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: 1 68 ASN : amide:sc= -2.4! K(o=-9!,f=-7.2) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -6.61 K(o=-9,f=-9.8!) USER MOD Set 2.1: 1 37 THR OG1 : rot -6:sc= 0.454 USER MOD Set 2.2: 1 40 SER OG : rot 66:sc= 0.587 USER MOD Single : 1 1 SER N :NH3+ -112:sc= 0.0522 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= -0.368 USER MOD Single : 1 7 ASN : amide:sc= -2.21 K(o=-2.2,f=-2.8) USER MOD Single : 1 8 LYS NZ :NH3+ -160:sc= 0.395 (180deg=0.233) USER MOD Single : 1 12 GLN : amide:sc= -0.918 K(o=-0.92,f=-9.7!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : 1 25 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : 1 30 ASN : amide:sc= -4.72! K(o=-4.7!,f=-0.37) USER MOD Single : 1 33 THR OG1 : rot 170:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0357) USER MOD Single : 1 41 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.052) USER MOD Single : 1 43 ASN : amide:sc= -5.78! C(o=-5.8!,f=-16!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.5!) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 81:sc= 0.62 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ -148:sc= -0.283 (180deg=-1.39) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 19.955 1.849 -12.137 1.00 0.00 N ATOM 2 CA SER 1 1 19.409 0.767 -11.277 1.00 0.00 C ATOM 3 C SER 1 1 17.883 0.746 -11.316 1.00 0.00 C ATOM 4 O SER 1 1 17.247 1.765 -11.583 1.00 0.00 O ATOM 5 CB SER 1 1 19.897 0.990 -9.844 1.00 0.00 C ATOM 6 OG SER 1 1 19.416 2.219 -9.327 1.00 0.00 O ATOM 0 H1 SER 1 1 20.450 1.430 -12.950 1.00 0.00 H new ATOM 0 H2 SER 1 1 19.176 2.448 -12.477 1.00 0.00 H new ATOM 0 H3 SER 1 1 20.622 2.427 -11.586 1.00 0.00 H new ATOM 0 HA SER 1 1 19.760 -0.196 -11.649 1.00 0.00 H new ATOM 0 HB2 SER 1 1 19.561 0.169 -9.210 1.00 0.00 H new ATOM 0 HB3 SER 1 1 20.987 0.984 -9.823 1.00 0.00 H new ATOM 0 HG SER 1 1 19.740 2.337 -8.410 1.00 0.00 H new ATOM 14 N PRO 1 2 17.274 -0.422 -11.049 1.00 0.00 N ATOM 15 CA PRO 1 2 15.815 -0.572 -11.055 1.00 0.00 C ATOM 16 C PRO 1 2 15.105 0.515 -10.246 1.00 0.00 C ATOM 17 O PRO 1 2 14.099 1.067 -10.692 1.00 0.00 O ATOM 18 CB PRO 1 2 15.595 -1.946 -10.421 1.00 0.00 C ATOM 19 CG PRO 1 2 16.845 -2.702 -10.715 1.00 0.00 C ATOM 20 CD PRO 1 2 17.958 -1.688 -10.721 1.00 0.00 C ATOM 0 HA PRO 1 2 15.405 -0.481 -12.061 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 15.425 -1.864 -9.347 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 14.722 -2.443 -10.845 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 17.022 -3.470 -9.962 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 16.776 -3.210 -11.677 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 18.457 -1.635 -9.753 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 18.721 -1.934 -11.460 1.00 0.00 H new ATOM 28 N PRO 1 3 15.615 0.844 -9.043 1.00 0.00 N ATOM 29 CA PRO 1 3 15.018 1.869 -8.186 1.00 0.00 C ATOM 30 C PRO 1 3 15.301 3.275 -8.699 1.00 0.00 C ATOM 31 O PRO 1 3 16.329 3.868 -8.373 1.00 0.00 O ATOM 32 CB PRO 1 3 15.691 1.651 -6.819 1.00 0.00 C ATOM 33 CG PRO 1 3 16.502 0.402 -6.955 1.00 0.00 C ATOM 34 CD PRO 1 3 16.803 0.257 -8.417 1.00 0.00 C ATOM 0 HA PRO 1 3 13.932 1.784 -8.150 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.322 2.499 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.947 1.549 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.421 0.469 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.952 -0.462 -6.583 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.714 0.786 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.939 -0.786 -8.702 1.00 0.00 H new ATOM 42 N VAL 1 4 14.385 3.805 -9.505 1.00 0.00 N ATOM 43 CA VAL 1 4 14.544 5.144 -10.059 1.00 0.00 C ATOM 44 C VAL 1 4 13.402 6.060 -9.644 1.00 0.00 C ATOM 45 O VAL 1 4 12.253 5.853 -10.033 1.00 0.00 O ATOM 46 CB VAL 1 4 14.633 5.114 -11.599 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.085 5.064 -12.047 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.856 3.933 -12.161 1.00 0.00 C ATOM 0 H VAL 1 4 13.528 3.329 -9.788 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.478 5.535 -9.657 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.185 6.029 -11.986 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.129 5.043 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.610 5.946 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.558 4.167 -11.648 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 13.932 3.931 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.270 3.005 -11.767 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.809 4.015 -11.871 1.00 0.00 H new ATOM 58 N CYS 1 5 13.730 7.090 -8.872 1.00 0.00 N ATOM 59 CA CYS 1 5 12.734 8.052 -8.430 1.00 0.00 C ATOM 60 C CYS 1 5 12.486 9.049 -9.551 1.00 0.00 C ATOM 61 O CYS 1 5 13.338 9.886 -9.850 1.00 0.00 O ATOM 62 CB CYS 1 5 13.210 8.785 -7.172 1.00 0.00 C ATOM 63 SG CYS 1 5 12.171 8.502 -5.702 1.00 0.00 S ATOM 0 H CYS 1 5 14.676 7.278 -8.541 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.810 7.528 -8.186 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 14.230 8.473 -6.947 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.243 9.855 -7.379 1.00 0.00 H new ATOM 68 N GLY 1 6 11.336 8.932 -10.193 1.00 0.00 N ATOM 69 CA GLY 1 6 11.022 9.803 -11.303 1.00 0.00 C ATOM 70 C GLY 1 6 11.059 9.043 -12.611 1.00 0.00 C ATOM 71 O GLY 1 6 11.338 9.607 -13.669 1.00 0.00 O ATOM 0 H GLY 1 6 10.614 8.249 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.034 10.240 -11.159 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.734 10.628 -11.336 1.00 0.00 H new ATOM 75 N ASN 1 7 10.774 7.748 -12.522 1.00 0.00 N ATOM 76 CA ASN 1 7 10.764 6.868 -13.678 1.00 0.00 C ATOM 77 C ASN 1 7 9.425 6.151 -13.770 1.00 0.00 C ATOM 78 O ASN 1 7 9.218 5.297 -14.633 1.00 0.00 O ATOM 79 CB ASN 1 7 11.895 5.843 -13.562 1.00 0.00 C ATOM 80 CG ASN 1 7 13.170 6.311 -14.237 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.736 7.342 -13.874 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.628 5.553 -15.226 1.00 0.00 N ATOM 0 H ASN 1 7 10.544 7.282 -11.644 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.913 7.463 -14.579 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.096 5.645 -12.509 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.575 4.901 -14.008 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.481 5.817 -15.718 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.126 4.706 -15.494 1.00 0.00 H new ATOM 89 N LYS 1 8 8.520 6.503 -12.860 1.00 0.00 N ATOM 90 CA LYS 1 8 7.198 5.904 -12.806 1.00 0.00 C ATOM 91 C LYS 1 8 7.260 4.510 -12.189 1.00 0.00 C ATOM 92 O LYS 1 8 6.318 3.727 -12.312 1.00 0.00 O ATOM 93 CB LYS 1 8 6.569 5.838 -14.201 1.00 0.00 C ATOM 94 CG LYS 1 8 5.076 6.122 -14.209 1.00 0.00 C ATOM 95 CD LYS 1 8 4.624 6.689 -15.545 1.00 0.00 C ATOM 96 CE LYS 1 8 3.573 7.772 -15.363 1.00 0.00 C ATOM 97 NZ LYS 1 8 3.701 8.848 -16.384 1.00 0.00 N ATOM 0 H LYS 1 8 8.686 7.210 -12.143 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.572 6.535 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.070 6.555 -14.851 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.744 4.849 -14.623 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.529 5.203 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.834 6.826 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.483 7.099 -16.077 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 4.219 5.888 -16.163 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 2.580 7.328 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 3.666 8.204 -14.367 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.220 9.706 -16.046 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 4.707 9.056 -16.545 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 3.265 8.535 -17.275 1.00 0.00 H new ATOM 111 N ILE 1 9 8.371 4.206 -11.520 1.00 0.00 N ATOM 112 CA ILE 1 9 8.543 2.910 -10.883 1.00 0.00 C ATOM 113 C ILE 1 9 8.693 3.065 -9.380 1.00 0.00 C ATOM 114 O ILE 1 9 9.687 3.612 -8.904 1.00 0.00 O ATOM 115 CB ILE 1 9 9.782 2.152 -11.415 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.467 2.931 -12.539 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.392 0.762 -11.887 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.673 2.221 -13.110 1.00 0.00 C ATOM 0 H ILE 1 9 9.161 4.841 -11.407 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.649 2.334 -11.121 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.494 2.054 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.748 3.110 -13.338 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.773 3.906 -12.161 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.275 0.243 -12.258 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.964 0.202 -11.055 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.656 0.843 -12.687 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.111 2.828 -13.902 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.410 2.065 -12.322 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.369 1.257 -13.518 1.00 0.00 H new ATOM 130 N LEU 1 10 7.721 2.563 -8.633 1.00 0.00 N ATOM 131 CA LEU 1 10 7.781 2.632 -7.183 1.00 0.00 C ATOM 132 C LEU 1 10 8.843 1.661 -6.682 1.00 0.00 C ATOM 133 O LEU 1 10 8.538 0.687 -5.994 1.00 0.00 O ATOM 134 CB LEU 1 10 6.420 2.298 -6.565 1.00 0.00 C ATOM 135 CG LEU 1 10 5.670 1.140 -7.227 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.983 0.279 -6.179 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.658 1.668 -8.234 1.00 0.00 C ATOM 0 H LEU 1 10 6.888 2.107 -9.004 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.043 3.647 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.566 2.060 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.792 3.188 -6.607 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.393 0.520 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.455 -0.539 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.729 -0.128 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.272 0.886 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.133 0.831 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.939 2.310 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.175 2.241 -9.004 1.00 0.00 H new ATOM 149 N GLU 1 11 10.094 1.927 -7.053 1.00 0.00 N ATOM 150 CA GLU 1 11 11.203 1.069 -6.663 1.00 0.00 C ATOM 151 C GLU 1 11 12.243 1.853 -5.876 1.00 0.00 C ATOM 152 O GLU 1 11 12.777 1.361 -4.883 1.00 0.00 O ATOM 153 CB GLU 1 11 11.840 0.432 -7.899 1.00 0.00 C ATOM 154 CG GLU 1 11 13.004 -0.492 -7.579 1.00 0.00 C ATOM 155 CD GLU 1 11 12.585 -1.946 -7.486 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.034 -2.470 -8.477 1.00 0.00 O ATOM 157 OE2 GLU 1 11 12.808 -2.561 -6.422 1.00 0.00 O ATOM 0 H GLU 1 11 10.361 2.730 -7.623 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.815 0.278 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.079 -0.131 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.187 1.221 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.769 -0.387 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.457 -0.187 -6.635 1.00 0.00 H new ATOM 164 N GLN 1 12 12.525 3.076 -6.319 1.00 0.00 N ATOM 165 CA GLN 1 12 13.501 3.923 -5.637 1.00 0.00 C ATOM 166 C GLN 1 12 13.005 4.347 -4.249 1.00 0.00 C ATOM 167 O GLN 1 12 12.838 5.537 -3.981 1.00 0.00 O ATOM 168 CB GLN 1 12 13.802 5.164 -6.477 1.00 0.00 C ATOM 169 CG GLN 1 12 14.855 6.070 -5.859 1.00 0.00 C ATOM 170 CD GLN 1 12 16.052 6.283 -6.765 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.025 7.128 -7.660 1.00 0.00 O ATOM 172 NE2 GLN 1 12 17.112 5.516 -6.536 1.00 0.00 N ATOM 0 H GLN 1 12 12.095 3.501 -7.141 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.413 3.339 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.137 4.852 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.882 5.731 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.406 7.035 -5.626 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.191 5.638 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 17.091 4.828 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.947 5.615 -7.113 1.00 0.00 H new ATOM 181 N GLY 1 13 12.781 3.365 -3.370 1.00 0.00 N ATOM 182 CA GLY 1 13 12.315 3.642 -2.013 1.00 0.00 C ATOM 183 C GLY 1 13 11.355 4.817 -1.931 1.00 0.00 C ATOM 184 O GLY 1 13 11.409 5.605 -0.987 1.00 0.00 O ATOM 0 H GLY 1 13 12.915 2.375 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.824 2.753 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 13.176 3.841 -1.375 1.00 0.00 H new ATOM 188 N GLU 1 14 10.484 4.937 -2.924 1.00 0.00 N ATOM 189 CA GLU 1 14 9.517 6.029 -2.965 1.00 0.00 C ATOM 190 C GLU 1 14 8.153 5.600 -2.429 1.00 0.00 C ATOM 191 O GLU 1 14 7.519 6.328 -1.665 1.00 0.00 O ATOM 192 CB GLU 1 14 9.376 6.569 -4.395 1.00 0.00 C ATOM 193 CG GLU 1 14 8.936 5.533 -5.420 1.00 0.00 C ATOM 194 CD GLU 1 14 10.068 4.635 -5.870 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.348 3.644 -5.165 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.672 4.921 -6.925 1.00 0.00 O ATOM 0 H GLU 1 14 10.426 4.292 -3.712 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.894 6.822 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.656 7.387 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 10.333 6.988 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.141 4.921 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.516 6.042 -6.287 1.00 0.00 H new ATOM 203 N ASP 1 15 7.699 4.423 -2.842 1.00 0.00 N ATOM 204 CA ASP 1 15 6.400 3.907 -2.417 1.00 0.00 C ATOM 205 C ASP 1 15 5.259 4.704 -3.053 1.00 0.00 C ATOM 206 O ASP 1 15 4.098 4.549 -2.674 1.00 0.00 O ATOM 207 CB ASP 1 15 6.276 3.949 -0.890 1.00 0.00 C ATOM 208 CG ASP 1 15 7.516 3.422 -0.194 1.00 0.00 C ATOM 209 OD1 ASP 1 15 8.170 2.516 -0.751 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.832 3.916 0.909 1.00 0.00 O ATOM 0 H ASP 1 15 8.211 3.805 -3.472 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.328 2.872 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.092 4.975 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.412 3.360 -0.582 1.00 0.00 H new ATOM 215 N CYS 1 16 5.599 5.552 -4.028 1.00 0.00 N ATOM 216 CA CYS 1 16 4.612 6.373 -4.730 1.00 0.00 C ATOM 217 C CYS 1 16 5.299 7.479 -5.523 1.00 0.00 C ATOM 218 O CYS 1 16 5.489 8.588 -5.025 1.00 0.00 O ATOM 219 CB CYS 1 16 3.602 6.983 -3.752 1.00 0.00 C ATOM 220 SG CYS 1 16 1.957 6.195 -3.784 1.00 0.00 S ATOM 0 H CYS 1 16 6.557 5.687 -4.350 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.074 5.724 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.005 6.915 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.489 8.043 -3.979 1.00 0.00 H new ATOM 225 N ASP 1 17 5.667 7.169 -6.762 1.00 0.00 N ATOM 226 CA ASP 1 17 6.332 8.141 -7.623 1.00 0.00 C ATOM 227 C ASP 1 17 5.810 8.059 -9.053 1.00 0.00 C ATOM 228 O ASP 1 17 5.224 7.056 -9.461 1.00 0.00 O ATOM 229 CB ASP 1 17 7.846 7.916 -7.611 1.00 0.00 C ATOM 230 CG ASP 1 17 8.588 8.893 -8.503 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.938 9.991 -8.021 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.821 8.560 -9.684 1.00 0.00 O ATOM 0 H ASP 1 17 5.517 6.256 -7.191 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.113 9.135 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.215 8.010 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 8.061 6.898 -7.936 1.00 0.00 H new ATOM 237 N CYS 1 18 6.042 9.124 -9.809 1.00 0.00 N ATOM 238 CA CYS 1 18 5.617 9.196 -11.199 1.00 0.00 C ATOM 239 C CYS 1 18 6.783 9.614 -12.088 1.00 0.00 C ATOM 240 O CYS 1 18 7.702 10.298 -11.637 1.00 0.00 O ATOM 241 CB CYS 1 18 4.473 10.192 -11.357 1.00 0.00 C ATOM 242 SG CYS 1 18 3.168 10.044 -10.094 1.00 0.00 S ATOM 0 H CYS 1 18 6.527 9.958 -9.478 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.272 8.207 -11.501 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.880 11.203 -11.325 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.025 10.060 -12.342 1.00 0.00 H new ATOM 247 N GLY 1 19 6.742 9.206 -13.351 1.00 0.00 N ATOM 248 CA GLY 1 19 7.803 9.559 -14.279 1.00 0.00 C ATOM 249 C GLY 1 19 8.143 11.038 -14.237 1.00 0.00 C ATOM 250 O GLY 1 19 9.301 11.410 -14.047 1.00 0.00 O ATOM 0 H GLY 1 19 5.995 8.638 -13.750 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.695 8.978 -14.045 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.502 9.287 -15.291 1.00 0.00 H new ATOM 254 N SER 1 20 7.130 11.881 -14.410 1.00 0.00 N ATOM 255 CA SER 1 20 7.325 13.327 -14.387 1.00 0.00 C ATOM 256 C SER 1 20 6.196 14.018 -13.621 1.00 0.00 C ATOM 257 O SER 1 20 5.024 13.688 -13.802 1.00 0.00 O ATOM 258 CB SER 1 20 7.399 13.875 -15.813 1.00 0.00 C ATOM 259 OG SER 1 20 8.345 14.926 -15.907 1.00 0.00 O ATOM 0 H SER 1 20 6.166 11.588 -14.568 1.00 0.00 H new ATOM 0 HA SER 1 20 8.266 13.533 -13.876 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.671 13.074 -16.500 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.417 14.237 -16.118 1.00 0.00 H new ATOM 0 HG SER 1 20 8.375 15.258 -16.829 1.00 0.00 H new ATOM 265 N PRO 1 21 6.532 14.991 -12.752 1.00 0.00 N ATOM 266 CA PRO 1 21 5.536 15.725 -11.962 1.00 0.00 C ATOM 267 C PRO 1 21 4.354 16.199 -12.803 1.00 0.00 C ATOM 268 O PRO 1 21 3.246 16.367 -12.293 1.00 0.00 O ATOM 269 CB PRO 1 21 6.325 16.921 -11.431 1.00 0.00 C ATOM 270 CG PRO 1 21 7.730 16.434 -11.342 1.00 0.00 C ATOM 271 CD PRO 1 21 7.906 15.451 -12.469 1.00 0.00 C ATOM 0 HA PRO 1 21 5.095 15.102 -11.184 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.244 17.778 -12.100 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 5.954 17.240 -10.457 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.435 17.260 -11.433 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 7.917 15.959 -10.379 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.359 15.920 -13.342 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.554 14.623 -12.180 1.00 0.00 H new ATOM 279 N ALA 1 22 4.593 16.406 -14.095 1.00 0.00 N ATOM 280 CA ALA 1 22 3.545 16.853 -15.002 1.00 0.00 C ATOM 281 C ALA 1 22 2.698 15.674 -15.458 1.00 0.00 C ATOM 282 O ALA 1 22 1.494 15.805 -15.677 1.00 0.00 O ATOM 283 CB ALA 1 22 4.151 17.569 -16.200 1.00 0.00 C ATOM 0 H ALA 1 22 5.503 16.271 -14.535 1.00 0.00 H new ATOM 0 HA ALA 1 22 2.902 17.554 -14.470 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 3.355 17.897 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 4.718 18.435 -15.858 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 4.815 16.888 -16.733 1.00 0.00 H new ATOM 289 N ASN 1 23 3.340 14.519 -15.591 1.00 0.00 N ATOM 290 CA ASN 1 23 2.654 13.306 -16.010 1.00 0.00 C ATOM 291 C ASN 1 23 2.437 12.371 -14.823 1.00 0.00 C ATOM 292 O ASN 1 23 2.269 11.164 -14.993 1.00 0.00 O ATOM 293 CB ASN 1 23 3.454 12.591 -17.101 1.00 0.00 C ATOM 294 CG ASN 1 23 3.141 13.118 -18.487 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.814 12.355 -19.395 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.242 14.432 -18.657 1.00 0.00 N ATOM 0 H ASN 1 23 4.337 14.399 -15.414 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.681 13.587 -16.413 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.519 12.709 -16.903 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.239 11.523 -17.064 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.045 14.845 -19.569 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.517 15.028 -17.876 1.00 0.00 H new ATOM 303 N CYS 1 24 2.448 12.939 -13.620 1.00 0.00 N ATOM 304 CA CYS 1 24 2.258 12.164 -12.406 1.00 0.00 C ATOM 305 C CYS 1 24 0.784 11.933 -12.138 1.00 0.00 C ATOM 306 O CYS 1 24 0.104 12.768 -11.542 1.00 0.00 O ATOM 307 CB CYS 1 24 2.903 12.862 -11.212 1.00 0.00 C ATOM 308 SG CYS 1 24 2.703 11.968 -9.638 1.00 0.00 S ATOM 0 H CYS 1 24 2.587 13.937 -13.464 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.741 11.197 -12.548 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.967 12.993 -11.411 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.473 13.858 -11.110 1.00 0.00 H new ATOM 313 N GLN 1 25 0.304 10.789 -12.584 1.00 0.00 N ATOM 314 CA GLN 1 25 -1.093 10.423 -12.401 1.00 0.00 C ATOM 315 C GLN 1 25 -1.229 8.959 -11.999 1.00 0.00 C ATOM 316 O GLN 1 25 -1.691 8.131 -12.785 1.00 0.00 O ATOM 317 CB GLN 1 25 -1.882 10.689 -13.684 1.00 0.00 C ATOM 318 CG GLN 1 25 -2.466 12.091 -13.760 1.00 0.00 C ATOM 319 CD GLN 1 25 -3.703 12.160 -14.634 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -3.703 12.809 -15.680 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -4.767 11.490 -14.207 1.00 0.00 N ATOM 0 H GLN 1 25 0.861 10.092 -13.078 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.500 11.037 -11.597 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.229 10.530 -14.542 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -2.691 9.963 -13.760 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -2.716 12.432 -12.755 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -1.712 12.774 -14.150 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -4.722 10.965 -13.334 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -5.629 11.500 -14.752 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.837 8.641 -10.767 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.934 7.280 -10.273 1.00 0.00 C ATOM 332 C ASP 1 26 -1.699 7.250 -8.958 1.00 0.00 C ATOM 333 O ASP 1 26 -1.124 7.441 -7.888 1.00 0.00 O ATOM 334 CB ASP 1 26 0.461 6.680 -10.082 1.00 0.00 C ATOM 335 CG ASP 1 26 1.010 6.076 -11.360 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.516 6.439 -12.448 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.934 5.241 -11.272 1.00 0.00 O ATOM 0 H ASP 1 26 -0.451 9.308 -10.099 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.473 6.683 -11.009 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.141 7.454 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.421 5.913 -9.309 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.997 6.991 -9.057 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.870 6.911 -7.897 1.00 0.00 C ATOM 344 C ARG 1 27 -3.604 8.039 -6.898 1.00 0.00 C ATOM 345 O ARG 1 27 -4.218 9.104 -6.967 1.00 0.00 O ATOM 346 CB ARG 1 27 -3.682 5.555 -7.227 1.00 0.00 C ATOM 347 CG ARG 1 27 -4.640 4.486 -7.728 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.768 4.239 -6.739 1.00 0.00 C ATOM 349 NE ARG 1 27 -5.527 3.052 -5.920 1.00 0.00 N ATOM 350 CZ ARG 1 27 -6.479 2.412 -5.246 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.735 2.839 -5.288 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -6.175 1.340 -4.526 1.00 0.00 N ATOM 0 H ARG 1 27 -3.472 6.831 -9.945 1.00 0.00 H new ATOM 0 HA ARG 1 27 -4.900 7.023 -8.235 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -2.658 5.218 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -3.812 5.671 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.057 4.791 -8.688 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -4.094 3.558 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.880 5.109 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.706 4.121 -7.281 1.00 0.00 H new ATOM 0 HE ARG 1 27 -4.574 2.694 -5.862 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.975 3.663 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.460 2.343 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -5.212 1.007 -4.489 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -6.905 0.849 -4.009 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.690 7.789 -5.968 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.339 8.768 -4.943 1.00 0.00 C ATOM 368 C CYS 1 28 -0.826 8.857 -4.756 1.00 0.00 C ATOM 369 O CYS 1 28 -0.344 9.046 -3.639 1.00 0.00 O ATOM 370 CB CYS 1 28 -2.996 8.398 -3.611 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.817 8.381 -3.649 1.00 0.00 S ATOM 0 H CYS 1 28 -2.175 6.911 -5.902 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.705 9.740 -5.274 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.642 7.413 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.667 9.105 -2.849 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.080 8.711 -5.844 1.00 0.00 N ATOM 377 CA CYS 1 29 1.376 8.766 -5.775 1.00 0.00 C ATOM 378 C CYS 1 29 1.915 10.059 -6.377 1.00 0.00 C ATOM 379 O CYS 1 29 1.544 10.441 -7.485 1.00 0.00 O ATOM 380 CB CYS 1 29 1.982 7.565 -6.500 1.00 0.00 C ATOM 381 SG CYS 1 29 1.550 5.957 -5.761 1.00 0.00 S ATOM 0 H CYS 1 29 -0.455 8.555 -6.779 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.661 8.738 -4.723 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.652 7.576 -7.539 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.067 7.669 -6.509 1.00 0.00 H new ATOM 386 N ASN 1 30 2.800 10.725 -5.638 1.00 0.00 N ATOM 387 CA ASN 1 30 3.401 11.972 -6.098 1.00 0.00 C ATOM 388 C ASN 1 30 4.893 11.786 -6.365 1.00 0.00 C ATOM 389 O ASN 1 30 5.622 11.245 -5.530 1.00 0.00 O ATOM 390 CB ASN 1 30 3.185 13.084 -5.070 1.00 0.00 C ATOM 391 CG ASN 1 30 3.728 14.419 -5.541 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.402 14.884 -6.633 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.562 15.043 -4.718 1.00 0.00 N ATOM 0 H ASN 1 30 3.116 10.420 -4.717 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.915 12.259 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.119 13.181 -4.862 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.669 12.808 -4.133 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.960 15.944 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.805 14.621 -3.822 1.00 0.00 H new ATOM 400 N ALA 1 31 5.336 12.236 -7.537 1.00 0.00 N ATOM 401 CA ALA 1 31 6.736 12.123 -7.929 1.00 0.00 C ATOM 402 C ALA 1 31 7.595 13.161 -7.217 1.00 0.00 C ATOM 403 O ALA 1 31 8.710 12.870 -6.783 1.00 0.00 O ATOM 404 CB ALA 1 31 6.869 12.274 -9.436 1.00 0.00 C ATOM 0 H ALA 1 31 4.741 12.684 -8.234 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.092 11.135 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.918 12.188 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.294 11.492 -9.932 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.490 13.250 -9.739 1.00 0.00 H new ATOM 410 N ALA 1 32 7.067 14.374 -7.102 1.00 0.00 N ATOM 411 CA ALA 1 32 7.778 15.464 -6.444 1.00 0.00 C ATOM 412 C ALA 1 32 8.180 15.098 -5.017 1.00 0.00 C ATOM 413 O ALA 1 32 9.032 15.754 -4.418 1.00 0.00 O ATOM 414 CB ALA 1 32 6.918 16.719 -6.440 1.00 0.00 C ATOM 0 H ALA 1 32 6.145 14.628 -7.457 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.692 15.652 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.457 17.528 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.691 17.008 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.989 16.522 -5.904 1.00 0.00 H new ATOM 420 N THR 1 33 7.562 14.053 -4.473 1.00 0.00 N ATOM 421 CA THR 1 33 7.857 13.613 -3.116 1.00 0.00 C ATOM 422 C THR 1 33 8.363 12.179 -3.107 1.00 0.00 C ATOM 423 O THR 1 33 9.001 11.742 -2.150 1.00 0.00 O ATOM 424 CB THR 1 33 6.601 13.704 -2.248 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.925 13.548 -0.878 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.559 12.657 -2.597 1.00 0.00 C ATOM 0 H THR 1 33 6.854 13.496 -4.952 1.00 0.00 H new ATOM 0 HA THR 1 33 8.632 14.265 -2.714 1.00 0.00 H new ATOM 0 HB THR 1 33 6.183 14.692 -2.443 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.143 13.768 -0.330 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.693 12.775 -1.946 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.252 12.781 -3.635 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.983 11.662 -2.460 1.00 0.00 H new ATOM 434 N CYS 1 34 8.039 11.439 -4.161 1.00 0.00 N ATOM 435 CA CYS 1 34 8.427 10.046 -4.248 1.00 0.00 C ATOM 436 C CYS 1 34 7.762 9.279 -3.116 1.00 0.00 C ATOM 437 O CYS 1 34 8.384 8.446 -2.460 1.00 0.00 O ATOM 438 CB CYS 1 34 9.949 9.894 -4.173 1.00 0.00 C ATOM 439 SG CYS 1 34 10.791 9.989 -5.787 1.00 0.00 S ATOM 0 H CYS 1 34 7.510 11.784 -4.962 1.00 0.00 H new ATOM 0 HA CYS 1 34 8.102 9.644 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.349 10.671 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 10.185 8.936 -3.709 1.00 0.00 H new ATOM 444 N LYS 1 35 6.490 9.592 -2.883 1.00 0.00 N ATOM 445 CA LYS 1 35 5.725 8.955 -1.819 1.00 0.00 C ATOM 446 C LYS 1 35 4.235 9.262 -1.965 1.00 0.00 C ATOM 447 O LYS 1 35 3.821 9.946 -2.901 1.00 0.00 O ATOM 448 CB LYS 1 35 6.248 9.421 -0.449 1.00 0.00 C ATOM 449 CG LYS 1 35 5.334 10.397 0.282 1.00 0.00 C ATOM 450 CD LYS 1 35 6.085 11.164 1.358 1.00 0.00 C ATOM 451 CE LYS 1 35 5.212 12.236 1.990 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.071 11.649 2.746 1.00 0.00 N ATOM 0 H LYS 1 35 5.968 10.285 -3.419 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.851 7.875 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.403 8.546 0.183 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 7.222 9.890 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.903 11.098 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.505 9.852 0.734 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.428 10.472 2.127 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.973 11.625 0.925 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 5.816 12.847 2.661 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 4.830 12.898 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.549 12.407 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 3.434 11.157 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 4.432 10.972 3.449 1.00 0.00 H new ATOM 466 N LEU 1 36 3.436 8.751 -1.034 1.00 0.00 N ATOM 467 CA LEU 1 36 1.994 8.968 -1.057 1.00 0.00 C ATOM 468 C LEU 1 36 1.663 10.459 -1.054 1.00 0.00 C ATOM 469 O LEU 1 36 2.289 11.242 -0.340 1.00 0.00 O ATOM 470 CB LEU 1 36 1.340 8.285 0.146 1.00 0.00 C ATOM 471 CG LEU 1 36 1.051 6.795 -0.036 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.057 6.082 1.307 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.282 6.595 -0.742 1.00 0.00 C ATOM 0 H LEU 1 36 3.764 8.183 -0.253 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.600 8.533 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.988 8.411 1.013 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 0.404 8.797 0.371 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.837 6.364 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.849 5.022 1.157 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.034 6.198 1.776 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.292 6.514 1.952 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.473 5.529 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.079 7.041 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.250 7.072 -1.722 1.00 0.00 H new ATOM 485 N THR 1 37 0.675 10.843 -1.857 1.00 0.00 N ATOM 486 CA THR 1 37 0.261 12.239 -1.948 1.00 0.00 C ATOM 487 C THR 1 37 -0.480 12.672 -0.685 1.00 0.00 C ATOM 488 O THR 1 37 -0.959 11.836 0.081 1.00 0.00 O ATOM 489 CB THR 1 37 -0.635 12.450 -3.171 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.859 11.754 -3.021 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.002 11.990 -4.466 1.00 0.00 C ATOM 0 H THR 1 37 0.146 10.207 -2.454 1.00 0.00 H new ATOM 0 HA THR 1 37 1.158 12.849 -2.051 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.796 13.527 -3.228 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -1.829 11.211 -2.206 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.691 12.169 -5.291 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.921 12.544 -4.637 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.221 10.925 -4.404 1.00 0.00 H new ATOM 499 N PRO 1 38 -0.588 13.992 -0.454 1.00 0.00 N ATOM 500 CA PRO 1 38 -1.278 14.534 0.722 1.00 0.00 C ATOM 501 C PRO 1 38 -2.703 14.007 0.844 1.00 0.00 C ATOM 502 O PRO 1 38 -3.500 14.121 -0.087 1.00 0.00 O ATOM 503 CB PRO 1 38 -1.286 16.044 0.471 1.00 0.00 C ATOM 504 CG PRO 1 38 -0.143 16.283 -0.453 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.048 15.058 -1.318 1.00 0.00 C ATOM 0 HA PRO 1 38 -0.785 14.249 1.651 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -2.228 16.366 0.027 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.166 16.600 1.401 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -0.309 17.175 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 0.781 16.441 0.102 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.628 15.166 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.981 14.853 -1.615 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.018 13.428 1.998 1.00 0.00 N ATOM 514 CA GLY 1 39 -4.347 12.890 2.220 1.00 0.00 C ATOM 515 C GLY 1 39 -4.456 11.425 1.837 1.00 0.00 C ATOM 516 O GLY 1 39 -5.557 10.885 1.736 1.00 0.00 O ATOM 0 H GLY 1 39 -2.376 13.322 2.784 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -4.611 13.007 3.271 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.070 13.467 1.643 1.00 0.00 H new ATOM 520 N SER 1 40 -3.312 10.779 1.627 1.00 0.00 N ATOM 521 CA SER 1 40 -3.286 9.369 1.256 1.00 0.00 C ATOM 522 C SER 1 40 -2.574 8.545 2.323 1.00 0.00 C ATOM 523 O SER 1 40 -1.496 8.916 2.790 1.00 0.00 O ATOM 524 CB SER 1 40 -2.591 9.189 -0.095 1.00 0.00 C ATOM 525 OG SER 1 40 -2.876 10.272 -0.963 1.00 0.00 O ATOM 0 H SER 1 40 -2.391 11.210 1.708 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.315 9.017 1.175 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.514 9.112 0.054 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.917 8.256 -0.554 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.477 11.092 -0.605 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.182 7.429 2.709 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.602 6.558 3.727 1.00 0.00 C ATOM 533 C GLN 1 41 -2.194 5.210 3.139 1.00 0.00 C ATOM 534 O GLN 1 41 -1.348 4.512 3.698 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.597 6.346 4.869 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.982 7.629 5.588 1.00 0.00 C ATOM 537 CD GLN 1 41 -5.404 7.598 6.113 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -6.137 8.583 6.012 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.803 6.464 6.677 1.00 0.00 N ATOM 0 H GLN 1 41 -4.074 7.106 2.334 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.707 7.046 4.112 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.498 5.878 4.472 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.167 5.651 5.590 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.296 7.796 6.418 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -3.869 8.472 4.906 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.163 5.673 6.740 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -6.750 6.384 7.048 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.801 4.847 2.015 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.502 3.579 1.361 1.00 0.00 C ATOM 550 C CYS 1 42 -2.876 3.625 -0.115 1.00 0.00 C ATOM 551 O CYS 1 42 -4.055 3.654 -0.468 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.249 2.446 2.052 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.174 1.077 2.594 1.00 0.00 S ATOM 0 H CYS 1 42 -3.503 5.413 1.538 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.429 3.401 1.437 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.776 2.846 2.918 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.005 2.054 1.372 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.864 3.628 -0.971 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.079 3.667 -2.410 1.00 0.00 C ATOM 560 C ASN 1 43 -1.838 2.293 -3.038 1.00 0.00 C ATOM 561 O ASN 1 43 -2.045 2.106 -4.237 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.153 4.712 -3.044 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.162 4.673 -4.561 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -1.854 5.457 -5.208 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.385 3.761 -5.135 1.00 0.00 N ATOM 0 H ASN 1 43 -0.883 3.604 -0.692 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.116 3.945 -2.598 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.453 5.705 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.135 4.551 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.346 3.691 -6.152 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.173 3.131 -4.559 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.405 1.329 -2.225 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.141 -0.024 -2.718 1.00 0.00 C ATOM 574 C TYR 1 44 -0.500 -0.877 -1.626 1.00 0.00 C ATOM 575 O TYR 1 44 0.586 -0.567 -1.137 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.253 0.025 -3.977 1.00 0.00 C ATOM 577 CG TYR 1 44 1.105 -0.630 -3.825 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.221 -2.007 -3.689 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.267 0.132 -3.817 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.455 -2.607 -3.548 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.506 -0.461 -3.678 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.596 -1.831 -3.543 1.00 0.00 C ATOM 583 OH TYR 1 44 4.829 -2.427 -3.404 1.00 0.00 O ATOM 0 H TYR 1 44 -1.230 1.458 -1.228 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.090 -0.486 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.784 -0.458 -4.797 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.108 1.067 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.331 -2.618 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.200 1.205 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.528 -3.679 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.400 0.145 -3.675 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.528 -1.740 -3.422 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.191 -1.943 -1.240 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.693 -2.823 -0.198 1.00 0.00 C ATOM 595 C GLY 1 45 -1.783 -3.719 0.357 1.00 0.00 C ATOM 596 O GLY 1 45 -2.952 -3.573 0.001 1.00 0.00 O ATOM 0 H GLY 1 45 -2.092 -2.215 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 0.113 -3.438 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.269 -2.226 0.609 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.406 -4.649 1.230 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.363 -5.573 1.825 1.00 0.00 C ATOM 602 C GLU 1 46 -3.554 -4.839 2.428 1.00 0.00 C ATOM 603 O GLU 1 46 -4.688 -5.310 2.353 1.00 0.00 O ATOM 604 CB GLU 1 46 -1.683 -6.409 2.906 1.00 0.00 C ATOM 605 CG GLU 1 46 -0.966 -7.636 2.367 1.00 0.00 C ATOM 606 CD GLU 1 46 0.278 -7.980 3.162 1.00 0.00 C ATOM 607 OE1 GLU 1 46 0.148 -8.292 4.364 1.00 0.00 O ATOM 608 OE2 GLU 1 46 1.384 -7.938 2.581 1.00 0.00 O ATOM 0 H GLU 1 46 -0.443 -4.782 1.540 1.00 0.00 H new ATOM 0 HA GLU 1 46 -2.729 -6.222 1.030 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -0.966 -5.785 3.439 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -2.431 -6.726 3.633 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -1.648 -8.486 2.381 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -0.692 -7.464 1.326 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.288 -3.695 3.045 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.341 -2.916 3.682 1.00 0.00 C ATOM 617 C CYS 1 47 -4.831 -1.771 2.800 1.00 0.00 C ATOM 618 O CYS 1 47 -5.885 -1.193 3.061 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.839 -2.359 5.012 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.112 -3.467 6.428 1.00 0.00 S ATOM 0 H CYS 1 47 -2.356 -3.287 3.118 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.185 -3.586 3.848 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.773 -2.150 4.927 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.335 -1.408 5.207 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.064 -1.423 1.775 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.442 -0.323 0.899 1.00 0.00 C ATOM 627 C CYS 1 48 -5.669 -0.647 0.057 1.00 0.00 C ATOM 628 O CYS 1 48 -5.837 -1.766 -0.427 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.270 0.072 0.004 1.00 0.00 C ATOM 630 SG CYS 1 48 -1.682 0.135 0.881 1.00 0.00 S ATOM 0 H CYS 1 48 -3.186 -1.881 1.532 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.705 0.520 1.538 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.194 -0.640 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.472 1.048 -0.437 1.00 0.00 H new ATOM 635 N ASP 1 49 -6.520 0.361 -0.106 1.00 0.00 N ATOM 636 CA ASP 1 49 -7.745 0.232 -0.882 1.00 0.00 C ATOM 637 C ASP 1 49 -8.496 1.560 -0.901 1.00 0.00 C ATOM 638 O ASP 1 49 -8.896 2.073 0.144 1.00 0.00 O ATOM 639 CB ASP 1 49 -8.635 -0.867 -0.297 1.00 0.00 C ATOM 640 CG ASP 1 49 -9.313 -1.694 -1.371 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.250 -1.177 -2.016 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -8.909 -2.860 -1.567 1.00 0.00 O ATOM 0 H ASP 1 49 -6.379 1.288 0.296 1.00 0.00 H new ATOM 0 HA ASP 1 49 -7.482 -0.041 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.033 -1.520 0.335 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.393 -0.415 0.342 1.00 0.00 H new ATOM 647 N GLN 1 50 -8.677 2.117 -2.094 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.375 3.391 -2.247 1.00 0.00 C ATOM 649 C GLN 1 50 -8.540 4.545 -1.694 1.00 0.00 C ATOM 650 O GLN 1 50 -9.081 5.558 -1.253 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.734 3.347 -1.544 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.818 4.130 -2.267 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.767 3.235 -3.039 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.849 2.033 -2.786 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.492 3.818 -3.987 1.00 0.00 N ATOM 0 H GLN 1 50 -8.351 1.707 -2.969 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.532 3.559 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.050 2.308 -1.448 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.624 3.742 -0.534 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.384 4.714 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.353 4.838 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.392 4.818 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.149 3.266 -4.539 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.217 4.385 -1.726 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.301 5.415 -1.235 1.00 0.00 C ATOM 666 C CYS 1 51 -6.317 5.507 0.294 1.00 0.00 C ATOM 667 O CYS 1 51 -5.708 6.409 0.873 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.656 6.775 -1.843 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.331 8.019 -1.718 1.00 0.00 S ATOM 0 H CYS 1 51 -6.755 3.551 -2.087 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.294 5.132 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -6.910 6.635 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -7.548 7.160 -1.348 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.007 4.572 0.945 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.086 4.561 2.403 1.00 0.00 C ATOM 676 C ARG 1 52 -6.878 3.150 2.945 1.00 0.00 C ATOM 677 O ARG 1 52 -7.052 2.168 2.223 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.439 5.103 2.866 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.866 6.370 2.143 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.941 7.533 2.462 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.489 8.398 3.504 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.591 9.130 3.357 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.265 9.104 2.214 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -10.021 9.889 4.355 1.00 0.00 N ATOM 0 H ARG 1 52 -7.517 3.816 0.488 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.295 5.202 2.791 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.199 4.336 2.717 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.394 5.303 3.937 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.871 6.192 1.068 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.886 6.627 2.428 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.972 7.149 2.782 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.769 8.118 1.558 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.998 8.444 4.397 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.939 8.521 1.443 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.109 9.667 2.107 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -9.507 9.912 5.236 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -10.865 10.450 4.242 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.503 3.053 4.218 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.274 1.754 4.841 1.00 0.00 C ATOM 700 C PHE 1 53 -7.552 0.939 4.886 1.00 0.00 C ATOM 701 O PHE 1 53 -8.655 1.485 4.912 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.730 1.908 6.265 1.00 0.00 C ATOM 703 CG PHE 1 53 -4.292 2.328 6.333 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.430 2.091 5.275 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -3.798 2.951 7.467 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -2.109 2.469 5.347 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -2.474 3.333 7.543 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.627 3.091 6.480 1.00 0.00 C ATOM 0 H PHE 1 53 -6.352 3.852 4.834 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.535 1.234 4.231 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -6.336 2.642 6.796 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.845 0.960 6.790 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.799 1.604 4.384 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -4.457 3.140 8.302 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.448 2.278 4.515 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -2.101 3.820 8.432 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.590 3.388 6.535 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.391 -0.374 4.909 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.530 -1.275 4.968 1.00 0.00 C ATOM 720 C LYS 1 54 -9.085 -1.321 6.387 1.00 0.00 C ATOM 721 O LYS 1 54 -8.523 -1.983 7.256 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.126 -2.678 4.510 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.618 -3.021 3.114 1.00 0.00 C ATOM 724 CD LYS 1 54 -7.619 -3.887 2.366 1.00 0.00 C ATOM 725 CE LYS 1 54 -7.942 -3.955 0.883 1.00 0.00 C ATOM 726 NZ LYS 1 54 -7.888 -5.350 0.365 1.00 0.00 N ATOM 0 H LYS 1 54 -6.483 -0.839 4.888 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.305 -0.904 4.298 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.040 -2.762 4.535 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.519 -3.410 5.216 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.573 -3.542 3.182 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -8.795 -2.103 2.554 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -6.615 -3.486 2.503 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -7.621 -4.893 2.786 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.935 -3.542 0.709 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.237 -3.335 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.114 -5.352 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -6.933 -5.737 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -8.579 -5.937 0.875 1.00 0.00 H new ATOM 740 N LYS 1 55 -10.184 -0.604 6.616 1.00 0.00 N ATOM 741 CA LYS 1 55 -10.818 -0.549 7.937 1.00 0.00 C ATOM 742 C LYS 1 55 -10.594 -1.839 8.720 1.00 0.00 C ATOM 743 O LYS 1 55 -10.887 -2.933 8.230 1.00 0.00 O ATOM 744 CB LYS 1 55 -12.318 -0.283 7.792 1.00 0.00 C ATOM 745 CG LYS 1 55 -13.033 -0.098 9.120 1.00 0.00 C ATOM 746 CD LYS 1 55 -14.169 0.906 9.005 1.00 0.00 C ATOM 747 CE LYS 1 55 -14.992 0.963 10.281 1.00 0.00 C ATOM 748 NZ LYS 1 55 -14.491 2.005 11.220 1.00 0.00 N ATOM 0 H LYS 1 55 -10.657 -0.050 5.902 1.00 0.00 H new ATOM 0 HA LYS 1 55 -10.356 0.267 8.492 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -12.463 0.609 7.183 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.776 -1.114 7.255 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -13.426 -1.056 9.460 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -12.322 0.240 9.874 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.763 1.894 8.788 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -14.812 0.635 8.168 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -16.033 1.169 10.032 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -14.968 -0.010 10.772 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -15.079 2.011 12.078 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.506 1.795 11.478 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -14.538 2.937 10.761 1.00 0.00 H new ATOM 762 N ALA 1 56 -10.060 -1.707 9.936 1.00 0.00 N ATOM 763 CA ALA 1 56 -9.788 -2.863 10.779 1.00 0.00 C ATOM 764 C ALA 1 56 -10.914 -3.876 10.683 1.00 0.00 C ATOM 765 O ALA 1 56 -12.089 -3.527 10.792 1.00 0.00 O ATOM 766 CB ALA 1 56 -9.586 -2.451 12.223 1.00 0.00 C ATOM 0 H ALA 1 56 -9.809 -0.811 10.354 1.00 0.00 H new ATOM 0 HA ALA 1 56 -8.868 -3.324 10.419 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -9.385 -3.335 12.829 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.742 -1.765 12.291 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -10.486 -1.957 12.590 1.00 0.00 H new ATOM 772 N GLY 1 57 -10.549 -5.122 10.453 1.00 0.00 N ATOM 773 CA GLY 1 57 -11.548 -6.161 10.315 1.00 0.00 C ATOM 774 C GLY 1 57 -11.556 -6.734 8.916 1.00 0.00 C ATOM 775 O GLY 1 57 -12.159 -7.778 8.665 1.00 0.00 O ATOM 0 H GLY 1 57 -9.583 -5.436 10.359 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -11.351 -6.956 11.034 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -12.532 -5.755 10.550 1.00 0.00 H new ATOM 779 N THR 1 58 -10.863 -6.054 8.006 1.00 0.00 N ATOM 780 CA THR 1 58 -10.760 -6.504 6.629 1.00 0.00 C ATOM 781 C THR 1 58 -9.726 -7.620 6.533 1.00 0.00 C ATOM 782 O THR 1 58 -8.552 -7.414 6.840 1.00 0.00 O ATOM 783 CB THR 1 58 -10.358 -5.339 5.725 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.367 -4.345 5.706 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.097 -5.756 4.296 1.00 0.00 C ATOM 0 H THR 1 58 -10.364 -5.186 8.203 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.729 -6.882 6.302 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.432 -4.951 6.149 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -11.285 -3.781 6.503 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -9.816 -4.882 3.708 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.287 -6.485 4.272 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -10.999 -6.201 3.876 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.163 -8.804 6.123 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.259 -9.941 6.015 1.00 0.00 C ATOM 795 C VAL 1 59 -8.396 -9.860 4.758 1.00 0.00 C ATOM 796 O VAL 1 59 -8.911 -9.810 3.641 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.026 -11.280 6.009 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -10.968 -11.353 4.816 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.057 -12.453 6.004 1.00 0.00 C ATOM 0 H VAL 1 59 -11.129 -9.001 5.862 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.615 -9.901 6.893 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.624 -11.337 6.919 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.499 -12.305 4.830 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.687 -10.535 4.869 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -10.394 -11.272 3.893 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.617 -13.388 6.000 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.429 -12.402 5.115 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.429 -12.410 6.894 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.080 -9.853 4.951 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.144 -9.784 3.827 1.00 0.00 C ATOM 811 C CYS 1 60 -5.439 -11.122 3.594 1.00 0.00 C ATOM 812 O CYS 1 60 -4.931 -11.381 2.503 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.099 -8.697 4.069 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.795 -7.087 4.560 1.00 0.00 S ATOM 0 H CYS 1 60 -6.637 -9.894 5.869 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.726 -9.543 2.937 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.413 -9.035 4.845 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.512 -8.564 3.160 1.00 0.00 H new ATOM 819 N ARG 1 61 -5.400 -11.964 4.623 1.00 0.00 N ATOM 820 CA ARG 1 61 -4.744 -13.270 4.524 1.00 0.00 C ATOM 821 C ARG 1 61 -5.360 -14.279 5.495 1.00 0.00 C ATOM 822 O ARG 1 61 -6.023 -13.908 6.461 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.240 -13.134 4.800 1.00 0.00 C ATOM 824 CG ARG 1 61 -2.411 -14.288 4.255 1.00 0.00 C ATOM 825 CD ARG 1 61 -0.947 -13.902 4.077 1.00 0.00 C ATOM 826 NE ARG 1 61 -0.397 -13.241 5.261 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.367 -11.922 5.434 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.832 -11.105 4.497 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.134 -11.415 6.553 1.00 0.00 N ATOM 0 H ARG 1 61 -5.813 -11.768 5.535 1.00 0.00 H new ATOM 0 HA ARG 1 61 -4.893 -13.639 3.509 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -2.882 -12.202 4.362 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.082 -13.061 5.876 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -2.482 -15.138 4.933 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -2.821 -14.609 3.297 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -0.362 -14.796 3.858 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -0.851 -13.240 3.217 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.012 -13.829 6.001 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.218 -11.487 3.633 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.804 -10.096 4.641 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.495 -12.036 7.277 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.159 -10.404 6.689 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.130 -15.561 5.228 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.645 -16.634 6.069 1.00 0.00 C ATOM 845 C ILE 1 62 -4.783 -17.876 5.915 1.00 0.00 C ATOM 846 O ILE 1 62 -4.553 -18.351 4.803 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.103 -17.015 5.731 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.980 -15.773 5.578 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.669 -17.931 6.805 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.772 -15.048 4.270 1.00 0.00 C ATOM 0 H ILE 1 62 -4.585 -15.883 4.428 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.618 -16.260 7.093 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.101 -17.543 4.778 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.027 -16.065 5.661 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.774 -15.088 6.401 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.697 -18.192 6.555 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.068 -18.838 6.863 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.648 -17.420 7.767 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.426 -14.177 4.229 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.733 -14.726 4.194 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.006 -15.717 3.442 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.309 -18.397 7.033 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.469 -19.587 7.023 1.00 0.00 C ATOM 864 C ALA 1 63 -4.137 -20.714 6.244 1.00 0.00 C ATOM 865 O ALA 1 63 -3.655 -21.120 5.187 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.149 -20.027 8.444 1.00 0.00 C ATOM 0 H ALA 1 63 -4.490 -18.016 7.962 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.532 -19.341 6.523 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.521 -20.917 8.416 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.621 -19.226 8.963 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.075 -20.253 8.972 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.256 -21.205 6.767 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.002 -22.281 6.113 1.00 0.00 C ATOM 874 C ARG 1 64 -7.136 -22.794 6.999 1.00 0.00 C ATOM 875 O ARG 1 64 -7.080 -23.912 7.512 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.066 -23.439 5.739 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.204 -23.888 4.293 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.769 -22.798 3.327 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.267 -23.035 1.974 1.00 0.00 N ATOM 880 CZ ARG 1 64 -4.804 -23.990 1.170 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -3.833 -24.797 1.578 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -5.314 -24.137 -0.045 1.00 0.00 N ATOM 0 H ARG 1 64 -5.668 -20.877 7.641 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.440 -21.869 5.204 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.035 -23.135 5.920 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.269 -24.286 6.395 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.602 -24.782 4.130 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.240 -24.161 4.093 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.131 -21.833 3.683 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -3.681 -22.743 3.308 1.00 0.00 H new ATOM 0 HE ARG 1 64 -6.013 -22.434 1.625 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -3.437 -24.687 2.512 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -3.482 -25.527 0.958 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -6.060 -23.519 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -4.960 -24.868 -0.662 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.169 -21.977 7.169 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.298 -22.379 7.986 1.00 0.00 C ATOM 898 C GLY 1 65 -9.940 -21.216 8.714 1.00 0.00 C ATOM 899 O GLY 1 65 -10.522 -20.327 8.092 1.00 0.00 O ATOM 0 H GLY 1 65 -8.245 -21.047 6.757 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.043 -22.863 7.355 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.968 -23.120 8.714 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.833 -21.228 10.036 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.406 -20.172 10.862 1.00 0.00 C ATOM 905 C ASP 1 66 -9.889 -20.266 12.293 1.00 0.00 C ATOM 906 O ASP 1 66 -10.543 -20.834 13.168 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.933 -20.257 10.851 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.552 -19.400 9.764 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.227 -18.196 9.701 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.362 -19.933 8.977 1.00 0.00 O ATOM 0 H ASP 1 66 -9.353 -21.959 10.561 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.102 -19.212 10.445 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.235 -21.294 10.708 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.319 -19.943 11.821 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.707 -19.706 12.520 1.00 0.00 N ATOM 916 CA TRP 1 67 -8.086 -19.721 13.841 1.00 0.00 C ATOM 917 C TRP 1 67 -7.855 -18.299 14.335 1.00 0.00 C ATOM 918 O TRP 1 67 -8.509 -17.834 15.269 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.751 -20.479 13.787 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.311 -20.821 12.395 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.890 -19.954 11.426 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.255 -22.126 11.816 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.585 -20.642 10.280 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.796 -21.978 10.495 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.548 -23.406 12.288 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.625 -23.063 9.641 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.378 -24.484 11.441 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.919 -24.307 10.129 1.00 0.00 C ATOM 0 H TRP 1 67 -8.156 -19.233 11.803 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.757 -20.228 14.535 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.980 -19.874 14.265 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.841 -21.398 14.367 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.809 -18.884 11.546 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.255 -20.226 9.409 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.902 -23.551 13.298 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.273 -22.928 8.629 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.602 -25.479 11.796 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.795 -25.169 9.491 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.928 -17.617 13.683 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.597 -16.237 14.020 1.00 0.00 C ATOM 941 C ASN 1 68 -6.927 -15.322 12.852 1.00 0.00 C ATOM 942 O ASN 1 68 -7.368 -14.188 13.038 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.113 -16.098 14.362 1.00 0.00 C ATOM 944 CG ASN 1 68 -4.545 -17.329 15.042 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -4.346 -17.347 16.256 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -4.280 -18.368 14.257 1.00 0.00 N ATOM 0 H ASN 1 68 -6.385 -17.999 12.909 1.00 0.00 H new ATOM 0 HA ASN 1 68 -7.188 -15.953 14.891 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.552 -15.903 13.448 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.975 -15.234 15.012 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.896 -19.224 14.657 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.461 -18.309 13.255 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.708 -15.833 11.644 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.978 -15.080 10.429 1.00 0.00 C ATOM 955 C ASP 1 69 -6.103 -13.844 10.333 1.00 0.00 C ATOM 956 O ASP 1 69 -5.459 -13.441 11.302 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.437 -14.650 10.387 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.338 -15.696 9.760 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.429 -16.811 10.317 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.951 -15.402 8.712 1.00 0.00 O ATOM 0 H ASP 1 69 -6.342 -16.771 11.483 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.756 -15.736 9.587 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.779 -14.442 11.401 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.521 -13.720 9.825 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.116 -13.229 9.160 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.359 -12.015 8.929 1.00 0.00 C ATOM 967 C ASP 1 70 -6.314 -10.858 8.748 1.00 0.00 C ATOM 968 O ASP 1 70 -7.208 -10.915 7.907 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.463 -12.152 7.703 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.484 -11.006 7.584 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.824 -9.891 8.029 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.381 -11.224 7.047 1.00 0.00 O ATOM 0 H ASP 1 70 -6.646 -13.555 8.352 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.719 -11.832 9.792 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.915 -13.092 7.758 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.081 -12.195 6.806 1.00 0.00 H new ATOM 977 N TYR 1 71 -6.151 -9.823 9.555 1.00 0.00 N ATOM 978 CA TYR 1 71 -7.046 -8.686 9.481 1.00 0.00 C ATOM 979 C TYR 1 71 -6.333 -7.356 9.604 1.00 0.00 C ATOM 980 O TYR 1 71 -5.448 -7.178 10.439 1.00 0.00 O ATOM 981 CB TYR 1 71 -8.087 -8.800 10.578 1.00 0.00 C ATOM 982 CG TYR 1 71 -9.164 -9.794 10.258 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -10.156 -9.469 9.358 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -9.190 -11.048 10.851 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -11.157 -10.356 9.047 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -10.186 -11.952 10.550 1.00 0.00 C ATOM 987 CZ TYR 1 71 -11.173 -11.603 9.645 1.00 0.00 C ATOM 988 OH TYR 1 71 -12.172 -12.499 9.340 1.00 0.00 O ATOM 0 H TYR 1 71 -5.417 -9.748 10.259 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.510 -8.707 8.495 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -7.598 -9.089 11.508 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -8.539 -7.823 10.746 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -10.146 -8.497 8.888 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -8.420 -11.319 11.558 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.926 -10.082 8.340 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -10.196 -12.926 11.017 1.00 0.00 H new ATOM 0 HH TYR 1 71 -12.034 -13.327 9.846 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.758 -6.415 8.774 1.00 0.00 N ATOM 999 CA CYS 1 72 -6.197 -5.077 8.785 1.00 0.00 C ATOM 1000 C CYS 1 72 -6.494 -4.396 10.115 1.00 0.00 C ATOM 1001 O CYS 1 72 -7.372 -4.832 10.861 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.778 -4.255 7.637 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.822 -2.755 7.248 1.00 0.00 S ATOM 0 H CYS 1 72 -7.494 -6.557 8.082 1.00 0.00 H new ATOM 0 HA CYS 1 72 -5.117 -5.148 8.658 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.833 -4.881 6.746 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.799 -3.968 7.888 1.00 0.00 H new ATOM 1008 N THR 1 73 -5.758 -3.331 10.411 1.00 0.00 N ATOM 1009 CA THR 1 73 -5.947 -2.599 11.658 1.00 0.00 C ATOM 1010 C THR 1 73 -6.278 -1.129 11.396 1.00 0.00 C ATOM 1011 O THR 1 73 -6.276 -0.312 12.316 1.00 0.00 O ATOM 1012 CB THR 1 73 -4.692 -2.709 12.527 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -3.726 -1.748 12.139 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -4.038 -4.073 12.457 1.00 0.00 C ATOM 0 H THR 1 73 -5.027 -2.956 9.807 1.00 0.00 H new ATOM 0 HA THR 1 73 -6.790 -3.045 12.186 1.00 0.00 H new ATOM 0 HB THR 1 73 -5.030 -2.536 13.549 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -2.932 -1.834 12.708 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -3.154 -4.086 13.095 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -4.742 -4.832 12.797 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -3.746 -4.284 11.428 1.00 0.00 H new ATOM 1022 N GLY 1 74 -6.563 -0.799 10.137 1.00 0.00 N ATOM 1023 CA GLY 1 74 -6.894 0.570 9.781 1.00 0.00 C ATOM 1024 C GLY 1 74 -5.876 1.573 10.290 1.00 0.00 C ATOM 1025 O GLY 1 74 -6.199 2.743 10.493 1.00 0.00 O ATOM 0 H GLY 1 74 -6.570 -1.457 9.357 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.966 0.651 8.696 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -7.875 0.818 10.185 1.00 0.00 H new ATOM 1029 N LYS 1 75 -4.645 1.116 10.500 1.00 0.00 N ATOM 1030 CA LYS 1 75 -3.585 1.988 10.991 1.00 0.00 C ATOM 1031 C LYS 1 75 -2.268 1.745 10.255 1.00 0.00 C ATOM 1032 O LYS 1 75 -1.223 2.253 10.661 1.00 0.00 O ATOM 1033 CB LYS 1 75 -3.383 1.779 12.493 1.00 0.00 C ATOM 1034 CG LYS 1 75 -4.619 2.085 13.323 1.00 0.00 C ATOM 1035 CD LYS 1 75 -4.696 1.198 14.555 1.00 0.00 C ATOM 1036 CE LYS 1 75 -3.751 1.676 15.646 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -2.339 1.299 15.363 1.00 0.00 N ATOM 0 H LYS 1 75 -4.358 0.151 10.338 1.00 0.00 H new ATOM 0 HA LYS 1 75 -3.892 3.017 10.803 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -3.083 0.746 12.670 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -2.563 2.411 12.832 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -4.604 3.132 13.627 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -5.512 1.942 12.714 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -5.718 1.189 14.935 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -4.449 0.172 14.282 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -3.825 2.759 15.741 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -4.056 1.250 16.602 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -1.839 1.130 16.259 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -2.320 0.433 14.787 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -1.871 2.070 14.845 1.00 0.00 H new ATOM 1051 N SER 1 76 -2.315 0.968 9.174 1.00 0.00 N ATOM 1052 CA SER 1 76 -1.111 0.676 8.403 1.00 0.00 C ATOM 1053 C SER 1 76 -1.448 -0.010 7.081 1.00 0.00 C ATOM 1054 O SER 1 76 -2.586 -0.420 6.852 1.00 0.00 O ATOM 1055 CB SER 1 76 -0.164 -0.207 9.218 1.00 0.00 C ATOM 1056 OG SER 1 76 1.160 -0.131 8.719 1.00 0.00 O ATOM 0 H SER 1 76 -3.166 0.534 8.816 1.00 0.00 H new ATOM 0 HA SER 1 76 -0.621 1.624 8.179 1.00 0.00 H new ATOM 0 HB2 SER 1 76 -0.181 0.104 10.263 1.00 0.00 H new ATOM 0 HB3 SER 1 76 -0.509 -1.241 9.187 1.00 0.00 H new ATOM 0 HG SER 1 76 1.746 -0.703 9.258 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.442 -0.133 6.220 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.610 -0.774 4.918 1.00 0.00 C ATOM 1064 C SER 1 77 -0.338 -2.271 5.005 1.00 0.00 C ATOM 1065 O SER 1 77 -0.232 -2.951 3.982 1.00 0.00 O ATOM 1066 CB SER 1 77 0.337 -0.141 3.897 1.00 0.00 C ATOM 1067 OG SER 1 77 1.687 -0.463 4.185 1.00 0.00 O ATOM 0 H SER 1 77 0.503 0.205 6.401 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.642 -0.627 4.600 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.083 -0.489 2.896 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.209 0.942 3.900 1.00 0.00 H new ATOM 0 HG SER 1 77 2.272 -0.048 3.517 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.224 -2.781 6.226 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.044 -4.197 6.434 1.00 0.00 C ATOM 1075 C ASP 1 78 -1.112 -4.882 7.151 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.791 -4.282 7.984 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.334 -4.380 7.236 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.558 -4.478 6.347 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.718 -3.614 5.460 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.357 -5.419 6.539 1.00 0.00 O ATOM 0 H ASP 1 78 -0.313 -2.236 7.084 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.159 -4.661 5.454 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.453 -3.542 7.923 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.256 -5.282 7.843 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.324 -6.146 6.813 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.392 -6.941 7.405 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.816 -8.139 8.162 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.348 -9.095 7.546 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.330 -7.432 6.302 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.020 -6.768 6.409 1.00 0.00 S ATOM 0 H CYS 1 79 -0.764 -6.648 6.124 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.944 -6.319 8.110 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.907 -7.163 5.334 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.376 -8.520 6.338 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.839 -8.111 9.506 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.315 -9.214 10.322 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.191 -10.463 10.232 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.403 -10.391 10.425 1.00 0.00 O ATOM 1099 CB PRO 1 80 -1.344 -8.644 11.743 1.00 0.00 C ATOM 1100 CG PRO 1 80 -2.418 -7.613 11.712 1.00 0.00 C ATOM 1101 CD PRO 1 80 -2.373 -7.014 10.334 1.00 0.00 C ATOM 0 HA PRO 1 80 -0.325 -9.533 9.995 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -1.561 -9.420 12.477 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.383 -8.207 12.015 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -3.393 -8.058 11.913 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -2.251 -6.852 12.474 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -3.362 -6.701 9.999 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -1.731 -6.134 10.299 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.569 -11.604 9.931 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.297 -12.871 9.805 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.368 -13.637 11.122 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.179 -14.549 11.282 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.677 -13.749 8.722 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.231 -14.092 8.929 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.643 -13.580 9.849 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.506 -15.041 8.168 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.883 -14.153 9.687 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.819 -15.057 8.659 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.168 -15.877 7.113 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.800 -15.883 8.120 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 1.136 -16.700 6.576 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.441 -16.698 7.079 1.00 0.00 C ATOM 0 H TRP 1 81 -0.565 -11.679 9.770 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.318 -12.616 9.519 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.248 -14.675 8.656 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.780 -13.242 7.762 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.396 -12.836 10.592 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.713 -13.940 10.241 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.837 -15.883 6.719 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.808 -15.882 8.508 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.883 -17.355 5.756 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 3.180 -17.351 6.638 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.521 -13.256 12.055 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.476 -13.890 13.369 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.174 -15.381 13.251 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.925 -16.219 13.750 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.803 -13.681 14.102 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.963 -12.263 14.616 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.955 -12.024 15.824 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.109 -11.314 13.699 1.00 0.00 N ATOM 0 H ASN 1 82 -0.845 -12.502 11.932 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.673 -13.424 13.941 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.628 -13.916 13.429 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.866 -14.377 14.938 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.220 -10.341 13.985 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.110 -11.558 12.709 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.068 -15.705 12.590 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.333 -17.095 12.409 1.00 0.00 C ATOM 1149 C HIS 1 83 1.843 -17.252 12.563 1.00 0.00 C ATOM 1150 O HIS 1 83 2.322 -18.405 12.542 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.106 -17.599 11.034 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.553 -17.350 10.745 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.002 -16.815 9.558 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.657 -17.565 11.498 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.318 -16.710 9.594 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.741 -17.160 10.760 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.532 -16.220 12.702 1.00 0.00 O ATOM 0 H HIS 1 83 0.566 -15.025 12.171 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.156 -17.691 13.180 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.499 -17.115 10.267 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.092 -18.669 10.967 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.410 -16.542 8.773 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.681 -17.979 12.495 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.942 -16.322 8.803 1.00 0.00 H new TER 1166 HIS 1 83