USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 18 GLN : amide:sc= -0.242 K(o=-10,f=-8.8) USER MOD Set 1.2: A 38 CYS SG : rot -30:sc= -9.86! USER MOD Single : A 0 LYS NZ :NH3+ 135:sc= -0.624 (180deg=-2.66!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc=-0.00808 (180deg=-0.313) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.127 USER MOD Single : A 9 SER OG : rot 180:sc= 0.132 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 LYS NZ :NH3+ 160:sc= -0.065 (180deg=-0.412) USER MOD Single : A 11 GLN : amide:sc= -0.557 K(o=-0.56,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= -1.03 (180deg=-2.05!) USER MOD Single : A 24 GLN : amide:sc= -2.96 K(o=-3,f=-4.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.03! K(o=-2!,f=-0.96) USER MOD Single : A 28 SER OG : rot 180:sc= -0.284 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.0469 (180deg=-0.653) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 44 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.48) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -117:sc= -0.328 (180deg=-2.68!) USER MOD Single : A 56 SER OG : rot -60:sc= 0.0154 USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.306 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 11.239 9.726 13.651 1.00 0.00 N ATOM 2 CA LYS A -3 11.198 10.516 12.393 1.00 0.00 C ATOM 3 C LYS A -3 12.549 10.498 11.686 1.00 0.00 C ATOM 4 O LYS A -3 13.534 11.034 12.195 1.00 0.00 O ATOM 5 CB LYS A -3 10.796 11.954 12.734 1.00 0.00 C ATOM 6 CG LYS A -3 9.690 12.502 11.848 1.00 0.00 C ATOM 7 CD LYS A -3 8.346 11.881 12.187 1.00 0.00 C ATOM 8 CE LYS A -3 7.820 12.386 13.521 1.00 0.00 C ATOM 9 NZ LYS A -3 7.587 13.856 13.507 1.00 0.00 N ATOM 0 H1 LYS A -3 10.306 9.756 14.110 1.00 0.00 H new ATOM 0 H2 LYS A -3 11.486 8.739 13.434 1.00 0.00 H new ATOM 0 H3 LYS A -3 11.953 10.129 14.291 1.00 0.00 H new ATOM 0 HA LYS A -3 10.469 10.073 11.715 1.00 0.00 H new ATOM 0 HB2 LYS A -3 10.471 11.995 13.774 1.00 0.00 H new ATOM 0 HB3 LYS A -3 11.672 12.597 12.648 1.00 0.00 H new ATOM 0 HG2 LYS A -3 9.632 13.584 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A -3 9.929 12.306 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A -3 7.628 12.113 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A -3 8.443 10.796 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A -3 6.889 11.873 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A -3 8.532 12.139 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 6.933 14.111 14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 8.491 14.352 13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 7.174 14.133 12.594 1.00 0.00 H new ATOM 25 N LYS A -2 12.588 9.880 10.509 1.00 0.00 N ATOM 26 CA LYS A -2 13.819 9.793 9.733 1.00 0.00 C ATOM 27 C LYS A -2 13.672 10.495 8.384 1.00 0.00 C ATOM 28 O LYS A -2 14.437 10.238 7.455 1.00 0.00 O ATOM 29 CB LYS A -2 14.205 8.328 9.517 1.00 0.00 C ATOM 30 CG LYS A -2 13.080 7.480 8.947 1.00 0.00 C ATOM 31 CD LYS A -2 13.455 6.007 8.910 1.00 0.00 C ATOM 32 CE LYS A -2 14.231 5.659 7.650 1.00 0.00 C ATOM 33 NZ LYS A -2 15.639 5.275 7.953 1.00 0.00 N ATOM 0 H LYS A -2 11.782 9.433 10.073 1.00 0.00 H new ATOM 0 HA LYS A -2 14.607 10.294 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A -2 15.061 8.282 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.525 7.901 10.468 1.00 0.00 H new ATOM 0 HG2 LYS A -2 12.182 7.613 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A -2 12.841 7.821 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A -2 14.054 5.761 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A -2 12.551 5.399 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A -2 13.734 4.838 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A -2 14.225 6.513 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 16.134 5.045 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 16.121 6.067 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 15.645 4.444 8.579 1.00 0.00 H new ATOM 47 N GLU A -1 12.685 11.382 8.282 1.00 0.00 N ATOM 48 CA GLU A -1 12.442 12.119 7.045 1.00 0.00 C ATOM 49 C GLU A -1 12.298 11.168 5.859 1.00 0.00 C ATOM 50 O GLU A -1 13.275 10.855 5.179 1.00 0.00 O ATOM 51 CB GLU A -1 13.580 13.108 6.784 1.00 0.00 C ATOM 52 CG GLU A -1 13.314 14.047 5.618 1.00 0.00 C ATOM 53 CD GLU A -1 14.450 14.069 4.614 1.00 0.00 C ATOM 54 OE1 GLU A -1 15.056 13.003 4.378 1.00 0.00 O ATOM 55 OE2 GLU A -1 14.735 15.155 4.065 1.00 0.00 O ATOM 0 H GLU A -1 12.041 11.608 9.040 1.00 0.00 H new ATOM 0 HA GLU A -1 11.508 12.670 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A -1 13.750 13.699 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A -1 14.497 12.551 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A -1 12.396 13.744 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A -1 13.151 15.055 5.999 1.00 0.00 H new ATOM 62 N LYS A 0 11.073 10.713 5.618 1.00 0.00 N ATOM 63 CA LYS A 0 10.802 9.799 4.515 1.00 0.00 C ATOM 64 C LYS A 0 10.424 10.567 3.253 1.00 0.00 C ATOM 65 O LYS A 0 9.645 11.520 3.303 1.00 0.00 O ATOM 66 CB LYS A 0 9.679 8.831 4.893 1.00 0.00 C ATOM 67 CG LYS A 0 9.842 8.221 6.276 1.00 0.00 C ATOM 68 CD LYS A 0 8.796 7.152 6.541 1.00 0.00 C ATOM 69 CE LYS A 0 7.472 7.762 6.971 1.00 0.00 C ATOM 70 NZ LYS A 0 6.711 8.310 5.815 1.00 0.00 N ATOM 0 H LYS A 0 10.253 10.962 6.171 1.00 0.00 H new ATOM 0 HA LYS A 0 11.710 9.231 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 0 8.726 9.358 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 0 9.637 8.030 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 0 10.838 7.788 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 0 9.764 9.003 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 0 8.648 6.556 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 0 9.155 6.475 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 0 6.871 7.006 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 0 7.656 8.557 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 5.714 8.021 5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 6.772 9.348 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 7.114 7.944 4.929 1.00 0.00 H new ATOM 84 N SER A 1 10.980 10.148 2.121 1.00 0.00 N ATOM 85 CA SER A 1 10.702 10.799 0.845 1.00 0.00 C ATOM 86 C SER A 1 10.477 9.767 -0.258 1.00 0.00 C ATOM 87 O SER A 1 11.258 9.678 -1.206 1.00 0.00 O ATOM 88 CB SER A 1 11.853 11.731 0.464 1.00 0.00 C ATOM 89 OG SER A 1 11.408 12.771 -0.390 1.00 0.00 O ATOM 0 H SER A 1 11.626 9.361 2.061 1.00 0.00 H new ATOM 0 HA SER A 1 9.790 11.386 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.291 12.159 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.638 11.160 -0.032 1.00 0.00 H new ATOM 0 HG SER A 1 12.163 13.353 -0.617 1.00 0.00 H new ATOM 95 N PRO A 2 9.400 8.970 -0.149 1.00 0.00 N ATOM 96 CA PRO A 2 9.074 7.942 -1.144 1.00 0.00 C ATOM 97 C PRO A 2 8.972 8.516 -2.553 1.00 0.00 C ATOM 98 O PRO A 2 8.076 9.307 -2.848 1.00 0.00 O ATOM 99 CB PRO A 2 7.713 7.411 -0.684 1.00 0.00 C ATOM 100 CG PRO A 2 7.650 7.728 0.770 1.00 0.00 C ATOM 101 CD PRO A 2 8.415 9.009 0.947 1.00 0.00 C ATOM 0 HA PRO A 2 9.845 7.174 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.898 7.888 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.628 6.338 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.617 7.841 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.089 6.926 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.764 9.880 0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.900 9.057 1.922 1.00 0.00 H new ATOM 109 N LYS A 3 9.895 8.115 -3.420 1.00 0.00 N ATOM 110 CA LYS A 3 9.907 8.592 -4.799 1.00 0.00 C ATOM 111 C LYS A 3 9.089 7.672 -5.700 1.00 0.00 C ATOM 112 O LYS A 3 7.981 8.017 -6.112 1.00 0.00 O ATOM 113 CB LYS A 3 11.345 8.692 -5.314 1.00 0.00 C ATOM 114 CG LYS A 3 11.707 10.073 -5.836 1.00 0.00 C ATOM 115 CD LYS A 3 13.084 10.510 -5.360 1.00 0.00 C ATOM 116 CE LYS A 3 13.885 11.153 -6.482 1.00 0.00 C ATOM 117 NZ LYS A 3 15.332 10.811 -6.397 1.00 0.00 N ATOM 0 H LYS A 3 10.644 7.461 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 3 9.454 9.583 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.030 8.425 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.489 7.962 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.683 10.068 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.961 10.795 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.978 11.216 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.627 9.648 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.490 10.825 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.765 12.236 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.843 11.268 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.715 11.146 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.449 9.780 -6.463 1.00 0.00 H new ATOM 131 N GLY A 4 9.639 6.501 -6.003 1.00 0.00 N ATOM 132 CA GLY A 4 8.943 5.553 -6.853 1.00 0.00 C ATOM 133 C GLY A 4 9.844 4.434 -7.338 1.00 0.00 C ATOM 134 O GLY A 4 11.050 4.450 -7.095 1.00 0.00 O ATOM 0 H GLY A 4 10.554 6.192 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.104 5.126 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.527 6.078 -7.713 1.00 0.00 H new ATOM 138 N LYS A 5 9.255 3.459 -8.025 1.00 0.00 N ATOM 139 CA LYS A 5 10.012 2.324 -8.546 1.00 0.00 C ATOM 140 C LYS A 5 10.644 1.528 -7.408 1.00 0.00 C ATOM 141 O LYS A 5 11.868 1.447 -7.298 1.00 0.00 O ATOM 142 CB LYS A 5 11.098 2.801 -9.516 1.00 0.00 C ATOM 143 CG LYS A 5 10.693 4.007 -10.350 1.00 0.00 C ATOM 144 CD LYS A 5 9.392 3.759 -11.097 1.00 0.00 C ATOM 145 CE LYS A 5 9.180 4.781 -12.203 1.00 0.00 C ATOM 146 NZ LYS A 5 9.537 6.158 -11.765 1.00 0.00 N ATOM 0 H LYS A 5 8.257 3.432 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 5 9.320 1.675 -9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.995 3.049 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.360 1.981 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.582 4.877 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.484 4.239 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.402 2.756 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.557 3.799 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.783 4.508 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.138 4.760 -12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.148 6.848 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.141 6.335 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.572 6.254 -11.730 1.00 0.00 H new ATOM 160 N SER A 6 9.803 0.942 -6.561 1.00 0.00 N ATOM 161 CA SER A 6 10.284 0.155 -5.431 1.00 0.00 C ATOM 162 C SER A 6 11.184 0.998 -4.532 1.00 0.00 C ATOM 163 O SER A 6 12.258 0.558 -4.122 1.00 0.00 O ATOM 164 CB SER A 6 11.042 -1.078 -5.925 1.00 0.00 C ATOM 165 OG SER A 6 11.007 -2.119 -4.963 1.00 0.00 O ATOM 0 H SER A 6 8.787 0.997 -6.636 1.00 0.00 H new ATOM 0 HA SER A 6 9.421 -0.171 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.604 -1.428 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.077 -0.811 -6.139 1.00 0.00 H new ATOM 0 HG SER A 6 11.497 -2.896 -5.304 1.00 0.00 H new ATOM 171 N SER A 7 10.738 2.213 -4.235 1.00 0.00 N ATOM 172 CA SER A 7 11.500 3.126 -3.389 1.00 0.00 C ATOM 173 C SER A 7 11.827 2.489 -2.042 1.00 0.00 C ATOM 174 O SER A 7 12.820 2.842 -1.404 1.00 0.00 O ATOM 175 CB SER A 7 10.722 4.428 -3.175 1.00 0.00 C ATOM 176 OG SER A 7 9.411 4.336 -3.708 1.00 0.00 O ATOM 0 H SER A 7 9.851 2.590 -4.568 1.00 0.00 H new ATOM 0 HA SER A 7 12.438 3.348 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.669 4.652 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.253 5.254 -3.649 1.00 0.00 H new ATOM 0 HG SER A 7 8.936 5.180 -3.556 1.00 0.00 H new ATOM 182 N ILE A 8 10.990 1.550 -1.611 1.00 0.00 N ATOM 183 CA ILE A 8 11.201 0.874 -0.338 1.00 0.00 C ATOM 184 C ILE A 8 11.900 -0.469 -0.533 1.00 0.00 C ATOM 185 O ILE A 8 12.012 -0.969 -1.652 1.00 0.00 O ATOM 186 CB ILE A 8 9.866 0.667 0.424 1.00 0.00 C ATOM 187 CG1 ILE A 8 10.084 0.843 1.927 1.00 0.00 C ATOM 188 CG2 ILE A 8 9.258 -0.702 0.129 1.00 0.00 C ATOM 189 CD1 ILE A 8 8.810 1.124 2.695 1.00 0.00 C ATOM 0 H ILE A 8 10.163 1.242 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 8 11.844 1.519 0.261 1.00 0.00 H new ATOM 0 HB ILE A 8 9.161 1.422 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.548 -0.059 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.785 1.661 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.324 -0.812 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.062 -0.790 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.954 -1.483 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.041 1.237 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.356 2.042 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.115 0.295 2.562 1.00 0.00 H new ATOM 201 N SER A 9 12.355 -1.049 0.570 1.00 0.00 N ATOM 202 CA SER A 9 13.031 -2.340 0.540 1.00 0.00 C ATOM 203 C SER A 9 12.064 -3.411 0.035 1.00 0.00 C ATOM 204 O SER A 9 10.937 -3.089 -0.339 1.00 0.00 O ATOM 205 CB SER A 9 13.536 -2.682 1.947 1.00 0.00 C ATOM 206 OG SER A 9 13.358 -1.592 2.835 1.00 0.00 O ATOM 0 H SER A 9 12.268 -0.643 1.502 1.00 0.00 H new ATOM 0 HA SER A 9 13.885 -2.298 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.002 -3.554 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.592 -2.949 1.902 1.00 0.00 H new ATOM 0 HG SER A 9 13.687 -1.838 3.725 1.00 0.00 H new ATOM 212 N PRO A 10 12.458 -4.704 0.026 1.00 0.00 N ATOM 213 CA PRO A 10 11.566 -5.774 -0.427 1.00 0.00 C ATOM 214 C PRO A 10 10.211 -5.687 0.264 1.00 0.00 C ATOM 215 O PRO A 10 9.205 -6.181 -0.243 1.00 0.00 O ATOM 216 CB PRO A 10 12.298 -7.066 -0.033 1.00 0.00 C ATOM 217 CG PRO A 10 13.394 -6.634 0.882 1.00 0.00 C ATOM 218 CD PRO A 10 13.754 -5.238 0.463 1.00 0.00 C ATOM 0 HA PRO A 10 11.360 -5.718 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.624 -7.764 0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.696 -7.576 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.067 -6.658 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.254 -7.299 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.176 -4.661 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.490 -5.231 -0.341 1.00 0.00 H new ATOM 226 N GLN A 11 10.198 -5.031 1.425 1.00 0.00 N ATOM 227 CA GLN A 11 8.979 -4.844 2.198 1.00 0.00 C ATOM 228 C GLN A 11 7.844 -4.351 1.313 1.00 0.00 C ATOM 229 O GLN A 11 6.680 -4.576 1.613 1.00 0.00 O ATOM 230 CB GLN A 11 9.224 -3.843 3.326 1.00 0.00 C ATOM 231 CG GLN A 11 10.106 -4.380 4.441 1.00 0.00 C ATOM 232 CD GLN A 11 10.325 -3.367 5.548 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.285 -3.704 6.731 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.558 -2.116 5.167 1.00 0.00 N ATOM 0 H GLN A 11 11.028 -4.618 1.850 1.00 0.00 H new ATOM 0 HA GLN A 11 8.694 -5.807 2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.685 -2.947 2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.265 -3.542 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.651 -5.278 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.070 -4.675 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.582 -1.881 4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.713 -1.390 5.867 1.00 0.00 H new ATOM 243 N ALA A 12 8.176 -3.685 0.212 1.00 0.00 N ATOM 244 CA ALA A 12 7.149 -3.192 -0.697 1.00 0.00 C ATOM 245 C ALA A 12 6.105 -4.280 -0.945 1.00 0.00 C ATOM 246 O ALA A 12 4.911 -4.089 -0.701 1.00 0.00 O ATOM 247 CB ALA A 12 7.773 -2.740 -2.009 1.00 0.00 C ATOM 0 H ALA A 12 9.134 -3.477 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 12 6.657 -2.333 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.992 -2.375 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.488 -1.941 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.286 -3.580 -2.476 1.00 0.00 H new ATOM 253 N ARG A 13 6.578 -5.433 -1.405 1.00 0.00 N ATOM 254 CA ARG A 13 5.712 -6.573 -1.670 1.00 0.00 C ATOM 255 C ARG A 13 5.400 -7.334 -0.382 1.00 0.00 C ATOM 256 O ARG A 13 4.299 -7.851 -0.208 1.00 0.00 O ATOM 257 CB ARG A 13 6.373 -7.514 -2.681 1.00 0.00 C ATOM 258 CG ARG A 13 7.559 -8.282 -2.114 1.00 0.00 C ATOM 259 CD ARG A 13 8.596 -8.587 -3.184 1.00 0.00 C ATOM 260 NE ARG A 13 8.927 -10.010 -3.234 1.00 0.00 N ATOM 261 CZ ARG A 13 8.185 -10.922 -3.859 1.00 0.00 C ATOM 262 NH1 ARG A 13 7.073 -10.566 -4.489 1.00 0.00 N ATOM 263 NH2 ARG A 13 8.558 -12.195 -3.853 1.00 0.00 N ATOM 0 H ARG A 13 7.564 -5.602 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 13 4.776 -6.198 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.630 -8.225 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.705 -6.934 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.020 -7.701 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.210 -9.214 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.219 -8.268 -4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.500 -8.011 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 13 9.776 -10.322 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.782 -9.588 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.509 -11.270 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.412 -12.474 -3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.991 -12.895 -4.331 1.00 0.00 H new ATOM 277 N ALA A 14 6.384 -7.401 0.515 1.00 0.00 N ATOM 278 CA ALA A 14 6.221 -8.103 1.785 1.00 0.00 C ATOM 279 C ALA A 14 5.198 -7.405 2.675 1.00 0.00 C ATOM 280 O ALA A 14 4.232 -8.018 3.129 1.00 0.00 O ATOM 281 CB ALA A 14 7.560 -8.207 2.498 1.00 0.00 C ATOM 0 H ALA A 14 7.302 -6.977 0.384 1.00 0.00 H new ATOM 0 HA ALA A 14 5.850 -9.106 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.429 -8.732 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.263 -8.757 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.949 -7.207 2.689 1.00 0.00 H new ATOM 287 N PHE A 15 5.415 -6.118 2.915 1.00 0.00 N ATOM 288 CA PHE A 15 4.518 -5.325 3.737 1.00 0.00 C ATOM 289 C PHE A 15 3.094 -5.450 3.221 1.00 0.00 C ATOM 290 O PHE A 15 2.173 -5.732 3.982 1.00 0.00 O ATOM 291 CB PHE A 15 4.986 -3.854 3.782 1.00 0.00 C ATOM 292 CG PHE A 15 4.329 -2.930 2.783 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.975 -2.638 2.862 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.075 -2.342 1.770 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.380 -1.787 1.951 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.483 -1.490 0.858 1.00 0.00 C ATOM 297 CZ PHE A 15 3.134 -1.212 0.948 1.00 0.00 C ATOM 0 H PHE A 15 6.213 -5.600 2.547 1.00 0.00 H new ATOM 0 HA PHE A 15 4.537 -5.703 4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.806 -3.464 4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.064 -3.829 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.379 -3.082 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.131 -2.554 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.324 -1.571 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.076 -1.041 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.670 -0.546 0.235 1.00 0.00 H new ATOM 307 N LEU A 16 2.922 -5.263 1.918 1.00 0.00 N ATOM 308 CA LEU A 16 1.605 -5.382 1.313 1.00 0.00 C ATOM 309 C LEU A 16 1.176 -6.841 1.294 1.00 0.00 C ATOM 310 O LEU A 16 -0.006 -7.153 1.439 1.00 0.00 O ATOM 311 CB LEU A 16 1.603 -4.814 -0.107 1.00 0.00 C ATOM 312 CG LEU A 16 0.345 -5.125 -0.926 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.509 -3.878 -1.095 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.722 -5.709 -2.280 1.00 0.00 C ATOM 0 H LEU A 16 3.672 -5.030 1.267 1.00 0.00 H new ATOM 0 HA LEU A 16 0.897 -4.807 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.723 -3.732 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.471 -5.203 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.243 -5.866 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.397 -4.121 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.810 -3.508 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.067 -3.110 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.183 -5.924 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.333 -4.992 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.286 -6.630 -2.135 1.00 0.00 H new ATOM 326 N GLU A 17 2.147 -7.735 1.122 1.00 0.00 N ATOM 327 CA GLU A 17 1.864 -9.166 1.094 1.00 0.00 C ATOM 328 C GLU A 17 1.011 -9.555 2.290 1.00 0.00 C ATOM 329 O GLU A 17 -0.063 -10.127 2.133 1.00 0.00 O ATOM 330 CB GLU A 17 3.165 -9.973 1.084 1.00 0.00 C ATOM 331 CG GLU A 17 3.521 -10.531 -0.285 1.00 0.00 C ATOM 332 CD GLU A 17 2.635 -11.693 -0.692 1.00 0.00 C ATOM 333 OE1 GLU A 17 2.886 -12.824 -0.225 1.00 0.00 O ATOM 334 OE2 GLU A 17 1.690 -11.470 -1.479 1.00 0.00 O ATOM 0 H GLU A 17 3.131 -7.495 1.001 1.00 0.00 H new ATOM 0 HA GLU A 17 1.313 -9.392 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.980 -9.338 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.078 -10.797 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.438 -9.738 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.561 -10.857 -0.281 1.00 0.00 H new ATOM 341 N GLN A 18 1.492 -9.220 3.480 1.00 0.00 N ATOM 342 CA GLN A 18 0.766 -9.516 4.708 1.00 0.00 C ATOM 343 C GLN A 18 -0.478 -8.639 4.815 1.00 0.00 C ATOM 344 O GLN A 18 -1.510 -9.076 5.324 1.00 0.00 O ATOM 345 CB GLN A 18 1.663 -9.331 5.938 1.00 0.00 C ATOM 346 CG GLN A 18 2.687 -8.212 5.809 1.00 0.00 C ATOM 347 CD GLN A 18 2.739 -7.322 7.035 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.818 -7.805 8.165 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.696 -6.012 6.819 1.00 0.00 N ATOM 0 H GLN A 18 2.382 -8.743 3.621 1.00 0.00 H new ATOM 0 HA GLN A 18 0.455 -10.560 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.033 -9.132 6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.188 -10.266 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.672 -8.645 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.449 -7.606 4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.631 -5.654 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.728 -5.364 7.606 1.00 0.00 H new ATOM 358 N VAL A 19 -0.387 -7.406 4.313 1.00 0.00 N ATOM 359 CA VAL A 19 -1.528 -6.493 4.342 1.00 0.00 C ATOM 360 C VAL A 19 -2.698 -7.100 3.576 1.00 0.00 C ATOM 361 O VAL A 19 -3.734 -7.426 4.157 1.00 0.00 O ATOM 362 CB VAL A 19 -1.178 -5.115 3.733 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.400 -4.207 3.696 1.00 0.00 C ATOM 364 CG2 VAL A 19 -0.054 -4.456 4.515 1.00 0.00 C ATOM 0 H VAL A 19 0.456 -7.021 3.886 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.801 -6.343 5.386 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.843 -5.276 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.125 -3.245 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.178 -4.669 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.772 -4.056 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.178 -3.488 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.365 -4.316 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.831 -5.091 4.484 1.00 0.00 H new ATOM 374 N PHE A 20 -2.517 -7.263 2.269 1.00 0.00 N ATOM 375 CA PHE A 20 -3.547 -7.849 1.420 1.00 0.00 C ATOM 376 C PHE A 20 -3.872 -9.274 1.867 1.00 0.00 C ATOM 377 O PHE A 20 -4.925 -9.815 1.526 1.00 0.00 O ATOM 378 CB PHE A 20 -3.087 -7.844 -0.038 1.00 0.00 C ATOM 379 CG PHE A 20 -4.054 -8.498 -0.984 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.061 -9.875 -1.145 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.955 -7.739 -1.714 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.946 -10.482 -2.015 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.842 -8.339 -2.586 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.838 -9.712 -2.737 1.00 0.00 C ATOM 0 H PHE A 20 -1.665 -6.997 1.775 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.452 -7.249 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.925 -6.813 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.126 -8.353 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.366 -10.481 -0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.964 -6.665 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.941 -11.556 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.538 -7.735 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.531 -10.183 -3.418 1.00 0.00 H new ATOM 394 N ARG A 21 -2.969 -9.877 2.634 1.00 0.00 N ATOM 395 CA ARG A 21 -3.173 -11.233 3.127 1.00 0.00 C ATOM 396 C ARG A 21 -4.236 -11.246 4.217 1.00 0.00 C ATOM 397 O ARG A 21 -5.093 -12.128 4.256 1.00 0.00 O ATOM 398 CB ARG A 21 -1.865 -11.807 3.675 1.00 0.00 C ATOM 399 CG ARG A 21 -1.598 -13.238 3.242 1.00 0.00 C ATOM 400 CD ARG A 21 -0.800 -13.285 1.949 1.00 0.00 C ATOM 401 NE ARG A 21 -0.473 -14.654 1.557 1.00 0.00 N ATOM 402 CZ ARG A 21 -1.344 -15.495 1.003 1.00 0.00 C ATOM 403 NH1 ARG A 21 -2.595 -15.114 0.779 1.00 0.00 N ATOM 404 NH2 ARG A 21 -0.961 -16.721 0.671 1.00 0.00 N ATOM 0 H ARG A 21 -2.091 -9.448 2.927 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.509 -11.852 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.037 -11.177 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.888 -11.764 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.053 -13.762 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.544 -13.762 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.371 -12.807 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.120 -12.713 2.070 1.00 0.00 H new ATOM 0 HE ARG A 21 0.478 -14.985 1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.894 -14.172 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.257 -15.763 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.000 -17.019 0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.627 -17.366 0.247 1.00 0.00 H new ATOM 418 N ARG A 22 -4.175 -10.254 5.098 1.00 0.00 N ATOM 419 CA ARG A 22 -5.133 -10.141 6.190 1.00 0.00 C ATOM 420 C ARG A 22 -6.547 -9.977 5.645 1.00 0.00 C ATOM 421 O ARG A 22 -7.497 -10.574 6.151 1.00 0.00 O ATOM 422 CB ARG A 22 -4.774 -8.954 7.082 1.00 0.00 C ATOM 423 CG ARG A 22 -3.568 -9.202 7.971 1.00 0.00 C ATOM 424 CD ARG A 22 -3.748 -10.450 8.821 1.00 0.00 C ATOM 425 NE ARG A 22 -2.861 -10.457 9.983 1.00 0.00 N ATOM 426 CZ ARG A 22 -3.102 -9.778 11.103 1.00 0.00 C ATOM 427 NH1 ARG A 22 -4.196 -9.037 11.217 1.00 0.00 N ATOM 428 NH2 ARG A 22 -2.244 -9.842 12.113 1.00 0.00 N ATOM 0 H ARG A 22 -3.471 -9.516 5.077 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.093 -11.055 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.579 -8.085 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.632 -8.709 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.676 -9.307 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.409 -8.340 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.783 -10.514 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.555 -11.333 8.213 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.008 -11.014 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.859 -8.985 10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.374 -8.520 12.078 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.401 -10.411 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.427 -9.323 12.971 1.00 0.00 H new ATOM 442 N LYS A 23 -6.670 -9.169 4.600 1.00 0.00 N ATOM 443 CA LYS A 23 -7.957 -8.919 3.962 1.00 0.00 C ATOM 444 C LYS A 23 -7.757 -8.178 2.641 1.00 0.00 C ATOM 445 O LYS A 23 -6.686 -8.255 2.041 1.00 0.00 O ATOM 446 CB LYS A 23 -8.879 -8.127 4.894 1.00 0.00 C ATOM 447 CG LYS A 23 -8.450 -6.683 5.096 1.00 0.00 C ATOM 448 CD LYS A 23 -9.313 -5.945 6.119 1.00 0.00 C ATOM 449 CE LYS A 23 -9.946 -6.880 7.141 1.00 0.00 C ATOM 450 NZ LYS A 23 -8.922 -7.609 7.941 1.00 0.00 N ATOM 0 H LYS A 23 -5.888 -8.672 4.173 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.432 -9.877 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.891 -8.143 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.916 -8.625 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.410 -6.660 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.497 -6.158 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.702 -5.207 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.099 -5.398 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.587 -6.305 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.584 -7.599 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.027 -8.633 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.971 -7.311 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.051 -7.393 8.950 1.00 0.00 H new ATOM 464 N GLN A 24 -8.783 -7.471 2.178 1.00 0.00 N ATOM 465 CA GLN A 24 -8.683 -6.743 0.917 1.00 0.00 C ATOM 466 C GLN A 24 -9.242 -5.334 1.038 1.00 0.00 C ATOM 467 O GLN A 24 -8.599 -4.361 0.644 1.00 0.00 O ATOM 468 CB GLN A 24 -9.431 -7.488 -0.196 1.00 0.00 C ATOM 469 CG GLN A 24 -9.363 -9.005 -0.093 1.00 0.00 C ATOM 470 CD GLN A 24 -8.643 -9.641 -1.265 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.639 -9.103 -2.373 1.00 0.00 O ATOM 472 NE2 GLN A 24 -8.029 -10.795 -1.026 1.00 0.00 N ATOM 0 H GLN A 24 -9.683 -7.387 2.650 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.624 -6.677 0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.477 -7.182 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.022 -7.183 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.855 -9.280 0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.375 -9.406 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.058 -11.204 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.528 -11.271 -1.776 1.00 0.00 H new ATOM 481 N SER A 25 -10.455 -5.235 1.558 1.00 0.00 N ATOM 482 CA SER A 25 -11.121 -3.946 1.700 1.00 0.00 C ATOM 483 C SER A 25 -10.713 -3.214 2.978 1.00 0.00 C ATOM 484 O SER A 25 -11.463 -3.187 3.953 1.00 0.00 O ATOM 485 CB SER A 25 -12.637 -4.137 1.675 1.00 0.00 C ATOM 486 OG SER A 25 -13.308 -2.889 1.632 1.00 0.00 O ATOM 0 H SER A 25 -11.000 -6.031 1.889 1.00 0.00 H new ATOM 0 HA SER A 25 -10.808 -3.328 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.917 -4.734 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.951 -4.692 2.559 1.00 0.00 H new ATOM 0 HG SER A 25 -14.276 -3.039 1.615 1.00 0.00 H new ATOM 492 N LEU A 26 -9.536 -2.594 2.956 1.00 0.00 N ATOM 493 CA LEU A 26 -9.059 -1.833 4.108 1.00 0.00 C ATOM 494 C LEU A 26 -9.795 -0.499 4.181 1.00 0.00 C ATOM 495 O LEU A 26 -9.942 0.189 3.171 1.00 0.00 O ATOM 496 CB LEU A 26 -7.545 -1.581 4.020 1.00 0.00 C ATOM 497 CG LEU A 26 -6.667 -2.808 3.729 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.323 -2.684 4.436 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.366 -4.092 4.146 1.00 0.00 C ATOM 0 H LEU A 26 -8.899 -2.603 2.160 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.257 -2.416 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.366 -0.840 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.216 -1.140 4.961 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.494 -2.849 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.715 -3.562 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.808 -1.790 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.483 -2.611 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.722 -4.944 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.578 -4.060 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.300 -4.193 3.594 1.00 0.00 H new ATOM 511 N ASN A 27 -10.256 -0.129 5.371 1.00 0.00 N ATOM 512 CA ASN A 27 -10.973 1.132 5.542 1.00 0.00 C ATOM 513 C ASN A 27 -10.035 2.209 6.073 1.00 0.00 C ATOM 514 O ASN A 27 -8.863 1.949 6.326 1.00 0.00 O ATOM 515 CB ASN A 27 -12.177 0.972 6.486 1.00 0.00 C ATOM 516 CG ASN A 27 -12.358 -0.445 6.997 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.933 -1.295 6.317 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.867 -0.706 8.203 1.00 0.00 N ATOM 0 H ASN A 27 -10.148 -0.677 6.224 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.348 1.434 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.055 1.644 7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.082 1.280 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.959 -1.641 8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.398 0.029 8.732 1.00 0.00 H new ATOM 525 N SER A 28 -10.560 3.417 6.250 1.00 0.00 N ATOM 526 CA SER A 28 -9.763 4.528 6.762 1.00 0.00 C ATOM 527 C SER A 28 -9.043 4.120 8.042 1.00 0.00 C ATOM 528 O SER A 28 -7.984 4.651 8.375 1.00 0.00 O ATOM 529 CB SER A 28 -10.651 5.744 7.026 1.00 0.00 C ATOM 530 OG SER A 28 -10.831 6.510 5.846 1.00 0.00 O ATOM 0 H SER A 28 -11.532 3.652 6.047 1.00 0.00 H new ATOM 0 HA SER A 28 -9.020 4.793 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.620 5.416 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.202 6.365 7.801 1.00 0.00 H new ATOM 0 HG SER A 28 -11.404 7.281 6.041 1.00 0.00 H new ATOM 536 N LYS A 29 -9.634 3.165 8.751 1.00 0.00 N ATOM 537 CA LYS A 29 -9.075 2.663 9.992 1.00 0.00 C ATOM 538 C LYS A 29 -7.933 1.696 9.719 1.00 0.00 C ATOM 539 O LYS A 29 -6.840 1.840 10.262 1.00 0.00 O ATOM 540 CB LYS A 29 -10.168 1.958 10.785 1.00 0.00 C ATOM 541 CG LYS A 29 -11.374 2.838 11.073 1.00 0.00 C ATOM 542 CD LYS A 29 -12.410 2.749 9.964 1.00 0.00 C ATOM 543 CE LYS A 29 -12.589 4.083 9.257 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.506 4.988 10.004 1.00 0.00 N ATOM 0 H LYS A 29 -10.511 2.721 8.479 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.682 3.502 10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.495 1.077 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.751 1.606 11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.826 2.539 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.051 3.873 11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.106 1.992 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.364 2.427 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.618 4.565 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.983 3.913 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.602 5.887 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.440 4.539 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.118 5.171 10.951 1.00 0.00 H new ATOM 558 N GLU A 30 -8.194 0.714 8.866 1.00 0.00 N ATOM 559 CA GLU A 30 -7.191 -0.273 8.513 1.00 0.00 C ATOM 560 C GLU A 30 -6.118 0.368 7.657 1.00 0.00 C ATOM 561 O GLU A 30 -4.943 0.088 7.809 1.00 0.00 O ATOM 562 CB GLU A 30 -7.824 -1.440 7.760 1.00 0.00 C ATOM 563 CG GLU A 30 -8.941 -2.127 8.529 1.00 0.00 C ATOM 564 CD GLU A 30 -8.802 -3.636 8.543 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.661 -4.129 8.418 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.834 -4.326 8.681 1.00 0.00 O ATOM 0 H GLU A 30 -9.095 0.583 8.407 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.743 -0.654 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.218 -1.078 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.051 -2.172 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.950 -1.758 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.900 -1.859 8.085 1.00 0.00 H new ATOM 573 N LYS A 31 -6.536 1.245 6.765 1.00 0.00 N ATOM 574 CA LYS A 31 -5.605 1.934 5.895 1.00 0.00 C ATOM 575 C LYS A 31 -4.598 2.724 6.724 1.00 0.00 C ATOM 576 O LYS A 31 -3.432 2.837 6.361 1.00 0.00 O ATOM 577 CB LYS A 31 -6.374 2.849 4.942 1.00 0.00 C ATOM 578 CG LYS A 31 -6.529 4.275 5.439 1.00 0.00 C ATOM 579 CD LYS A 31 -7.188 5.155 4.394 1.00 0.00 C ATOM 580 CE LYS A 31 -7.477 6.546 4.936 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.294 7.597 3.895 1.00 0.00 N ATOM 0 H LYS A 31 -7.514 1.497 6.624 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.053 1.205 5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.863 2.865 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.364 2.426 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.125 4.281 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.551 4.681 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.540 5.231 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.118 4.693 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.499 6.583 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.817 6.751 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.501 8.531 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.312 7.579 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.941 7.416 3.101 1.00 0.00 H new ATOM 595 N GLU A 32 -5.062 3.264 7.844 1.00 0.00 N ATOM 596 CA GLU A 32 -4.204 4.039 8.732 1.00 0.00 C ATOM 597 C GLU A 32 -3.546 3.129 9.769 1.00 0.00 C ATOM 598 O GLU A 32 -2.382 3.313 10.125 1.00 0.00 O ATOM 599 CB GLU A 32 -5.018 5.139 9.424 1.00 0.00 C ATOM 600 CG GLU A 32 -5.919 4.637 10.544 1.00 0.00 C ATOM 601 CD GLU A 32 -6.530 5.767 11.348 1.00 0.00 C ATOM 602 OE1 GLU A 32 -5.830 6.773 11.586 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.709 5.646 11.741 1.00 0.00 O ATOM 0 H GLU A 32 -6.028 3.180 8.159 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.418 4.506 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.332 5.882 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.631 5.645 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.715 4.026 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.343 3.993 11.208 1.00 0.00 H new ATOM 610 N GLU A 33 -4.306 2.148 10.242 1.00 0.00 N ATOM 611 CA GLU A 33 -3.818 1.198 11.232 1.00 0.00 C ATOM 612 C GLU A 33 -2.831 0.221 10.603 1.00 0.00 C ATOM 613 O GLU A 33 -1.863 -0.200 11.234 1.00 0.00 O ATOM 614 CB GLU A 33 -4.999 0.433 11.826 1.00 0.00 C ATOM 615 CG GLU A 33 -5.904 1.288 12.695 1.00 0.00 C ATOM 616 CD GLU A 33 -5.594 1.152 14.173 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.475 0.711 14.507 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.472 1.487 14.996 1.00 0.00 O ATOM 0 H GLU A 33 -5.271 1.990 9.952 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.302 1.746 12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.588 0.004 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.620 -0.399 12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.802 2.333 12.401 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.942 1.007 12.518 1.00 0.00 H new ATOM 625 N VAL A 34 -3.092 -0.124 9.350 1.00 0.00 N ATOM 626 CA VAL A 34 -2.248 -1.045 8.600 1.00 0.00 C ATOM 627 C VAL A 34 -1.016 -0.321 8.069 1.00 0.00 C ATOM 628 O VAL A 34 0.085 -0.870 8.059 1.00 0.00 O ATOM 629 CB VAL A 34 -3.030 -1.684 7.427 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.133 -2.553 6.558 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.202 -2.498 7.956 1.00 0.00 C ATOM 0 H VAL A 34 -3.893 0.226 8.825 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.932 -1.839 9.277 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.409 -0.875 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.719 -2.983 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.329 -1.945 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.707 -3.354 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.743 -2.942 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.831 -3.288 8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.872 -1.848 8.518 1.00 0.00 H new ATOM 641 N ALA A 35 -1.214 0.915 7.624 1.00 0.00 N ATOM 642 CA ALA A 35 -0.120 1.717 7.087 1.00 0.00 C ATOM 643 C ALA A 35 0.941 2.021 8.141 1.00 0.00 C ATOM 644 O ALA A 35 2.116 2.200 7.817 1.00 0.00 O ATOM 645 CB ALA A 35 -0.653 3.012 6.505 1.00 0.00 C ATOM 0 H ALA A 35 -2.120 1.383 7.624 1.00 0.00 H new ATOM 0 HA ALA A 35 0.354 1.130 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.174 3.600 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.357 2.788 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.160 3.580 7.285 1.00 0.00 H new ATOM 651 N LYS A 36 0.521 2.105 9.398 1.00 0.00 N ATOM 652 CA LYS A 36 1.438 2.419 10.490 1.00 0.00 C ATOM 653 C LYS A 36 2.112 1.172 11.060 1.00 0.00 C ATOM 654 O LYS A 36 3.167 1.265 11.686 1.00 0.00 O ATOM 655 CB LYS A 36 0.692 3.153 11.603 1.00 0.00 C ATOM 656 CG LYS A 36 -0.354 2.298 12.301 1.00 0.00 C ATOM 657 CD LYS A 36 -0.996 3.039 13.463 1.00 0.00 C ATOM 658 CE LYS A 36 -1.737 4.283 12.998 1.00 0.00 C ATOM 659 NZ LYS A 36 -3.188 4.222 13.327 1.00 0.00 N ATOM 0 H LYS A 36 -0.446 1.961 9.687 1.00 0.00 H new ATOM 0 HA LYS A 36 2.221 3.057 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.413 3.505 12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.208 4.035 11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.123 2.006 11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.109 1.380 12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.689 2.375 13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.228 3.321 14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.296 5.164 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.614 4.397 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.550 5.185 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.704 3.779 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.325 3.659 14.191 1.00 0.00 H new ATOM 673 N LYS A 37 1.502 0.009 10.856 1.00 0.00 N ATOM 674 CA LYS A 37 2.064 -1.234 11.372 1.00 0.00 C ATOM 675 C LYS A 37 2.750 -2.034 10.270 1.00 0.00 C ATOM 676 O LYS A 37 3.709 -2.761 10.525 1.00 0.00 O ATOM 677 CB LYS A 37 0.973 -2.081 12.032 1.00 0.00 C ATOM 678 CG LYS A 37 -0.030 -2.660 11.048 1.00 0.00 C ATOM 679 CD LYS A 37 -1.054 -3.538 11.748 1.00 0.00 C ATOM 680 CE LYS A 37 -0.669 -5.006 11.679 1.00 0.00 C ATOM 681 NZ LYS A 37 -1.860 -5.897 11.752 1.00 0.00 N ATOM 0 H LYS A 37 0.627 -0.099 10.342 1.00 0.00 H new ATOM 0 HA LYS A 37 2.814 -0.973 12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.442 -2.897 12.582 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.442 -1.469 12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.540 -1.849 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.496 -3.244 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.144 -3.233 12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.032 -3.395 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.130 -5.197 10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.011 -5.242 12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.554 -6.890 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.361 -5.734 12.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.497 -5.690 10.957 1.00 0.00 H new ATOM 695 N CYS A 38 2.252 -1.898 9.048 1.00 0.00 N ATOM 696 CA CYS A 38 2.820 -2.616 7.916 1.00 0.00 C ATOM 697 C CYS A 38 3.916 -1.797 7.242 1.00 0.00 C ATOM 698 O CYS A 38 4.863 -2.354 6.687 1.00 0.00 O ATOM 699 CB CYS A 38 1.725 -2.971 6.912 1.00 0.00 C ATOM 700 SG CYS A 38 0.441 -4.048 7.590 1.00 0.00 S ATOM 0 H CYS A 38 1.459 -1.300 8.816 1.00 0.00 H new ATOM 0 HA CYS A 38 3.269 -3.537 8.288 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.263 -2.052 6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.179 -3.459 6.050 1.00 0.00 H new ATOM 0 HG CYS A 38 0.954 -4.807 8.512 1.00 0.00 H new ATOM 706 N GLY A 39 3.793 -0.474 7.305 1.00 0.00 N ATOM 707 CA GLY A 39 4.798 0.386 6.705 1.00 0.00 C ATOM 708 C GLY A 39 4.271 1.213 5.552 1.00 0.00 C ATOM 709 O GLY A 39 5.045 1.686 4.718 1.00 0.00 O ATOM 0 H GLY A 39 3.021 0.015 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.197 1.054 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.627 -0.228 6.353 1.00 0.00 H new ATOM 713 N ILE A 40 2.959 1.407 5.505 1.00 0.00 N ATOM 714 CA ILE A 40 2.349 2.203 4.451 1.00 0.00 C ATOM 715 C ILE A 40 1.903 3.553 5.014 1.00 0.00 C ATOM 716 O ILE A 40 2.362 3.962 6.081 1.00 0.00 O ATOM 717 CB ILE A 40 1.142 1.486 3.795 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.026 0.034 4.266 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.260 1.526 2.276 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.227 -0.649 3.765 1.00 0.00 C ATOM 0 H ILE A 40 2.300 1.025 6.183 1.00 0.00 H new ATOM 0 HA ILE A 40 3.102 2.350 3.677 1.00 0.00 H new ATOM 0 HB ILE A 40 0.241 2.017 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.899 -0.524 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.037 0.009 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.404 1.018 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.282 2.563 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.179 1.026 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.253 -1.675 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.104 -0.112 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.228 -0.653 2.675 1.00 0.00 H new ATOM 732 N THR A 41 1.016 4.244 4.306 1.00 0.00 N ATOM 733 CA THR A 41 0.532 5.543 4.765 1.00 0.00 C ATOM 734 C THR A 41 -0.874 5.823 4.240 1.00 0.00 C ATOM 735 O THR A 41 -1.279 5.282 3.211 1.00 0.00 O ATOM 736 CB THR A 41 1.488 6.657 4.324 1.00 0.00 C ATOM 737 OG1 THR A 41 2.686 6.114 3.796 1.00 0.00 O ATOM 738 CG2 THR A 41 1.869 7.597 5.447 1.00 0.00 C ATOM 0 H THR A 41 0.620 3.931 3.420 1.00 0.00 H new ATOM 0 HA THR A 41 0.493 5.519 5.854 1.00 0.00 H new ATOM 0 HB THR A 41 0.943 7.220 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.281 6.842 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.547 8.361 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.972 8.072 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.363 7.035 6.240 1.00 0.00 H new ATOM 746 N PRO A 42 -1.638 6.680 4.943 1.00 0.00 N ATOM 747 CA PRO A 42 -3.003 7.034 4.540 1.00 0.00 C ATOM 748 C PRO A 42 -3.089 7.425 3.069 1.00 0.00 C ATOM 749 O PRO A 42 -4.138 7.291 2.442 1.00 0.00 O ATOM 750 CB PRO A 42 -3.333 8.229 5.435 1.00 0.00 C ATOM 751 CG PRO A 42 -2.500 8.026 6.652 1.00 0.00 C ATOM 752 CD PRO A 42 -1.230 7.374 6.180 1.00 0.00 C ATOM 0 HA PRO A 42 -3.694 6.198 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.093 9.171 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.394 8.259 5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.291 8.975 7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.016 7.397 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.448 8.109 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.837 6.677 6.920 1.00 0.00 H new ATOM 760 N LEU A 43 -1.975 7.905 2.527 1.00 0.00 N ATOM 761 CA LEU A 43 -1.915 8.309 1.128 1.00 0.00 C ATOM 762 C LEU A 43 -1.552 7.122 0.242 1.00 0.00 C ATOM 763 O LEU A 43 -1.944 7.057 -0.925 1.00 0.00 O ATOM 764 CB LEU A 43 -0.895 9.435 0.942 1.00 0.00 C ATOM 765 CG LEU A 43 -1.336 10.560 0.004 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.594 11.232 0.533 1.00 0.00 C ATOM 767 CD2 LEU A 43 -0.219 11.579 -0.168 1.00 0.00 C ATOM 0 H LEU A 43 -1.100 8.024 3.037 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.899 8.674 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.669 9.864 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.031 9.006 0.560 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.561 10.128 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.894 12.030 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.396 10.497 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.395 11.651 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.550 12.372 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.036 12.006 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.658 11.089 -0.591 1.00 0.00 H new ATOM 779 N GLN A 44 -0.804 6.178 0.806 1.00 0.00 N ATOM 780 CA GLN A 44 -0.398 4.991 0.071 1.00 0.00 C ATOM 781 C GLN A 44 -1.514 3.962 0.090 1.00 0.00 C ATOM 782 O GLN A 44 -2.013 3.556 -0.950 1.00 0.00 O ATOM 783 CB GLN A 44 0.879 4.399 0.664 1.00 0.00 C ATOM 784 CG GLN A 44 1.853 5.448 1.173 1.00 0.00 C ATOM 785 CD GLN A 44 2.243 6.449 0.102 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.763 6.081 -0.950 1.00 0.00 O ATOM 787 NE2 GLN A 44 1.990 7.726 0.369 1.00 0.00 N ATOM 0 H GLN A 44 -0.469 6.215 1.769 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.195 5.275 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.614 3.732 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.374 3.792 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.405 5.977 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.750 4.955 1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.557 7.986 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.229 8.446 -0.312 1.00 0.00 H new ATOM 796 N VAL A 45 -1.911 3.557 1.287 1.00 0.00 N ATOM 797 CA VAL A 45 -2.981 2.579 1.464 1.00 0.00 C ATOM 798 C VAL A 45 -4.085 2.736 0.420 1.00 0.00 C ATOM 799 O VAL A 45 -4.681 1.758 -0.016 1.00 0.00 O ATOM 800 CB VAL A 45 -3.595 2.714 2.859 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.577 2.321 3.910 1.00 0.00 C ATOM 802 CG2 VAL A 45 -4.081 4.137 3.085 1.00 0.00 C ATOM 0 H VAL A 45 -1.505 3.893 2.160 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.533 1.593 1.341 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.452 2.045 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.020 2.419 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.270 1.287 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.707 2.973 3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.516 4.219 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.241 4.826 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.835 4.387 2.339 1.00 0.00 H new ATOM 812 N ARG A 46 -4.348 3.969 0.012 1.00 0.00 N ATOM 813 CA ARG A 46 -5.372 4.229 -0.987 1.00 0.00 C ATOM 814 C ARG A 46 -4.839 3.981 -2.398 1.00 0.00 C ATOM 815 O ARG A 46 -5.374 3.153 -3.131 1.00 0.00 O ATOM 816 CB ARG A 46 -5.902 5.659 -0.862 1.00 0.00 C ATOM 817 CG ARG A 46 -4.833 6.698 -0.558 1.00 0.00 C ATOM 818 CD ARG A 46 -4.876 7.855 -1.543 1.00 0.00 C ATOM 819 NE ARG A 46 -6.208 8.447 -1.638 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.445 9.671 -2.108 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.443 10.434 -2.525 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.687 10.131 -2.161 1.00 0.00 N ATOM 0 H ARG A 46 -3.869 4.801 0.356 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.195 3.538 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.403 5.931 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.655 5.688 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.972 7.077 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.850 6.229 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.162 8.619 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.565 7.504 -2.527 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.004 7.890 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.486 10.084 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.630 11.370 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.461 9.548 -1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.869 11.068 -2.521 1.00 0.00 H new ATOM 836 N VAL A 47 -3.781 4.696 -2.775 1.00 0.00 N ATOM 837 CA VAL A 47 -3.187 4.541 -4.102 1.00 0.00 C ATOM 838 C VAL A 47 -2.480 3.197 -4.243 1.00 0.00 C ATOM 839 O VAL A 47 -2.612 2.509 -5.254 1.00 0.00 O ATOM 840 CB VAL A 47 -2.172 5.661 -4.383 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.833 7.019 -4.232 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.970 5.532 -3.456 1.00 0.00 C ATOM 0 H VAL A 47 -3.318 5.386 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.004 4.594 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.818 5.567 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.103 7.803 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.659 7.102 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.212 7.128 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.260 6.332 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.300 5.604 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.488 4.568 -3.617 1.00 0.00 H new ATOM 852 N TRP A 48 -1.722 2.845 -3.218 1.00 0.00 N ATOM 853 CA TRP A 48 -0.976 1.603 -3.197 1.00 0.00 C ATOM 854 C TRP A 48 -1.918 0.407 -3.311 1.00 0.00 C ATOM 855 O TRP A 48 -1.774 -0.413 -4.217 1.00 0.00 O ATOM 856 CB TRP A 48 -0.132 1.538 -1.920 1.00 0.00 C ATOM 857 CG TRP A 48 1.329 1.332 -2.185 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.244 2.297 -2.491 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.044 0.091 -2.172 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.484 1.733 -2.668 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.388 0.381 -2.478 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.681 -1.236 -1.931 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.366 -0.607 -2.548 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.654 -2.216 -2.003 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.981 -1.897 -2.309 1.00 0.00 C ATOM 0 H TRP A 48 -1.608 3.413 -2.379 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.306 1.567 -4.056 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.265 2.462 -1.357 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.498 0.726 -1.292 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.025 3.351 -2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.338 2.240 -2.903 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.659 -1.492 -1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.392 -0.363 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.385 -3.246 -1.820 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.717 -2.686 -2.358 1.00 0.00 H new ATOM 876 N PHE A 49 -2.897 0.314 -2.409 1.00 0.00 N ATOM 877 CA PHE A 49 -3.857 -0.783 -2.454 1.00 0.00 C ATOM 878 C PHE A 49 -4.641 -0.753 -3.762 1.00 0.00 C ATOM 879 O PHE A 49 -5.115 -1.782 -4.232 1.00 0.00 O ATOM 880 CB PHE A 49 -4.834 -0.715 -1.277 1.00 0.00 C ATOM 881 CG PHE A 49 -4.200 -0.884 0.080 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.906 -1.371 0.214 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.907 -0.553 1.224 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.336 -1.522 1.465 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.342 -0.703 2.475 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.056 -1.187 2.596 1.00 0.00 C ATOM 0 H PHE A 49 -3.043 0.978 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.294 -1.714 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.349 0.245 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.592 -1.487 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.340 -1.634 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.914 -0.172 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.329 -1.901 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.906 -0.442 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.612 -1.304 3.574 1.00 0.00 H new ATOM 896 N ILE A 50 -4.780 0.430 -4.353 1.00 0.00 N ATOM 897 CA ILE A 50 -5.511 0.560 -5.608 1.00 0.00 C ATOM 898 C ILE A 50 -4.862 -0.297 -6.697 1.00 0.00 C ATOM 899 O ILE A 50 -5.531 -1.095 -7.353 1.00 0.00 O ATOM 900 CB ILE A 50 -5.595 2.038 -6.067 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.844 2.700 -5.478 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.604 2.150 -7.589 1.00 0.00 C ATOM 903 CD1 ILE A 50 -8.141 2.151 -6.035 1.00 0.00 C ATOM 0 H ILE A 50 -4.400 1.303 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.527 0.205 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.708 2.556 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.839 2.569 -4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.801 3.772 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.664 3.200 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.689 1.715 -7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.466 1.615 -7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.983 2.666 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.169 2.306 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.207 1.084 -5.820 1.00 0.00 H new ATOM 915 N ASN A 51 -3.557 -0.130 -6.879 1.00 0.00 N ATOM 916 CA ASN A 51 -2.823 -0.889 -7.886 1.00 0.00 C ATOM 917 C ASN A 51 -2.481 -2.289 -7.382 1.00 0.00 C ATOM 918 O ASN A 51 -2.546 -3.262 -8.134 1.00 0.00 O ATOM 919 CB ASN A 51 -1.542 -0.149 -8.278 1.00 0.00 C ATOM 920 CG ASN A 51 -1.794 0.935 -9.308 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.035 0.648 -10.481 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.740 2.188 -8.873 1.00 0.00 N ATOM 0 H ASN A 51 -2.986 0.523 -6.343 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.463 -0.989 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.095 0.295 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.820 -0.863 -8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.902 2.960 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.537 2.379 -7.892 1.00 0.00 H new ATOM 929 N LYS A 52 -2.113 -2.386 -6.109 1.00 0.00 N ATOM 930 CA LYS A 52 -1.756 -3.669 -5.508 1.00 0.00 C ATOM 931 C LYS A 52 -2.997 -4.515 -5.233 1.00 0.00 C ATOM 932 O LYS A 52 -2.910 -5.737 -5.110 1.00 0.00 O ATOM 933 CB LYS A 52 -0.979 -3.447 -4.207 1.00 0.00 C ATOM 934 CG LYS A 52 0.528 -3.590 -4.358 1.00 0.00 C ATOM 935 CD LYS A 52 1.060 -2.794 -5.539 1.00 0.00 C ATOM 936 CE LYS A 52 2.525 -3.102 -5.799 1.00 0.00 C ATOM 937 NZ LYS A 52 2.694 -4.231 -6.755 1.00 0.00 N ATOM 0 H LYS A 52 -2.054 -1.592 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.126 -4.207 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.203 -2.450 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.329 -4.160 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.017 -3.254 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.781 -4.642 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.474 -3.025 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.939 -1.728 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.018 -2.214 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.017 -3.347 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.707 -4.410 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.246 -5.085 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.247 -3.988 -7.662 1.00 0.00 H new ATOM 951 N ARG A 53 -4.150 -3.861 -5.131 1.00 0.00 N ATOM 952 CA ARG A 53 -5.402 -4.558 -4.863 1.00 0.00 C ATOM 953 C ARG A 53 -6.524 -4.063 -5.769 1.00 0.00 C ATOM 954 O ARG A 53 -7.690 -4.077 -5.379 1.00 0.00 O ATOM 955 CB ARG A 53 -5.819 -4.371 -3.403 1.00 0.00 C ATOM 956 CG ARG A 53 -7.029 -5.210 -3.018 1.00 0.00 C ATOM 957 CD ARG A 53 -8.142 -4.357 -2.426 1.00 0.00 C ATOM 958 NE ARG A 53 -7.631 -3.347 -1.500 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.310 -2.259 -1.143 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.522 -2.033 -1.633 1.00 0.00 N ATOM 961 NH2 ARG A 53 -7.775 -1.396 -0.291 1.00 0.00 N ATOM 0 H ARG A 53 -4.243 -2.850 -5.230 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.231 -5.615 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.982 -4.632 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.042 -3.319 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.402 -5.735 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.730 -5.970 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.688 -3.866 -3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.852 -4.999 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.701 -3.484 -1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.939 -2.695 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.037 -1.197 -1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.844 -1.566 0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.294 -0.562 -0.017 1.00 0.00 H new ATOM 975 N MET A 54 -6.175 -3.624 -6.973 1.00 0.00 N ATOM 976 CA MET A 54 -7.173 -3.130 -7.918 1.00 0.00 C ATOM 977 C MET A 54 -8.346 -4.100 -8.033 1.00 0.00 C ATOM 978 O MET A 54 -8.325 -5.023 -8.847 1.00 0.00 O ATOM 979 CB MET A 54 -6.541 -2.903 -9.293 1.00 0.00 C ATOM 980 CG MET A 54 -6.999 -1.622 -9.970 1.00 0.00 C ATOM 981 SD MET A 54 -6.767 -1.658 -11.757 1.00 0.00 S ATOM 982 CE MET A 54 -7.922 -2.944 -12.223 1.00 0.00 C ATOM 0 H MET A 54 -5.215 -3.599 -7.318 1.00 0.00 H new ATOM 0 HA MET A 54 -7.551 -2.179 -7.542 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.457 -2.879 -9.186 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.779 -3.749 -9.937 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.053 -1.455 -9.748 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.448 -0.779 -9.553 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.378 -3.778 -12.667 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.458 -3.290 -11.339 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.634 -2.548 -12.947 1.00 0.00 H new ATOM 992 N ARG A 55 -9.363 -3.885 -7.205 1.00 0.00 N ATOM 993 CA ARG A 55 -10.542 -4.738 -7.203 1.00 0.00 C ATOM 994 C ARG A 55 -11.412 -4.468 -8.426 1.00 0.00 C ATOM 995 O ARG A 55 -11.919 -5.396 -9.054 1.00 0.00 O ATOM 996 CB ARG A 55 -11.353 -4.515 -5.924 1.00 0.00 C ATOM 997 CG ARG A 55 -10.727 -5.142 -4.691 1.00 0.00 C ATOM 998 CD ARG A 55 -11.337 -6.501 -4.384 1.00 0.00 C ATOM 999 NE ARG A 55 -10.557 -7.596 -4.958 1.00 0.00 N ATOM 1000 CZ ARG A 55 -10.739 -8.078 -6.187 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -11.673 -7.568 -6.980 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -9.983 -9.075 -6.623 1.00 0.00 N ATOM 0 H ARG A 55 -9.393 -3.125 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.211 -5.776 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.468 -3.444 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.353 -4.925 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.653 -5.250 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.863 -4.480 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.405 -6.632 -3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.354 -6.538 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.828 -8.017 -4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.259 -6.801 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.805 -7.943 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.264 -9.472 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.120 -9.446 -7.563 1.00 0.00 H new ATOM 1016 N SER A 56 -11.568 -3.187 -8.760 1.00 0.00 N ATOM 1017 CA SER A 56 -12.364 -2.771 -9.911 1.00 0.00 C ATOM 1018 C SER A 56 -13.623 -3.624 -10.073 1.00 0.00 C ATOM 1019 O SER A 56 -13.861 -4.206 -11.132 1.00 0.00 O ATOM 1020 CB SER A 56 -11.510 -2.837 -11.171 1.00 0.00 C ATOM 1021 OG SER A 56 -12.100 -2.106 -12.232 1.00 0.00 O ATOM 0 H SER A 56 -11.149 -2.414 -8.243 1.00 0.00 H new ATOM 0 HA SER A 56 -12.691 -1.745 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.517 -2.440 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.380 -3.877 -11.471 1.00 0.00 H new ATOM 0 HG SER A 56 -12.983 -2.479 -12.434 1.00 0.00 H new ATOM 1027 N LYS A 57 -14.425 -3.691 -9.015 1.00 0.00 N ATOM 1028 CA LYS A 57 -15.659 -4.470 -9.036 1.00 0.00 C ATOM 1029 C LYS A 57 -15.371 -5.944 -9.303 1.00 0.00 C ATOM 1030 O LYS A 57 -16.338 -6.704 -9.520 1.00 0.00 O ATOM 1031 CB LYS A 57 -16.611 -3.925 -10.102 1.00 0.00 C ATOM 1032 CG LYS A 57 -17.111 -2.518 -9.810 1.00 0.00 C ATOM 1033 CD LYS A 57 -16.585 -1.515 -10.823 1.00 0.00 C ATOM 1034 CE LYS A 57 -16.409 -0.138 -10.204 1.00 0.00 C ATOM 1035 NZ LYS A 57 -15.515 -0.174 -9.014 1.00 0.00 N ATOM 1036 OXT LYS A 57 -14.183 -6.326 -9.293 1.00 0.00 O ATOM 0 H LYS A 57 -14.243 -3.215 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.129 -4.383 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.103 -3.928 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.466 -4.595 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.201 -2.509 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.800 -2.221 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.630 -1.862 -11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.274 -1.451 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.996 0.544 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.383 0.257 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.005 0.729 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.084 -0.326 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.830 -0.950 -9.117 1.00 0.00 H new TER 1050 LYS A 57