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 :FLIP amide:sc= -0.767 F(o=-12!,f=-10) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -9.52! C(o=-13!,f=-10!) USER MOD Single : 1 1 SER N :NH3+ 143:sc= 0.898 (180deg=0.257) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -2.52 X(o=-2.5,f=-2.8) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.5!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.0446 K(o=-0.045,f=-4.7!) USER MOD Single : 1 25 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.2!) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.685 F(o=-5.2!,f=-0.69) USER MOD Single : 1 33 THR OG1 : rot -34:sc= 0.0257 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -139:sc= 0.913 USER MOD Single : 1 40 SER OG : rot 31:sc= -1.33 USER MOD Single : 1 41 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : 1 43 ASN : amide:sc= -2.61 K(o=-2.6,f=-5.6!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ -156:sc=-0.00856 (180deg=-0.449) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.442 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -160:sc= -1.73 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 29:sc= 0.00984 USER MOD Single : 1 77 SER OG : rot 161:sc= 0.216 USER MOD Single : 1 82 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 11.296 -3.536 -10.898 1.00 0.00 N ATOM 2 CA SER 1 1 12.364 -2.655 -11.439 1.00 0.00 C ATOM 3 C SER 1 1 13.193 -2.039 -10.314 1.00 0.00 C ATOM 4 O SER 1 1 12.770 -2.020 -9.158 1.00 0.00 O ATOM 5 CB SER 1 1 11.710 -1.555 -12.277 1.00 0.00 C ATOM 6 OG SER 1 1 11.790 -1.852 -13.661 1.00 0.00 O ATOM 0 H1 SER 1 1 10.440 -3.441 -11.480 1.00 0.00 H new ATOM 0 H2 SER 1 1 11.619 -4.524 -10.916 1.00 0.00 H new ATOM 0 H3 SER 1 1 11.081 -3.260 -9.919 1.00 0.00 H new ATOM 0 HA SER 1 1 13.039 -3.247 -12.057 1.00 0.00 H new ATOM 0 HB2 SER 1 1 10.666 -1.444 -11.986 1.00 0.00 H new ATOM 0 HB3 SER 1 1 12.200 -0.602 -12.078 1.00 0.00 H new ATOM 0 HG SER 1 1 11.363 -1.135 -14.175 1.00 0.00 H new ATOM 14 N PRO 1 2 14.393 -1.527 -10.640 1.00 0.00 N ATOM 15 CA PRO 1 2 15.283 -0.910 -9.650 1.00 0.00 C ATOM 16 C PRO 1 2 14.594 0.202 -8.863 1.00 0.00 C ATOM 17 O PRO 1 2 13.511 0.655 -9.232 1.00 0.00 O ATOM 18 CB PRO 1 2 16.422 -0.337 -10.499 1.00 0.00 C ATOM 19 CG PRO 1 2 16.413 -1.149 -11.747 1.00 0.00 C ATOM 20 CD PRO 1 2 14.975 -1.511 -11.994 1.00 0.00 C ATOM 0 HA PRO 1 2 15.614 -1.628 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 16.262 0.720 -10.714 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 17.379 -0.416 -9.983 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 16.822 -0.583 -12.584 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 17.027 -2.043 -11.636 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 14.481 -0.782 -12.636 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 14.882 -2.481 -12.483 1.00 0.00 H new ATOM 28 N PRO 1 3 15.218 0.659 -7.762 1.00 0.00 N ATOM 29 CA PRO 1 3 14.678 1.715 -6.917 1.00 0.00 C ATOM 30 C PRO 1 3 15.086 3.100 -7.404 1.00 0.00 C ATOM 31 O PRO 1 3 16.073 3.666 -6.934 1.00 0.00 O ATOM 32 CB PRO 1 3 15.304 1.424 -5.542 1.00 0.00 C ATOM 33 CG PRO 1 3 16.318 0.336 -5.757 1.00 0.00 C ATOM 34 CD PRO 1 3 16.500 0.191 -7.243 1.00 0.00 C ATOM 0 HA PRO 1 3 13.588 1.721 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.775 2.318 -5.133 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.543 1.110 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.263 0.589 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.977 -0.601 -5.317 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.331 0.792 -7.611 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.702 -0.841 -7.529 1.00 0.00 H new ATOM 42 N VAL 1 4 14.326 3.642 -8.352 1.00 0.00 N ATOM 43 CA VAL 1 4 14.617 4.963 -8.899 1.00 0.00 C ATOM 44 C VAL 1 4 13.458 5.928 -8.688 1.00 0.00 C ATOM 45 O VAL 1 4 12.380 5.752 -9.255 1.00 0.00 O ATOM 46 CB VAL 1 4 14.948 4.892 -10.404 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.451 4.792 -10.614 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.234 3.720 -11.059 1.00 0.00 C ATOM 0 H VAL 1 4 13.507 3.188 -8.756 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.488 5.334 -8.359 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.595 5.809 -10.876 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.667 4.743 -11.681 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.937 5.668 -10.185 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.828 3.893 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.482 3.690 -12.120 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.550 2.791 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.157 3.839 -10.942 1.00 0.00 H new ATOM 58 N CYS 1 5 13.695 6.964 -7.889 1.00 0.00 N ATOM 59 CA CYS 1 5 12.675 7.970 -7.633 1.00 0.00 C ATOM 60 C CYS 1 5 12.649 8.946 -8.798 1.00 0.00 C ATOM 61 O CYS 1 5 13.573 9.739 -8.979 1.00 0.00 O ATOM 62 CB CYS 1 5 12.962 8.714 -6.324 1.00 0.00 C ATOM 63 SG CYS 1 5 11.768 8.372 -4.991 1.00 0.00 S ATOM 0 H CYS 1 5 14.581 7.127 -7.411 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.704 7.484 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.961 8.446 -5.979 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 12.970 9.786 -6.523 1.00 0.00 H new ATOM 68 N GLY 1 6 11.609 8.852 -9.611 1.00 0.00 N ATOM 69 CA GLY 1 6 11.508 9.699 -10.778 1.00 0.00 C ATOM 70 C GLY 1 6 11.726 8.894 -12.042 1.00 0.00 C ATOM 71 O GLY 1 6 12.207 9.409 -13.051 1.00 0.00 O ATOM 0 H GLY 1 6 10.832 8.203 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.526 10.172 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.246 10.499 -10.718 1.00 0.00 H new ATOM 75 N ASN 1 7 11.367 7.616 -11.968 1.00 0.00 N ATOM 76 CA ASN 1 7 11.512 6.695 -13.083 1.00 0.00 C ATOM 77 C ASN 1 7 10.189 5.991 -13.354 1.00 0.00 C ATOM 78 O ASN 1 7 10.107 5.095 -14.194 1.00 0.00 O ATOM 79 CB ASN 1 7 12.593 5.660 -12.765 1.00 0.00 C ATOM 80 CG ASN 1 7 13.963 6.082 -13.260 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.438 7.175 -12.950 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.605 5.216 -14.036 1.00 0.00 N ATOM 0 H ASN 1 7 10.967 7.192 -11.131 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.804 7.257 -13.970 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.633 5.500 -11.688 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.324 4.706 -13.219 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.530 5.446 -14.400 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.173 4.321 -14.267 1.00 0.00 H new ATOM 89 N LYS 1 8 9.156 6.400 -12.620 1.00 0.00 N ATOM 90 CA LYS 1 8 7.833 5.815 -12.752 1.00 0.00 C ATOM 91 C LYS 1 8 7.783 4.442 -12.091 1.00 0.00 C ATOM 92 O LYS 1 8 6.906 3.631 -12.389 1.00 0.00 O ATOM 93 CB LYS 1 8 7.422 5.705 -14.224 1.00 0.00 C ATOM 94 CG LYS 1 8 7.730 6.950 -15.040 1.00 0.00 C ATOM 95 CD LYS 1 8 8.000 6.608 -16.496 1.00 0.00 C ATOM 96 CE LYS 1 8 7.795 7.814 -17.399 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.724 7.427 -18.835 1.00 0.00 N ATOM 0 H LYS 1 8 9.216 7.142 -11.923 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.127 6.474 -12.247 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.933 4.853 -14.672 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.353 5.501 -14.279 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.892 7.644 -14.977 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 8.597 7.458 -14.618 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 9.021 6.243 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 7.339 5.801 -16.810 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.876 8.328 -17.116 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 8.613 8.520 -17.253 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.584 8.277 -19.417 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 8.611 6.960 -19.113 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.928 6.773 -18.979 1.00 0.00 H new ATOM 111 N ILE 1 9 8.727 4.188 -11.188 1.00 0.00 N ATOM 112 CA ILE 1 9 8.787 2.917 -10.484 1.00 0.00 C ATOM 113 C ILE 1 9 8.795 3.134 -8.981 1.00 0.00 C ATOM 114 O ILE 1 9 9.792 3.585 -8.420 1.00 0.00 O ATOM 115 CB ILE 1 9 10.042 2.095 -10.861 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.899 2.837 -11.889 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.645 0.723 -11.382 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.141 2.076 -12.296 1.00 0.00 C ATOM 0 H ILE 1 9 9.460 4.848 -10.929 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.899 2.361 -10.784 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.641 1.962 -9.960 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.298 3.037 -12.776 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.192 3.803 -11.478 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.541 0.159 -11.642 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.090 0.188 -10.611 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.019 0.837 -12.267 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.702 2.659 -13.026 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.763 1.898 -11.419 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.855 1.121 -12.737 1.00 0.00 H new ATOM 130 N LEU 1 10 7.690 2.795 -8.331 1.00 0.00 N ATOM 131 CA LEU 1 10 7.588 2.934 -6.885 1.00 0.00 C ATOM 132 C LEU 1 10 8.489 1.907 -6.209 1.00 0.00 C ATOM 133 O LEU 1 10 8.022 1.035 -5.477 1.00 0.00 O ATOM 134 CB LEU 1 10 6.138 2.746 -6.433 1.00 0.00 C ATOM 135 CG LEU 1 10 5.535 1.375 -6.748 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.499 0.996 -5.703 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.921 1.370 -8.140 1.00 0.00 C ATOM 0 H LEU 1 10 6.854 2.423 -8.781 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.910 3.936 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.084 2.911 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.524 3.513 -6.904 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.333 0.633 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.081 0.018 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.970 0.958 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.702 1.739 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.497 0.387 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.135 2.123 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.691 1.596 -8.878 1.00 0.00 H new ATOM 149 N GLU 1 11 9.786 2.009 -6.477 1.00 0.00 N ATOM 150 CA GLU 1 11 10.757 1.084 -5.919 1.00 0.00 C ATOM 151 C GLU 1 11 11.745 1.811 -5.022 1.00 0.00 C ATOM 152 O GLU 1 11 12.111 1.310 -3.960 1.00 0.00 O ATOM 153 CB GLU 1 11 11.494 0.364 -7.046 1.00 0.00 C ATOM 154 CG GLU 1 11 10.588 -0.498 -7.906 1.00 0.00 C ATOM 155 CD GLU 1 11 10.437 -1.906 -7.366 1.00 0.00 C ATOM 156 OE1 GLU 1 11 10.269 -2.056 -6.137 1.00 0.00 O ATOM 157 OE2 GLU 1 11 10.486 -2.860 -8.171 1.00 0.00 O ATOM 0 H GLU 1 11 10.187 2.727 -7.080 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.227 0.350 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.987 1.103 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.277 -0.261 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 9.605 -0.031 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 10.989 -0.542 -8.919 1.00 0.00 H new ATOM 164 N GLN 1 12 12.175 2.993 -5.454 1.00 0.00 N ATOM 165 CA GLN 1 12 13.125 3.788 -4.675 1.00 0.00 C ATOM 166 C GLN 1 12 12.508 4.262 -3.354 1.00 0.00 C ATOM 167 O GLN 1 12 12.366 5.462 -3.120 1.00 0.00 O ATOM 168 CB GLN 1 12 13.604 4.990 -5.491 1.00 0.00 C ATOM 169 CG GLN 1 12 15.026 5.417 -5.168 1.00 0.00 C ATOM 170 CD GLN 1 12 15.093 6.395 -4.012 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.259 7.598 -4.210 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.964 5.881 -2.794 1.00 0.00 N ATOM 0 H GLN 1 12 11.884 3.421 -6.333 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.978 3.151 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.538 4.748 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.932 5.830 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.620 4.535 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.474 5.873 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.828 4.877 -2.676 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.001 6.490 -1.977 1.00 0.00 H new ATOM 181 N GLY 1 13 12.157 3.304 -2.493 1.00 0.00 N ATOM 182 CA GLY 1 13 11.571 3.610 -1.194 1.00 0.00 C ATOM 183 C GLY 1 13 10.625 4.799 -1.204 1.00 0.00 C ATOM 184 O GLY 1 13 10.624 5.600 -0.270 1.00 0.00 O ATOM 0 H GLY 1 13 12.271 2.307 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.032 2.733 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.373 3.804 -0.482 1.00 0.00 H new ATOM 188 N GLU 1 14 9.819 4.922 -2.254 1.00 0.00 N ATOM 189 CA GLU 1 14 8.877 6.032 -2.353 1.00 0.00 C ATOM 190 C GLU 1 14 7.477 5.632 -1.892 1.00 0.00 C ATOM 191 O GLU 1 14 6.834 6.358 -1.134 1.00 0.00 O ATOM 192 CB GLU 1 14 8.817 6.570 -3.785 1.00 0.00 C ATOM 193 CG GLU 1 14 8.612 5.499 -4.844 1.00 0.00 C ATOM 194 CD GLU 1 14 9.766 5.423 -5.821 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.906 5.208 -5.370 1.00 0.00 O ATOM 196 OE2 GLU 1 14 9.530 5.581 -7.036 1.00 0.00 O ATOM 0 H GLU 1 14 9.798 4.274 -3.041 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.240 6.818 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.006 7.295 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.742 7.105 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.487 4.531 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 7.691 5.703 -5.390 1.00 0.00 H new ATOM 203 N ASP 1 15 7.000 4.486 -2.367 1.00 0.00 N ATOM 204 CA ASP 1 15 5.665 4.008 -2.017 1.00 0.00 C ATOM 205 C ASP 1 15 4.596 4.882 -2.674 1.00 0.00 C ATOM 206 O ASP 1 15 3.420 4.819 -2.316 1.00 0.00 O ATOM 207 CB ASP 1 15 5.475 4.001 -0.498 1.00 0.00 C ATOM 208 CG ASP 1 15 4.677 2.803 -0.021 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.272 1.715 0.130 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.458 2.953 0.203 1.00 0.00 O ATOM 0 H ASP 1 15 7.517 3.871 -2.995 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.561 2.987 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.451 4.001 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.968 4.917 -0.194 1.00 0.00 H new ATOM 215 N CYS 1 16 5.022 5.695 -3.642 1.00 0.00 N ATOM 216 CA CYS 1 16 4.128 6.594 -4.369 1.00 0.00 C ATOM 217 C CYS 1 16 4.943 7.640 -5.117 1.00 0.00 C ATOM 218 O CYS 1 16 5.094 8.771 -4.655 1.00 0.00 O ATOM 219 CB CYS 1 16 3.144 7.285 -3.420 1.00 0.00 C ATOM 220 SG CYS 1 16 1.430 6.670 -3.520 1.00 0.00 S ATOM 0 H CYS 1 16 5.995 5.748 -3.943 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.554 6.000 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.500 7.163 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.145 8.354 -3.633 1.00 0.00 H new ATOM 225 N ASP 1 17 5.480 7.251 -6.267 1.00 0.00 N ATOM 226 CA ASP 1 17 6.296 8.154 -7.066 1.00 0.00 C ATOM 227 C ASP 1 17 5.757 8.289 -8.486 1.00 0.00 C ATOM 228 O ASP 1 17 4.989 7.451 -8.960 1.00 0.00 O ATOM 229 CB ASP 1 17 7.739 7.651 -7.108 1.00 0.00 C ATOM 230 CG ASP 1 17 8.647 8.550 -7.924 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.711 9.761 -7.625 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.294 8.042 -8.864 1.00 0.00 O ATOM 0 H ASP 1 17 5.365 6.319 -6.665 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.262 9.138 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.124 7.579 -6.091 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.757 6.645 -7.528 1.00 0.00 H new ATOM 237 N CYS 1 18 6.183 9.351 -9.157 1.00 0.00 N ATOM 238 CA CYS 1 18 5.774 9.620 -10.529 1.00 0.00 C ATOM 239 C CYS 1 18 6.999 9.855 -11.407 1.00 0.00 C ATOM 240 O CYS 1 18 7.999 10.410 -10.953 1.00 0.00 O ATOM 241 CB CYS 1 18 4.867 10.850 -10.585 1.00 0.00 C ATOM 242 SG CYS 1 18 3.153 10.554 -10.046 1.00 0.00 S ATOM 0 H CYS 1 18 6.819 10.047 -8.768 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.225 8.754 -10.898 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.300 11.633 -9.962 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.852 11.228 -11.607 1.00 0.00 H new ATOM 247 N GLY 1 19 6.920 9.439 -12.666 1.00 0.00 N ATOM 248 CA GLY 1 19 8.035 9.631 -13.577 1.00 0.00 C ATOM 249 C GLY 1 19 8.546 11.060 -13.560 1.00 0.00 C ATOM 250 O GLY 1 19 9.737 11.300 -13.361 1.00 0.00 O ATOM 0 H GLY 1 19 6.108 8.974 -13.072 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.845 8.954 -13.306 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.725 9.369 -14.589 1.00 0.00 H new ATOM 254 N SER 1 20 7.636 12.008 -13.760 1.00 0.00 N ATOM 255 CA SER 1 20 7.987 13.423 -13.758 1.00 0.00 C ATOM 256 C SER 1 20 6.926 14.240 -13.020 1.00 0.00 C ATOM 257 O SER 1 20 5.733 14.091 -13.278 1.00 0.00 O ATOM 258 CB SER 1 20 8.136 13.935 -15.192 1.00 0.00 C ATOM 259 OG SER 1 20 9.479 13.835 -15.634 1.00 0.00 O ATOM 0 H SER 1 20 6.647 11.821 -13.926 1.00 0.00 H new ATOM 0 HA SER 1 20 8.939 13.538 -13.240 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.488 13.361 -15.855 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.809 14.973 -15.246 1.00 0.00 H new ATOM 0 HG SER 1 20 9.546 14.167 -16.554 1.00 0.00 H new ATOM 265 N PRO 1 21 7.343 15.117 -12.086 1.00 0.00 N ATOM 266 CA PRO 1 21 6.412 15.950 -11.318 1.00 0.00 C ATOM 267 C PRO 1 21 5.344 16.597 -12.196 1.00 0.00 C ATOM 268 O PRO 1 21 4.232 16.867 -11.740 1.00 0.00 O ATOM 269 CB PRO 1 21 7.322 17.017 -10.712 1.00 0.00 C ATOM 270 CG PRO 1 21 8.642 16.343 -10.564 1.00 0.00 C ATOM 271 CD PRO 1 21 8.747 15.363 -11.703 1.00 0.00 C ATOM 0 HA PRO 1 21 5.856 15.369 -10.582 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.393 17.891 -11.359 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.943 17.362 -9.750 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.455 17.068 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.712 15.832 -9.604 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.322 15.774 -12.533 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.245 14.443 -11.395 1.00 0.00 H new ATOM 279 N ALA 1 22 5.687 16.842 -13.456 1.00 0.00 N ATOM 280 CA ALA 1 22 4.757 17.455 -14.397 1.00 0.00 C ATOM 281 C ALA 1 22 3.877 16.403 -15.063 1.00 0.00 C ATOM 282 O ALA 1 22 2.749 16.688 -15.467 1.00 0.00 O ATOM 283 CB ALA 1 22 5.517 18.252 -15.446 1.00 0.00 C ATOM 0 H ALA 1 22 6.603 16.625 -13.849 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.109 18.133 -13.841 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.810 18.704 -16.142 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.097 19.035 -14.958 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.189 17.589 -15.991 1.00 0.00 H new ATOM 289 N ASN 1 23 4.398 15.186 -15.172 1.00 0.00 N ATOM 290 CA ASN 1 23 3.660 14.088 -15.785 1.00 0.00 C ATOM 291 C ASN 1 23 3.201 13.088 -14.728 1.00 0.00 C ATOM 292 O ASN 1 23 2.936 11.925 -15.032 1.00 0.00 O ATOM 293 CB ASN 1 23 4.527 13.382 -16.829 1.00 0.00 C ATOM 294 CG ASN 1 23 5.189 14.356 -17.784 1.00 0.00 C ATOM 295 OD1 ASN 1 23 6.344 14.740 -17.596 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.459 14.762 -18.817 1.00 0.00 N ATOM 0 H ASN 1 23 5.330 14.935 -14.843 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.780 14.503 -16.276 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.294 12.795 -16.324 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.912 12.683 -17.396 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.852 15.417 -19.493 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.506 14.418 -18.934 1.00 0.00 H new ATOM 303 N CYS 1 24 3.111 13.550 -13.485 1.00 0.00 N ATOM 304 CA CYS 1 24 2.690 12.701 -12.381 1.00 0.00 C ATOM 305 C CYS 1 24 1.224 12.318 -12.518 1.00 0.00 C ATOM 306 O CYS 1 24 0.345 12.959 -11.942 1.00 0.00 O ATOM 307 CB CYS 1 24 2.921 13.411 -11.049 1.00 0.00 C ATOM 308 SG CYS 1 24 2.472 12.413 -9.591 1.00 0.00 S ATOM 0 H CYS 1 24 3.325 14.511 -13.219 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.288 11.790 -12.408 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.972 13.691 -10.975 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.343 14.335 -11.036 1.00 0.00 H new ATOM 313 N GLN 1 25 0.969 11.265 -13.283 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.391 10.785 -13.499 1.00 0.00 C ATOM 315 C GLN 1 25 -0.846 9.888 -12.348 1.00 0.00 C ATOM 316 O GLN 1 25 -1.359 8.790 -12.569 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.479 10.023 -14.823 1.00 0.00 C ATOM 318 CG GLN 1 25 0.377 8.768 -14.861 1.00 0.00 C ATOM 319 CD GLN 1 25 0.930 8.481 -16.243 1.00 0.00 C ATOM 320 OE1 GLN 1 25 1.237 9.398 -17.005 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.059 7.201 -16.575 1.00 0.00 N ATOM 0 H GLN 1 25 1.687 10.725 -13.766 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.052 11.650 -13.540 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.518 9.750 -15.007 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.175 10.685 -15.634 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.203 8.875 -14.158 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.217 7.917 -14.528 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.792 6.473 -15.912 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 1.425 6.946 -17.492 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.661 10.365 -11.121 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.056 9.613 -9.937 1.00 0.00 C ATOM 332 C ASP 1 26 -1.502 10.561 -8.830 1.00 0.00 C ATOM 333 O ASP 1 26 -0.681 11.091 -8.083 1.00 0.00 O ATOM 334 CB ASP 1 26 0.104 8.744 -9.447 1.00 0.00 C ATOM 335 CG ASP 1 26 0.732 7.934 -10.564 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.476 8.522 -11.377 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.480 6.712 -10.626 1.00 0.00 O ATOM 0 H ASP 1 26 -0.239 11.272 -10.921 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.892 8.966 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.863 9.380 -8.992 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.254 8.069 -8.670 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.808 10.776 -8.735 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.364 11.666 -7.725 1.00 0.00 C ATOM 344 C ARG 1 27 -3.106 11.138 -6.315 1.00 0.00 C ATOM 345 O ARG 1 27 -3.149 11.893 -5.344 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.865 11.847 -7.954 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.676 10.584 -7.713 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.072 10.697 -8.304 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.600 9.398 -8.715 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.182 8.735 -9.792 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -6.233 9.245 -10.567 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -7.715 7.559 -10.094 1.00 0.00 N ATOM 0 H ARG 1 27 -3.502 10.346 -9.346 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.867 12.632 -7.817 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.232 12.635 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.029 12.184 -8.977 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.161 9.730 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.747 10.395 -6.642 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.741 11.144 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.049 11.367 -9.163 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.331 8.974 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.820 10.149 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -5.917 8.733 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -8.445 7.163 -9.502 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.395 7.051 -10.919 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.839 9.840 -6.208 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.576 9.221 -4.913 1.00 0.00 C ATOM 368 C CYS 1 28 -1.074 9.074 -4.659 1.00 0.00 C ATOM 369 O CYS 1 28 -0.658 8.710 -3.559 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.260 7.854 -4.833 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.081 7.939 -4.797 1.00 0.00 S ATOM 0 H CYS 1 28 -2.799 9.198 -7.000 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.985 9.873 -4.141 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.951 7.254 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.913 7.337 -3.939 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.264 9.363 -5.677 1.00 0.00 N ATOM 377 CA CYS 1 29 1.188 9.264 -5.554 1.00 0.00 C ATOM 378 C CYS 1 29 1.868 10.488 -6.159 1.00 0.00 C ATOM 379 O CYS 1 29 1.627 10.832 -7.315 1.00 0.00 O ATOM 380 CB CYS 1 29 1.693 7.997 -6.244 1.00 0.00 C ATOM 381 SG CYS 1 29 1.076 6.449 -5.508 1.00 0.00 S ATOM 0 H CYS 1 29 -0.589 9.667 -6.595 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.436 9.217 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.402 8.028 -7.294 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.783 7.991 -6.215 1.00 0.00 H new ATOM 386 N ASN 1 30 2.713 11.147 -5.373 1.00 0.00 N ATOM 387 CA ASN 1 30 3.419 12.338 -5.840 1.00 0.00 C ATOM 388 C ASN 1 30 4.919 12.084 -5.967 1.00 0.00 C ATOM 389 O ASN 1 30 5.551 11.536 -5.058 1.00 0.00 O ATOM 390 CB ASN 1 30 3.158 13.509 -4.888 1.00 0.00 C ATOM 391 CG ASN 1 30 3.960 14.746 -5.245 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.611 15.336 -4.250 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.994 15.166 -6.402 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.926 10.879 -4.412 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.039 12.588 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.096 13.753 -4.902 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.401 13.205 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.478 14.681 -7.136 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.538 15.999 -6.626 1.00 0.00 H new ATOM 400 N ALA 1 31 5.479 12.498 -7.105 1.00 0.00 N ATOM 401 CA ALA 1 31 6.904 12.337 -7.374 1.00 0.00 C ATOM 402 C ALA 1 31 7.724 13.308 -6.537 1.00 0.00 C ATOM 403 O ALA 1 31 8.757 12.946 -5.974 1.00 0.00 O ATOM 404 CB ALA 1 31 7.190 12.563 -8.850 1.00 0.00 C ATOM 0 H ALA 1 31 4.961 12.950 -7.858 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.187 11.319 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.257 12.440 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.632 11.839 -9.444 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.887 13.572 -9.129 1.00 0.00 H new ATOM 410 N ALA 1 32 7.250 14.548 -6.463 1.00 0.00 N ATOM 411 CA ALA 1 32 7.930 15.587 -5.697 1.00 0.00 C ATOM 412 C ALA 1 32 8.169 15.150 -4.254 1.00 0.00 C ATOM 413 O ALA 1 32 9.017 15.710 -3.559 1.00 0.00 O ATOM 414 CB ALA 1 32 7.124 16.877 -5.733 1.00 0.00 C ATOM 0 H ALA 1 32 6.395 14.858 -6.925 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.903 15.762 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.641 17.645 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.014 17.209 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.138 16.702 -5.301 1.00 0.00 H new ATOM 420 N THR 1 33 7.420 14.146 -3.808 1.00 0.00 N ATOM 421 CA THR 1 33 7.555 13.636 -2.452 1.00 0.00 C ATOM 422 C THR 1 33 7.946 12.166 -2.466 1.00 0.00 C ATOM 423 O THR 1 33 8.445 11.638 -1.472 1.00 0.00 O ATOM 424 CB THR 1 33 6.237 13.802 -1.689 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.428 13.579 -0.304 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.148 12.856 -2.161 1.00 0.00 C ATOM 0 H THR 1 33 6.713 13.670 -4.369 1.00 0.00 H new ATOM 0 HA THR 1 33 8.338 14.207 -1.953 1.00 0.00 H new ATOM 0 HB THR 1 33 5.917 14.826 -1.884 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.109 12.886 -0.175 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.242 13.026 -1.580 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.942 13.036 -3.216 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.478 11.826 -2.027 1.00 0.00 H new ATOM 434 N CYS 1 34 7.687 11.499 -3.587 1.00 0.00 N ATOM 435 CA CYS 1 34 7.984 10.085 -3.705 1.00 0.00 C ATOM 436 C CYS 1 34 7.249 9.337 -2.602 1.00 0.00 C ATOM 437 O CYS 1 34 7.813 8.475 -1.932 1.00 0.00 O ATOM 438 CB CYS 1 34 9.492 9.836 -3.608 1.00 0.00 C ATOM 439 SG CYS 1 34 10.352 9.810 -5.216 1.00 0.00 S ATOM 0 H CYS 1 34 7.274 11.918 -4.420 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.652 9.725 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.937 10.611 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.660 8.884 -3.104 1.00 0.00 H new ATOM 444 N LYS 1 35 5.987 9.705 -2.407 1.00 0.00 N ATOM 445 CA LYS 1 35 5.165 9.099 -1.366 1.00 0.00 C ATOM 446 C LYS 1 35 3.699 9.501 -1.536 1.00 0.00 C ATOM 447 O LYS 1 35 3.386 10.463 -2.238 1.00 0.00 O ATOM 448 CB LYS 1 35 5.712 9.515 0.016 1.00 0.00 C ATOM 449 CG LYS 1 35 4.661 9.804 1.084 1.00 0.00 C ATOM 450 CD LYS 1 35 4.289 8.549 1.857 1.00 0.00 C ATOM 451 CE LYS 1 35 2.928 8.686 2.519 1.00 0.00 C ATOM 452 NZ LYS 1 35 3.043 9.084 3.949 1.00 0.00 N ATOM 0 H LYS 1 35 5.511 10.420 -2.957 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.211 8.013 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.366 8.723 0.381 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.329 10.405 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.040 10.558 1.774 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.770 10.221 0.615 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 4.282 7.693 1.182 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.046 8.350 2.616 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 2.336 9.428 1.982 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 2.393 7.739 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 2.093 9.167 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 3.586 8.364 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 3.531 10.000 4.016 1.00 0.00 H new ATOM 466 N LEU 1 36 2.806 8.752 -0.892 1.00 0.00 N ATOM 467 CA LEU 1 36 1.373 9.020 -0.972 1.00 0.00 C ATOM 468 C LEU 1 36 1.067 10.491 -0.707 1.00 0.00 C ATOM 469 O LEU 1 36 1.691 11.123 0.146 1.00 0.00 O ATOM 470 CB LEU 1 36 0.612 8.145 0.028 1.00 0.00 C ATOM 471 CG LEU 1 36 0.745 6.635 -0.191 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.056 5.928 1.120 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.525 6.072 -0.812 1.00 0.00 C ATOM 0 H LEU 1 36 3.051 7.953 -0.308 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.047 8.780 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.962 8.382 1.033 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.445 8.410 -0.013 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.572 6.460 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.147 4.856 0.943 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.993 6.309 1.526 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.251 6.111 1.832 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.412 4.998 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.369 6.260 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.705 6.554 -1.773 1.00 0.00 H new ATOM 485 N THR 1 37 0.102 11.029 -1.445 1.00 0.00 N ATOM 486 CA THR 1 37 -0.291 12.425 -1.294 1.00 0.00 C ATOM 487 C THR 1 37 -1.470 12.555 -0.332 1.00 0.00 C ATOM 488 O THR 1 37 -2.143 11.570 -0.027 1.00 0.00 O ATOM 489 CB THR 1 37 -0.661 13.026 -2.653 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.980 12.664 -3.019 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.261 12.592 -3.772 1.00 0.00 C ATOM 0 H THR 1 37 -0.423 10.518 -2.155 1.00 0.00 H new ATOM 0 HA THR 1 37 0.557 12.972 -0.882 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.568 14.105 -2.526 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.006 12.445 -3.974 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.058 13.054 -4.706 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.281 12.902 -3.544 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.225 11.507 -3.873 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.738 13.777 0.158 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.845 14.028 1.087 1.00 0.00 C ATOM 501 C PRO 1 38 -4.174 13.505 0.554 1.00 0.00 C ATOM 502 O PRO 1 38 -4.671 13.973 -0.470 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.877 15.554 1.202 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.494 15.990 0.865 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.988 15.008 -0.155 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.700 13.521 2.041 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.606 15.987 0.517 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.157 15.869 2.207 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.491 17.004 0.466 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.859 15.994 1.751 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.181 15.349 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.088 14.857 -0.068 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.745 12.531 1.255 1.00 0.00 N ATOM 514 CA GLY 1 39 -6.011 11.959 0.836 1.00 0.00 C ATOM 515 C GLY 1 39 -5.913 10.471 0.561 1.00 0.00 C ATOM 516 O GLY 1 39 -6.895 9.741 0.701 1.00 0.00 O ATOM 0 H GLY 1 39 -4.353 12.128 2.106 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.759 12.134 1.610 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.357 12.469 -0.063 1.00 0.00 H new ATOM 520 N SER 1 40 -4.725 10.020 0.171 1.00 0.00 N ATOM 521 CA SER 1 40 -4.501 8.610 -0.123 1.00 0.00 C ATOM 522 C SER 1 40 -3.425 8.032 0.791 1.00 0.00 C ATOM 523 O SER 1 40 -2.371 8.636 0.982 1.00 0.00 O ATOM 524 CB SER 1 40 -4.095 8.429 -1.586 1.00 0.00 C ATOM 525 OG SER 1 40 -3.678 7.099 -1.839 1.00 0.00 O ATOM 0 H SER 1 40 -3.903 10.611 0.051 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.433 8.074 0.055 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -4.935 8.679 -2.233 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.288 9.119 -1.831 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.161 6.486 -1.246 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.701 6.863 1.357 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.756 6.208 2.255 1.00 0.00 C ATOM 533 C GLN 1 41 -2.228 4.907 1.654 1.00 0.00 C ATOM 534 O GLN 1 41 -1.114 4.482 1.955 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.420 5.925 3.604 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.460 7.131 4.527 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.254 7.205 5.443 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.338 6.880 6.627 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.123 7.635 4.897 1.00 0.00 N ATOM 0 H GLN 1 41 -4.570 6.349 1.211 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.912 6.882 2.401 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.438 5.576 3.432 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.885 5.116 4.100 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.513 8.040 3.928 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.367 7.093 5.130 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.099 7.894 3.911 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.278 7.706 5.464 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.038 4.275 0.810 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.652 3.017 0.178 1.00 0.00 C ATOM 550 C CYS 1 42 -2.753 3.099 -1.340 1.00 0.00 C ATOM 551 O CYS 1 42 -3.843 3.221 -1.892 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.531 1.883 0.688 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.651 0.298 0.840 1.00 0.00 S ATOM 0 H CYS 1 42 -3.964 4.612 0.548 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.612 2.821 0.440 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.938 2.158 1.661 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.377 1.757 0.012 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.610 3.020 -2.009 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.572 3.077 -3.465 1.00 0.00 C ATOM 560 C ASN 1 43 -1.280 1.700 -4.062 1.00 0.00 C ATOM 561 O ASN 1 43 -1.430 1.491 -5.266 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.515 4.080 -3.924 1.00 0.00 C ATOM 563 CG ASN 1 43 0.897 3.609 -3.626 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.240 3.323 -2.479 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.724 3.527 -4.662 1.00 0.00 N ATOM 0 H ASN 1 43 -0.697 2.916 -1.567 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.551 3.401 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.620 4.250 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.688 5.037 -3.431 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.686 3.217 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.397 3.774 -5.596 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.865 0.765 -3.212 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.554 -0.590 -3.651 1.00 0.00 C ATOM 574 C TYR 1 44 -0.439 -1.512 -2.440 1.00 0.00 C ATOM 575 O TYR 1 44 0.142 -1.141 -1.421 1.00 0.00 O ATOM 576 CB TYR 1 44 0.735 -0.601 -4.483 1.00 0.00 C ATOM 577 CG TYR 1 44 1.981 -0.883 -3.680 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.258 -2.166 -3.237 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.869 0.133 -3.357 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.384 -2.435 -2.494 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.003 -0.125 -2.614 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.258 -1.412 -2.183 1.00 0.00 C ATOM 583 OH TYR 1 44 5.386 -1.676 -1.441 1.00 0.00 O ATOM 0 H TYR 1 44 -0.736 0.923 -2.213 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.361 -0.956 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.643 -1.352 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.844 0.364 -4.978 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.578 -2.969 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.670 1.140 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.583 -3.441 -2.156 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.687 0.675 -2.371 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.894 -0.848 -1.312 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.019 -2.699 -2.547 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.001 -3.644 -1.446 1.00 0.00 C ATOM 595 C GLY 1 45 -2.399 -4.131 -1.101 1.00 0.00 C ATOM 596 O GLY 1 45 -3.391 -3.564 -1.562 1.00 0.00 O ATOM 0 H GLY 1 45 -1.505 -3.027 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.373 -4.496 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.553 -3.174 -0.570 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.481 -5.188 -0.301 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.765 -5.764 0.086 1.00 0.00 C ATOM 602 C GLU 1 46 -4.640 -4.780 0.859 1.00 0.00 C ATOM 603 O GLU 1 46 -5.857 -4.747 0.679 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.530 -7.007 0.939 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.100 -8.227 0.139 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.937 -7.938 -0.791 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.187 -7.543 -1.950 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.777 -8.106 -0.361 1.00 0.00 O ATOM 0 H GLU 1 46 -1.671 -5.665 0.094 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.293 -6.021 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.767 -6.786 1.685 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.446 -7.243 1.481 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.821 -9.026 0.825 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.946 -8.590 -0.445 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.023 -4.008 1.742 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.758 -3.056 2.571 1.00 0.00 C ATOM 617 C CYS 1 47 -5.377 -1.916 1.764 1.00 0.00 C ATOM 618 O CYS 1 47 -6.278 -1.234 2.248 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.834 -2.481 3.643 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.476 -2.640 5.338 1.00 0.00 S ATOM 0 H CYS 1 47 -3.016 -4.020 1.905 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.579 -3.606 3.031 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.868 -2.983 3.583 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.659 -1.427 3.429 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.881 -1.679 0.559 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.392 -0.582 -0.253 1.00 0.00 C ATOM 627 C CYS 1 48 -6.818 -0.807 -0.736 1.00 0.00 C ATOM 628 O CYS 1 48 -7.177 -1.882 -1.217 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.471 -0.320 -1.441 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.711 -0.442 -1.036 1.00 0.00 S ATOM 0 H CYS 1 48 -4.135 -2.223 0.125 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.413 0.294 0.395 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.703 -1.032 -2.233 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.676 0.675 -1.836 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.612 0.250 -0.609 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.005 0.257 -1.027 1.00 0.00 C ATOM 637 C ASP 1 49 -9.452 1.699 -1.228 1.00 0.00 C ATOM 638 O ASP 1 49 -9.624 2.443 -0.262 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.887 -0.429 0.017 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.123 -1.059 -0.595 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.972 -1.887 -1.518 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.241 -0.725 -0.151 1.00 0.00 O ATOM 0 H ASP 1 49 -7.301 1.135 -0.208 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.103 -0.294 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.308 -1.196 0.531 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.189 0.300 0.769 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.602 2.106 -2.484 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.989 3.477 -2.792 1.00 0.00 C ATOM 649 C GLN 1 50 -8.884 4.432 -2.349 1.00 0.00 C ATOM 650 O GLN 1 50 -9.149 5.548 -1.901 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.307 3.836 -2.100 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.919 5.137 -2.593 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.074 4.911 -3.549 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.923 5.036 -4.764 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.238 4.578 -3.002 1.00 0.00 N ATOM 0 H GLN 1 50 -9.462 1.510 -3.300 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.134 3.568 -3.868 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.021 3.027 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.136 3.909 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.267 5.717 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.151 5.730 -3.090 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.318 4.485 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.052 4.415 -3.595 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.643 3.964 -2.469 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.470 4.740 -2.080 1.00 0.00 C ATOM 666 C CYS 1 51 -6.424 4.951 -0.567 1.00 0.00 C ATOM 667 O CYS 1 51 -5.855 5.930 -0.086 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.434 6.088 -2.805 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.660 6.022 -4.454 1.00 0.00 S ATOM 0 H CYS 1 51 -7.424 3.039 -2.838 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.589 4.169 -2.373 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.453 6.461 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.892 6.806 -2.189 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.017 4.021 0.178 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.033 4.102 1.637 1.00 0.00 C ATOM 676 C ARG 1 52 -6.731 2.740 2.256 1.00 0.00 C ATOM 677 O ARG 1 52 -7.006 1.703 1.654 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.391 4.609 2.126 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.649 6.071 1.797 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.282 6.805 2.969 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.500 6.657 4.194 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.983 6.884 5.414 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.243 7.269 5.575 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.204 6.726 6.475 1.00 0.00 N ATOM 0 H ARG 1 52 -7.492 3.203 -0.204 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.260 4.804 1.948 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.178 4.001 1.681 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.454 4.472 3.205 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.710 6.555 1.528 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.303 6.139 0.928 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.377 7.863 2.725 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.290 6.424 3.134 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.527 6.363 4.110 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.846 7.392 4.762 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.608 7.441 6.512 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.235 6.431 6.357 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.574 6.900 7.410 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.160 2.744 3.460 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.825 1.497 4.142 1.00 0.00 C ATOM 700 C PHE 1 53 -7.070 0.803 4.660 1.00 0.00 C ATOM 701 O PHE 1 53 -7.972 1.440 5.204 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.860 1.742 5.307 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.473 2.095 4.865 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.912 1.470 3.769 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.731 3.048 5.542 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.642 1.784 3.350 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.453 3.370 5.127 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.907 2.737 4.028 1.00 0.00 C ATOM 0 H PHE 1 53 -5.922 3.589 3.979 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.339 0.854 3.408 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.251 2.546 5.930 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.819 0.848 5.929 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.480 0.724 3.233 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.155 3.544 6.402 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.218 1.286 2.491 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.882 4.115 5.661 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.091 2.986 3.700 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.104 -0.510 4.500 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.236 -1.295 4.969 1.00 0.00 C ATOM 720 C LYS 1 54 -8.314 -1.228 6.487 1.00 0.00 C ATOM 721 O LYS 1 54 -7.529 -1.874 7.182 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.111 -2.751 4.518 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.302 -2.946 3.024 1.00 0.00 C ATOM 724 CD LYS 1 54 -9.582 -3.703 2.711 1.00 0.00 C ATOM 725 CE LYS 1 54 -10.061 -3.426 1.296 1.00 0.00 C ATOM 726 NZ LYS 1 54 -10.764 -4.598 0.707 1.00 0.00 N ATOM 0 H LYS 1 54 -6.366 -1.053 4.052 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.148 -0.879 4.540 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.128 -3.127 4.802 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.848 -3.352 5.051 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -8.325 -1.974 2.531 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -7.450 -3.490 2.617 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -9.413 -4.773 2.836 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -10.358 -3.417 3.421 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.731 -2.566 1.302 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -9.209 -3.162 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -11.075 -4.367 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -10.117 -5.412 0.678 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -11.592 -4.835 1.290 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.255 -0.432 6.993 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.439 -0.260 8.434 1.00 0.00 C ATOM 742 C LYS 1 55 -9.097 -1.535 9.195 1.00 0.00 C ATOM 743 O LYS 1 55 -9.592 -2.618 8.868 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.880 0.155 8.737 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.137 0.428 10.210 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.158 1.538 10.401 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.812 2.414 11.594 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.464 1.605 12.795 1.00 0.00 N ATOM 0 H LYS 1 55 -9.906 0.107 6.422 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.759 0.525 8.765 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.120 1.050 8.163 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.555 -0.631 8.399 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.493 -0.482 10.693 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.202 0.704 10.698 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.204 2.150 9.500 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.148 1.103 10.542 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.974 3.062 11.338 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.657 3.062 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.630 2.168 13.653 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.056 0.751 12.822 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -10.462 1.330 12.750 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.237 -1.403 10.204 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.822 -2.546 11.005 1.00 0.00 C ATOM 764 C ALA 1 56 -9.004 -3.461 11.286 1.00 0.00 C ATOM 765 O ALA 1 56 -10.054 -3.014 11.747 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.192 -2.094 12.309 1.00 0.00 C ATOM 0 H ALA 1 56 -7.817 -0.517 10.483 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.076 -3.101 10.435 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.891 -2.966 12.889 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.317 -1.479 12.097 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.915 -1.511 12.880 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.834 -4.735 10.985 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.905 -5.687 11.188 1.00 0.00 C ATOM 774 C GLY 1 57 -10.372 -6.294 9.882 1.00 0.00 C ATOM 775 O GLY 1 57 -11.129 -7.265 9.878 1.00 0.00 O ATOM 0 H GLY 1 57 -7.974 -5.129 10.603 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.566 -6.479 11.856 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.743 -5.192 11.679 1.00 0.00 H new ATOM 779 N THR 1 58 -9.911 -5.729 8.767 1.00 0.00 N ATOM 780 CA THR 1 58 -10.273 -6.234 7.453 1.00 0.00 C ATOM 781 C THR 1 58 -9.477 -7.497 7.132 1.00 0.00 C ATOM 782 O THR 1 58 -8.283 -7.428 6.842 1.00 0.00 O ATOM 783 CB THR 1 58 -10.003 -5.168 6.391 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.866 -4.057 6.563 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.181 -5.675 4.980 1.00 0.00 C ATOM 0 H THR 1 58 -9.287 -4.922 8.752 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.335 -6.478 7.454 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.961 -4.880 6.528 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.553 -3.513 7.316 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -9.974 -4.870 4.275 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.492 -6.500 4.800 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.205 -6.022 4.845 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.138 -8.650 7.185 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.476 -9.912 6.899 1.00 0.00 C ATOM 795 C VAL 1 59 -8.954 -9.935 5.468 1.00 0.00 C ATOM 796 O VAL 1 59 -9.713 -9.768 4.513 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.416 -11.117 7.115 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.662 -10.984 6.252 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.693 -12.424 6.822 1.00 0.00 C ATOM 0 H VAL 1 59 -11.126 -8.733 7.422 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.642 -9.996 7.596 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.724 -11.128 8.161 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.313 -11.843 6.418 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.193 -10.070 6.518 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.374 -10.944 5.201 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.374 -13.260 6.981 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.350 -12.426 5.787 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.836 -12.523 7.488 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.653 -10.138 5.333 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.012 -10.181 4.025 1.00 0.00 C ATOM 811 C CYS 1 60 -6.552 -11.600 3.696 1.00 0.00 C ATOM 812 O CYS 1 60 -6.468 -11.984 2.529 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.828 -9.206 4.011 1.00 0.00 C ATOM 814 SG CYS 1 60 -4.552 -9.542 2.752 1.00 0.00 S ATOM 0 H CYS 1 60 -7.016 -10.276 6.117 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.730 -9.882 3.262 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -6.212 -8.198 3.855 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.357 -9.219 4.994 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.262 -12.373 4.737 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.814 -13.757 4.571 1.00 0.00 C ATOM 821 C ARG 1 61 -6.165 -14.604 5.790 1.00 0.00 C ATOM 822 O ARG 1 61 -6.685 -14.101 6.786 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.303 -13.823 4.329 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.784 -12.758 3.383 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.344 -13.031 2.977 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.408 -12.774 4.071 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.510 -11.790 4.075 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.422 -10.948 3.052 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.302 -11.647 5.113 1.00 0.00 N ATOM 0 H ARG 1 61 -6.328 -12.067 5.708 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.334 -14.157 3.700 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.788 -13.728 5.285 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.052 -14.805 3.928 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.414 -12.721 2.494 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.850 -11.781 3.861 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.249 -14.068 2.654 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.084 -12.406 2.123 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.445 -13.388 4.884 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.046 -11.051 2.252 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.270 -10.198 3.066 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.237 -12.289 5.903 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.991 -10.895 5.121 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.866 -15.894 5.697 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.130 -16.840 6.777 1.00 0.00 C ATOM 845 C ILE 1 62 -5.228 -18.059 6.633 1.00 0.00 C ATOM 846 O ILE 1 62 -5.212 -18.708 5.587 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.600 -17.325 6.806 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.577 -16.191 6.488 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.925 -17.925 8.165 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.579 -15.782 5.033 1.00 0.00 C ATOM 0 H ILE 1 62 -5.435 -16.314 4.874 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.929 -16.309 7.707 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.712 -18.087 6.035 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.583 -16.500 6.771 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.326 -15.324 7.100 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.961 -18.263 8.175 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.265 -18.771 8.356 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.782 -17.171 8.939 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.295 -14.974 4.883 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.583 -15.441 4.749 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.860 -16.635 4.416 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.476 -18.364 7.683 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.566 -19.507 7.668 1.00 0.00 C ATOM 864 C ALA 1 63 -4.237 -20.749 7.090 1.00 0.00 C ATOM 865 O ALA 1 63 -3.907 -21.186 5.987 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.042 -19.788 9.069 1.00 0.00 C ATOM 0 H ALA 1 63 -4.477 -17.837 8.556 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.725 -19.254 7.022 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.366 -20.642 9.040 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.507 -18.914 9.439 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.878 -20.009 9.732 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.179 -21.311 7.837 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.896 -22.504 7.388 1.00 0.00 C ATOM 874 C ARG 1 64 -6.912 -22.969 8.428 1.00 0.00 C ATOM 875 O ARG 1 64 -6.765 -24.038 9.021 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.909 -23.636 7.081 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.301 -24.473 5.875 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.233 -23.663 4.590 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.302 -24.021 3.660 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.521 -23.395 2.506 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -5.750 -22.380 2.136 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.515 -23.785 1.719 1.00 0.00 N ATOM 0 H ARG 1 64 -5.465 -20.964 8.752 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.437 -22.242 6.479 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.921 -23.209 6.911 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.830 -24.285 7.953 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.639 -25.335 5.798 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.312 -24.858 6.011 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.299 -22.601 4.827 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.267 -23.823 4.111 1.00 0.00 H new ATOM 0 HE ARG 1 64 -6.916 -24.796 3.910 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -4.984 -22.076 2.737 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -5.923 -21.904 1.250 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.111 -24.564 1.998 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.683 -23.306 0.835 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.947 -22.165 8.639 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.971 -22.519 9.603 1.00 0.00 C ATOM 898 C GLY 1 65 -9.604 -21.306 10.250 1.00 0.00 C ATOM 899 O GLY 1 65 -10.312 -20.541 9.595 1.00 0.00 O ATOM 0 H GLY 1 65 -8.095 -21.276 8.161 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.744 -23.107 9.108 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.535 -23.152 10.375 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.347 -21.129 11.540 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.895 -20.000 12.280 1.00 0.00 C ATOM 905 C ASP 1 66 -9.260 -19.895 13.662 1.00 0.00 C ATOM 906 O ASP 1 66 -9.831 -20.340 14.658 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.412 -20.133 12.412 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.154 -19.430 11.293 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.850 -18.248 11.030 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.040 -20.062 10.679 1.00 0.00 O ATOM 0 H ASP 1 66 -8.762 -21.753 12.095 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.666 -19.091 11.724 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.682 -21.189 12.416 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.728 -19.719 13.370 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.074 -19.302 13.710 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.345 -19.131 14.963 1.00 0.00 C ATOM 917 C TRP 1 67 -7.100 -17.653 15.230 1.00 0.00 C ATOM 918 O TRP 1 67 -7.679 -17.064 16.142 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.009 -19.882 14.902 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.700 -20.438 13.547 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.351 -19.736 12.430 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.724 -21.814 13.165 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.159 -20.593 11.377 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.379 -21.875 11.804 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.002 -23.000 13.845 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.307 -23.076 11.108 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.929 -24.195 13.155 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.583 -24.226 11.797 1.00 0.00 C ATOM 0 H TRP 1 67 -7.593 -18.929 12.891 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.944 -19.541 15.776 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.207 -19.207 15.201 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.026 -20.697 15.626 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.242 -18.663 12.382 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.895 -20.320 10.430 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.269 -22.984 14.891 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.043 -23.101 10.061 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.142 -25.120 13.670 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.533 -25.175 11.285 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.243 -17.065 14.411 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.910 -15.650 14.522 1.00 0.00 C ATOM 941 C ASN 1 68 -6.414 -14.896 13.296 1.00 0.00 C ATOM 942 O ASN 1 68 -6.849 -13.749 13.393 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.398 -15.457 14.666 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.745 -16.544 15.500 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.520 -17.702 14.890 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.446 -16.344 16.677 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.760 -17.550 13.654 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.396 -15.253 15.413 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.942 -15.441 13.676 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.202 -14.487 15.123 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.637 -15.438 17.105 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.007 -17.084 17.224 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.358 -15.560 12.143 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.814 -14.970 10.890 1.00 0.00 C ATOM 955 C ASP 1 69 -5.997 -13.738 10.527 1.00 0.00 C ATOM 956 O ASP 1 69 -5.627 -12.950 11.395 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.287 -14.587 10.990 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.212 -15.738 10.649 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.137 -16.782 11.331 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.013 -15.596 9.701 1.00 0.00 O ATOM 0 H ASP 1 69 -5.999 -16.511 12.053 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.681 -15.717 10.108 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.501 -14.241 12.001 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.488 -13.753 10.318 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.731 -13.570 9.237 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.971 -12.422 8.764 1.00 0.00 C ATOM 967 C ASP 1 70 -5.844 -11.183 8.751 1.00 0.00 C ATOM 968 O ASP 1 70 -6.973 -11.215 8.261 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.421 -12.680 7.364 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.335 -11.700 6.973 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.618 -10.484 6.944 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.203 -12.148 6.695 1.00 0.00 O ATOM 0 H ASP 1 70 -6.030 -14.212 8.503 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.135 -12.263 9.445 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.024 -13.694 7.315 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.235 -12.621 6.642 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.328 -10.094 9.302 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.091 -8.862 9.358 1.00 0.00 C ATOM 979 C TYR 1 71 -5.238 -7.638 9.097 1.00 0.00 C ATOM 980 O TYR 1 71 -4.082 -7.564 9.512 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.762 -8.737 10.715 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.023 -9.542 10.801 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.164 -9.121 10.148 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.069 -10.724 11.520 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.328 -9.850 10.205 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.227 -11.467 11.586 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.358 -11.028 10.926 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.519 -11.765 10.988 1.00 0.00 O ATOM 0 H TYR 1 71 -4.395 -10.040 9.711 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.841 -8.909 8.568 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.071 -9.064 11.491 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.988 -7.689 10.911 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.142 -8.202 9.582 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.185 -11.068 12.036 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.212 -9.504 9.690 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.250 -12.387 12.151 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.370 -12.565 11.534 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.837 -6.672 8.420 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.163 -5.429 8.106 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.016 -4.582 9.363 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.689 -4.824 10.365 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.940 -4.674 7.033 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.070 -4.576 5.440 1.00 0.00 S ATOM 0 H CYS 1 72 -6.796 -6.729 8.076 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.167 -5.648 7.722 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.903 -5.162 6.882 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.146 -3.664 7.388 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.126 -3.601 9.314 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.889 -2.738 10.463 1.00 0.00 C ATOM 1010 C THR 1 73 -4.268 -1.284 10.170 1.00 0.00 C ATOM 1011 O THR 1 73 -3.989 -0.390 10.968 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.422 -2.840 10.885 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.563 -2.382 9.854 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.009 -4.257 11.227 1.00 0.00 C ATOM 0 H THR 1 73 -3.558 -3.383 8.495 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.526 -3.075 11.281 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.330 -2.216 11.774 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.661 -2.737 9.998 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.959 -4.269 11.519 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.620 -4.625 12.052 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.151 -4.897 10.357 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.916 -1.056 9.028 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.334 0.287 8.658 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.223 1.314 8.776 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.487 2.506 8.934 1.00 0.00 O ATOM 0 H GLY 1 74 -5.159 -1.780 8.351 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.702 0.276 7.632 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.167 0.589 9.292 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.979 0.856 8.699 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.829 1.749 8.797 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.871 1.552 7.623 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.074 2.435 7.309 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.089 1.521 10.118 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.432 0.154 10.222 1.00 0.00 C ATOM 1035 CD LYS 1 75 0.980 0.253 10.777 1.00 0.00 C ATOM 1036 CE LYS 1 75 1.285 -0.890 11.732 1.00 0.00 C ATOM 1037 NZ LYS 1 75 1.138 -0.477 13.156 1.00 0.00 N ATOM 0 H LYS 1 75 -2.740 -0.127 8.569 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.200 2.773 8.766 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.326 2.291 10.235 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -1.791 1.641 10.943 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -1.032 -0.491 10.864 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -0.405 -0.313 9.238 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 1.696 0.243 9.956 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 1.102 1.204 11.295 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 0.615 -1.725 11.525 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 2.301 -1.246 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 1.354 -1.284 13.776 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.795 0.303 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.162 -0.161 13.327 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.952 0.391 6.978 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.089 0.087 5.843 1.00 0.00 C ATOM 1053 C SER 1 76 -0.824 -0.762 4.812 1.00 0.00 C ATOM 1054 O SER 1 76 -1.957 -1.183 5.035 1.00 0.00 O ATOM 1055 CB SER 1 76 1.170 -0.641 6.315 1.00 0.00 C ATOM 1056 OG SER 1 76 2.215 0.274 6.595 1.00 0.00 O ATOM 0 H SER 1 76 -1.606 -0.353 7.222 1.00 0.00 H new ATOM 0 HA SER 1 76 0.197 1.028 5.374 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.944 -1.223 7.208 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.495 -1.345 5.549 1.00 0.00 H new ATOM 0 HG SER 1 76 1.832 1.133 6.871 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.162 -1.015 3.687 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.737 -1.824 2.614 1.00 0.00 C ATOM 1064 C SER 1 77 -0.505 -3.312 2.865 1.00 0.00 C ATOM 1065 O SER 1 77 -0.732 -4.139 1.982 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.117 -1.425 1.274 1.00 0.00 C ATOM 1067 OG SER 1 77 1.060 -2.169 1.007 1.00 0.00 O ATOM 0 H SER 1 77 0.778 -0.670 3.493 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.812 -1.643 2.589 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.840 -1.586 0.474 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.118 -0.361 1.282 1.00 0.00 H new ATOM 0 HG SER 1 77 1.264 -2.126 0.049 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.043 -3.647 4.067 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.230 -5.036 4.416 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.873 -5.617 5.292 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.531 -4.900 6.044 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.576 -5.146 5.134 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.660 -4.238 6.346 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.736 -4.279 7.184 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.652 -3.486 6.456 1.00 0.00 O ATOM 0 H ASP 1 78 0.149 -2.978 4.812 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.266 -5.610 3.490 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.736 -6.178 5.445 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.377 -4.895 4.439 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.063 -6.927 5.185 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.079 -7.623 5.962 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.482 -8.851 6.660 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.362 -9.919 6.063 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.243 -8.032 5.054 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.799 -9.204 3.727 1.00 0.00 S ATOM 0 H CYS 1 79 -0.523 -7.530 4.564 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.454 -6.947 6.731 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -4.025 -8.478 5.668 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.666 -7.135 4.602 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.081 -8.706 7.938 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.477 -9.802 8.714 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.467 -10.910 9.080 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.611 -10.641 9.447 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.019 -9.100 9.982 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.867 -7.913 10.124 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.166 -7.459 8.723 1.00 0.00 C ATOM 0 HA PRO 1 80 0.300 -10.309 8.142 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.052 -9.754 10.851 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.064 -8.806 9.889 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.783 -8.170 10.656 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.377 -7.124 10.695 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.154 -7.004 8.650 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.446 -6.717 8.378 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.005 -12.158 8.988 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.835 -13.327 9.321 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.352 -13.234 10.751 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.342 -13.872 11.107 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.047 -14.639 9.184 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.248 -14.526 8.444 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.461 -14.164 8.953 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.456 -14.790 7.059 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.412 -14.185 7.962 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.817 -14.568 6.789 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.382 -15.193 6.024 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.359 -14.738 5.521 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.154 -15.363 4.761 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.515 -15.136 4.519 1.00 0.00 C ATOM 0 H TRP 1 81 -0.059 -12.390 8.685 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.667 -13.329 8.617 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.845 -15.029 10.181 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.675 -15.371 8.676 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.646 -13.900 9.984 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.398 -13.954 8.080 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.432 -15.370 6.204 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.408 -14.563 5.333 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.486 -15.675 3.949 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.906 -15.278 3.522 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.651 -12.459 11.568 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.001 -12.292 12.975 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.499 -13.485 13.784 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.094 -13.863 14.792 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.515 -12.139 13.148 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.880 -11.115 14.206 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.840 -10.361 14.050 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.114 -11.082 15.290 1.00 0.00 N ATOM 0 H ASN 1 82 -0.828 -11.931 11.278 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.522 -11.384 13.341 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.958 -11.846 12.196 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.946 -13.103 13.417 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.312 -10.413 16.034 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.328 -11.726 15.379 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.398 -14.075 13.322 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.194 -15.230 13.985 1.00 0.00 C ATOM 1149 C HIS 1 83 1.407 -14.822 14.815 1.00 0.00 C ATOM 1150 O HIS 1 83 1.997 -15.705 15.474 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.597 -16.278 12.945 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.539 -16.705 12.072 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.868 -16.778 12.323 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.377 -17.102 10.762 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.476 -17.209 11.171 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.556 -17.395 10.244 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 1.759 -13.624 14.798 1.00 0.00 O ATOM 0 H HIS 1 83 0.102 -13.769 12.487 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.549 -15.658 14.658 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.395 -15.874 12.321 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.003 -17.151 13.456 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.331 -16.554 13.204 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.567 -17.164 10.241 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.536 -17.370 11.044 1.00 0.00 H new TER 1166 HIS 1 83