VAL A 44 -8.397 2.141 6.305 1.00 0.00 C ATOM 681 C VAL A 44 -7.583 2.565 7.538 1.00 0.00 C ATOM 682 O VAL A 44 -6.352 2.642 7.490 1.00 0.00 O ATOM 683 CB VAL A 44 -8.613 3.356 5.363 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.396 4.459 6.057 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.280 3.887 4.847 1.00 0.00 C ATOM 0 H VAL A 44 -10.493 2.058 6.366 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.828 1.380 5.771 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.199 3.014 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.531 5.296 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.371 4.078 6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.848 4.796 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.457 4.738 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.663 4.202 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.765 3.102 4.294 1.00 0.00 H new ATOM 695 N GLN A 45 -8.268 2.821 8.645 1.00 0.00 N ATOM 696 CA GLN A 45 -7.599 3.226 9.871 1.00 0.00 C ATOM 697 C GLN A 45 -7.029 2.002 10.585 1.00 0.00 C ATOM 698 O GLN A 45 -5.946 2.059 11.169 1.00 0.00 O ATOM 699 CB GLN A 45 -8.584 3.983 10.770 1.00 0.00 C ATOM 700 CG GLN A 45 -7.930 4.780 11.892 1.00 0.00 C ATOM 701 CD GLN A 45 -7.858 4.033 13.211 1.00 0.00 C ATOM 702 OE1 GLN A 45 -8.778 4.102 14.025 1.00 0.00 O ATOM 703 NE2 GLN A 45 -6.764 3.327 13.442 1.00 0.00 N ATOM 0 H GLN A 45 -9.283 2.755 8.718 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.770 3.892 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.171 4.663 10.153 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.281 3.268 11.208 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.921 5.059 11.587 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.486 5.706 12.039 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.022 3.293 12.743 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.662 2.816 14.319 1.00 0.00 H new ATOM 712 N ASP A 46 -7.744 0.888 10.477 1.00 0.00 N ATOM 713 CA ASP A 46 -7.387 -0.345 11.173 1.00 0.00 C ATOM 714 C ASP A 46 -6.146 -0.994 10.581 1.00 0.00 C ATOM 715 O ASP A 46 -5.527 -1.844 11.221 1.00 0.00 O ATOM 716 CB ASP A 46 -8.548 -1.341 11.125 1.00 0.00 C ATOM 717 CG ASP A 46 -9.660 -0.998 12.094 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.284 0.068 11.940 1.00 0.00 O ATOM 719 OD2 ASP A 46 -9.931 -1.808 13.006 1.00 0.00 O ATOM 0 H ASP A 46 -8.586 0.813 9.906 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.172 -0.076 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.952 -1.372 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.173 -2.340 11.349 1.00 0.00 H new ATOM 724 N VAL A 47 -5.801 -0.612 9.355 1.00 0.00 N ATOM 725 CA VAL A 47 -4.619 -1.150 8.690 1.00 0.00 C ATOM 726 C VAL A 47 -3.350 -0.794 9.463 1.00 0.00 C ATOM 727 O VAL A 47 -2.929 0.367 9.487 1.00 0.00 O ATOM 728 CB VAL A 47 -4.497 -0.631 7.241 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.278 -1.222 6.548 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.758 -0.944 6.455 1.00 0.00 C ATOM 0 H VAL A 47 -6.323 0.068 8.802 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.734 -2.234 8.663 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.371 0.451 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.217 -0.839 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.377 -0.943 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.365 -2.308 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.654 -0.571 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.914 -2.023 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.612 -0.464 6.932 1.00 0.00 H new ATOM 740 N ASP A 48 -2.753 -1.797 10.101 1.00 0.00 N ATOM 741 CA ASP A 48 -1.534 -1.596 10.877 1.00 0.00 C ATOM 742 C ASP A 48 -0.417 -2.503 10.366 1.00 0.00 C ATOM 743 O ASP A 48 -0.576 -3.191 9.357 1.00 0.00 O ATOM 744 CB ASP A 48 -1.782 -1.873 12.366 1.00 0.00 C ATOM 745 CG ASP A 48 -1.862 -3.355 12.690 1.00 0.00 C ATOM 746 OD1 ASP A 48 -2.905 -3.981 12.408 1.00 0.00 O ATOM 747 OD2 ASP A 48 -0.878 -3.898 13.235 1.00 0.00 O ATOM 0 H ASP A 48 -3.095 -2.758 10.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.231 -0.556 10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.981 -1.422 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.711 -1.390 12.670 1.00 0.00 H new ATOM 752 N THR A 49 0.700 -2.509 11.081 1.00 0.00 N ATOM 753 CA THR A 49 1.878 -3.271 10.684 1.00 0.00 C ATOM 754 C THR A 49 1.573 -4.763 10.564 1.00 0.00 C ATOM 755 O THR A 49 2.006 -5.417 9.615 1.00 0.00 O ATOM 756 CB THR A 49 3.013 -3.081 11.702 1.00 0.00 C ATOM 757 OG1 THR A 49 3.131 -1.697 12.045 1.00 0.00 O ATOM 758 CG2 THR A 49 4.335 -3.578 11.139 1.00 0.00 C ATOM 0 H THR A 49 0.816 -1.988 11.950 1.00 0.00 H new ATOM 0 HA THR A 49 2.184 -2.894 9.708 1.00 0.00 H new ATOM 0 HB THR A 49 2.773 -3.661 12.593 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.855 -1.582 12.696 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.123 -3.433 11.878 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.253 -4.638 10.900 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.578 -3.020 10.235 1.00 0.00 H new ATOM 766 N LYS A 50 0.811 -5.285 11.519 1.00 0.00 N ATOM 767 CA LYS A 50 0.501 -6.708 11.576 1.00 0.00 C ATOM 768 C LYS A 50 -0.252 -7.143 10.326 1.00 0.00 C ATOM 769 O LYS A 50 0.063 -8.167 9.716 1.00 0.00 O ATOM 770 CB LYS A 50 -0.332 -6.977 12.833 1.00 0.00 C ATOM 771 CG LYS A 50 -0.614 -8.443 13.129 1.00 0.00 C ATOM 772 CD LYS A 50 -1.853 -8.943 12.402 1.00 0.00 C ATOM 773 CE LYS A 50 -2.267 -10.322 12.884 1.00 0.00 C ATOM 774 NZ LYS A 50 -2.627 -10.322 14.329 1.00 0.00 N ATOM 0 H LYS A 50 0.393 -4.737 12.271 1.00 0.00 H new ATOM 0 HA LYS A 50 1.425 -7.284 11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.184 -6.544 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.283 -6.454 12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.246 -9.044 12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.745 -8.577 14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.673 -8.242 12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.658 -8.975 11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.118 -10.671 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.452 -11.026 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.211 -11.156 14.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.760 -10.351 14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.162 -9.459 14.553 1.00 0.00 H new ATOM 788 N LEU A 51 -1.237 -6.348 9.945 1.00 0.00 N ATOM 789 CA LEU A 51 -2.046 -6.635 8.775 1.00 0.00 C ATOM 790 C LEU A 51 -1.212 -6.557 7.498 1.00 0.00 C ATOM 791 O LEU A 51 -1.367 -7.379 6.593 1.00 0.00 O ATOM 792 CB LEU A 51 -3.221 -5.661 8.705 1.00 0.00 C ATOM 793 CG LEU A 51 -4.211 -5.749 9.865 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.343 -4.754 9.676 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.761 -7.160 9.994 1.00 0.00 C ATOM 0 H LEU A 51 -1.497 -5.492 10.434 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.430 -7.652 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.828 -4.645 8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.761 -5.835 7.774 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.682 -5.501 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.038 -4.831 10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.936 -3.744 9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.868 -4.972 8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.464 -7.202 10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.273 -7.437 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.941 -7.855 10.177 1.00 0.00 H new ATOM 807 N ILE A 52 -0.321 -5.575 7.438 1.00 0.00 N ATOM 808 CA ILE A 52 0.531 -5.384 6.271 1.00 0.00 C ATOM 809 C ILE A 52 1.561 -6.510 6.150 1.00 0.00 C ATOM 810 O ILE A 52 1.817 -7.014 5.054 1.00 0.00 O ATOM 811 CB ILE A 52 1.246 -4.013 6.319 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.213 -2.883 6.333 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.190 -3.854 5.135 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.817 -1.500 6.465 1.00 0.00 C ATOM 0 H ILE A 52 -0.170 -4.897 8.185 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.112 -5.407 5.391 1.00 0.00 H new ATOM 0 HB ILE A 52 1.837 -3.963 7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.372 -2.927 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.479 -3.047 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.682 -2.883 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.942 -4.643 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.624 -3.922 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.022 -0.754 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.378 -1.435 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.487 -1.314 5.625 1.00 0.00 H new ATOM 826 N MET A 53 2.136 -6.915 7.281 1.00 0.00 N ATOM 827 CA MET A 53 3.138 -7.981 7.296 1.00 0.00 C ATOM 828 C MET A 53 2.576 -9.281 6.740 1.00 0.00 C ATOM 829 O MET A 53 3.254 -9.980 5.989 1.00 0.00 O ATOM 830 CB MET A 53 3.675 -8.225 8.708 1.00 0.00 C ATOM 831 CG MET A 53 4.703 -7.203 9.160 1.00 0.00 C ATOM 832 SD MET A 53 5.395 -7.595 10.778 1.00 0.00 S ATOM 833 CE MET A 53 6.673 -6.349 10.921 1.00 0.00 C ATOM 0 H MET A 53 1.926 -6.522 8.198 1.00 0.00 H new ATOM 0 HA MET A 53 3.957 -7.649 6.659 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.841 -8.221 9.409 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.122 -9.218 8.750 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.508 -7.152 8.426 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.240 -6.217 9.195 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.529 -6.765 11.453 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.984 -6.031 9.926 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.285 -5.492 11.471 1.00 0.00 H new ATOM 843 N LYS A 54 1.337 -9.599 7.105 1.00 0.00 N ATOM 844 CA LYS A 54 0.689 -10.816 6.629 1.00 0.00 C ATOM 845 C LYS A 54 0.653 -10.867 5.103 1.00 0.00 C ATOM 846 O LYS A 54 0.824 -11.928 4.505 1.00 0.00 O ATOM 847 CB LYS A 54 -0.732 -10.936 7.184 1.00 0.00 C ATOM 848 CG LYS A 54 -0.786 -11.248 8.672 1.00 0.00 C ATOM 849 CD LYS A 54 -2.165 -11.732 9.090 1.00 0.00 C ATOM 850 CE LYS A 54 -2.571 -12.962 8.295 1.00 0.00 C ATOM 851 NZ LYS A 54 -3.890 -13.497 8.712 1.00 0.00 N ATOM 0 H LYS A 54 0.763 -9.031 7.728 1.00 0.00 H new ATOM 0 HA LYS A 54 1.280 -11.657 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.264 -10.003 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.260 -11.718 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.044 -12.009 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.524 -10.356 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.166 -11.965 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.896 -10.938 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.603 -12.711 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.813 -13.736 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.121 -14.335 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.855 -13.762 9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.620 -12.770 8.571 1.00 0.00 H new ATOM 865 N VAL A 55 0.432 -9.714 4.483 1.00 0.00 N ATOM 866 CA VAL A 55 0.361 -9.626 3.033 1.00 0.00 C ATOM 867 C VAL A 55 1.747 -9.774 2.407 1.00 0.00 C ATOM 868 O VAL A 55 1.944 -10.576 1.498 1.00 0.00 O ATOM 869 CB VAL A 55 -0.251 -8.282 2.584 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.415 -8.240 1.070 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.583 -8.039 3.275 1.00 0.00 C ATOM 0 H VAL A 55 0.299 -8.825 4.965 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.278 -10.441 2.694 1.00 0.00 H new ATOM 0 HB VAL A 55 0.434 -7.485 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.848 -7.283 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.559 -8.358 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.074 -9.049 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.996 -7.086 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.275 -8.842 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.434 -8.014 4.354 1.00 0.00 H new ATOM 881 N LEU A 56 2.704 -9.015 2.928 1.00 0.00 N ATOM 882 CA LEU A 56 4.036 -8.922 2.328 1.00 0.00 C ATOM 883 C LEU A 56 4.874 -10.174 2.566 1.00 0.00 C ATOM 884 O LEU A 56 5.666 -10.562 1.708 1.00 0.00 O ATOM 885 CB LEU A 56 4.780 -7.707 2.882 1.00 0.00 C ATOM 886 CG LEU A 56 4.156 -6.356 2.547 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.938 -5.240 3.211 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.102 -6.143 1.042 1.00 0.00 C ATOM 0 H LEU A 56 2.584 -8.451 3.769 1.00 0.00 H new ATOM 0 HA LEU A 56 3.890 -8.818 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.842 -7.802 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.801 -7.722 2.502 1.00 0.00 H new ATOM 0 HG LEU A 56 3.135 -6.345 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.483 -4.281 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.926 -5.380 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.968 -5.255 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.653 -5.173 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.112 -6.174 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.502 -6.930 0.585 1.00 0.00 H new ATOM 900 N ASP A 57 4.680 -10.797 3.724 1.00 0.00 N ATOM 901 CA ASP A 57 5.523 -11.912 4.179 1.00 0.00 C ATOM 902 C ASP A 57 5.731 -12.986 3.100 1.00 0.00 C ATOM 903 O ASP A 57 6.871 -13.297 2.755 1.00 0.00 O ATOM 904 CB ASP A 57 4.928 -12.550 5.439 1.00 0.00 C ATOM 905 CG ASP A 57 5.947 -13.344 6.231 1.00 0.00 C ATOM 906 OD1 ASP A 57 6.886 -12.734 6.786 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.801 -14.579 6.328 1.00 0.00 O ATOM 0 H ASP A 57 3.937 -10.548 4.377 1.00 0.00 H new ATOM 0 HA ASP A 57 6.502 -11.489 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.510 -11.769 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.104 -13.205 5.155 1.00 0.00 H new ATOM 912 N PRO A 58 4.650 -13.571 2.542 1.00 0.00 N ATOM 913 CA PRO A 58 4.776 -14.633 1.537 1.00 0.00 C ATOM 914 C PRO A 58 5.245 -14.117 0.176 1.00 0.00 C ATOM 915 O PRO A 58 5.695 -14.893 -0.666 1.00 0.00 O ATOM 916 CB PRO A 58 3.356 -15.193 1.431 1.00 0.00 C ATOM 917 CG PRO A 58 2.471 -14.064 1.826 1.00 0.00 C ATOM 918 CD PRO A 58 3.235 -13.270 2.847 1.00 0.00 C ATOM 0 HA PRO A 58 5.525 -15.369 1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.138 -15.530 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.219 -16.051 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.218 -13.448 0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.533 -14.432 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.026 -12.204 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.973 -13.567 3.862 1.00 0.00 H new ATOM 926 N ILE A 59 5.159 -12.808 -0.035 1.00 0.00 N ATOM 927 CA ILE A 59 5.504 -12.226 -1.328 1.00 0.00 C ATOM 928 C ILE A 59 7.016 -12.116 -1.486 1.00 0.00 C ATOM 929 O ILE A 59 7.533 -12.200 -2.598 1.00 0.00 O ATOM 930 CB ILE A 59 4.865 -10.828 -1.525 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.354 -10.888 -1.283 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.146 -10.303 -2.927 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.664 -9.545 -1.415 1.00 0.00 C ATOM 0 H ILE A 59 4.856 -12.133 0.667 1.00 0.00 H new ATOM 0 HA ILE A 59 5.105 -12.895 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 59 5.310 -10.147 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.909 -11.587 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.170 -11.285 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.689 -9.320 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.223 -10.223 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.727 -10.989 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.596 -9.665 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.082 -8.848 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.817 -9.155 -2.421 1.00 0.00 H new ATOM 945 N TRP A 60 7.727 -11.957 -0.371 1.00 0.00 N ATOM 946 CA TRP A 60 9.183 -11.808 -0.402 1.00 0.00 C ATOM 947 C TRP A 60 9.859 -12.998 -1.086 1.00 0.00 C ATOM 948 O TRP A 60 10.897 -12.849 -1.732 1.00 0.00 O ATOM 949 CB TRP A 60 9.748 -11.656 1.013 1.00 0.00 C ATOM 950 CG TRP A 60 9.307 -10.409 1.721 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.589 -10.339 2.879 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.563 -9.053 1.326 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.380 -9.027 3.228 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.965 -8.217 2.290 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.236 -8.464 0.253 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.022 -6.827 2.212 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.292 -7.084 0.176 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.687 -6.279 1.150 1.00 0.00 C ATOM 0 H TRP A 60 7.320 -11.928 0.564 1.00 0.00 H new ATOM 0 HA TRP A 60 9.395 -10.907 -0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.451 -12.521 1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.837 -11.665 0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.236 -11.192 3.440 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.871 -8.707 4.052 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.705 -9.076 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.558 -6.205 2.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.811 -6.619 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.747 -5.204 1.060 1.00 0.00 H new ATOM 969 N GLU A 61 9.269 -14.175 -0.935 1.00 0.00 N ATOM 970 CA GLU A 61 9.818 -15.385 -1.505 1.00 0.00 C ATOM 971 C GLU A 61 9.530 -15.484 -3.000 1.00 0.00 C ATOM 972 O GLU A 61 10.337 -16.018 -3.763 1.00 0.00 O ATOM 973 CB GLU A 61 9.226 -16.585 -0.778 1.00 0.00 C ATOM 974 CG GLU A 61 9.835 -16.829 0.591 1.00 0.00 C ATOM 975 CD GLU A 61 11.331 -17.049 0.524 1.00 0.00 C ATOM 976 OE1 GLU A 61 11.768 -17.992 -0.172 1.00 0.00 O ATOM 977 OE2 GLU A 61 12.079 -16.281 1.165 1.00 0.00 O ATOM 0 H GLU A 61 8.402 -14.312 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 61 10.901 -15.367 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.152 -16.438 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.364 -17.475 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.624 -15.977 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.362 -17.699 1.047 1.00 0.00 H new ATOM 984 N GLN A 62 8.387 -14.956 -3.409 1.00 0.00 N ATOM 985 CA GLN A 62 7.944 -15.066 -4.791 1.00 0.00 C ATOM 986 C GLN A 62 8.420 -13.886 -5.628 1.00 0.00 C ATOM 987 O GLN A 62 9.102 -14.062 -6.638 1.00 0.00 O ATOM 988 CB GLN A 62 6.419 -15.160 -4.833 1.00 0.00 C ATOM 989 CG GLN A 62 5.882 -16.480 -4.306 1.00 0.00 C ATOM 990 CD GLN A 62 4.378 -16.473 -4.112 1.00 0.00 C ATOM 991 OE1 GLN A 62 3.646 -15.753 -4.794 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.902 -17.294 -3.189 1.00 0.00 N ATOM 0 H GLN A 62 7.747 -14.445 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 62 8.380 -15.969 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.996 -14.344 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.082 -15.023 -5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.150 -17.277 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.364 -16.709 -3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.540 -17.874 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.897 -17.346 -3.022 1.00 0.00 H new ATOM 1001 N LYS A 63 8.065 -12.683 -5.195 1.00 0.00 N ATOM 1002 CA LYS A 63 8.371 -11.468 -5.941 1.00 0.00 C ATOM 1003 C LYS A 63 8.761 -10.343 -4.983 1.00 0.00 C ATOM 1004 O LYS A 63 7.940 -9.487 -4.650 1.00 0.00 O ATOM 1005 CB LYS A 63 7.158 -11.052 -6.783 1.00 0.00 C ATOM 1006 CG LYS A 63 6.744 -12.090 -7.817 1.00 0.00 C ATOM 1007 CD LYS A 63 5.320 -11.871 -8.301 1.00 0.00 C ATOM 1008 CE LYS A 63 5.161 -10.550 -9.032 1.00 0.00 C ATOM 1009 NZ LYS A 63 3.768 -10.349 -9.505 1.00 0.00 N ATOM 0 H LYS A 63 7.560 -12.522 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 63 9.212 -11.664 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.316 -10.858 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.385 -10.115 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.426 -12.049 -8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.832 -13.087 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.033 -12.688 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.640 -11.897 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.442 -9.731 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.842 -10.520 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.732 -9.527 -10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.450 -11.196 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.145 -10.183 -8.689 1.00 0.00 H new ATOM 1023 N PRO A 64 10.022 -10.342 -4.513 1.00 0.00 N ATOM 1024 CA PRO A 64 10.496 -9.389 -3.499 1.00 0.00 C ATOM 1025 C PRO A 64 10.370 -7.934 -3.942 1.00 0.00 C ATOM 1026 O PRO A 64 9.930 -7.075 -3.172 1.00 0.00 O ATOM 1027 CB PRO A 64 11.969 -9.763 -3.300 1.00 0.00 C ATOM 1028 CG PRO A 64 12.339 -10.565 -4.502 1.00 0.00 C ATOM 1029 CD PRO A 64 11.085 -11.271 -4.932 1.00 0.00 C ATOM 0 HA PRO A 64 9.900 -9.454 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.592 -8.873 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.108 -10.339 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.718 -9.923 -5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.128 -11.280 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.068 -11.445 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.984 -12.244 -4.450 1.00 0.00 H new ATOM 1037 N GLU A 65 10.751 -7.661 -5.184 1.00 0.00 N ATOM 1038 CA GLU A 65 10.678 -6.326 -5.735 1.00 0.00 C ATOM 1039 C GLU A 65 9.233 -5.841 -5.781 1.00 0.00 C ATOM 1040 O GLU A 65 8.939 -4.687 -5.474 1.00 0.00 O ATOM 1041 CB GLU A 65 11.293 -6.327 -7.130 1.00 0.00 C ATOM 1042 CG GLU A 65 10.692 -7.359 -8.070 1.00 0.00 C ATOM 1043 CD GLU A 65 11.280 -7.286 -9.459 1.00 0.00 C ATOM 1044 OE1 GLU A 65 12.326 -7.923 -9.699 1.00 0.00 O ATOM 1045 OE2 GLU A 65 10.705 -6.585 -10.316 1.00 0.00 O ATOM 0 H GLU A 65 11.117 -8.360 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 65 11.236 -5.641 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.173 -5.337 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.364 -6.510 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.855 -8.356 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.614 -7.210 -8.127 1.00 0.00 H new ATOM 1052 N THR A 66 8.334 -6.744 -6.142 1.00 0.00 N ATOM 1053 CA THR A 66 6.919 -6.427 -6.219 1.00 0.00 C ATOM 1054 C THR A 66 6.366 -6.116 -4.831 1.00 0.00 C ATOM 1055 O THR A 66 5.523 -5.235 -4.669 1.00 0.00 O ATOM 1056 CB THR A 66 6.134 -7.594 -6.843 1.00 0.00 C ATOM 1057 OG1 THR A 66 6.755 -7.987 -8.076 1.00 0.00 O ATOM 1058 CG2 THR A 66 4.684 -7.208 -7.100 1.00 0.00 C ATOM 0 H THR A 66 8.563 -7.707 -6.387 1.00 0.00 H new ATOM 0 HA THR A 66 6.803 -5.548 -6.853 1.00 0.00 H new ATOM 0 HB THR A 66 6.145 -8.427 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.178 -7.736 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.155 -8.053 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.208 -6.934 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.649 -6.361 -7.785 1.00 0.00 H new ATOM 1066 N ALA A 67 6.868 -6.830 -3.831 1.00 0.00 N ATOM 1067 CA ALA A 67 6.462 -6.610 -2.452 1.00 0.00 C ATOM 1068 C ALA A 67 6.854 -5.211 -1.986 1.00 0.00 C ATOM 1069 O ALA A 67 6.068 -4.520 -1.336 1.00 0.00 O ATOM 1070 CB ALA A 67 7.071 -7.665 -1.544 1.00 0.00 C ATOM 0 H ALA A 67 7.560 -7.569 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 67 5.376 -6.693 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.757 -7.485 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.736 -8.653 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.158 -7.614 -1.605 1.00 0.00 H new ATOM 1076 N SER A 68 8.062 -4.787 -2.330 1.00 0.00 N ATOM 1077 CA SER A 68 8.524 -3.459 -1.961 1.00 0.00 C ATOM 1078 C SER A 68 7.749 -2.397 -2.739 1.00 0.00 C ATOM 1079 O SER A 68 7.369 -1.364 -2.186 1.00 0.00 O ATOM 1080 CB SER A 68 10.029 -3.318 -2.205 1.00 0.00 C ATOM 1081 OG SER A 68 10.530 -2.131 -1.605 1.00 0.00 O ATOM 0 H SER A 68 8.735 -5.340 -2.861 1.00 0.00 H new ATOM 0 HA SER A 68 8.342 -3.313 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.550 -4.184 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.228 -3.301 -3.277 1.00 0.00 H new ATOM 0 HG SER A 68 11.493 -2.062 -1.772 1.00 0.00 H new ATOM 1087 N ARG A 69 7.491 -2.668 -4.016 1.00 0.00 N ATOM 1088 CA ARG A 69 6.687 -1.780 -4.834 1.00 0.00 C ATOM 1089 C ARG A 69 5.275 -1.668 -4.264 1.00 0.00 C ATOM 1090 O ARG A 69 4.652 -0.609 -4.322 1.00 0.00 O ATOM 1091 CB ARG A 69 6.635 -2.290 -6.272 1.00 0.00 C ATOM 1092 CG ARG A 69 7.938 -2.117 -7.038 1.00 0.00 C ATOM 1093 CD ARG A 69 7.810 -2.595 -8.477 1.00 0.00 C ATOM 1094 NE ARG A 69 9.059 -2.427 -9.223 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.189 -2.658 -10.530 1.00 0.00 C ATOM 1096 NH1 ARG A 69 8.139 -3.029 -11.254 1.00 0.00 N ATOM 1097 NH2 ARG A 69 10.370 -2.503 -11.114 1.00 0.00 N ATOM 0 H ARG A 69 7.830 -3.498 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 69 7.145 -0.791 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.369 -3.347 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.841 -1.766 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.230 -1.067 -7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.731 -2.673 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.521 -3.646 -8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.013 -2.041 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 69 9.883 -2.113 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.227 -3.139 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.245 -3.204 -12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.176 -2.208 -10.564 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.472 -2.679 -12.114 1.00 0.00 H new ATOM 1111 N LEU A 70 4.771 -2.771 -3.717 1.00 0.00 N ATOM 1112 CA LEU A 70 3.462 -2.779 -3.079 1.00 0.00 C ATOM 1113 C LEU A 70 3.457 -1.852 -1.870 1.00 0.00 C ATOM 1114 O LEU A 70 2.484 -1.135 -1.636 1.00 0.00 O ATOM 1115 CB LEU A 70 3.068 -4.199 -2.660 1.00 0.00 C ATOM 1116 CG LEU A 70 1.708 -4.323 -1.966 1.00 0.00 C ATOM 1117 CD1 LEU A 70 0.591 -3.865 -2.891 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.476 -5.756 -1.514 1.00 0.00 C ATOM 0 H LEU A 70 5.251 -3.671 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 70 2.729 -2.420 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.064 -4.834 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.836 -4.589 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 70 1.707 -3.678 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.367 -3.961 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.752 -2.823 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.586 -4.482 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.506 -5.830 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.496 -6.418 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.260 -6.049 -0.816 1.00 0.00 H new ATOM 1130 N ARG A 71 4.559 -1.853 -1.122 1.00 0.00 N ATOM 1131 CA ARG A 71 4.707 -0.967 0.019 1.00 0.00 C ATOM 1132 C ARG A 71 4.591 0.481 -0.424 1.00 0.00 C ATOM 1133 O ARG A 71 3.955 1.284 0.244 1.00 0.00 O ATOM 1134 CB ARG A 71 6.054 -1.170 0.699 1.00 0.00 C ATOM 1135 CG ARG A 71 6.267 -2.550 1.292 1.00 0.00 C ATOM 1136 CD ARG A 71 7.558 -2.594 2.092 1.00 0.00 C ATOM 1137 NE ARG A 71 8.697 -2.107 1.313 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.333 -0.959 1.559 1.00 0.00 C ATOM 1139 NH1 ARG A 71 8.952 -0.178 2.569 1.00 0.00 N ATOM 1140 NH2 ARG A 71 10.341 -0.591 0.782 1.00 0.00 N ATOM 0 H ARG A 71 5.361 -2.461 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 71 3.913 -1.203 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.844 -0.976 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.160 -0.429 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.426 -2.810 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.301 -3.293 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.448 -1.990 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.750 -3.617 2.416 1.00 0.00 H new ATOM 0 HE ARG A 71 9.025 -2.679 0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.169 -0.456 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.443 0.697 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.626 -1.183 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.832 0.285 0.964 1.00 0.00 H new ATOM 1154 N GLY A 72 5.206 0.798 -1.559 1.00 0.00 N ATOM 1155 CA GLY A 72 5.143 2.143 -2.096 1.00 0.00 C ATOM 1156 C GLY A 72 3.721 2.569 -2.397 1.00 0.00 C ATOM 1157 O GLY A 72 3.352 3.727 -2.188 1.00 0.00 O ATOM 0 H GLY A 72 5.750 0.142 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.587 2.839 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.738 2.197 -3.008 1.00 0.00 H new ATOM 1161 N ARG A 73 2.917 1.630 -2.888 1.00 0.00 N ATOM 1162 CA ARG A 73 1.507 1.884 -3.130 1.00 0.00 C ATOM 1163 C ARG A 73 0.785 2.178 -1.816 1.00 0.00 C ATOM 1164 O ARG A 73 0.097 3.188 -1.693 1.00 0.00 O ATOM 1165 CB ARG A 73 0.863 0.679 -3.820 1.00 0.00 C ATOM 1166 CG ARG A 73 0.611 0.869 -5.307 1.00 0.00 C ATOM 1167 CD ARG A 73 1.894 1.011 -6.108 1.00 0.00 C ATOM 1168 NE ARG A 73 2.681 -0.223 -6.117 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.568 -1.177 -7.046 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.673 -1.064 -8.020 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.345 -2.252 -6.990 1.00 0.00 N ATOM 0 H ARG A 73 3.222 0.686 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 73 1.420 2.754 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.505 -0.190 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.084 0.457 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.044 0.019 -5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.005 1.756 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.651 1.292 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.494 1.819 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 73 3.358 -0.364 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.066 -0.245 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.592 -1.796 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.028 -2.349 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.259 -2.981 -7.699 1.00 0.00 H new ATOM 1185 N ILE A 74 0.985 1.310 -0.830 1.00 0.00 N ATOM 1186 CA ILE A 74 0.314 1.440 0.463 1.00 0.00 C ATOM 1187 C ILE A 74 0.789 2.691 1.200 1.00 0.00 C ATOM 1188 O ILE A 74 -0.019 3.442 1.744 1.00 0.00 O ATOM 1189 CB ILE A 74 0.553 0.197 1.350 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.157 -1.077 0.598 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.232 0.305 2.649 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.439 -2.352 1.365 1.00 0.00 C ATOM 0 H ILE A 74 1.608 0.506 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.754 1.526 0.264 1.00 0.00 H new ATOM 0 HB ILE A 74 1.615 0.148 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.906 -1.033 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.692 -1.109 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.050 -0.580 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.087 1.193 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.296 0.379 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.132 -3.211 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.506 -2.420 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.118 -2.344 2.302 1.00 0.00 H new ATOM 1204 N GLU A 75 2.099 2.917 1.188 1.00 0.00 N ATOM 1205 CA GLU A 75 2.707 4.075 1.841 1.00 0.00 C ATOM 1206 C GLU A 75 2.085 5.371 1.339 1.00 0.00 C ATOM 1207 O GLU A 75 1.690 6.229 2.128 1.00 0.00 O ATOM 1208 CB GLU A 75 4.214 4.085 1.568 1.00 0.00 C ATOM 1209 CG GLU A 75 4.971 5.183 2.295 1.00 0.00 C ATOM 1210 CD GLU A 75 6.441 5.214 1.934 1.00 0.00 C ATOM 1211 OE1 GLU A 75 7.236 4.498 2.573 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.815 5.974 1.016 1.00 0.00 O ATOM 0 H GLU A 75 2.770 2.304 0.726 1.00 0.00 H new ATOM 0 HA GLU A 75 2.528 4.001 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.631 3.120 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.377 4.195 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.522 6.147 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.868 5.040 3.371 1.00 0.00 H new ATOM 1219 N SER A 76 1.975 5.492 0.026 1.00 0.00 N ATOM 1220 CA SER A 76 1.425 6.692 -0.586 1.00 0.00 C ATOM 1221 C SER A 76 -0.056 6.861 -0.244 1.00 0.00 C ATOM 1222 O SER A 76 -0.528 7.980 -0.026 1.00 0.00 O ATOM 1223 CB SER A 76 1.625 6.636 -2.093 1.00 0.00 C ATOM 1224 OG SER A 76 2.993 6.423 -2.407 1.00 0.00 O ATOM 0 H SER A 76 2.260 4.772 -0.638 1.00 0.00 H new ATOM 0 HA SER A 76 1.954 7.557 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.020 5.834 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.283 7.567 -2.546 1.00 0.00 H new ATOM 0 HG SER A 76 3.221 5.482 -2.254 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.781 5.748 -0.179 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.200 5.782 0.156 1.00 0.00 C ATOM 1232 C VAL A 77 -2.400 6.144 1.627 1.00 0.00 C ATOM 1233 O VAL A 77 -3.243 6.977 1.958 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.900 4.438 -0.154 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.352 4.461 0.312 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.828 4.136 -1.644 1.00 0.00 C ATOM 0 H VAL A 77 -0.410 4.814 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.657 6.550 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.380 3.650 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.823 3.505 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.386 4.634 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.886 5.261 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.325 3.187 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.323 4.931 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.784 4.073 -1.952 1.00 0.00 H new ATOM 1246 N LEU A 78 -1.608 5.535 2.506 1.00 0.00 N ATOM 1247 CA LEU A 78 -1.706 5.809 3.938 1.00 0.00 C ATOM 1248 C LEU A 78 -1.336 7.259 4.237 1.00 0.00 C ATOM 1249 O LEU A 78 -1.960 7.902 5.081 1.00 0.00 O ATOM 1250 CB LEU A 78 -0.812 4.860 4.744 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.178 3.375 4.649 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -0.287 2.550 5.560 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -2.643 3.155 4.996 1.00 0.00 C ATOM 0 H LEU A 78 -0.894 4.851 2.254 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.741 5.643 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.218 4.985 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.845 5.159 5.792 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.020 3.050 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.560 1.498 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.754 2.678 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.414 2.881 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.879 2.093 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.831 3.498 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.269 3.716 4.302 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.330 7.769 3.535 1.00 0.00 N ATOM 1266 CA ASP A 79 0.061 9.172 3.661 1.00 0.00 C ATOM 1267 C ASP A 79 -1.089 10.081 3.244 1.00 0.00 C ATOM 1268 O ASP A 79 -1.437 11.029 3.949 1.00 0.00 O ATOM 1269 CB ASP A 79 1.295 9.465 2.804 1.00 0.00 C ATOM 1270 CG ASP A 79 1.590 10.950 2.690 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.949 11.573 3.708 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.475 11.496 1.571 1.00 0.00 O ATOM 0 H ASP A 79 0.231 7.233 2.872 1.00 0.00 H new ATOM 0 HA ASP A 79 0.306 9.367 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.159 8.959 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.147 9.051 1.807 1.00 0.00 H new ATOM 1277 N TRP A 80 -1.692 9.763 2.105 1.00 0.00 N ATOM 1278 CA TRP A 80 -2.829 10.518 1.598 1.00 0.00 C ATOM 1279 C TRP A 80 -3.987 10.457 2.592 1.00 0.00 C ATOM 1280 O TRP A 80 -4.581 11.480 2.933 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.258 9.961 0.236 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.393 10.704 -0.401 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.336 11.920 -1.023 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.752 10.265 -0.503 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.579 12.267 -1.492 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.464 11.269 -1.186 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.439 9.123 -0.076 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.822 11.164 -1.457 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.791 9.022 -0.348 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.469 10.038 -1.030 1.00 0.00 C ATOM 0 H TRP A 80 -1.410 8.982 1.512 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.538 11.561 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.402 9.981 -0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.545 8.916 0.357 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.444 12.520 -1.130 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.806 13.129 -1.988 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -5.924 8.336 0.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.348 11.944 -1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.333 8.144 -0.029 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.526 9.930 -1.223 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.284 9.255 3.073 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.356 9.048 4.039 1.00 0.00 C ATOM 1303 C ALA A 81 -5.099 9.825 5.328 1.00 0.00 C ATOM 1304 O ALA A 81 -6.035 10.258 5.997 1.00 0.00 O ATOM 1305 CB ALA A 81 -5.518 7.565 4.337 1.00 0.00 C ATOM 0 H ALA A 81 -3.792 8.402 2.806 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.281 9.424 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.322 7.425 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.761 7.033 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.588 7.173 4.748 1.00 0.00 H new ATOM 1311 N THR A 82 -3.830 10.000 5.667 1.00 0.00 N ATOM 1312 CA THR A 82 -3.450 10.778 6.837 1.00 0.00 C ATOM 1313 C THR A 82 -3.825 12.247 6.651 1.00 0.00 C ATOM 1314 O THR A 82 -4.472 12.848 7.512 1.00 0.00 O ATOM 1315 CB THR A 82 -1.937 10.659 7.109 1.00 0.00 C ATOM 1316 OG1 THR A 82 -1.594 9.287 7.352 1.00 0.00 O ATOM 1317 CG2 THR A 82 -1.525 11.507 8.301 1.00 0.00 C ATOM 0 H THR A 82 -3.043 9.612 5.146 1.00 0.00 H new ATOM 0 HA THR A 82 -3.993 10.378 7.693 1.00 0.00 H new ATOM 0 HB THR A 82 -1.404 11.022 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.915 8.733 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.453 11.403 8.469 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.761 12.552 8.103 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.065 11.175 9.188 1.00 0.00 H new ATOM 1325 N VAL A 83 -3.447 12.803 5.506 1.00 0.00 N ATOM 1326 CA VAL A 83 -3.726 14.203 5.197 1.00 0.00 C ATOM 1327 C VAL A 83 -5.228 14.434 5.029 1.00 0.00 C ATOM 1328 O VAL A 83 -5.743 15.504 5.347 1.00 0.00 O ATOM 1329 CB VAL A 83 -2.989 14.651 3.913 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.233 16.125 3.623 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -1.499 14.372 4.036 1.00 0.00 C ATOM 0 H VAL A 83 -2.944 12.304 4.772 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.364 14.799 6.035 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.387 14.076 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.702 16.410 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.301 16.297 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.871 16.725 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.993 14.692 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.095 14.920 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.340 13.304 4.183 1.00 0.00 H new ATOM 1341 N ARG A 84 -5.924 13.419 4.534 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.368 13.503 4.343 1.00 0.00 C ATOM 1343 C ARG A 84 -8.109 13.252 5.654 1.00 0.00 C ATOM 1344 O ARG A 84 -9.312 13.485 5.752 1.00 0.00 O ATOM 1345 CB ARG A 84 -7.817 12.504 3.275 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.176 12.735 1.916 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.534 14.098 1.343 1.00 0.00 C ATOM 1348 NE ARG A 84 -8.967 14.225 1.094 1.00 0.00 N ATOM 1349 CZ ARG A 84 -9.657 15.350 1.259 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -9.037 16.471 1.603 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -10.966 15.350 1.047 1.00 0.00 N ATOM 0 H ARG A 84 -5.513 12.527 4.257 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.611 14.511 4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.581 11.495 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.901 12.560 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.093 12.653 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.498 11.955 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.215 14.878 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.989 14.255 0.412 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.471 13.398 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.027 16.473 1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.571 17.331 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.436 14.492 0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.503 16.208 1.171 1.00 0.00 H new ATOM 1365 N GLY A 85 -7.384 12.777 6.659 1.00 0.00 N ATOM 1366 CA GLY A 85 -7.966 12.576 7.973 1.00 0.00 C ATOM 1367 C GLY A 85 -8.800 11.315 8.070 1.00 0.00 C ATOM 1368 O GLY A 85 -9.815 11.287 8.765 1.00 0.00 O ATOM 0 H GLY A 85 -6.398 12.526 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.168 12.534 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.588 13.435 8.223 1.00 0.00 H new ATOM 1372 N TYR A 86 -8.375 10.268 7.377 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.074 8.991 7.427 1.00 0.00 C ATOM 1374 C TYR A 86 -8.422 8.062 8.443 1.00 0.00 C ATOM 1375 O TYR A 86 -9.034 7.098 8.900 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.094 8.322 6.050 1.00 0.00 C ATOM 1377 CG TYR A 86 -9.848 9.102 4.997 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.073 9.692 5.281 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.334 9.249 3.716 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -11.762 10.407 4.319 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.017 9.961 2.749 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.230 10.538 3.056 1.00 0.00 C ATOM 1383 OH TYR A 86 -11.913 11.248 2.095 1.00 0.00 O ATOM 0 H TYR A 86 -7.552 10.277 6.775 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.102 9.186 7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.068 8.176 5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.542 7.333 6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.494 9.590 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.383 8.799 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.713 10.861 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.602 10.065 1.757 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.400 11.245 1.260 1.00 0.00 H new ATOM 1393 N ARG A 87 -7.177 8.365 8.794 1.00 0.00 N ATOM 1394 CA ARG A 87 -6.436 7.568 9.764 1.00 0.00 C ATOM 1395 C ARG A 87 -5.379 8.416 10.458 1.00 0.00 C ATOM 1396 O ARG A 87 -5.211 9.595 10.135 1.00 0.00 O ATOM 1397 CB ARG A 87 -5.771 6.360 9.093 1.00 0.00 C ATOM 1398 CG ARG A 87 -4.841 6.727 7.947 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.041 5.524 7.474 1.00 0.00 C ATOM 1400 NE ARG A 87 -3.033 5.120 8.456 1.00 0.00 N ATOM 1401 CZ ARG A 87 -2.907 3.883 8.942 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.767 2.928 8.598 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -1.918 3.606 9.786 1.00 0.00 N ATOM 0 H ARG A 87 -6.659 9.160 8.420 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.147 7.205 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.207 5.805 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.547 5.692 8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.424 7.127 7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.160 7.515 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.717 4.690 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.553 5.761 6.529 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.383 5.831 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.532 3.138 7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.661 1.986 8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.261 4.337 10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.816 2.663 10.161 1.00 0.00 H new ATOM 1417 N GLU A 88 -4.686 7.819 11.420 1.00 0.00 N ATOM 1418 CA GLU A 88 -3.622 8.504 12.145 1.00 0.00 C ATOM 1419 C GLU A 88 -2.374 8.662 11.279 1.00 0.00 C ATOM 1420 O GLU A 88 -2.261 8.046 10.217 1.00 0.00 O ATOM 1421 CB GLU A 88 -3.289 7.758 13.438 1.00 0.00 C ATOM 1422 CG GLU A 88 -4.214 8.101 14.598 1.00 0.00 C ATOM 1423 CD GLU A 88 -5.683 7.962 14.253 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -6.184 6.822 14.225 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -6.341 8.998 13.997 1.00 0.00 O ATOM 0 H GLU A 88 -4.843 6.856 11.718 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.979 9.502 12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.338 6.685 13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.262 7.985 13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.983 7.452 15.442 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.018 9.124 14.920 1.00 0.00 H new ATOM 1432 N GLY A 89 -1.428 9.463 11.763 1.00 0.00 N ATOM 1433 CA GLY A 89 -0.292 9.866 10.954 1.00 0.00 C ATOM 1434 C GLY A 89 0.868 8.896 10.981 1.00 0.00 C ATOM 1435 O GLY A 89 1.986 9.252 10.606 1.00 0.00 O ATOM 0 H GLY A 89 -1.430 9.843 12.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.622 9.991 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.056 10.840 11.298 1.00 0.00 H new ATOM 1439 N ASP A 90 0.614 7.684 11.430 1.00 0.00 N ATOM 1440 CA ASP A 90 1.644 6.657 11.430 1.00 0.00 C ATOM 1441 C ASP A 90 1.483 5.763 10.214 1.00 0.00 C ATOM 1442 O ASP A 90 0.372 5.325 9.892 1.00 0.00 O ATOM 1443 CB ASP A 90 1.602 5.822 12.707 1.00 0.00 C ATOM 1444 CG ASP A 90 2.788 4.886 12.806 1.00 0.00 C ATOM 1445 OD1 ASP A 90 3.888 5.363 13.155 1.00 0.00 O ATOM 1446 OD2 ASP A 90 2.630 3.678 12.544 1.00 0.00 O ATOM 0 H ASP A 90 -0.289 7.384 11.798 1.00 0.00 H new ATOM 0 HA ASP A 90 2.614 7.153 11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.588 6.483 13.573 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.679 5.243 12.733 1.00 0.00 H new ATOM 1451 N ASN A 91 2.593 5.503 9.543 1.00 0.00 N ATOM 1452 CA ASN A 91 2.587 4.747 8.294 1.00 0.00 C ATOM 1453 C ASN A 91 3.357 3.439 8.456 1.00 0.00 C ATOM 1454 O ASN A 91 4.570 3.394 8.248 1.00 0.00 O ATOM 1455 CB ASN A 91 3.179 5.584 7.154 1.00 0.00 C ATOM 1456 CG ASN A 91 2.926 4.977 5.783 1.00 0.00 C ATOM 1457 OD1 ASN A 91 2.848 3.760 5.626 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.789 5.828 4.778 1.00 0.00 N ATOM 0 H ASN A 91 3.520 5.806 9.843 1.00 0.00 H new ATOM 0 HA ASN A 91 1.554 4.508 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.753 6.587 7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.253 5.689 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.612 5.480 3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.860 6.832 4.946 1.00 0.00 H new ATOM 1465 N PRO A 92 2.663 2.368 8.872 1.00 0.00 N ATOM 1466 CA PRO A 92 3.278 1.062 9.141 1.00 0.00 C ATOM 1467 C PRO A 92 3.801 0.365 7.882 1.00 0.00 C ATOM 1468 O PRO A 92 4.402 -0.707 7.966 1.00 0.00 O ATOM 1469 CB PRO A 92 2.135 0.240 9.758 1.00 0.00 C ATOM 1470 CG PRO A 92 1.068 1.223 10.097 1.00 0.00 C ATOM 1471 CD PRO A 92 1.216 2.343 9.115 1.00 0.00 C ATOM 0 HA PRO A 92 4.152 1.169 9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.768 -0.509 9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.472 -0.294 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.080 0.768 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.179 1.583 11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.655 2.156 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.857 3.288 9.522 1.00 0.00 H new ATOM 1479 N ALA A 93 3.572 0.966 6.718 1.00 0.00 N ATOM 1480 CA ALA A 93 4.042 0.390 5.463 1.00 0.00 C ATOM 1481 C ALA A 93 5.503 0.750 5.226 1.00 0.00 C ATOM 1482 O ALA A 93 6.176 0.166 4.371 1.00 0.00 O ATOM 1483 CB ALA A 93 3.179 0.860 4.301 1.00 0.00 C ATOM 0 H ALA A 93 3.067 1.846 6.618 1.00 0.00 H new ATOM 0 HA ALA A 93 3.961 -0.695 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.546 0.419 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.147 0.551 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.225 1.947 4.230 1.00 0.00 H new ATOM 1489 N ARG A 94 5.989 1.716 5.993 1.00 0.00 N ATOM 1490 CA ARG A 94 7.375 2.129 5.908 1.00 0.00 C ATOM 1491 C ARG A 94 8.144 1.613 7.115 1.00 0.00 C ATOM 1492 O ARG A 94 7.707 1.755 8.258 1.00 0.00 O ATOM 1493 CB ARG A 94 7.485 3.651 5.816 1.00 0.00 C ATOM 1494 CG ARG A 94 8.917 4.154 5.717 1.00 0.00 C ATOM 1495 CD ARG A 94 8.973 5.670 5.615 1.00 0.00 C ATOM 1496 NE ARG A 94 8.433 6.168 4.349 1.00 0.00 N ATOM 1497 CZ ARG A 94 8.458 7.451 3.983 1.00 0.00 C ATOM 1498 NH1 ARG A 94 8.948 8.375 4.805 1.00 0.00 N ATOM 1499 NH2 ARG A 94 7.987 7.812 2.795 1.00 0.00 N ATOM 0 H ARG A 94 5.438 2.228 6.682 1.00 0.00 H new ATOM 0 HA ARG A 94 7.809 1.704 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.927 3.995 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.013 4.095 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.479 3.827 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.399 3.712 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.413 6.107 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.007 6.000 5.720 1.00 0.00 H new ATOM 0 HE ARG A 94 8.013 5.494 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.307 8.104 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.965 9.354 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.606 7.109 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.006 8.793 2.515 1.00 0.00 H new ATOM 1513 N TRP A 95 9.284 1.015 6.843 1.00 0.00 N ATOM 1514 CA TRP A 95 10.121 0.426 7.877 1.00 0.00 C ATOM 1515 C TRP A 95 11.471 1.118 7.948 1.00 0.00 C ATOM 1516 O TRP A 95 11.990 1.599 6.940 1.00 0.00 O ATOM 1517 CB TRP A 95 10.324 -1.060 7.609 1.00 0.00 C ATOM 1518 CG TRP A 95 9.236 -1.907 8.176 1.00 0.00 C ATOM 1519 CD1 TRP A 95 9.027 -2.165 9.496 1.00 0.00 C ATOM 1520 CD2 TRP A 95 8.213 -2.604 7.460 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.947 -2.996 9.649 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.425 -3.275 8.413 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.886 -2.728 6.108 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.333 -4.060 8.056 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.801 -3.506 5.756 1.00 0.00 C ATOM 1526 CH2 TRP A 95 6.036 -4.162 6.727 1.00 0.00 C ATOM 0 H TRP A 95 9.661 0.921 5.900 1.00 0.00 H new ATOM 0 HA TRP A 95 9.613 0.557 8.832 1.00 0.00 H new ATOM 0 HB2 TRP A 95 10.382 -1.225 6.533 1.00 0.00 H new ATOM 0 HB3 TRP A 95 11.279 -1.373 8.032 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.625 -1.772 10.305 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.591 -3.349 10.537 1.00 0.00 H new ATOM 0 HE3 TRP A 95 8.471 -2.225 5.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.742 -4.570 8.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.538 -3.610 4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.193 -4.762 6.419 1.00 0.00 H new ATOM 1537 N ARG A 96 12.032 1.174 9.143 1.00 0.00 N ATOM 1538 CA ARG A 96 13.363 1.705 9.332 1.00 0.00 C ATOM 1539 C ARG A 96 14.334 0.551 9.563 1.00 0.00 C ATOM 1540 O ARG A 96 15.546 0.687 9.389 1.00 0.00 O ATOM 1541 CB ARG A 96 13.379 2.669 10.517 1.00 0.00 C ATOM 1542 CG ARG A 96 14.629 3.522 10.580 1.00 0.00 C ATOM 1543 CD ARG A 96 14.600 4.483 11.756 1.00 0.00 C ATOM 1544 NE ARG A 96 15.772 5.357 11.775 1.00 0.00 N ATOM 1545 CZ ARG A 96 16.521 5.580 12.851 1.00 0.00 C ATOM 1546 NH1 ARG A 96 16.221 5.009 14.014 1.00 0.00 N ATOM 1547 NH2 ARG A 96 17.569 6.391 12.761 1.00 0.00 N ATOM 0 H ARG A 96 11.580 0.855 10.000 1.00 0.00 H new ATOM 0 HA ARG A 96 13.669 2.255 8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.506 3.320 10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.290 2.099 11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.505 2.878 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.731 4.086 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.696 5.089 11.707 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.554 3.917 12.686 1.00 0.00 H new ATOM 0 HE ARG A 96 16.032 5.826 10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.410 4.394 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.801 5.186 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 96 17.794 6.837 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 96 18.149 6.568 13.581 1.00 0.00 H new ATOM 1561 N GLY A 97 13.781 -0.588 9.960 1.00 0.00 N ATOM 1562 CA GLY A 97 14.575 -1.782 10.140 1.00 0.00 C ATOM 1563 C GLY A 97 13.986 -2.970 9.403 1.00 0.00 C ATOM 1564 O GLY A 97 14.325 -3.210 8.243 1.00 0.00 O ATOM 0 H GLY A 97 12.788 -0.703 10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.589 -1.601 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.647 -2.013 11.203 1.00 0.00 H new ATOM 1568 N TYR A 98 13.086 -3.685 10.079 1.00 0.00 N ATOM 1569 CA TYR A 98 12.424 -4.880 9.542 1.00 0.00 C ATOM 1570 C TYR A 98 13.421 -5.997 9.199 1.00 0.00 C ATOM 1571 O TYR A 98 13.513 -6.993 9.917 1.00 0.00 O ATOM 1572 CB TYR A 98 11.572 -4.536 8.316 1.00 0.00 C ATOM 1573 CG TYR A 98 10.811 -5.720 7.758 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.991 -6.489 8.578 1.00 0.00 C ATOM 1575 CD2 TYR A 98 10.924 -6.080 6.422 1.00 0.00 C ATOM 1576 CE1 TYR A 98 9.307 -7.581 8.081 1.00 0.00 C ATOM 1577 CE2 TYR A 98 10.244 -7.175 5.917 1.00 0.00 C ATOM 1578 CZ TYR A 98 9.435 -7.919 6.750 1.00 0.00 C ATOM 1579 OH TYR A 98 8.767 -9.017 6.253 1.00 0.00 O ATOM 0 H TYR A 98 12.791 -3.450 11.027 1.00 0.00 H new ATOM 0 HA TYR A 98 11.771 -5.254 10.331 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.863 -3.752 8.584 1.00 0.00 H new ATOM 0 HB3 TYR A 98 12.217 -4.129 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.888 -6.227 9.621 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.553 -5.496 5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.675 -8.167 8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 98 10.346 -7.445 4.876 1.00 0.00 H new ATOM 0 HH TYR A 98 9.106 -9.229 5.358 1.00 0.00 H new ATOM 1589 N LEU A 99 14.165 -5.821 8.108 1.00 0.00 N ATOM 1590 CA LEU A 99 15.093 -6.842 7.626 1.00 0.00 C ATOM 1591 C LEU A 99 16.249 -7.036 8.599 1.00 0.00 C ATOM 1592 O LEU A 99 16.745 -8.153 8.761 1.00 0.00 O ATOM 1593 CB LEU A 99 15.637 -6.470 6.243 1.00 0.00 C ATOM 1594 CG LEU A 99 14.598 -6.429 5.123 1.00 0.00 C ATOM 1595 CD1 LEU A 99 15.243 -5.977 3.822 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.948 -7.792 4.949 1.00 0.00 C ATOM 0 H LEU A 99 14.142 -4.975 7.538 1.00 0.00 H new ATOM 0 HA LEU A 99 14.542 -7.779 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 99 16.115 -5.492 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 99 16.413 -7.186 5.971 1.00 0.00 H new ATOM 0 HG LEU A 99 13.823 -5.712 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.492 -5.952 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 99 15.665 -4.981 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 99 16.035 -6.674 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.211 -7.744 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.710 -8.529 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.456 -8.082 5.877 1.00 0.00 H new ATOM 1608 N GLU A 100 16.674 -5.937 9.224 1.00 0.00 N ATOM 1609 CA GLU A 100 17.736 -5.947 10.235 1.00 0.00 C ATOM 1610 C GLU A 100 19.116 -6.202 9.620 1.00 0.00 C ATOM 1611 O GLU A 100 19.973 -5.322 9.631 1.00 0.00 O ATOM 1612 CB GLU A 100 17.441 -6.981 11.326 1.00 0.00 C ATOM 1613 CG GLU A 100 18.467 -6.992 12.444 1.00 0.00 C ATOM 1614 CD GLU A 100 18.274 -8.150 13.395 1.00 0.00 C ATOM 1615 OE1 GLU A 100 17.519 -8.001 14.374 1.00 0.00 O ATOM 1616 OE2 GLU A 100 18.884 -9.218 13.170 1.00 0.00 O ATOM 0 H GLU A 100 16.290 -5.009 9.043 1.00 0.00 H new ATOM 0 HA GLU A 100 17.755 -4.955 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.457 -6.780 11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.397 -7.972 10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 100 19.467 -7.042 12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 100 18.405 -6.056 12.999 1.00 0.00 H new ATOM 1623 N HIS A 101 19.324 -7.398 9.080 1.00 0.00 N ATOM 1624 CA HIS A 101 20.627 -7.784 8.544 1.00 0.00 C ATOM 1625 C HIS A 101 20.960 -6.963 7.300 1.00 0.00 C ATOM 1626 O HIS A 101 20.354 -7.137 6.243 1.00 0.00 O ATOM 1627 CB HIS A 101 20.648 -9.285 8.226 1.00 0.00 C ATOM 1628 CG HIS A 101 22.006 -9.817 7.865 1.00 0.00 C ATOM 1629 ND1 HIS A 101 22.218 -10.718 6.845 1.00 0.00 N ATOM 1630 CD2 HIS A 101 23.224 -9.586 8.411 1.00 0.00 C ATOM 1631 CE1 HIS A 101 23.500 -11.017 6.783 1.00 0.00 C ATOM 1632 NE2 HIS A 101 24.135 -10.343 7.718 1.00 0.00 N ATOM 0 H HIS A 101 18.607 -8.119 9.001 1.00 0.00 H new ATOM 0 HA HIS A 101 21.387 -7.581 9.298 1.00 0.00 H new ATOM 0 HB2 HIS A 101 20.273 -9.834 9.090 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.962 -9.480 7.402 1.00 0.00 H new ATOM 0 HD2 HIS A 101 23.439 -8.927 9.239 1.00 0.00 H new ATOM 0 HE1 HIS A 101 23.954 -11.701 6.082 1.00 0.00 H new ATOM 0 HE2 HIS A 101 25.138 -10.378 7.898 1.00 0.00 H new ATOM 1641 N HIS A 102 21.926 -6.064 7.442 1.00 0.00 N ATOM 1642 CA HIS A 102 22.285 -5.143 6.367 1.00 0.00 C ATOM 1643 C HIS A 102 23.431 -5.684 5.524 1.00 0.00 C ATOM 1644 O HIS A 102 24.374 -6.283 6.043 1.00 0.00 O ATOM 1645 CB HIS A 102 22.655 -3.759 6.931 1.00 0.00 C ATOM 1646 CG HIS A 102 23.858 -3.751 7.836 1.00 0.00 C ATOM 1647 ND1 HIS A 102 25.035 -3.102 7.523 1.00 0.00 N ATOM 1648 CD2 HIS A 102 24.055 -4.307 9.056 1.00 0.00 C ATOM 1649 CE1 HIS A 102 25.900 -3.265 8.508 1.00 0.00 C ATOM 1650 NE2 HIS A 102 25.329 -3.988 9.448 1.00 0.00 N ATOM 0 H HIS A 102 22.477 -5.952 8.293 1.00 0.00 H new ATOM 0 HA HIS A 102 21.410 -5.041 5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 102 22.839 -3.080 6.099 1.00 0.00 H new ATOM 0 HB3 HIS A 102 21.800 -3.365 7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 102 23.341 -4.893 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 102 26.905 -2.872 8.537 1.00 0.00 H new ATOM 0 HE2 HIS A 102 25.765 -4.266 10.327 1.00 0.00 H new ATOM 1659 N HIS A 103 23.325 -5.486 4.219 1.00 0.00 N ATOM 1660 CA HIS A 103 24.403 -5.802 3.294 1.00 0.00 C ATOM 1661 C HIS A 103 24.809 -4.556 2.525 1.00 0.00 C ATOM 1662 O HIS A 103 24.035 -4.043 1.716 1.00 0.00 O ATOM 1663 CB HIS A 103 23.980 -6.889 2.301 1.00 0.00 C ATOM 1664 CG HIS A 103 24.142 -8.285 2.811 1.00 0.00 C ATOM 1665 ND1 HIS A 103 23.108 -9.194 2.864 1.00 0.00 N ATOM 1666 CD2 HIS A 103 25.240 -8.946 3.244 1.00 0.00 C ATOM 1667 CE1 HIS A 103 23.564 -10.350 3.305 1.00 0.00 C ATOM 1668 NE2 HIS A 103 24.857 -10.229 3.542 1.00 0.00 N ATOM 0 H HIS A 103 22.492 -5.103 3.772 1.00 0.00 H new ATOM 0 HA HIS A 103 25.247 -6.171 3.878 1.00 0.00 H new ATOM 0 HB2 HIS A 103 22.936 -6.732 2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.565 -6.778 1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 103 26.236 -8.538 3.338 1.00 0.00 H new ATOM 0 HE1 HIS A 103 22.978 -11.246 3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 103 25.470 -10.967 3.889 1.00 0.00 H new ATOM 1677 N HIS A 104 26.009 -4.060 2.779 1.00 0.00 N ATOM 1678 CA HIS A 104 26.512 -2.916 2.040 1.00 0.00 C ATOM 1679 C HIS A 104 27.250 -3.411 0.805 1.00 0.00 C ATOM 1680 O HIS A 104 28.475 -3.547 0.801 1.00 0.00 O ATOM 1681 CB HIS A 104 27.432 -2.047 2.907 1.00 0.00 C ATOM 1682 CG HIS A 104 27.748 -0.711 2.294 1.00 0.00 C ATOM 1683 ND1 HIS A 104 28.990 -0.379 1.797 1.00 0.00 N ATOM 1684 CD2 HIS A 104 26.969 0.381 2.108 1.00 0.00 C ATOM 1685 CE1 HIS A 104 28.962 0.854 1.333 1.00 0.00 C ATOM 1686 NE2 HIS A 104 27.749 1.338 1.508 1.00 0.00 N ATOM 0 H HIS A 104 26.647 -4.428 3.485 1.00 0.00 H new ATOM 0 HA HIS A 104 25.670 -2.292 1.741 1.00 0.00 H new ATOM 0 HB2 HIS A 104 26.962 -1.890 3.878 1.00 0.00 H new ATOM 0 HB3 HIS A 104 28.363 -2.585 3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.929 0.480 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 104 29.793 1.379 0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 104 27.440 2.273 1.241 1.00 0.00 H new ATOM 1695 N HIS A 105 26.485 -3.723 -0.223 1.00 0.00 N ATOM 1696 CA HIS A 105 27.035 -4.271 -1.447 1.00 0.00 C ATOM 1697 C HIS A 105 26.661 -3.368 -2.613 1.00 0.00 C ATOM 1698 O HIS A 105 25.536 -2.870 -2.669 1.00 0.00 O ATOM 1699 CB HIS A 105 26.504 -5.694 -1.653 1.00 0.00 C ATOM 1700 CG HIS A 105 27.293 -6.518 -2.624 1.00 0.00 C ATOM 1701 ND1 HIS A 105 26.716 -7.229 -3.651 1.00 0.00 N ATOM 1702 CD2 HIS A 105 28.619 -6.767 -2.695 1.00 0.00 C ATOM 1703 CE1 HIS A 105 27.654 -7.879 -4.314 1.00 0.00 C ATOM 1704 NE2 HIS A 105 28.820 -7.615 -3.754 1.00 0.00 N ATOM 0 H HIS A 105 25.472 -3.605 -0.234 1.00 0.00 H new ATOM 0 HA HIS A 105 28.122 -4.319 -1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 105 26.489 -6.205 -0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 105 25.472 -5.636 -1.999 1.00 0.00 H new ATOM 0 HD2 HIS A 105 29.380 -6.371 -2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 105 27.495 -8.518 -5.170 1.00 0.00 H new ATOM 0 HE2 HIS A 105 29.722 -7.981 -4.059 1.00 0.00 H new ATOM 1713 N HIS A 106 27.610 -3.176 -3.527 1.00 0.00 N ATOM 1714 CA HIS A 106 27.505 -2.205 -4.625 1.00 0.00 C ATOM 1715 C HIS A 106 26.973 -0.858 -4.124 1.00 0.00 C ATOM 1716 O HIS A 106 25.951 -0.368 -4.644 1.00 0.00 O ATOM 1717 CB HIS A 106 26.695 -2.747 -5.833 1.00 0.00 C ATOM 1718 CG HIS A 106 25.264 -3.126 -5.568 1.00 0.00 C ATOM 1719 ND1 HIS A 106 24.267 -2.202 -5.355 1.00 0.00 N ATOM 1720 CD2 HIS A 106 24.664 -4.337 -5.512 1.00 0.00 C ATOM 1721 CE1 HIS A 106 23.118 -2.823 -5.179 1.00 0.00 C ATOM 1722 NE2 HIS A 106 23.331 -4.122 -5.269 1.00 0.00 N ATOM 1723 OXT HIS A 106 27.588 -0.302 -3.186 1.00 0.00 O ATOM 0 H HIS A 106 28.488 -3.696 -3.530 1.00 0.00 H new ATOM 0 HA HIS A 106 28.515 -2.039 -5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 106 26.708 -1.991 -6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 106 27.212 -3.623 -6.225 1.00 0.00 H new ATOM 0 HD1 HIS A 106 24.397 -1.191 -5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 106 25.145 -5.296 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 106 22.165 -2.350 -4.993 1.00 0.00 H new TER 1732 HIS A 106