USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot 2:sc= -0.655! USER MOD Set 2.2: A 12 SER OG : rot 163:sc= -1.65 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -4.87! C(o=-13!,f=-11!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ -149:sc= -0.999 (180deg=-3.41!) USER MOD Set 3.3: A 66 ASN : amide:sc= -7.17! C(o=-13!,f=-7.6!) USER MOD Single : A 1 ILE N :NH3+ 169:sc= 0.1 (180deg=-0.0991) USER MOD Single : A 6 THR OG1 : rot -63:sc= -2.76! USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.351 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -24:sc= 0.343 USER MOD Single : A 21 ASN : amide:sc= -7.64! C(o=-7.6!,f=-18!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 90:sc= 0.00562 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -114:sc=-0.00271 (180deg=-0.829) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 50 SER OG : rot -160:sc= -1.23 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.334) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0772) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 160:sc= -0.528 USER MOD Single : A 61 SER OG : rot -45:sc= 0.41 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.512 USER MOD Single : A 68 HIS : no HD1:sc= -1.98 K(o=-2,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.031 13.205 0.268 1.00 0.00 N ATOM 2 CA ILE A 1 -1.708 12.604 0.576 1.00 0.00 C ATOM 3 C ILE A 1 -1.733 11.894 1.929 1.00 0.00 C ATOM 4 O ILE A 1 -1.254 12.422 2.933 1.00 0.00 O ATOM 5 CB ILE A 1 -0.596 13.674 0.571 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.770 13.022 0.783 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.861 14.731 1.634 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.124 12.007 -0.282 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.943 13.834 -0.556 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.714 12.450 0.056 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.363 13.752 1.088 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.493 11.873 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.595 14.167 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 1 1.535 13.798 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.784 12.535 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.065 15.475 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.817 15.216 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.891 14.260 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.106 11.584 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.379 11.211 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.142 12.494 -1.257 1.00 0.00 H new ATOM 22 N VAL A 2 -2.305 10.693 1.937 1.00 0.00 N ATOM 23 CA VAL A 2 -2.420 9.885 3.147 1.00 0.00 C ATOM 24 C VAL A 2 -2.684 8.422 2.791 1.00 0.00 C ATOM 25 O VAL A 2 -2.466 8.016 1.655 1.00 0.00 O ATOM 26 CB VAL A 2 -3.556 10.403 4.043 1.00 0.00 C ATOM 27 CG1 VAL A 2 -3.208 11.767 4.619 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.859 10.464 3.266 1.00 0.00 C ATOM 0 H VAL A 2 -2.701 10.253 1.106 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.477 9.960 3.689 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.683 9.708 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.026 12.115 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.298 11.689 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.050 12.476 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.653 10.833 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.744 11.136 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.116 9.467 2.909 1.00 0.00 H new ATOM 38 N CYS A 3 -3.151 7.625 3.753 1.00 0.00 N ATOM 39 CA CYS A 3 -3.429 6.217 3.480 1.00 0.00 C ATOM 40 C CYS A 3 -4.564 6.080 2.456 1.00 0.00 C ATOM 41 O CYS A 3 -4.634 6.864 1.516 1.00 0.00 O ATOM 42 CB CYS A 3 -3.741 5.469 4.778 1.00 0.00 C ATOM 43 SG CYS A 3 -2.329 5.384 5.929 1.00 0.00 S ATOM 0 H CYS A 3 -3.341 7.924 4.710 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.539 5.761 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.577 5.958 5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.063 4.456 4.536 1.00 0.00 H new ATOM 48 N HIS A 4 -5.431 5.072 2.610 1.00 0.00 N ATOM 49 CA HIS A 4 -6.528 4.840 1.663 1.00 0.00 C ATOM 50 C HIS A 4 -7.158 6.129 1.147 1.00 0.00 C ATOM 51 O HIS A 4 -7.746 6.906 1.900 1.00 0.00 O ATOM 52 CB HIS A 4 -7.569 3.934 2.299 1.00 0.00 C ATOM 53 CG HIS A 4 -6.968 2.636 2.722 1.00 0.00 C ATOM 54 ND1 HIS A 4 -6.327 2.472 3.927 1.00 0.00 N ATOM 55 CD2 HIS A 4 -6.858 1.456 2.074 1.00 0.00 C ATOM 56 CE1 HIS A 4 -5.849 1.250 4.006 1.00 0.00 C ATOM 57 NE2 HIS A 4 -6.155 0.606 2.893 1.00 0.00 N ATOM 0 H HIS A 4 -5.394 4.405 3.381 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.104 4.348 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.010 4.432 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -8.377 3.750 1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.236 3.188 4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.250 1.224 1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.299 0.841 4.840 1.00 0.00 H new ATOM 66 N THR A 5 -7.015 6.332 -0.162 1.00 0.00 N ATOM 67 CA THR A 5 -7.542 7.504 -0.841 1.00 0.00 C ATOM 68 C THR A 5 -9.073 7.458 -0.899 1.00 0.00 C ATOM 69 O THR A 5 -9.710 6.728 -0.139 1.00 0.00 O ATOM 70 CB THR A 5 -6.942 7.580 -2.260 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.708 8.927 -2.636 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.817 6.959 -3.329 1.00 0.00 C ATOM 0 H THR A 5 -6.528 5.683 -0.779 1.00 0.00 H new ATOM 0 HA THR A 5 -7.261 8.398 -0.284 1.00 0.00 H new ATOM 0 HB THR A 5 -6.014 7.012 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.953 9.521 -1.896 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.328 7.051 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.976 5.905 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.778 7.473 -3.357 1.00 0.00 H new ATOM 80 N THR A 6 -9.655 8.235 -1.813 1.00 0.00 N ATOM 81 CA THR A 6 -11.103 8.277 -1.984 1.00 0.00 C ATOM 82 C THR A 6 -11.596 7.142 -2.878 1.00 0.00 C ATOM 83 O THR A 6 -12.550 7.310 -3.637 1.00 0.00 O ATOM 84 CB THR A 6 -11.519 9.621 -2.583 1.00 0.00 C ATOM 85 OG1 THR A 6 -12.899 9.628 -2.899 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.759 9.973 -3.844 1.00 0.00 C ATOM 0 H THR A 6 -9.141 8.846 -2.448 1.00 0.00 H new ATOM 0 HA THR A 6 -11.558 8.155 -1.001 1.00 0.00 H new ATOM 0 HB THR A 6 -11.288 10.361 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.080 8.954 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.102 10.938 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.693 10.027 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.934 9.208 -4.600 1.00 0.00 H new ATOM 94 N ALA A 7 -10.950 5.984 -2.783 1.00 0.00 N ATOM 95 CA ALA A 7 -11.339 4.830 -3.582 1.00 0.00 C ATOM 96 C ALA A 7 -12.204 3.875 -2.768 1.00 0.00 C ATOM 97 O ALA A 7 -12.204 2.667 -3.004 1.00 0.00 O ATOM 98 CB ALA A 7 -10.107 4.111 -4.108 1.00 0.00 C ATOM 0 H ALA A 7 -10.157 5.821 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.926 5.184 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.414 3.251 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.525 4.793 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.497 3.773 -3.270 1.00 0.00 H new ATOM 104 N THR A 8 -12.939 4.424 -1.805 1.00 0.00 N ATOM 105 CA THR A 8 -13.805 3.618 -0.954 1.00 0.00 C ATOM 106 C THR A 8 -14.873 4.474 -0.279 1.00 0.00 C ATOM 107 O THR A 8 -16.064 4.173 -0.364 1.00 0.00 O ATOM 108 CB THR A 8 -12.979 2.890 0.106 1.00 0.00 C ATOM 109 OG1 THR A 8 -11.937 2.142 -0.495 1.00 0.00 O ATOM 110 CG2 THR A 8 -13.797 1.939 0.953 1.00 0.00 C ATOM 0 H THR A 8 -12.951 5.422 -1.596 1.00 0.00 H new ATOM 0 HA THR A 8 -14.305 2.885 -1.588 1.00 0.00 H new ATOM 0 HB THR A 8 -12.581 3.674 0.750 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.158 1.970 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.150 1.455 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.579 2.494 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.251 1.182 0.314 1.00 0.00 H new ATOM 118 N SER A 9 -14.444 5.543 0.393 1.00 0.00 N ATOM 119 CA SER A 9 -15.374 6.436 1.083 1.00 0.00 C ATOM 120 C SER A 9 -14.647 7.435 1.990 1.00 0.00 C ATOM 121 O SER A 9 -14.992 8.614 2.011 1.00 0.00 O ATOM 122 CB SER A 9 -16.382 5.630 1.911 1.00 0.00 C ATOM 123 OG SER A 9 -16.977 6.432 2.918 1.00 0.00 O ATOM 0 H SER A 9 -13.463 5.810 0.474 1.00 0.00 H new ATOM 0 HA SER A 9 -15.902 7.000 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.156 5.230 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.881 4.778 2.370 1.00 0.00 H new ATOM 0 HG SER A 9 -17.616 5.894 3.430 1.00 0.00 H new ATOM 129 N PRO A 10 -13.649 6.981 2.774 1.00 0.00 N ATOM 130 CA PRO A 10 -12.905 7.856 3.694 1.00 0.00 C ATOM 131 C PRO A 10 -12.291 9.079 3.009 1.00 0.00 C ATOM 132 O PRO A 10 -12.213 10.153 3.604 1.00 0.00 O ATOM 133 CB PRO A 10 -11.804 6.945 4.242 1.00 0.00 C ATOM 134 CG PRO A 10 -12.350 5.568 4.103 1.00 0.00 C ATOM 135 CD PRO A 10 -13.179 5.583 2.850 1.00 0.00 C ATOM 0 HA PRO A 10 -13.562 8.273 4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.877 7.062 3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.578 7.178 5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.547 4.834 4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.954 5.297 4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.591 5.308 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.011 4.881 2.909 1.00 0.00 H new ATOM 143 N ILE A 11 -11.851 8.911 1.766 1.00 0.00 N ATOM 144 CA ILE A 11 -11.237 10.009 1.017 1.00 0.00 C ATOM 145 C ILE A 11 -9.952 10.480 1.679 1.00 0.00 C ATOM 146 O ILE A 11 -9.964 10.880 2.843 1.00 0.00 O ATOM 147 CB ILE A 11 -12.170 11.234 0.898 1.00 0.00 C ATOM 148 CG1 ILE A 11 -13.633 10.811 0.760 1.00 0.00 C ATOM 149 CG2 ILE A 11 -11.748 12.103 -0.276 1.00 0.00 C ATOM 150 CD1 ILE A 11 -13.891 9.860 -0.387 1.00 0.00 C ATOM 0 H ILE A 11 -11.906 8.030 1.255 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.034 9.606 0.025 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.082 11.816 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.954 10.340 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.247 11.701 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.413 12.963 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.725 12.447 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.803 11.522 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.951 9.607 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.603 10.335 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.305 8.952 -0.245 1.00 0.00 H new ATOM 162 N SER A 12 -8.845 10.450 0.933 1.00 0.00 N ATOM 163 CA SER A 12 -7.551 10.904 1.462 1.00 0.00 C ATOM 164 C SER A 12 -7.716 12.078 2.435 1.00 0.00 C ATOM 165 O SER A 12 -7.890 13.220 2.007 1.00 0.00 O ATOM 166 CB SER A 12 -6.641 11.346 0.316 1.00 0.00 C ATOM 167 OG SER A 12 -6.739 10.471 -0.790 1.00 0.00 O ATOM 0 H SER A 12 -8.815 10.120 -0.032 1.00 0.00 H new ATOM 0 HA SER A 12 -7.109 10.064 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.908 12.356 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.608 11.381 0.663 1.00 0.00 H new ATOM 0 HG SER A 12 -6.373 10.909 -1.587 1.00 0.00 H new ATOM 173 N ALA A 13 -7.657 11.802 3.739 1.00 0.00 N ATOM 174 CA ALA A 13 -7.799 12.858 4.741 1.00 0.00 C ATOM 175 C ALA A 13 -7.585 12.340 6.166 1.00 0.00 C ATOM 176 O ALA A 13 -8.441 12.520 7.032 1.00 0.00 O ATOM 177 CB ALA A 13 -9.167 13.513 4.617 1.00 0.00 C ATOM 0 H ALA A 13 -7.514 10.868 4.122 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.022 13.597 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.264 14.298 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.274 13.946 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.944 12.765 4.773 1.00 0.00 H new ATOM 183 N VAL A 14 -6.434 11.709 6.406 1.00 0.00 N ATOM 184 CA VAL A 14 -6.098 11.173 7.732 1.00 0.00 C ATOM 185 C VAL A 14 -4.822 10.335 7.668 1.00 0.00 C ATOM 186 O VAL A 14 -4.193 10.240 6.627 1.00 0.00 O ATOM 187 CB VAL A 14 -7.233 10.299 8.320 1.00 0.00 C ATOM 188 CG1 VAL A 14 -8.113 11.114 9.257 1.00 0.00 C ATOM 189 CG2 VAL A 14 -8.064 9.658 7.214 1.00 0.00 C ATOM 0 H VAL A 14 -5.715 11.555 5.699 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.952 12.035 8.383 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.773 9.497 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.903 10.479 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.509 11.503 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.558 11.944 8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.853 9.050 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.510 10.437 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.424 9.027 6.597 1.00 0.00 H new ATOM 199 N THR A 15 -4.456 9.713 8.787 1.00 0.00 N ATOM 200 CA THR A 15 -3.263 8.862 8.849 1.00 0.00 C ATOM 201 C THR A 15 -1.968 9.677 8.909 1.00 0.00 C ATOM 202 O THR A 15 -1.985 10.873 9.202 1.00 0.00 O ATOM 203 CB THR A 15 -3.221 7.889 7.663 1.00 0.00 C ATOM 204 OG1 THR A 15 -2.589 8.480 6.542 1.00 0.00 O ATOM 205 CG2 THR A 15 -4.589 7.408 7.225 1.00 0.00 C ATOM 0 H THR A 15 -4.968 9.781 9.667 1.00 0.00 H new ATOM 0 HA THR A 15 -3.334 8.291 9.775 1.00 0.00 H new ATOM 0 HB THR A 15 -2.654 7.030 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.657 9.456 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.482 6.724 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.075 6.891 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.196 8.262 6.924 1.00 0.00 H new ATOM 213 N CYS A 16 -0.844 9.002 8.645 1.00 0.00 N ATOM 214 CA CYS A 16 0.485 9.622 8.677 1.00 0.00 C ATOM 215 C CYS A 16 0.481 11.048 8.115 1.00 0.00 C ATOM 216 O CYS A 16 0.084 11.274 6.973 1.00 0.00 O ATOM 217 CB CYS A 16 1.481 8.765 7.888 1.00 0.00 C ATOM 218 SG CYS A 16 2.110 7.315 8.798 1.00 0.00 S ATOM 0 H CYS A 16 -0.830 8.011 8.403 1.00 0.00 H new ATOM 0 HA CYS A 16 0.785 9.682 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.001 8.423 6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.325 9.388 7.593 1.00 0.00 H new ATOM 223 N PRO A 17 0.929 12.034 8.918 1.00 0.00 N ATOM 224 CA PRO A 17 0.980 13.444 8.500 1.00 0.00 C ATOM 225 C PRO A 17 1.886 13.691 7.286 1.00 0.00 C ATOM 226 O PRO A 17 1.539 14.475 6.403 1.00 0.00 O ATOM 227 CB PRO A 17 1.547 14.171 9.726 1.00 0.00 C ATOM 228 CG PRO A 17 1.333 13.241 10.871 1.00 0.00 C ATOM 229 CD PRO A 17 1.414 11.856 10.299 1.00 0.00 C ATOM 0 HA PRO A 17 -0.006 13.789 8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.605 14.396 9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.037 15.120 9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.090 13.390 11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.364 13.414 11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.433 11.470 10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.794 11.153 10.856 1.00 0.00 H new ATOM 237 N PRO A 18 3.073 13.046 7.235 1.00 0.00 N ATOM 238 CA PRO A 18 4.033 13.221 6.133 1.00 0.00 C ATOM 239 C PRO A 18 3.388 13.208 4.749 1.00 0.00 C ATOM 240 O PRO A 18 2.177 13.037 4.614 1.00 0.00 O ATOM 241 CB PRO A 18 4.961 12.023 6.298 1.00 0.00 C ATOM 242 CG PRO A 18 4.967 11.757 7.762 1.00 0.00 C ATOM 243 CD PRO A 18 3.588 12.113 8.258 1.00 0.00 C ATOM 0 HA PRO A 18 4.528 14.191 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.599 11.160 5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.963 12.243 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.197 10.711 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.728 12.355 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.955 11.230 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.625 12.580 9.242 1.00 0.00 H new ATOM 251 N GLY A 19 4.218 13.392 3.723 1.00 0.00 N ATOM 252 CA GLY A 19 3.730 13.403 2.353 1.00 0.00 C ATOM 253 C GLY A 19 4.310 12.275 1.515 1.00 0.00 C ATOM 254 O GLY A 19 4.713 11.240 2.047 1.00 0.00 O ATOM 0 H GLY A 19 5.224 13.534 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.643 13.324 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.978 14.358 1.891 1.00 0.00 H new ATOM 258 N GLU A 20 4.368 12.489 0.203 1.00 0.00 N ATOM 259 CA GLU A 20 4.919 11.505 -0.728 1.00 0.00 C ATOM 260 C GLU A 20 4.036 10.251 -0.845 1.00 0.00 C ATOM 261 O GLU A 20 2.914 10.328 -1.341 1.00 0.00 O ATOM 262 CB GLU A 20 6.349 11.149 -0.316 1.00 0.00 C ATOM 263 CG GLU A 20 7.250 12.363 -0.191 1.00 0.00 C ATOM 264 CD GLU A 20 8.629 12.132 -0.778 1.00 0.00 C ATOM 265 OE1 GLU A 20 8.712 11.678 -1.939 1.00 0.00 O ATOM 266 OE2 GLU A 20 9.626 12.404 -0.077 1.00 0.00 O ATOM 0 H GLU A 20 4.037 13.344 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 20 4.939 11.954 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.326 10.621 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.772 10.463 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.783 13.210 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.348 12.631 0.861 1.00 0.00 H new ATOM 273 N ASN A 21 4.552 9.093 -0.425 1.00 0.00 N ATOM 274 CA ASN A 21 3.810 7.841 -0.524 1.00 0.00 C ATOM 275 C ASN A 21 2.624 7.790 0.431 1.00 0.00 C ATOM 276 O ASN A 21 1.479 7.635 0.007 1.00 0.00 O ATOM 277 CB ASN A 21 4.739 6.664 -0.231 1.00 0.00 C ATOM 278 CG ASN A 21 5.307 6.047 -1.489 1.00 0.00 C ATOM 279 OD1 ASN A 21 5.312 4.827 -1.642 1.00 0.00 O ATOM 280 ND2 ASN A 21 5.787 6.891 -2.395 1.00 0.00 N ATOM 0 H ASN A 21 5.481 9.000 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 21 3.422 7.779 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.557 7.001 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.192 5.904 0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.183 6.535 -3.265 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.760 7.896 -2.221 1.00 0.00 H new ATOM 287 N LEU A 22 2.910 7.876 1.724 1.00 0.00 N ATOM 288 CA LEU A 22 1.872 7.791 2.740 1.00 0.00 C ATOM 289 C LEU A 22 1.274 6.395 2.729 1.00 0.00 C ATOM 290 O LEU A 22 0.631 5.996 1.759 1.00 0.00 O ATOM 291 CB LEU A 22 0.789 8.844 2.513 1.00 0.00 C ATOM 292 CG LEU A 22 0.909 10.061 3.423 1.00 0.00 C ATOM 293 CD1 LEU A 22 0.669 9.667 4.874 1.00 0.00 C ATOM 294 CD2 LEU A 22 2.277 10.702 3.261 1.00 0.00 C ATOM 0 H LEU A 22 3.852 8.005 2.093 1.00 0.00 H new ATOM 0 HA LEU A 22 2.317 7.987 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.829 9.174 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.188 8.385 2.664 1.00 0.00 H new ATOM 0 HG LEU A 22 0.149 10.788 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.759 10.548 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.331 9.246 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.408 8.925 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.352 11.570 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.050 9.981 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.412 11.015 2.226 1.00 0.00 H new ATOM 306 N CYS A 23 1.524 5.634 3.790 1.00 0.00 N ATOM 307 CA CYS A 23 1.039 4.266 3.859 1.00 0.00 C ATOM 308 C CYS A 23 1.636 3.478 2.698 1.00 0.00 C ATOM 309 O CYS A 23 0.990 2.613 2.106 1.00 0.00 O ATOM 310 CB CYS A 23 -0.484 4.246 3.789 1.00 0.00 C ATOM 311 SG CYS A 23 -1.305 3.732 5.336 1.00 0.00 S ATOM 0 H CYS A 23 2.055 5.940 4.605 1.00 0.00 H new ATOM 0 HA CYS A 23 1.341 3.812 4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.836 5.242 3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.790 3.572 2.989 1.00 0.00 H new ATOM 316 N TYR A 24 2.881 3.819 2.372 1.00 0.00 N ATOM 317 CA TYR A 24 3.607 3.191 1.265 1.00 0.00 C ATOM 318 C TYR A 24 3.445 1.679 1.282 1.00 0.00 C ATOM 319 O TYR A 24 3.358 1.059 2.343 1.00 0.00 O ATOM 320 CB TYR A 24 5.091 3.589 1.295 1.00 0.00 C ATOM 321 CG TYR A 24 5.921 2.911 2.365 1.00 0.00 C ATOM 322 CD1 TYR A 24 6.207 1.552 2.301 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.438 3.638 3.431 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.981 0.938 3.267 1.00 0.00 C ATOM 325 CE2 TYR A 24 7.211 3.031 4.402 1.00 0.00 C ATOM 326 CZ TYR A 24 7.480 1.681 4.314 1.00 0.00 C ATOM 327 OH TYR A 24 8.252 1.073 5.278 1.00 0.00 O ATOM 0 H TYR A 24 3.415 4.535 2.864 1.00 0.00 H new ATOM 0 HA TYR A 24 3.176 3.555 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.530 3.366 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.158 4.668 1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.817 0.966 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.232 4.696 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.194 -0.119 3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.602 3.610 5.225 1.00 0.00 H new ATOM 0 HH TYR A 24 8.525 1.737 5.945 1.00 0.00 H new ATOM 337 N ARG A 25 3.386 1.095 0.094 1.00 0.00 N ATOM 338 CA ARG A 25 3.210 -0.341 -0.045 1.00 0.00 C ATOM 339 C ARG A 25 4.530 -1.022 -0.390 1.00 0.00 C ATOM 340 O ARG A 25 5.424 -0.411 -0.973 1.00 0.00 O ATOM 341 CB ARG A 25 2.147 -0.632 -1.112 1.00 0.00 C ATOM 342 CG ARG A 25 1.159 0.517 -1.333 1.00 0.00 C ATOM 343 CD ARG A 25 0.275 0.781 -0.115 1.00 0.00 C ATOM 344 NE ARG A 25 0.715 0.082 1.091 1.00 0.00 N ATOM 345 CZ ARG A 25 0.400 -1.180 1.374 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.257 -1.918 0.492 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.766 -1.710 2.531 1.00 0.00 N ATOM 0 H ARG A 25 3.458 1.597 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 25 2.871 -0.747 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.645 -0.856 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.592 -1.525 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.712 1.424 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.528 0.287 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.255 1.853 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.747 0.481 -0.346 1.00 0.00 H new ATOM 0 HE ARG A 25 1.298 0.591 1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.524 -1.520 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.496 -2.885 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.289 -1.151 3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.525 -2.677 2.748 1.00 0.00 H new ATOM 361 N LYS A 26 4.650 -2.289 -0.007 1.00 0.00 N ATOM 362 CA LYS A 26 5.868 -3.060 -0.254 1.00 0.00 C ATOM 363 C LYS A 26 5.609 -4.554 -0.071 1.00 0.00 C ATOM 364 O LYS A 26 5.643 -5.057 1.051 1.00 0.00 O ATOM 365 CB LYS A 26 6.970 -2.606 0.702 1.00 0.00 C ATOM 366 CG LYS A 26 8.302 -3.298 0.470 1.00 0.00 C ATOM 367 CD LYS A 26 9.219 -3.174 1.679 1.00 0.00 C ATOM 368 CE LYS A 26 9.470 -1.720 2.049 1.00 0.00 C ATOM 369 NZ LYS A 26 10.014 -1.584 3.428 1.00 0.00 N ATOM 0 H LYS A 26 3.917 -2.807 0.478 1.00 0.00 H new ATOM 0 HA LYS A 26 6.184 -2.887 -1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.107 -1.530 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.648 -2.790 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.131 -4.352 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.790 -2.865 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.774 -3.694 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.169 -3.665 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.169 -1.280 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.539 -1.159 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.171 -0.578 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.336 -1.981 4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.916 -2.098 3.498 1.00 0.00 H new ATOM 383 N MET A 27 5.336 -5.259 -1.177 1.00 0.00 N ATOM 384 CA MET A 27 5.056 -6.698 -1.127 1.00 0.00 C ATOM 385 C MET A 27 5.948 -7.409 -0.102 1.00 0.00 C ATOM 386 O MET A 27 5.580 -7.532 1.066 1.00 0.00 O ATOM 387 CB MET A 27 5.238 -7.326 -2.514 1.00 0.00 C ATOM 388 CG MET A 27 4.546 -6.557 -3.625 1.00 0.00 C ATOM 389 SD MET A 27 4.351 -7.536 -5.127 1.00 0.00 S ATOM 390 CE MET A 27 5.605 -6.803 -6.173 1.00 0.00 C ATOM 0 H MET A 27 5.303 -4.857 -2.114 1.00 0.00 H new ATOM 0 HA MET A 27 4.020 -6.823 -0.813 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.303 -7.391 -2.737 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.853 -8.346 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.566 -6.229 -3.279 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.120 -5.659 -3.853 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.609 -7.303 -7.142 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.389 -5.744 -6.312 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.582 -6.916 -5.703 1.00 0.00 H new ATOM 400 N TRP A 28 7.122 -7.863 -0.540 1.00 0.00 N ATOM 401 CA TRP A 28 8.062 -8.548 0.343 1.00 0.00 C ATOM 402 C TRP A 28 7.409 -9.739 1.046 1.00 0.00 C ATOM 403 O TRP A 28 6.185 -9.849 1.107 1.00 0.00 O ATOM 404 CB TRP A 28 8.619 -7.569 1.379 1.00 0.00 C ATOM 405 CG TRP A 28 9.759 -8.126 2.180 1.00 0.00 C ATOM 406 CD1 TRP A 28 9.886 -8.112 3.539 1.00 0.00 C ATOM 407 CD2 TRP A 28 10.932 -8.775 1.674 1.00 0.00 C ATOM 408 NE1 TRP A 28 11.064 -8.713 3.910 1.00 0.00 N ATOM 409 CE2 TRP A 28 11.724 -9.129 2.783 1.00 0.00 C ATOM 410 CE3 TRP A 28 11.389 -9.094 0.391 1.00 0.00 C ATOM 411 CZ2 TRP A 28 12.946 -9.783 2.647 1.00 0.00 C ATOM 412 CZ3 TRP A 28 12.602 -9.744 0.259 1.00 0.00 C ATOM 413 CH2 TRP A 28 13.367 -10.083 1.381 1.00 0.00 C ATOM 0 H TRP A 28 7.444 -7.768 -1.503 1.00 0.00 H new ATOM 0 HA TRP A 28 8.878 -8.929 -0.271 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.952 -6.664 0.870 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.818 -7.276 2.058 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.165 -7.690 4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.394 -8.831 4.868 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.805 -8.837 -0.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 13.540 -10.044 3.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.965 -9.994 -0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.310 -10.592 1.244 1.00 0.00 H new ATOM 424 N CYS A 29 8.243 -10.629 1.577 1.00 0.00 N ATOM 425 CA CYS A 29 7.765 -11.816 2.282 1.00 0.00 C ATOM 426 C CYS A 29 8.936 -12.721 2.655 1.00 0.00 C ATOM 427 O CYS A 29 9.346 -13.577 1.871 1.00 0.00 O ATOM 428 CB CYS A 29 6.757 -12.586 1.423 1.00 0.00 C ATOM 429 SG CYS A 29 5.166 -12.901 2.253 1.00 0.00 S ATOM 0 H CYS A 29 9.259 -10.550 1.532 1.00 0.00 H new ATOM 0 HA CYS A 29 7.266 -11.492 3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.573 -12.025 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.198 -13.539 1.130 1.00 0.00 H new ATOM 434 N ASP A 30 9.477 -12.517 3.852 1.00 0.00 N ATOM 435 CA ASP A 30 10.609 -13.307 4.323 1.00 0.00 C ATOM 436 C ASP A 30 10.153 -14.471 5.201 1.00 0.00 C ATOM 437 O ASP A 30 10.718 -14.713 6.268 1.00 0.00 O ATOM 438 CB ASP A 30 11.584 -12.419 5.100 1.00 0.00 C ATOM 439 CG ASP A 30 13.028 -12.835 4.901 1.00 0.00 C ATOM 440 OD1 ASP A 30 13.309 -14.051 4.961 1.00 0.00 O ATOM 441 OD2 ASP A 30 13.878 -11.946 4.685 1.00 0.00 O ATOM 0 H ASP A 30 9.150 -11.812 4.513 1.00 0.00 H new ATOM 0 HA ASP A 30 11.112 -13.721 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.460 -11.384 4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.340 -12.459 6.162 1.00 0.00 H new ATOM 446 N ALA A 31 9.133 -15.194 4.742 1.00 0.00 N ATOM 447 CA ALA A 31 8.603 -16.343 5.480 1.00 0.00 C ATOM 448 C ALA A 31 7.722 -15.911 6.651 1.00 0.00 C ATOM 449 O ALA A 31 6.605 -16.404 6.810 1.00 0.00 O ATOM 450 CB ALA A 31 9.737 -17.233 5.974 1.00 0.00 C ATOM 0 H ALA A 31 8.655 -15.005 3.861 1.00 0.00 H new ATOM 0 HA ALA A 31 7.980 -16.912 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.323 -18.081 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.312 -17.596 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.388 -16.660 6.634 1.00 0.00 H new ATOM 456 N PHE A 32 8.230 -14.993 7.474 1.00 0.00 N ATOM 457 CA PHE A 32 7.493 -14.499 8.637 1.00 0.00 C ATOM 458 C PHE A 32 6.029 -14.222 8.301 1.00 0.00 C ATOM 459 O PHE A 32 5.157 -14.321 9.166 1.00 0.00 O ATOM 460 CB PHE A 32 8.149 -13.228 9.176 1.00 0.00 C ATOM 461 CG PHE A 32 7.590 -12.780 10.497 1.00 0.00 C ATOM 462 CD1 PHE A 32 7.494 -13.665 11.558 1.00 0.00 C ATOM 463 CD2 PHE A 32 7.162 -11.475 10.675 1.00 0.00 C ATOM 464 CE1 PHE A 32 6.980 -13.256 12.774 1.00 0.00 C ATOM 465 CE2 PHE A 32 6.646 -11.060 11.888 1.00 0.00 C ATOM 466 CZ PHE A 32 6.555 -11.953 12.939 1.00 0.00 C ATOM 0 H PHE A 32 9.153 -14.575 7.356 1.00 0.00 H new ATOM 0 HA PHE A 32 7.522 -15.277 9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.220 -13.398 9.283 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.025 -12.427 8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.824 -14.686 11.434 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.232 -10.774 9.857 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.911 -13.955 13.594 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.315 -10.040 12.014 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.152 -11.632 13.888 1.00 0.00 H new ATOM 476 N CYS A 33 5.762 -13.881 7.045 1.00 0.00 N ATOM 477 CA CYS A 33 4.398 -13.597 6.612 1.00 0.00 C ATOM 478 C CYS A 33 3.542 -14.857 6.687 1.00 0.00 C ATOM 479 O CYS A 33 2.754 -15.022 7.619 1.00 0.00 O ATOM 480 CB CYS A 33 4.369 -13.017 5.188 1.00 0.00 C ATOM 481 SG CYS A 33 5.706 -13.593 4.084 1.00 0.00 S ATOM 0 H CYS A 33 6.467 -13.795 6.313 1.00 0.00 H new ATOM 0 HA CYS A 33 3.985 -12.848 7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.411 -13.265 4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.418 -11.930 5.255 1.00 0.00 H new ATOM 486 N SER A 34 3.709 -15.743 5.705 1.00 0.00 N ATOM 487 CA SER A 34 2.959 -17.002 5.648 1.00 0.00 C ATOM 488 C SER A 34 1.532 -16.835 6.169 1.00 0.00 C ATOM 489 O SER A 34 0.983 -17.736 6.803 1.00 0.00 O ATOM 490 CB SER A 34 3.682 -18.082 6.454 1.00 0.00 C ATOM 491 OG SER A 34 4.682 -18.717 5.677 1.00 0.00 O ATOM 0 H SER A 34 4.362 -15.612 4.932 1.00 0.00 H new ATOM 0 HA SER A 34 2.901 -17.304 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.134 -17.637 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.962 -18.823 6.802 1.00 0.00 H new ATOM 0 HG SER A 34 5.529 -18.234 5.776 1.00 0.00 H new ATOM 497 N SER A 35 0.943 -15.673 5.908 1.00 0.00 N ATOM 498 CA SER A 35 -0.413 -15.384 6.361 1.00 0.00 C ATOM 499 C SER A 35 -1.339 -15.074 5.188 1.00 0.00 C ATOM 500 O SER A 35 -2.533 -15.368 5.236 1.00 0.00 O ATOM 501 CB SER A 35 -0.401 -14.208 7.338 1.00 0.00 C ATOM 502 OG SER A 35 -1.621 -14.124 8.053 1.00 0.00 O ATOM 0 H SER A 35 1.383 -14.916 5.385 1.00 0.00 H new ATOM 0 HA SER A 35 -0.793 -16.272 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.427 -14.322 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.232 -13.280 6.792 1.00 0.00 H new ATOM 0 HG SER A 35 -1.586 -13.365 8.672 1.00 0.00 H new ATOM 508 N ARG A 36 -0.783 -14.480 4.135 1.00 0.00 N ATOM 509 CA ARG A 36 -1.558 -14.133 2.949 1.00 0.00 C ATOM 510 C ARG A 36 -2.863 -13.436 3.326 1.00 0.00 C ATOM 511 O ARG A 36 -3.919 -14.064 3.390 1.00 0.00 O ATOM 512 CB ARG A 36 -1.846 -15.391 2.135 1.00 0.00 C ATOM 513 CG ARG A 36 -2.671 -15.139 0.882 1.00 0.00 C ATOM 514 CD ARG A 36 -3.594 -16.307 0.576 1.00 0.00 C ATOM 515 NE ARG A 36 -4.910 -15.862 0.126 1.00 0.00 N ATOM 516 CZ ARG A 36 -5.898 -15.508 0.947 1.00 0.00 C ATOM 517 NH1 ARG A 36 -5.722 -15.541 2.262 1.00 0.00 N ATOM 518 NH2 ARG A 36 -7.064 -15.118 0.451 1.00 0.00 N ATOM 0 H ARG A 36 0.204 -14.229 4.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.972 -13.439 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.900 -15.851 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.371 -16.108 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.261 -14.232 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.006 -14.969 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.142 -16.935 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.705 -16.924 1.468 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.084 -15.820 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.827 -15.839 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.482 -15.269 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.205 -15.089 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.820 -14.847 1.079 1.00 0.00 H new ATOM 532 N GLY A 37 -2.781 -12.133 3.575 1.00 0.00 N ATOM 533 CA GLY A 37 -3.961 -11.372 3.942 1.00 0.00 C ATOM 534 C GLY A 37 -3.766 -9.880 3.766 1.00 0.00 C ATOM 535 O GLY A 37 -4.649 -9.186 3.262 1.00 0.00 O ATOM 0 H GLY A 37 -1.918 -11.591 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.804 -11.699 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.216 -11.582 4.981 1.00 0.00 H new ATOM 539 N LYS A 38 -2.606 -9.383 4.182 1.00 0.00 N ATOM 540 CA LYS A 38 -2.298 -7.963 4.066 1.00 0.00 C ATOM 541 C LYS A 38 -1.418 -7.693 2.850 1.00 0.00 C ATOM 542 O LYS A 38 -0.634 -6.749 2.852 1.00 0.00 O ATOM 543 CB LYS A 38 -1.603 -7.465 5.335 1.00 0.00 C ATOM 544 CG LYS A 38 -0.222 -8.066 5.549 1.00 0.00 C ATOM 545 CD LYS A 38 -0.248 -9.160 6.604 1.00 0.00 C ATOM 546 CE LYS A 38 1.120 -9.798 6.776 1.00 0.00 C ATOM 547 NZ LYS A 38 1.270 -11.022 5.942 1.00 0.00 N ATOM 0 H LYS A 38 -1.864 -9.943 4.602 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.236 -7.423 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.514 -6.380 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.229 -7.697 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.148 -8.475 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.474 -7.283 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.578 -8.742 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.974 -9.923 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.893 -9.078 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.273 -10.052 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.359 -11.854 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.435 -11.131 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.121 -10.937 5.351 1.00 0.00 H new ATOM 561 N VAL A 39 -1.567 -8.534 1.821 1.00 0.00 N ATOM 562 CA VAL A 39 -0.808 -8.432 0.569 1.00 0.00 C ATOM 563 C VAL A 39 0.645 -7.988 0.768 1.00 0.00 C ATOM 564 O VAL A 39 1.572 -8.723 0.427 1.00 0.00 O ATOM 565 CB VAL A 39 -1.497 -7.498 -0.457 1.00 0.00 C ATOM 566 CG1 VAL A 39 -1.606 -6.072 0.064 1.00 0.00 C ATOM 567 CG2 VAL A 39 -0.748 -7.527 -1.782 1.00 0.00 C ATOM 0 H VAL A 39 -2.225 -9.313 1.834 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.791 -9.448 0.173 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.511 -7.867 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.095 -5.448 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.193 -6.064 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.609 -5.682 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.243 -6.866 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.278 -7.192 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.742 -8.544 -2.174 1.00 0.00 H new ATOM 577 N VAL A 40 0.846 -6.787 1.296 1.00 0.00 N ATOM 578 CA VAL A 40 2.185 -6.263 1.506 1.00 0.00 C ATOM 579 C VAL A 40 2.377 -5.765 2.939 1.00 0.00 C ATOM 580 O VAL A 40 1.559 -6.036 3.817 1.00 0.00 O ATOM 581 CB VAL A 40 2.473 -5.113 0.521 1.00 0.00 C ATOM 582 CG1 VAL A 40 2.056 -5.497 -0.891 1.00 0.00 C ATOM 583 CG2 VAL A 40 1.766 -3.838 0.952 1.00 0.00 C ATOM 0 H VAL A 40 0.097 -6.159 1.586 1.00 0.00 H new ATOM 0 HA VAL A 40 2.885 -7.080 1.330 1.00 0.00 H new ATOM 0 HB VAL A 40 3.547 -4.928 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.268 -4.671 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.612 -6.379 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.988 -5.716 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.985 -3.042 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.690 -4.011 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.115 -3.546 1.942 1.00 0.00 H new ATOM 593 N GLU A 41 3.462 -5.026 3.161 1.00 0.00 N ATOM 594 CA GLU A 41 3.762 -4.478 4.480 1.00 0.00 C ATOM 595 C GLU A 41 3.449 -2.985 4.523 1.00 0.00 C ATOM 596 O GLU A 41 3.849 -2.232 3.636 1.00 0.00 O ATOM 597 CB GLU A 41 5.232 -4.716 4.837 1.00 0.00 C ATOM 598 CG GLU A 41 5.457 -5.033 6.306 1.00 0.00 C ATOM 599 CD GLU A 41 5.273 -3.820 7.199 1.00 0.00 C ATOM 600 OE1 GLU A 41 6.148 -2.929 7.178 1.00 0.00 O ATOM 601 OE2 GLU A 41 4.254 -3.762 7.918 1.00 0.00 O ATOM 0 H GLU A 41 4.148 -4.793 2.443 1.00 0.00 H new ATOM 0 HA GLU A 41 3.136 -4.988 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.615 -5.539 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.810 -3.830 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.764 -5.816 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.464 -5.428 6.439 1.00 0.00 H new ATOM 608 N LEU A 42 2.726 -2.565 5.556 1.00 0.00 N ATOM 609 CA LEU A 42 2.353 -1.162 5.710 1.00 0.00 C ATOM 610 C LEU A 42 3.448 -0.374 6.419 1.00 0.00 C ATOM 611 O LEU A 42 3.982 -0.811 7.438 1.00 0.00 O ATOM 612 CB LEU A 42 1.040 -1.046 6.485 1.00 0.00 C ATOM 613 CG LEU A 42 -0.121 -1.869 5.921 1.00 0.00 C ATOM 614 CD1 LEU A 42 -0.076 -3.290 6.460 1.00 0.00 C ATOM 615 CD2 LEU A 42 -1.453 -1.212 6.252 1.00 0.00 C ATOM 0 H LEU A 42 2.386 -3.175 6.299 1.00 0.00 H new ATOM 0 HA LEU A 42 2.221 -0.739 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.216 -1.353 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.743 0.002 6.511 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.020 -1.909 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.908 -3.862 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.864 -3.759 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.152 -3.269 7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.266 -1.812 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.564 -1.140 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.484 -0.213 5.817 1.00 0.00 H new ATOM 627 N GLY A 43 3.773 0.796 5.876 1.00 0.00 N ATOM 628 CA GLY A 43 4.796 1.631 6.474 1.00 0.00 C ATOM 629 C GLY A 43 4.228 2.923 7.018 1.00 0.00 C ATOM 630 O GLY A 43 3.596 2.932 8.074 1.00 0.00 O ATOM 0 H GLY A 43 3.345 1.179 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.286 1.083 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.560 1.856 5.730 1.00 0.00 H new ATOM 634 N CYS A 44 4.440 4.017 6.294 1.00 0.00 N ATOM 635 CA CYS A 44 3.925 5.311 6.722 1.00 0.00 C ATOM 636 C CYS A 44 4.084 6.368 5.637 1.00 0.00 C ATOM 637 O CYS A 44 3.151 7.124 5.378 1.00 0.00 O ATOM 638 CB CYS A 44 4.613 5.768 8.012 1.00 0.00 C ATOM 639 SG CYS A 44 4.126 7.435 8.574 1.00 0.00 S ATOM 0 H CYS A 44 4.960 4.034 5.417 1.00 0.00 H new ATOM 0 HA CYS A 44 2.859 5.189 6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.390 5.051 8.802 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.692 5.749 7.860 1.00 0.00 H new ATOM 644 N ALA A 45 5.259 6.425 5.004 1.00 0.00 N ATOM 645 CA ALA A 45 5.513 7.408 3.944 1.00 0.00 C ATOM 646 C ALA A 45 7.004 7.593 3.686 1.00 0.00 C ATOM 647 O ALA A 45 7.837 6.847 4.200 1.00 0.00 O ATOM 648 CB ALA A 45 4.886 8.757 4.298 1.00 0.00 C ATOM 0 H ALA A 45 6.045 5.807 5.204 1.00 0.00 H new ATOM 0 HA ALA A 45 5.055 7.021 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.086 9.472 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.809 8.638 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.316 9.125 5.230 1.00 0.00 H new ATOM 654 N ALA A 46 7.316 8.613 2.886 1.00 0.00 N ATOM 655 CA ALA A 46 8.690 8.960 2.532 1.00 0.00 C ATOM 656 C ALA A 46 9.161 8.221 1.289 1.00 0.00 C ATOM 657 O ALA A 46 10.245 7.639 1.268 1.00 0.00 O ATOM 658 CB ALA A 46 9.643 8.719 3.697 1.00 0.00 C ATOM 0 H ALA A 46 6.617 9.224 2.464 1.00 0.00 H new ATOM 0 HA ALA A 46 8.697 10.026 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.657 8.987 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.340 9.331 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.614 7.666 3.979 1.00 0.00 H new ATOM 664 N THR A 47 8.347 8.280 0.243 1.00 0.00 N ATOM 665 CA THR A 47 8.678 7.651 -1.029 1.00 0.00 C ATOM 666 C THR A 47 9.204 6.226 -0.842 1.00 0.00 C ATOM 667 O THR A 47 8.965 5.596 0.189 1.00 0.00 O ATOM 668 CB THR A 47 9.706 8.516 -1.767 1.00 0.00 C ATOM 669 OG1 THR A 47 9.754 8.175 -3.141 1.00 0.00 O ATOM 670 CG2 THR A 47 11.113 8.406 -1.214 1.00 0.00 C ATOM 0 H THR A 47 7.447 8.760 0.251 1.00 0.00 H new ATOM 0 HA THR A 47 7.767 7.576 -1.623 1.00 0.00 H new ATOM 0 HB THR A 47 9.365 9.541 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.414 8.739 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.781 9.047 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.119 8.719 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.452 7.372 -1.285 1.00 0.00 H new ATOM 678 N CYS A 48 9.919 5.726 -1.847 1.00 0.00 N ATOM 679 CA CYS A 48 10.477 4.380 -1.799 1.00 0.00 C ATOM 680 C CYS A 48 12.004 4.421 -1.785 1.00 0.00 C ATOM 681 O CYS A 48 12.644 4.370 -2.834 1.00 0.00 O ATOM 682 CB CYS A 48 9.990 3.545 -2.990 1.00 0.00 C ATOM 683 SG CYS A 48 9.634 4.503 -4.502 1.00 0.00 S ATOM 0 H CYS A 48 10.125 6.236 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 48 10.132 3.912 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.745 2.794 -3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.088 3.009 -2.695 1.00 0.00 H new ATOM 688 N PRO A 49 12.609 4.511 -0.587 1.00 0.00 N ATOM 689 CA PRO A 49 14.068 4.553 -0.442 1.00 0.00 C ATOM 690 C PRO A 49 14.720 3.227 -0.815 1.00 0.00 C ATOM 691 O PRO A 49 15.711 3.191 -1.544 1.00 0.00 O ATOM 692 CB PRO A 49 14.273 4.851 1.045 1.00 0.00 C ATOM 693 CG PRO A 49 13.033 4.354 1.705 1.00 0.00 C ATOM 694 CD PRO A 49 11.922 4.572 0.716 1.00 0.00 C ATOM 0 HA PRO A 49 14.523 5.292 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.158 4.345 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.414 5.918 1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.124 3.299 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.841 4.894 2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.152 3.805 0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.432 5.534 0.867 1.00 0.00 H new ATOM 702 N SER A 50 14.150 2.136 -0.312 1.00 0.00 N ATOM 703 CA SER A 50 14.665 0.801 -0.594 1.00 0.00 C ATOM 704 C SER A 50 13.703 0.038 -1.497 1.00 0.00 C ATOM 705 O SER A 50 12.709 0.592 -1.966 1.00 0.00 O ATOM 706 CB SER A 50 14.882 0.030 0.710 1.00 0.00 C ATOM 707 OG SER A 50 13.655 -0.192 1.383 1.00 0.00 O ATOM 0 H SER A 50 13.330 2.151 0.294 1.00 0.00 H new ATOM 0 HA SER A 50 15.621 0.902 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.360 -0.926 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.559 0.587 1.357 1.00 0.00 H new ATOM 0 HG SER A 50 13.831 -0.388 2.327 1.00 0.00 H new ATOM 713 N LYS A 51 13.999 -1.236 -1.739 1.00 0.00 N ATOM 714 CA LYS A 51 13.152 -2.067 -2.589 1.00 0.00 C ATOM 715 C LYS A 51 13.115 -1.526 -4.013 1.00 0.00 C ATOM 716 O LYS A 51 12.684 -0.397 -4.248 1.00 0.00 O ATOM 717 CB LYS A 51 11.735 -2.134 -2.019 1.00 0.00 C ATOM 718 CG LYS A 51 11.693 -2.314 -0.510 1.00 0.00 C ATOM 719 CD LYS A 51 12.428 -3.573 -0.076 1.00 0.00 C ATOM 720 CE LYS A 51 13.242 -3.341 1.188 1.00 0.00 C ATOM 721 NZ LYS A 51 14.700 -3.521 0.950 1.00 0.00 N ATOM 0 H LYS A 51 14.816 -1.714 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 51 13.575 -3.071 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.203 -1.220 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.202 -2.960 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.141 -1.446 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.656 -2.364 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.709 -4.373 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.088 -3.904 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.057 -2.333 1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.913 -4.032 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.237 -3.013 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.935 -4.533 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.948 -3.142 0.014 1.00 0.00 H new ATOM 735 N LYS A 52 13.567 -2.339 -4.961 1.00 0.00 N ATOM 736 CA LYS A 52 13.587 -1.944 -6.365 1.00 0.00 C ATOM 737 C LYS A 52 12.790 -2.933 -7.213 1.00 0.00 C ATOM 738 O LYS A 52 12.288 -3.933 -6.701 1.00 0.00 O ATOM 739 CB LYS A 52 15.030 -1.855 -6.867 1.00 0.00 C ATOM 740 CG LYS A 52 15.470 -0.440 -7.207 1.00 0.00 C ATOM 741 CD LYS A 52 15.378 0.475 -5.997 1.00 0.00 C ATOM 742 CE LYS A 52 16.522 1.476 -5.967 1.00 0.00 C ATOM 743 NZ LYS A 52 17.815 0.830 -5.609 1.00 0.00 N ATOM 0 H LYS A 52 13.925 -3.277 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 52 13.122 -0.962 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.696 -2.261 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.137 -2.482 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.495 -0.455 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.847 -0.047 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.427 1.008 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.392 -0.123 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.612 1.953 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.297 2.263 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.503 1.560 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.668 0.176 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.178 0.302 -6.428 1.00 0.00 H new ATOM 757 N PRO A 53 12.659 -2.669 -8.527 1.00 0.00 N ATOM 758 CA PRO A 53 11.914 -3.542 -9.440 1.00 0.00 C ATOM 759 C PRO A 53 12.187 -5.027 -9.200 1.00 0.00 C ATOM 760 O PRO A 53 11.334 -5.873 -9.471 1.00 0.00 O ATOM 761 CB PRO A 53 12.429 -3.112 -10.811 1.00 0.00 C ATOM 762 CG PRO A 53 12.737 -1.665 -10.648 1.00 0.00 C ATOM 763 CD PRO A 53 13.221 -1.497 -9.230 1.00 0.00 C ATOM 0 HA PRO A 53 10.836 -3.443 -9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.315 -3.678 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.681 -3.275 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.498 -1.346 -11.360 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.853 -1.055 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.310 -1.483 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.869 -0.562 -8.795 1.00 0.00 H new ATOM 771 N TYR A 54 13.375 -5.338 -8.688 1.00 0.00 N ATOM 772 CA TYR A 54 13.750 -6.723 -8.411 1.00 0.00 C ATOM 773 C TYR A 54 12.685 -7.424 -7.571 1.00 0.00 C ATOM 774 O TYR A 54 12.511 -8.640 -7.660 1.00 0.00 O ATOM 775 CB TYR A 54 15.096 -6.773 -7.685 1.00 0.00 C ATOM 776 CG TYR A 54 16.217 -6.089 -8.435 1.00 0.00 C ATOM 777 CD1 TYR A 54 16.391 -6.289 -9.799 1.00 0.00 C ATOM 778 CD2 TYR A 54 17.103 -5.245 -7.778 1.00 0.00 C ATOM 779 CE1 TYR A 54 17.416 -5.667 -10.486 1.00 0.00 C ATOM 780 CE2 TYR A 54 18.130 -4.619 -8.457 1.00 0.00 C ATOM 781 CZ TYR A 54 18.282 -4.833 -9.811 1.00 0.00 C ATOM 782 OH TYR A 54 19.303 -4.211 -10.492 1.00 0.00 O ATOM 0 H TYR A 54 14.093 -4.652 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 54 13.835 -7.244 -9.365 1.00 0.00 H new ATOM 0 HB2 TYR A 54 14.988 -6.306 -6.706 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.368 -7.815 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.714 -6.941 -10.331 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.987 -5.075 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 54 17.538 -5.833 -11.546 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.810 -3.966 -7.931 1.00 0.00 H new ATOM 0 HH TYR A 54 19.821 -3.657 -9.871 1.00 0.00 H new ATOM 792 N GLU A 55 11.978 -6.650 -6.755 1.00 0.00 N ATOM 793 CA GLU A 55 10.932 -7.195 -5.896 1.00 0.00 C ATOM 794 C GLU A 55 10.227 -6.080 -5.127 1.00 0.00 C ATOM 795 O GLU A 55 10.595 -4.912 -5.240 1.00 0.00 O ATOM 796 CB GLU A 55 11.529 -8.208 -4.919 1.00 0.00 C ATOM 797 CG GLU A 55 12.725 -7.674 -4.146 1.00 0.00 C ATOM 798 CD GLU A 55 13.431 -8.751 -3.347 1.00 0.00 C ATOM 799 OE1 GLU A 55 13.567 -9.880 -3.862 1.00 0.00 O ATOM 800 OE2 GLU A 55 13.850 -8.465 -2.205 1.00 0.00 O ATOM 0 H GLU A 55 12.110 -5.642 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 55 10.198 -7.697 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.759 -8.517 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.831 -9.098 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.431 -7.222 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.394 -6.885 -3.471 1.00 0.00 H new ATOM 807 N GLU A 56 9.217 -6.446 -4.344 1.00 0.00 N ATOM 808 CA GLU A 56 8.471 -5.469 -3.559 1.00 0.00 C ATOM 809 C GLU A 56 7.794 -4.448 -4.469 1.00 0.00 C ATOM 810 O GLU A 56 8.279 -4.168 -5.565 1.00 0.00 O ATOM 811 CB GLU A 56 9.411 -4.762 -2.578 1.00 0.00 C ATOM 812 CG GLU A 56 9.649 -5.547 -1.301 1.00 0.00 C ATOM 813 CD GLU A 56 10.765 -6.562 -1.441 1.00 0.00 C ATOM 814 OE1 GLU A 56 10.610 -7.504 -2.246 1.00 0.00 O ATOM 815 OE2 GLU A 56 11.792 -6.417 -0.747 1.00 0.00 O ATOM 0 H GLU A 56 8.897 -7.409 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 56 7.697 -5.992 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.367 -4.581 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.994 -3.787 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.891 -4.856 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.730 -6.060 -1.017 1.00 0.00 H new ATOM 822 N VAL A 57 6.671 -3.893 -4.018 1.00 0.00 N ATOM 823 CA VAL A 57 5.954 -2.907 -4.814 1.00 0.00 C ATOM 824 C VAL A 57 6.573 -1.524 -4.644 1.00 0.00 C ATOM 825 O VAL A 57 6.952 -0.881 -5.623 1.00 0.00 O ATOM 826 CB VAL A 57 4.442 -2.854 -4.482 1.00 0.00 C ATOM 827 CG1 VAL A 57 4.198 -2.484 -3.029 1.00 0.00 C ATOM 828 CG2 VAL A 57 3.729 -1.875 -5.403 1.00 0.00 C ATOM 0 H VAL A 57 6.244 -4.107 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 57 6.047 -3.222 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 57 4.036 -3.853 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.126 -2.457 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.665 -3.226 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.628 -1.503 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.668 -1.850 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.155 -0.880 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.853 -2.193 -6.438 1.00 0.00 H new ATOM 838 N THR A 58 6.690 -1.085 -3.393 1.00 0.00 N ATOM 839 CA THR A 58 7.280 0.213 -3.074 1.00 0.00 C ATOM 840 C THR A 58 6.631 1.347 -3.863 1.00 0.00 C ATOM 841 O THR A 58 6.040 1.137 -4.922 1.00 0.00 O ATOM 842 CB THR A 58 8.788 0.191 -3.334 1.00 0.00 C ATOM 843 OG1 THR A 58 9.222 -1.110 -3.688 1.00 0.00 O ATOM 844 CG2 THR A 58 9.600 0.636 -2.137 1.00 0.00 C ATOM 0 H THR A 58 6.381 -1.614 -2.577 1.00 0.00 H new ATOM 0 HA THR A 58 7.097 0.400 -2.016 1.00 0.00 H new ATOM 0 HB THR A 58 8.952 0.893 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.084 -1.053 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.661 0.599 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.325 1.656 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.400 -0.026 -1.295 1.00 0.00 H new ATOM 852 N CYS A 59 6.761 2.556 -3.336 1.00 0.00 N ATOM 853 CA CYS A 59 6.211 3.742 -3.978 1.00 0.00 C ATOM 854 C CYS A 59 4.689 3.690 -4.041 1.00 0.00 C ATOM 855 O CYS A 59 4.090 2.616 -4.097 1.00 0.00 O ATOM 856 CB CYS A 59 6.785 3.911 -5.390 1.00 0.00 C ATOM 857 SG CYS A 59 8.475 3.254 -5.607 1.00 0.00 S ATOM 0 H CYS A 59 7.247 2.742 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 59 6.498 4.601 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.123 3.415 -6.099 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.786 4.971 -5.643 1.00 0.00 H new ATOM 862 N CYS A 60 4.077 4.868 -4.032 1.00 0.00 N ATOM 863 CA CYS A 60 2.628 4.991 -4.089 1.00 0.00 C ATOM 864 C CYS A 60 2.217 6.105 -5.044 1.00 0.00 C ATOM 865 O CYS A 60 1.280 5.952 -5.829 1.00 0.00 O ATOM 866 CB CYS A 60 2.067 5.279 -2.697 1.00 0.00 C ATOM 867 SG CYS A 60 0.250 5.145 -2.583 1.00 0.00 S ATOM 0 H CYS A 60 4.569 5.760 -3.985 1.00 0.00 H new ATOM 0 HA CYS A 60 2.223 4.047 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.517 4.587 -1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.366 6.283 -2.397 1.00 0.00 H new ATOM 872 N SER A 61 2.918 7.233 -4.965 1.00 0.00 N ATOM 873 CA SER A 61 2.620 8.380 -5.813 1.00 0.00 C ATOM 874 C SER A 61 1.227 8.925 -5.513 1.00 0.00 C ATOM 875 O SER A 61 0.667 9.689 -6.299 1.00 0.00 O ATOM 876 CB SER A 61 2.724 7.993 -7.290 1.00 0.00 C ATOM 877 OG SER A 61 2.720 9.141 -8.121 1.00 0.00 O ATOM 0 H SER A 61 3.696 7.376 -4.322 1.00 0.00 H new ATOM 0 HA SER A 61 3.351 9.160 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.638 7.424 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.891 7.343 -7.558 1.00 0.00 H new ATOM 0 HG SER A 61 2.023 9.760 -7.820 1.00 0.00 H new ATOM 883 N THR A 62 0.673 8.529 -4.368 1.00 0.00 N ATOM 884 CA THR A 62 -0.652 8.973 -3.959 1.00 0.00 C ATOM 885 C THR A 62 -1.027 8.359 -2.611 1.00 0.00 C ATOM 886 O THR A 62 -0.158 7.931 -1.853 1.00 0.00 O ATOM 887 CB THR A 62 -1.690 8.593 -5.022 1.00 0.00 C ATOM 888 OG1 THR A 62 -2.965 9.110 -4.686 1.00 0.00 O ATOM 889 CG2 THR A 62 -1.835 7.098 -5.210 1.00 0.00 C ATOM 0 H THR A 62 1.126 7.899 -3.707 1.00 0.00 H new ATOM 0 HA THR A 62 -0.638 10.058 -3.855 1.00 0.00 H new ATOM 0 HB THR A 62 -1.322 9.025 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.613 8.858 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.585 6.899 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.879 6.676 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.146 6.642 -4.270 1.00 0.00 H new ATOM 897 N ASP A 63 -2.323 8.320 -2.319 1.00 0.00 N ATOM 898 CA ASP A 63 -2.813 7.758 -1.066 1.00 0.00 C ATOM 899 C ASP A 63 -2.624 6.243 -1.045 1.00 0.00 C ATOM 900 O ASP A 63 -2.567 5.628 -2.101 1.00 0.00 O ATOM 901 CB ASP A 63 -4.292 8.103 -0.901 1.00 0.00 C ATOM 902 CG ASP A 63 -4.523 9.213 0.099 1.00 0.00 C ATOM 903 OD1 ASP A 63 -3.850 10.258 -0.015 1.00 0.00 O ATOM 904 OD2 ASP A 63 -5.382 9.045 0.989 1.00 0.00 O ATOM 0 H ASP A 63 -3.055 8.672 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.244 8.185 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.702 8.398 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.835 7.213 -0.582 1.00 0.00 H new ATOM 909 N LYS A 64 -2.533 5.654 0.163 1.00 0.00 N ATOM 910 CA LYS A 64 -2.353 4.193 0.342 1.00 0.00 C ATOM 911 C LYS A 64 -2.076 3.486 -0.942 1.00 0.00 C ATOM 912 O LYS A 64 -0.968 3.022 -1.178 1.00 0.00 O ATOM 913 CB LYS A 64 -3.593 3.566 0.946 1.00 0.00 C ATOM 914 CG LYS A 64 -3.410 3.092 2.377 1.00 0.00 C ATOM 915 CD LYS A 64 -2.594 1.809 2.438 1.00 0.00 C ATOM 916 CE LYS A 64 -2.588 1.214 3.838 1.00 0.00 C ATOM 917 NZ LYS A 64 -2.974 -0.224 3.831 1.00 0.00 N ATOM 0 H LYS A 64 -2.581 6.171 1.041 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.495 4.082 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.406 4.291 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.897 2.720 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.913 3.869 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.385 2.926 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.004 1.083 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.570 2.013 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.595 1.321 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.277 1.772 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.458 -0.458 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.613 -0.408 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.121 -0.812 3.735 1.00 0.00 H new ATOM 931 N CYS A 65 -3.101 3.407 -1.764 1.00 0.00 N ATOM 932 CA CYS A 65 -2.978 2.772 -3.036 1.00 0.00 C ATOM 933 C CYS A 65 -2.514 1.345 -2.899 1.00 0.00 C ATOM 934 O CYS A 65 -1.760 0.843 -3.732 1.00 0.00 O ATOM 935 CB CYS A 65 -2.017 3.594 -3.870 1.00 0.00 C ATOM 936 SG CYS A 65 -0.231 3.398 -3.522 1.00 0.00 S ATOM 0 H CYS A 65 -4.029 3.780 -1.562 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.950 2.726 -3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.186 3.350 -4.919 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.273 4.646 -3.742 1.00 0.00 H new ATOM 941 N ASN A 66 -2.952 0.693 -1.833 1.00 0.00 N ATOM 942 CA ASN A 66 -2.544 -0.675 -1.613 1.00 0.00 C ATOM 943 C ASN A 66 -3.157 -1.663 -2.595 1.00 0.00 C ATOM 944 O ASN A 66 -2.482 -2.613 -2.972 1.00 0.00 O ATOM 945 CB ASN A 66 -2.866 -1.156 -0.204 1.00 0.00 C ATOM 946 CG ASN A 66 -4.355 -1.218 0.072 1.00 0.00 C ATOM 947 OD1 ASN A 66 -4.961 -2.288 0.008 1.00 0.00 O ATOM 948 ND2 ASN A 66 -4.956 -0.079 0.382 1.00 0.00 N ATOM 0 H ASN A 66 -3.575 1.082 -1.125 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.465 -0.654 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.433 -2.145 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.395 -0.489 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.957 -0.067 0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.418 0.786 0.424 1.00 0.00 H new ATOM 955 N PRO A 67 -4.439 -1.485 -3.006 1.00 0.00 N ATOM 956 CA PRO A 67 -5.136 -2.389 -3.916 1.00 0.00 C ATOM 957 C PRO A 67 -4.215 -3.258 -4.770 1.00 0.00 C ATOM 958 O PRO A 67 -4.287 -3.238 -5.999 1.00 0.00 O ATOM 959 CB PRO A 67 -5.926 -1.400 -4.760 1.00 0.00 C ATOM 960 CG PRO A 67 -6.314 -0.318 -3.794 1.00 0.00 C ATOM 961 CD PRO A 67 -5.352 -0.396 -2.620 1.00 0.00 C ATOM 0 HA PRO A 67 -5.734 -3.135 -3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.324 -1.006 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.803 -1.869 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.260 0.661 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.342 -0.453 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.819 0.543 -2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.871 -0.617 -1.688 1.00 0.00 H new ATOM 969 N HIS A 68 -3.346 -4.016 -4.103 1.00 0.00 N ATOM 970 CA HIS A 68 -2.406 -4.889 -4.798 1.00 0.00 C ATOM 971 C HIS A 68 -2.981 -6.291 -5.033 1.00 0.00 C ATOM 972 O HIS A 68 -2.806 -6.858 -6.112 1.00 0.00 O ATOM 973 CB HIS A 68 -1.098 -4.993 -4.013 1.00 0.00 C ATOM 974 CG HIS A 68 -0.022 -5.729 -4.749 1.00 0.00 C ATOM 975 ND1 HIS A 68 0.059 -7.106 -4.788 1.00 0.00 N ATOM 976 CD2 HIS A 68 1.022 -5.273 -5.482 1.00 0.00 C ATOM 977 CE1 HIS A 68 1.104 -7.463 -5.512 1.00 0.00 C ATOM 978 NE2 HIS A 68 1.704 -6.370 -5.945 1.00 0.00 N ATOM 0 H HIS A 68 -3.275 -4.042 -3.086 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.215 -4.441 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.745 -3.990 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.290 -5.497 -3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.271 -4.239 -5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.415 -8.477 -5.715 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.540 -6.345 -6.529 1.00 0.00 H new ATOM 987 N PRO A 69 -3.659 -6.887 -4.030 1.00 0.00 N ATOM 988 CA PRO A 69 -4.223 -8.232 -4.160 1.00 0.00 C ATOM 989 C PRO A 69 -5.544 -8.259 -4.926 1.00 0.00 C ATOM 990 O PRO A 69 -5.993 -9.319 -5.360 1.00 0.00 O ATOM 991 CB PRO A 69 -4.439 -8.654 -2.709 1.00 0.00 C ATOM 992 CG PRO A 69 -4.713 -7.381 -1.988 1.00 0.00 C ATOM 993 CD PRO A 69 -3.913 -6.315 -2.692 1.00 0.00 C ATOM 0 HA PRO A 69 -3.567 -8.891 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.273 -9.349 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.560 -9.157 -2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.777 -7.145 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.422 -7.457 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.466 -5.378 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.983 -6.101 -2.166 1.00 0.00 H new ATOM 1001 N LYS A 70 -6.165 -7.095 -5.093 1.00 0.00 N ATOM 1002 CA LYS A 70 -7.432 -7.010 -5.809 1.00 0.00 C ATOM 1003 C LYS A 70 -7.211 -7.072 -7.321 1.00 0.00 C ATOM 1004 O LYS A 70 -7.308 -8.140 -7.925 1.00 0.00 O ATOM 1005 CB LYS A 70 -8.181 -5.729 -5.426 1.00 0.00 C ATOM 1006 CG LYS A 70 -9.483 -5.534 -6.188 1.00 0.00 C ATOM 1007 CD LYS A 70 -10.257 -4.333 -5.672 1.00 0.00 C ATOM 1008 CE LYS A 70 -11.664 -4.291 -6.247 1.00 0.00 C ATOM 1009 NZ LYS A 70 -12.619 -3.605 -5.334 1.00 0.00 N ATOM 0 H LYS A 70 -5.814 -6.203 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.042 -7.866 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.395 -5.749 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.533 -4.871 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.269 -5.401 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.097 -6.430 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.308 -4.371 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.728 -3.417 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.648 -3.777 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.009 -5.308 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.566 -3.598 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.655 -4.110 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.304 -2.627 -5.174 1.00 0.00 H new ATOM 1023 N GLN A 71 -6.910 -5.925 -7.927 1.00 0.00 N ATOM 1024 CA GLN A 71 -6.674 -5.855 -9.366 1.00 0.00 C ATOM 1025 C GLN A 71 -7.888 -6.361 -10.149 1.00 0.00 C ATOM 1026 O GLN A 71 -8.744 -5.575 -10.554 1.00 0.00 O ATOM 1027 CB GLN A 71 -5.428 -6.661 -9.742 1.00 0.00 C ATOM 1028 CG GLN A 71 -4.134 -5.870 -9.630 1.00 0.00 C ATOM 1029 CD GLN A 71 -3.580 -5.463 -10.982 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -3.730 -4.318 -11.408 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -2.936 -6.403 -11.665 1.00 0.00 N ATOM 0 H GLN A 71 -6.824 -5.031 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.511 -4.810 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.365 -7.538 -9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.535 -7.024 -10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.309 -4.977 -9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.391 -6.468 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.835 -7.339 -11.273 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.542 -6.188 -12.581 1.00 0.00 H new ATOM 1040 N ARG A 72 -7.957 -7.675 -10.357 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.066 -8.278 -11.089 1.00 0.00 C ATOM 1042 C ARG A 72 -9.223 -7.647 -12.470 1.00 0.00 C ATOM 1043 O ARG A 72 -10.063 -6.768 -12.668 1.00 0.00 O ATOM 1044 CB ARG A 72 -10.366 -8.132 -10.297 1.00 0.00 C ATOM 1045 CG ARG A 72 -11.562 -8.792 -10.966 1.00 0.00 C ATOM 1046 CD ARG A 72 -11.695 -10.250 -10.555 1.00 0.00 C ATOM 1047 NE ARG A 72 -10.860 -11.129 -11.371 1.00 0.00 N ATOM 1048 CZ ARG A 72 -11.045 -12.442 -11.472 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -12.033 -13.034 -10.811 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -10.240 -13.168 -12.236 1.00 0.00 N ATOM 0 H ARG A 72 -7.258 -8.341 -10.029 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.844 -9.337 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.229 -8.565 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.578 -7.072 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.472 -8.254 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.457 -8.726 -12.049 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.417 -10.357 -9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.737 -10.557 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.090 -10.711 -11.894 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.655 -12.481 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.170 -14.042 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.479 -12.719 -12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.382 -14.175 -12.314 1.00 0.00 H new ATOM 1064 N PRO A 73 -8.416 -8.089 -13.450 1.00 0.00 N ATOM 1065 CA PRO A 73 -8.472 -7.563 -14.818 1.00 0.00 C ATOM 1066 C PRO A 73 -9.880 -7.615 -15.401 1.00 0.00 C ATOM 1067 O PRO A 73 -10.834 -7.982 -14.715 1.00 0.00 O ATOM 1068 CB PRO A 73 -7.537 -8.492 -15.597 1.00 0.00 C ATOM 1069 CG PRO A 73 -6.596 -9.029 -14.575 1.00 0.00 C ATOM 1070 CD PRO A 73 -7.388 -9.136 -13.300 1.00 0.00 C ATOM 0 HA PRO A 73 -8.184 -6.513 -14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.092 -9.294 -16.084 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.005 -7.952 -16.380 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.207 -10.002 -14.876 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.739 -8.368 -14.448 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.834 -10.124 -13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.764 -8.964 -12.423 1.00 0.00 H new ATOM 1078 N GLY A 74 -10.002 -7.247 -16.672 1.00 0.00 N ATOM 1079 CA GLY A 74 -11.297 -7.259 -17.327 1.00 0.00 C ATOM 1080 C GLY A 74 -11.555 -8.549 -18.080 1.00 0.00 C ATOM 1081 O GLY A 74 -10.765 -9.503 -17.912 1.00 0.00 O ATOM 1082 OXT GLY A 74 -12.547 -8.607 -18.837 1.00 0.00 O ATOM 0 H GLY A 74 -9.227 -6.941 -17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.079 -7.115 -16.581 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.358 -6.419 -18.019 1.00 0.00 H new TER 1086 GLY A 74