USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 180:sc= -0.301 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0.0191 USER MOD Set 2.1: A 3 SER OG : rot 130:sc= -2.27! USER MOD Set 2.2: A 6 HIS : no HE2:sc= -4.49! C(o=-6.8!,f=-4.1!) USER MOD Single : A 1 THR N :NH3+ -136:sc= 0.456 (180deg=-0.0153) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 126:sc= 0.0405 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 11 THR OG1 : rot 73:sc= 0.364 USER MOD Single : A 12 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.5!) USER MOD Single : A 16 ASN : amide:sc= -5.86! C(o=-5.9!,f=-10!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -64:sc= -6.12! USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.933 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -0.01 (180deg=-0.275) USER MOD Single : A 41 LYS NZ :NH3+ 143:sc= -1.22 (180deg=-4.27!) USER MOD Single : A 46 SER OG : rot -30:sc= -0.203! USER MOD Single : A 47 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.8!) USER MOD Single : A 49 THR OG1 : rot -160:sc= -1.99! USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= -0.0122 (180deg=-0.148) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -10.3! C(o=-10!,f=-18!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -136:sc= -9.36! (180deg=-13!) USER MOD Single : A 69 ASN : amide:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.791) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -53:sc= 1.28 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -60:sc= -4.51! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -12.013 -19.121 -0.244 1.00 0.00 N ATOM 2 CA THR A 1 -12.506 -19.068 -1.651 1.00 0.00 C ATOM 3 C THR A 1 -11.385 -18.608 -2.585 1.00 0.00 C ATOM 4 O THR A 1 -10.224 -18.615 -2.229 1.00 0.00 O ATOM 5 CB THR A 1 -13.643 -18.046 -1.634 1.00 0.00 C ATOM 6 OG1 THR A 1 -13.289 -16.958 -0.793 1.00 0.00 O ATOM 7 CG2 THR A 1 -14.918 -18.707 -1.106 1.00 0.00 C ATOM 0 H1 THR A 1 -12.344 -19.998 0.207 1.00 0.00 H new ATOM 0 H2 THR A 1 -10.973 -19.101 -0.239 1.00 0.00 H new ATOM 0 H3 THR A 1 -12.378 -18.302 0.283 1.00 0.00 H new ATOM 0 HA THR A 1 -12.839 -20.042 -2.010 1.00 0.00 H new ATOM 0 HB THR A 1 -13.818 -17.681 -2.646 1.00 0.00 H new ATOM 0 HG1 THR A 1 -14.017 -16.302 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 1 -15.728 -17.978 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 1 -15.190 -19.541 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 1 -14.745 -19.074 -0.094 1.00 0.00 H new ATOM 17 N MET A 2 -11.724 -18.207 -3.781 1.00 0.00 N ATOM 18 CA MET A 2 -10.676 -17.747 -4.738 1.00 0.00 C ATOM 19 C MET A 2 -10.312 -16.287 -4.460 1.00 0.00 C ATOM 20 O MET A 2 -9.168 -15.892 -4.563 1.00 0.00 O ATOM 21 CB MET A 2 -11.314 -17.888 -6.121 1.00 0.00 C ATOM 22 CG MET A 2 -10.231 -18.206 -7.152 1.00 0.00 C ATOM 23 SD MET A 2 -10.107 -16.843 -8.336 1.00 0.00 S ATOM 24 CE MET A 2 -9.701 -17.842 -9.790 1.00 0.00 C ATOM 0 H MET A 2 -12.680 -18.178 -4.136 1.00 0.00 H new ATOM 0 HA MET A 2 -9.756 -18.325 -4.653 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.063 -18.680 -6.109 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.829 -16.966 -6.391 1.00 0.00 H new ATOM 0 HG2 MET A 2 -9.273 -18.358 -6.654 1.00 0.00 H new ATOM 0 HG3 MET A 2 -10.470 -19.133 -7.672 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.578 -17.191 -10.656 1.00 0.00 H new ATOM 0 HE2 MET A 2 -8.774 -18.386 -9.610 1.00 0.00 H new ATOM 0 HE3 MET A 2 -10.507 -18.551 -9.981 1.00 0.00 H new ATOM 34 N SER A 3 -11.278 -15.481 -4.109 1.00 0.00 N ATOM 35 CA SER A 3 -10.985 -14.046 -3.825 1.00 0.00 C ATOM 36 C SER A 3 -10.290 -13.401 -5.027 1.00 0.00 C ATOM 37 O SER A 3 -10.920 -12.791 -5.868 1.00 0.00 O ATOM 38 CB SER A 3 -10.054 -14.064 -2.613 1.00 0.00 C ATOM 39 OG SER A 3 -9.498 -12.769 -2.429 1.00 0.00 O ATOM 0 H SER A 3 -12.256 -15.753 -4.007 1.00 0.00 H new ATOM 0 HA SER A 3 -11.890 -13.469 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.604 -14.366 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.260 -14.796 -2.761 1.00 0.00 H new ATOM 0 HG SER A 3 -9.612 -12.494 -1.495 1.00 0.00 H new ATOM 45 N SER A 4 -8.994 -13.531 -5.114 1.00 0.00 N ATOM 46 CA SER A 4 -8.258 -12.925 -6.261 1.00 0.00 C ATOM 47 C SER A 4 -8.320 -11.397 -6.182 1.00 0.00 C ATOM 48 O SER A 4 -7.309 -10.729 -6.094 1.00 0.00 O ATOM 49 CB SER A 4 -8.985 -13.427 -7.509 1.00 0.00 C ATOM 50 OG SER A 4 -8.036 -13.960 -8.421 1.00 0.00 O ATOM 0 H SER A 4 -8.413 -14.030 -4.441 1.00 0.00 H new ATOM 0 HA SER A 4 -7.203 -13.200 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.714 -14.190 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.537 -12.611 -7.976 1.00 0.00 H new ATOM 0 HG SER A 4 -8.296 -14.872 -8.667 1.00 0.00 H new ATOM 56 N GLU A 5 -9.500 -10.839 -6.214 1.00 0.00 N ATOM 57 CA GLU A 5 -9.624 -9.355 -6.140 1.00 0.00 C ATOM 58 C GLU A 5 -9.181 -8.855 -4.762 1.00 0.00 C ATOM 59 O GLU A 5 -8.566 -7.814 -4.638 1.00 0.00 O ATOM 60 CB GLU A 5 -11.110 -9.068 -6.362 1.00 0.00 C ATOM 61 CG GLU A 5 -11.281 -7.653 -6.919 1.00 0.00 C ATOM 62 CD GLU A 5 -12.753 -7.412 -7.255 1.00 0.00 C ATOM 63 OE1 GLU A 5 -13.407 -8.350 -7.679 1.00 0.00 O ATOM 64 OE2 GLU A 5 -13.202 -6.290 -7.079 1.00 0.00 O ATOM 0 H GLU A 5 -10.382 -11.346 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.998 -8.852 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.532 -9.796 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.655 -9.169 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.939 -6.919 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.668 -7.525 -7.811 1.00 0.00 H new ATOM 71 N HIS A 6 -9.488 -9.589 -3.728 1.00 0.00 N ATOM 72 CA HIS A 6 -9.084 -9.157 -2.360 1.00 0.00 C ATOM 73 C HIS A 6 -9.644 -7.765 -2.057 1.00 0.00 C ATOM 74 O HIS A 6 -8.938 -6.888 -1.596 1.00 0.00 O ATOM 75 CB HIS A 6 -7.556 -9.129 -2.389 1.00 0.00 C ATOM 76 CG HIS A 6 -7.034 -10.502 -2.708 1.00 0.00 C ATOM 77 ND1 HIS A 6 -6.321 -10.772 -3.865 1.00 0.00 N ATOM 78 CD2 HIS A 6 -7.112 -11.694 -2.030 1.00 0.00 C ATOM 79 CE1 HIS A 6 -6.002 -12.078 -3.850 1.00 0.00 C ATOM 80 NE2 HIS A 6 -6.461 -12.688 -2.754 1.00 0.00 N ATOM 0 H HIS A 6 -10.001 -10.469 -3.771 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.464 -9.825 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.209 -8.414 -3.135 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.170 -8.797 -1.426 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -6.082 -10.102 -4.596 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.604 -11.838 -1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.443 -12.574 -4.630 1.00 0.00 H new ATOM 88 N THR A 7 -10.906 -7.554 -2.312 1.00 0.00 N ATOM 89 CA THR A 7 -11.510 -6.219 -2.036 1.00 0.00 C ATOM 90 C THR A 7 -11.882 -6.105 -0.556 1.00 0.00 C ATOM 91 O THR A 7 -12.314 -7.060 0.060 1.00 0.00 O ATOM 92 CB THR A 7 -12.763 -6.164 -2.911 1.00 0.00 C ATOM 93 OG1 THR A 7 -12.623 -7.072 -3.995 1.00 0.00 O ATOM 94 CG2 THR A 7 -12.949 -4.746 -3.452 1.00 0.00 C ATOM 0 H THR A 7 -11.545 -8.248 -2.699 1.00 0.00 H new ATOM 0 HA THR A 7 -10.824 -5.400 -2.255 1.00 0.00 H new ATOM 0 HB THR A 7 -13.633 -6.440 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.426 -7.039 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.842 -4.709 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.058 -4.050 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.080 -4.467 -4.047 1.00 0.00 H new ATOM 102 N CYS A 8 -11.715 -4.947 0.020 1.00 0.00 N ATOM 103 CA CYS A 8 -12.056 -4.773 1.463 1.00 0.00 C ATOM 104 C CYS A 8 -13.562 -4.932 1.678 1.00 0.00 C ATOM 105 O CYS A 8 -14.219 -4.048 2.188 1.00 0.00 O ATOM 106 CB CYS A 8 -11.615 -3.351 1.814 1.00 0.00 C ATOM 107 SG CYS A 8 -12.268 -2.191 0.587 1.00 0.00 S ATOM 0 H CYS A 8 -11.357 -4.112 -0.445 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.565 -5.518 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.973 -3.084 2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.527 -3.293 1.841 1.00 0.00 H new ATOM 112 N ILE A 9 -14.112 -6.055 1.295 1.00 0.00 N ATOM 113 CA ILE A 9 -15.577 -6.271 1.475 1.00 0.00 C ATOM 114 C ILE A 9 -16.336 -4.970 1.212 1.00 0.00 C ATOM 115 O ILE A 9 -17.402 -4.740 1.750 1.00 0.00 O ATOM 116 CB ILE A 9 -15.740 -6.709 2.931 1.00 0.00 C ATOM 117 CG1 ILE A 9 -17.164 -7.224 3.150 1.00 0.00 C ATOM 118 CG2 ILE A 9 -15.482 -5.519 3.857 1.00 0.00 C ATOM 119 CD1 ILE A 9 -17.429 -8.406 2.214 1.00 0.00 C ATOM 0 H ILE A 9 -13.609 -6.832 0.865 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.974 -7.014 0.784 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.026 -7.502 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.295 -7.531 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.883 -6.427 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.599 -5.833 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.468 -5.150 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -16.195 -4.725 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.443 -8.773 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.315 -8.083 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.718 -9.204 2.426 1.00 0.00 H new ATOM 131 N ASP A 10 -15.792 -4.115 0.391 1.00 0.00 N ATOM 132 CA ASP A 10 -16.477 -2.824 0.098 1.00 0.00 C ATOM 133 C ASP A 10 -16.457 -1.929 1.339 1.00 0.00 C ATOM 134 O ASP A 10 -17.452 -1.337 1.708 1.00 0.00 O ATOM 135 CB ASP A 10 -17.912 -3.206 -0.268 1.00 0.00 C ATOM 136 CG ASP A 10 -18.312 -2.507 -1.568 1.00 0.00 C ATOM 137 OD1 ASP A 10 -18.439 -1.294 -1.550 1.00 0.00 O ATOM 138 OD2 ASP A 10 -18.483 -3.196 -2.561 1.00 0.00 O ATOM 0 H ASP A 10 -14.903 -4.254 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.991 -2.269 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.993 -4.287 -0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.591 -2.920 0.535 1.00 0.00 H new ATOM 143 N THR A 11 -15.328 -1.827 1.986 1.00 0.00 N ATOM 144 CA THR A 11 -15.240 -0.972 3.203 1.00 0.00 C ATOM 145 C THR A 11 -15.485 0.489 2.828 1.00 0.00 C ATOM 146 O THR A 11 -15.509 0.845 1.668 1.00 0.00 O ATOM 147 CB THR A 11 -13.810 -1.165 3.720 1.00 0.00 C ATOM 148 OG1 THR A 11 -13.761 -2.316 4.551 1.00 0.00 O ATOM 149 CG2 THR A 11 -13.378 0.065 4.525 1.00 0.00 C ATOM 0 H THR A 11 -14.463 -2.299 1.724 1.00 0.00 H new ATOM 0 HA THR A 11 -15.981 -1.238 3.956 1.00 0.00 H new ATOM 0 HB THR A 11 -13.135 -1.295 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.830 -3.122 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.361 -0.078 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.414 0.948 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.051 0.201 5.371 1.00 0.00 H new ATOM 157 N ASN A 12 -15.652 1.345 3.799 1.00 0.00 N ATOM 158 CA ASN A 12 -15.877 2.778 3.475 1.00 0.00 C ATOM 159 C ASN A 12 -14.554 3.392 3.029 1.00 0.00 C ATOM 160 O ASN A 12 -13.637 3.556 3.808 1.00 0.00 O ATOM 161 CB ASN A 12 -16.358 3.415 4.780 1.00 0.00 C ATOM 162 CG ASN A 12 -17.018 4.762 4.479 1.00 0.00 C ATOM 163 OD1 ASN A 12 -16.577 5.484 3.607 1.00 0.00 O ATOM 164 ND2 ASN A 12 -18.062 5.131 5.166 1.00 0.00 N ATOM 0 H ASN A 12 -15.642 1.115 4.793 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.601 2.927 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.067 2.755 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.518 3.554 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.510 6.027 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.431 4.524 5.898 1.00 0.00 H new ATOM 171 N VAL A 13 -14.442 3.716 1.773 1.00 0.00 N ATOM 172 CA VAL A 13 -13.169 4.299 1.270 1.00 0.00 C ATOM 173 C VAL A 13 -13.456 5.499 0.360 1.00 0.00 C ATOM 174 O VAL A 13 -14.215 5.394 -0.583 1.00 0.00 O ATOM 175 CB VAL A 13 -12.515 3.164 0.482 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.339 3.713 -0.328 1.00 0.00 C ATOM 177 CG2 VAL A 13 -12.012 2.096 1.455 1.00 0.00 C ATOM 0 H VAL A 13 -15.176 3.603 1.073 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.529 4.665 2.073 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.246 2.724 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.874 2.903 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.698 4.474 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.606 4.154 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.545 1.285 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.281 2.537 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.851 1.704 2.030 1.00 0.00 H new ATOM 187 N PRO A 14 -12.838 6.602 0.682 1.00 0.00 N ATOM 188 CA PRO A 14 -13.027 7.841 -0.114 1.00 0.00 C ATOM 189 C PRO A 14 -12.680 7.591 -1.585 1.00 0.00 C ATOM 190 O PRO A 14 -11.943 6.681 -1.912 1.00 0.00 O ATOM 191 CB PRO A 14 -12.051 8.838 0.511 1.00 0.00 C ATOM 192 CG PRO A 14 -11.730 8.289 1.867 1.00 0.00 C ATOM 193 CD PRO A 14 -11.913 6.797 1.802 1.00 0.00 C ATOM 0 HA PRO A 14 -14.056 8.199 -0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.150 8.938 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.497 9.830 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.707 8.538 2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.385 8.724 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.966 6.286 1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.324 6.404 2.732 1.00 0.00 H new ATOM 201 N ASP A 15 -13.207 8.388 -2.472 1.00 0.00 N ATOM 202 CA ASP A 15 -12.907 8.194 -3.921 1.00 0.00 C ATOM 203 C ASP A 15 -11.484 8.652 -4.234 1.00 0.00 C ATOM 204 O ASP A 15 -11.261 9.484 -5.093 1.00 0.00 O ATOM 205 CB ASP A 15 -13.929 9.058 -4.659 1.00 0.00 C ATOM 206 CG ASP A 15 -14.103 8.537 -6.088 1.00 0.00 C ATOM 207 OD1 ASP A 15 -14.504 7.395 -6.235 1.00 0.00 O ATOM 208 OD2 ASP A 15 -13.830 9.289 -7.008 1.00 0.00 O ATOM 0 H ASP A 15 -13.832 9.165 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.972 7.147 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.884 9.038 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.598 10.096 -4.677 1.00 0.00 H new ATOM 213 N ASN A 16 -10.520 8.113 -3.544 1.00 0.00 N ATOM 214 CA ASN A 16 -9.106 8.505 -3.797 1.00 0.00 C ATOM 215 C ASN A 16 -8.174 7.672 -2.917 1.00 0.00 C ATOM 216 O ASN A 16 -7.097 8.102 -2.548 1.00 0.00 O ATOM 217 CB ASN A 16 -9.031 9.986 -3.425 1.00 0.00 C ATOM 218 CG ASN A 16 -9.600 10.195 -2.020 1.00 0.00 C ATOM 219 OD1 ASN A 16 -9.341 9.415 -1.124 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.371 11.222 -1.790 1.00 0.00 N ATOM 0 H ASN A 16 -10.651 7.415 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.802 8.337 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.997 10.328 -3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.591 10.581 -4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.757 11.371 -0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.588 11.876 -2.542 1.00 0.00 H new ATOM 227 N ALA A 17 -8.582 6.480 -2.577 1.00 0.00 N ATOM 228 CA ALA A 17 -7.726 5.610 -1.720 1.00 0.00 C ATOM 229 C ALA A 17 -7.834 4.153 -2.175 1.00 0.00 C ATOM 230 O ALA A 17 -8.700 3.796 -2.950 1.00 0.00 O ATOM 231 CB ALA A 17 -8.284 5.769 -0.306 1.00 0.00 C ATOM 0 H ALA A 17 -9.473 6.070 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.673 5.886 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.704 5.157 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.221 6.815 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.326 5.449 -0.288 1.00 0.00 H new ATOM 237 N ALA A 18 -6.964 3.308 -1.698 1.00 0.00 N ATOM 238 CA ALA A 18 -7.019 1.874 -2.102 1.00 0.00 C ATOM 239 C ALA A 18 -7.114 0.985 -0.859 1.00 0.00 C ATOM 240 O ALA A 18 -6.393 1.167 0.101 1.00 0.00 O ATOM 241 CB ALA A 18 -5.707 1.621 -2.844 1.00 0.00 C ATOM 0 H ALA A 18 -6.217 3.547 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.886 1.650 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.671 0.583 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.646 2.280 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.868 1.819 -2.177 1.00 0.00 H new ATOM 247 N CYS A 19 -7.999 0.025 -0.868 1.00 0.00 N ATOM 248 CA CYS A 19 -8.137 -0.869 0.316 1.00 0.00 C ATOM 249 C CYS A 19 -7.789 -2.310 -0.064 1.00 0.00 C ATOM 250 O CYS A 19 -8.011 -2.740 -1.179 1.00 0.00 O ATOM 251 CB CYS A 19 -9.607 -0.758 0.729 1.00 0.00 C ATOM 252 SG CYS A 19 -10.644 -1.625 -0.475 1.00 0.00 S ATOM 0 H CYS A 19 -8.631 -0.178 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.466 -0.587 1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.750 -1.186 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.900 0.290 0.788 1.00 0.00 H new ATOM 257 N TYR A 20 -7.242 -3.059 0.854 1.00 0.00 N ATOM 258 CA TYR A 20 -6.876 -4.470 0.543 1.00 0.00 C ATOM 259 C TYR A 20 -7.241 -5.389 1.714 1.00 0.00 C ATOM 260 O TYR A 20 -6.936 -5.106 2.856 1.00 0.00 O ATOM 261 CB TYR A 20 -5.362 -4.447 0.333 1.00 0.00 C ATOM 262 CG TYR A 20 -4.884 -5.825 -0.057 1.00 0.00 C ATOM 263 CD1 TYR A 20 -5.425 -6.461 -1.182 1.00 0.00 C ATOM 264 CD2 TYR A 20 -3.901 -6.467 0.705 1.00 0.00 C ATOM 265 CE1 TYR A 20 -4.980 -7.739 -1.544 1.00 0.00 C ATOM 266 CE2 TYR A 20 -3.458 -7.743 0.343 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.997 -8.380 -0.782 1.00 0.00 C ATOM 268 OH TYR A 20 -3.559 -9.638 -1.139 1.00 0.00 O ATOM 0 H TYR A 20 -7.033 -2.755 1.805 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.406 -4.849 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.103 -3.728 -0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.863 -4.123 1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.184 -5.966 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.485 -5.977 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.396 -8.230 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.700 -8.238 0.931 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.874 -9.938 -0.505 1.00 0.00 H new ATOM 278 N ARG A 21 -7.884 -6.490 1.437 1.00 0.00 N ATOM 279 CA ARG A 21 -8.264 -7.430 2.531 1.00 0.00 C ATOM 280 C ARG A 21 -7.384 -8.683 2.473 1.00 0.00 C ATOM 281 O ARG A 21 -6.933 -9.086 1.419 1.00 0.00 O ATOM 282 CB ARG A 21 -9.725 -7.791 2.259 1.00 0.00 C ATOM 283 CG ARG A 21 -10.606 -7.227 3.374 1.00 0.00 C ATOM 284 CD ARG A 21 -12.076 -7.525 3.068 1.00 0.00 C ATOM 285 NE ARG A 21 -12.417 -8.696 3.923 1.00 0.00 N ATOM 286 CZ ARG A 21 -12.236 -9.913 3.481 1.00 0.00 C ATOM 287 NH1 ARG A 21 -11.752 -10.113 2.284 1.00 0.00 N ATOM 288 NH2 ARG A 21 -12.538 -10.931 4.238 1.00 0.00 N ATOM 0 H ARG A 21 -8.163 -6.780 0.500 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.133 -6.989 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.037 -7.388 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.839 -8.874 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.327 -7.669 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.453 -6.151 3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.709 -6.669 3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.221 -7.752 2.012 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.794 -8.548 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.514 -9.318 1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.612 -11.064 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.915 -10.777 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.397 -11.881 3.895 1.00 0.00 H new ATOM 302 N TYR A 22 -7.133 -9.302 3.594 1.00 0.00 N ATOM 303 CA TYR A 22 -6.281 -10.526 3.594 1.00 0.00 C ATOM 304 C TYR A 22 -7.153 -11.784 3.624 1.00 0.00 C ATOM 305 O TYR A 22 -8.363 -11.714 3.702 1.00 0.00 O ATOM 306 CB TYR A 22 -5.438 -10.425 4.865 1.00 0.00 C ATOM 307 CG TYR A 22 -4.061 -10.982 4.601 1.00 0.00 C ATOM 308 CD1 TYR A 22 -3.309 -10.508 3.518 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.533 -11.973 5.437 1.00 0.00 C ATOM 310 CE1 TYR A 22 -2.032 -11.024 3.273 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.255 -12.490 5.192 1.00 0.00 C ATOM 312 CZ TYR A 22 -1.505 -12.016 4.109 1.00 0.00 C ATOM 313 OH TYR A 22 -0.246 -12.525 3.867 1.00 0.00 O ATOM 0 H TYR A 22 -7.480 -9.014 4.509 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.662 -10.594 2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.366 -9.385 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.915 -10.976 5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.715 -9.744 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.112 -12.339 6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.452 -10.657 2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.848 -13.254 5.838 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.032 -13.204 4.541 1.00 0.00 H new ATOM 323 N LEU A 23 -6.543 -12.937 3.558 1.00 0.00 N ATOM 324 CA LEU A 23 -7.328 -14.206 3.576 1.00 0.00 C ATOM 325 C LEU A 23 -7.857 -14.495 4.984 1.00 0.00 C ATOM 326 O LEU A 23 -8.835 -15.195 5.156 1.00 0.00 O ATOM 327 CB LEU A 23 -6.338 -15.290 3.143 1.00 0.00 C ATOM 328 CG LEU A 23 -5.618 -14.845 1.870 1.00 0.00 C ATOM 329 CD1 LEU A 23 -4.870 -16.033 1.264 1.00 0.00 C ATOM 330 CD2 LEU A 23 -6.645 -14.322 0.862 1.00 0.00 C ATOM 0 H LEU A 23 -5.532 -13.055 3.492 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.197 -14.157 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.614 -15.475 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.864 -16.228 2.967 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.908 -14.054 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.357 -15.715 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.140 -16.408 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.579 -16.824 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.134 -14.004 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.354 -15.114 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.179 -13.475 1.293 1.00 0.00 H new ATOM 342 N ASP A 24 -7.217 -13.970 5.992 1.00 0.00 N ATOM 343 CA ASP A 24 -7.685 -14.229 7.385 1.00 0.00 C ATOM 344 C ASP A 24 -8.926 -13.387 7.699 1.00 0.00 C ATOM 345 O ASP A 24 -9.412 -13.373 8.813 1.00 0.00 O ATOM 346 CB ASP A 24 -6.516 -13.812 8.278 1.00 0.00 C ATOM 347 CG ASP A 24 -6.092 -12.385 7.931 1.00 0.00 C ATOM 348 OD1 ASP A 24 -6.899 -11.672 7.359 1.00 0.00 O ATOM 349 OD2 ASP A 24 -4.967 -12.031 8.242 1.00 0.00 O ATOM 0 H ASP A 24 -6.393 -13.375 5.913 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.966 -15.271 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.807 -13.871 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.678 -14.495 8.140 1.00 0.00 H new ATOM 354 N GLY A 25 -9.450 -12.692 6.726 1.00 0.00 N ATOM 355 CA GLY A 25 -10.664 -11.864 6.972 1.00 0.00 C ATOM 356 C GLY A 25 -10.254 -10.464 7.431 1.00 0.00 C ATOM 357 O GLY A 25 -11.086 -9.618 7.688 1.00 0.00 O ATOM 0 H GLY A 25 -9.090 -12.662 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.260 -11.798 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.290 -12.336 7.730 1.00 0.00 H new ATOM 361 N THR A 26 -8.978 -10.207 7.530 1.00 0.00 N ATOM 362 CA THR A 26 -8.527 -8.856 7.971 1.00 0.00 C ATOM 363 C THR A 26 -8.814 -7.828 6.876 1.00 0.00 C ATOM 364 O THR A 26 -8.870 -8.152 5.706 1.00 0.00 O ATOM 365 CB THR A 26 -7.022 -8.990 8.200 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.402 -9.427 6.998 1.00 0.00 O ATOM 367 CG2 THR A 26 -6.761 -10.005 9.313 1.00 0.00 C ATOM 0 H THR A 26 -8.231 -10.871 7.326 1.00 0.00 H new ATOM 0 HA THR A 26 -9.043 -8.521 8.871 1.00 0.00 H new ATOM 0 HB THR A 26 -6.609 -8.024 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.722 -10.326 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.687 -10.099 9.475 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.238 -9.667 10.233 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.171 -10.973 9.026 1.00 0.00 H new ATOM 375 N GLU A 27 -9.001 -6.590 7.243 1.00 0.00 N ATOM 376 CA GLU A 27 -9.289 -5.547 6.217 1.00 0.00 C ATOM 377 C GLU A 27 -8.397 -4.322 6.434 1.00 0.00 C ATOM 378 O GLU A 27 -8.234 -3.848 7.541 1.00 0.00 O ATOM 379 CB GLU A 27 -10.760 -5.184 6.425 1.00 0.00 C ATOM 380 CG GLU A 27 -11.639 -6.374 6.040 1.00 0.00 C ATOM 381 CD GLU A 27 -12.845 -6.445 6.981 1.00 0.00 C ATOM 382 OE1 GLU A 27 -13.065 -5.486 7.702 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.524 -7.459 6.966 1.00 0.00 O ATOM 0 H GLU A 27 -8.967 -6.256 8.206 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.094 -5.901 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.934 -4.911 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.020 -4.315 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.975 -6.272 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.064 -7.298 6.098 1.00 0.00 H new ATOM 390 N GLU A 28 -7.822 -3.804 5.383 1.00 0.00 N ATOM 391 CA GLU A 28 -6.944 -2.607 5.524 1.00 0.00 C ATOM 392 C GLU A 28 -7.247 -1.604 4.407 1.00 0.00 C ATOM 393 O GLU A 28 -7.382 -1.966 3.255 1.00 0.00 O ATOM 394 CB GLU A 28 -5.517 -3.141 5.389 1.00 0.00 C ATOM 395 CG GLU A 28 -4.553 -2.215 6.136 1.00 0.00 C ATOM 396 CD GLU A 28 -4.471 -2.640 7.603 1.00 0.00 C ATOM 397 OE1 GLU A 28 -4.775 -3.786 7.885 1.00 0.00 O ATOM 398 OE2 GLU A 28 -4.105 -1.810 8.420 1.00 0.00 O ATOM 0 H GLU A 28 -7.922 -4.158 4.432 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.096 -2.091 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.455 -4.151 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.238 -3.202 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.564 -2.256 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.895 -1.182 6.064 1.00 0.00 H new ATOM 405 N TRP A 29 -7.355 -0.345 4.736 1.00 0.00 N ATOM 406 CA TRP A 29 -7.647 0.671 3.683 1.00 0.00 C ATOM 407 C TRP A 29 -6.492 1.668 3.572 1.00 0.00 C ATOM 408 O TRP A 29 -6.058 2.246 4.549 1.00 0.00 O ATOM 409 CB TRP A 29 -8.931 1.382 4.128 1.00 0.00 C ATOM 410 CG TRP A 29 -9.052 1.352 5.618 1.00 0.00 C ATOM 411 CD1 TRP A 29 -8.861 2.415 6.435 1.00 0.00 C ATOM 412 CD2 TRP A 29 -9.392 0.229 6.480 1.00 0.00 C ATOM 413 NE1 TRP A 29 -9.062 2.013 7.744 1.00 0.00 N ATOM 414 CE2 TRP A 29 -9.391 0.675 7.823 1.00 0.00 C ATOM 415 CE3 TRP A 29 -9.698 -1.121 6.231 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -9.682 -0.188 8.881 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -9.991 -1.992 7.293 1.00 0.00 C ATOM 418 CH2 TRP A 29 -9.983 -1.526 8.615 1.00 0.00 C ATOM 0 H TRP A 29 -7.255 0.023 5.682 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.767 0.210 2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.923 2.414 3.778 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.797 0.899 3.676 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.595 3.412 6.117 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.977 2.630 8.552 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.708 -1.490 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.674 0.176 9.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -10.224 -3.027 7.090 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -10.209 -2.201 9.427 1.00 0.00 H new ATOM 429 N ARG A 30 -5.995 1.873 2.384 1.00 0.00 N ATOM 430 CA ARG A 30 -4.868 2.832 2.198 1.00 0.00 C ATOM 431 C ARG A 30 -5.308 3.979 1.284 1.00 0.00 C ATOM 432 O ARG A 30 -6.268 3.862 0.550 1.00 0.00 O ATOM 433 CB ARG A 30 -3.757 2.015 1.539 1.00 0.00 C ATOM 434 CG ARG A 30 -3.261 0.948 2.518 1.00 0.00 C ATOM 435 CD ARG A 30 -2.604 1.627 3.722 1.00 0.00 C ATOM 436 NE ARG A 30 -2.233 0.513 4.637 1.00 0.00 N ATOM 437 CZ ARG A 30 -1.759 0.771 5.825 1.00 0.00 C ATOM 438 NH1 ARG A 30 -1.612 2.009 6.215 1.00 0.00 N ATOM 439 NH2 ARG A 30 -1.433 -0.207 6.625 1.00 0.00 N ATOM 0 H ARG A 30 -6.321 1.417 1.532 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.539 3.277 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.128 1.544 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.934 2.668 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.093 0.326 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.547 0.289 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.727 2.200 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.290 2.323 4.205 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.350 -0.454 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.868 2.774 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.241 2.211 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.549 -1.174 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.063 -0.004 7.554 1.00 0.00 H new ATOM 453 N CYS A 31 -4.618 5.084 1.325 1.00 0.00 N ATOM 454 CA CYS A 31 -5.011 6.230 0.455 1.00 0.00 C ATOM 455 C CYS A 31 -4.005 6.409 -0.683 1.00 0.00 C ATOM 456 O CYS A 31 -2.918 5.867 -0.658 1.00 0.00 O ATOM 457 CB CYS A 31 -5.003 7.451 1.375 1.00 0.00 C ATOM 458 SG CYS A 31 -5.892 8.805 0.570 1.00 0.00 S ATOM 0 H CYS A 31 -3.804 5.244 1.919 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.985 6.075 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.473 7.207 2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.978 7.751 1.593 1.00 0.00 H new ATOM 463 N LEU A 32 -4.365 7.166 -1.685 1.00 0.00 N ATOM 464 CA LEU A 32 -3.436 7.382 -2.831 1.00 0.00 C ATOM 465 C LEU A 32 -2.281 8.298 -2.419 1.00 0.00 C ATOM 466 O LEU A 32 -2.097 8.598 -1.255 1.00 0.00 O ATOM 467 CB LEU A 32 -4.292 8.053 -3.907 1.00 0.00 C ATOM 468 CG LEU A 32 -5.277 7.037 -4.484 1.00 0.00 C ATOM 469 CD1 LEU A 32 -6.167 7.720 -5.524 1.00 0.00 C ATOM 470 CD2 LEU A 32 -4.501 5.897 -5.148 1.00 0.00 C ATOM 0 H LEU A 32 -5.263 7.644 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.989 6.451 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.833 8.898 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.655 8.448 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.898 6.638 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.869 6.994 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.719 8.533 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.547 8.120 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.202 5.171 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.880 6.298 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.867 5.409 -4.408 1.00 0.00 H new ATOM 482 N LEU A 33 -1.503 8.749 -3.364 1.00 0.00 N ATOM 483 CA LEU A 33 -0.362 9.649 -3.029 1.00 0.00 C ATOM 484 C LEU A 33 -0.838 11.103 -2.980 1.00 0.00 C ATOM 485 O LEU A 33 -1.891 11.439 -3.486 1.00 0.00 O ATOM 486 CB LEU A 33 0.645 9.452 -4.163 1.00 0.00 C ATOM 487 CG LEU A 33 2.001 9.054 -3.578 1.00 0.00 C ATOM 488 CD1 LEU A 33 2.701 8.078 -4.525 1.00 0.00 C ATOM 489 CD2 LEU A 33 2.868 10.304 -3.405 1.00 0.00 C ATOM 0 H LEU A 33 -1.608 8.533 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 33 0.073 9.422 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.292 8.681 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.742 10.371 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 33 1.851 8.576 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.667 7.795 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.085 7.187 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.850 8.555 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.835 10.021 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.016 10.781 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.371 11.001 -2.730 1.00 0.00 H new ATOM 501 N THR A 34 -0.074 11.968 -2.371 1.00 0.00 N ATOM 502 CA THR A 34 -0.489 13.399 -2.289 1.00 0.00 C ATOM 503 C THR A 34 -1.777 13.525 -1.473 1.00 0.00 C ATOM 504 O THR A 34 -2.398 14.569 -1.429 1.00 0.00 O ATOM 505 CB THR A 34 -0.727 13.827 -3.739 1.00 0.00 C ATOM 506 OG1 THR A 34 -0.001 12.969 -4.609 1.00 0.00 O ATOM 507 CG2 THR A 34 -0.258 15.269 -3.931 1.00 0.00 C ATOM 0 H THR A 34 0.818 11.748 -1.927 1.00 0.00 H new ATOM 0 HA THR A 34 0.261 14.021 -1.800 1.00 0.00 H new ATOM 0 HB THR A 34 -1.791 13.761 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.153 13.240 -5.538 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.428 15.572 -4.964 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.816 15.925 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.806 15.339 -3.703 1.00 0.00 H new ATOM 515 N PHE A 35 -2.185 12.465 -0.828 1.00 0.00 N ATOM 516 CA PHE A 35 -3.433 12.518 -0.015 1.00 0.00 C ATOM 517 C PHE A 35 -3.197 11.870 1.350 1.00 0.00 C ATOM 518 O PHE A 35 -2.533 10.859 1.461 1.00 0.00 O ATOM 519 CB PHE A 35 -4.460 11.715 -0.816 1.00 0.00 C ATOM 520 CG PHE A 35 -5.754 12.487 -0.904 1.00 0.00 C ATOM 521 CD1 PHE A 35 -5.755 13.807 -1.370 1.00 0.00 C ATOM 522 CD2 PHE A 35 -6.956 11.880 -0.520 1.00 0.00 C ATOM 523 CE1 PHE A 35 -6.957 14.520 -1.452 1.00 0.00 C ATOM 524 CE2 PHE A 35 -8.158 12.593 -0.602 1.00 0.00 C ATOM 525 CZ PHE A 35 -8.159 13.912 -1.068 1.00 0.00 C ATOM 0 H PHE A 35 -1.707 11.564 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.766 13.540 0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.077 11.513 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.633 10.750 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.828 14.276 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.956 10.862 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.957 15.539 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.085 12.125 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.087 14.462 -1.132 1.00 0.00 H new ATOM 535 N LYS A 36 -3.738 12.440 2.392 1.00 0.00 N ATOM 536 CA LYS A 36 -3.546 11.849 3.748 1.00 0.00 C ATOM 537 C LYS A 36 -4.897 11.431 4.330 1.00 0.00 C ATOM 538 O LYS A 36 -5.830 12.207 4.377 1.00 0.00 O ATOM 539 CB LYS A 36 -2.922 12.968 4.582 1.00 0.00 C ATOM 540 CG LYS A 36 -3.677 14.274 4.333 1.00 0.00 C ATOM 541 CD LYS A 36 -3.619 15.147 5.589 1.00 0.00 C ATOM 542 CE LYS A 36 -3.241 16.577 5.201 1.00 0.00 C ATOM 543 NZ LYS A 36 -4.038 17.446 6.111 1.00 0.00 N ATOM 0 H LYS A 36 -4.304 13.288 2.364 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.917 10.959 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.959 12.711 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.871 13.088 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.238 14.805 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.714 14.063 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.585 15.140 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.889 14.744 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.172 16.750 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.477 16.778 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.491 18.300 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.925 17.719 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.255 16.926 6.985 1.00 0.00 H new ATOM 557 N GLU A 37 -5.011 10.209 4.773 1.00 0.00 N ATOM 558 CA GLU A 37 -6.308 9.748 5.347 1.00 0.00 C ATOM 559 C GLU A 37 -6.275 9.838 6.874 1.00 0.00 C ATOM 560 O GLU A 37 -5.489 9.183 7.529 1.00 0.00 O ATOM 561 CB GLU A 37 -6.447 8.293 4.895 1.00 0.00 C ATOM 562 CG GLU A 37 -7.724 8.138 4.067 1.00 0.00 C ATOM 563 CD GLU A 37 -8.315 6.746 4.294 1.00 0.00 C ATOM 564 OE1 GLU A 37 -8.367 6.325 5.438 1.00 0.00 O ATOM 565 OE2 GLU A 37 -8.706 6.123 3.321 1.00 0.00 O ATOM 0 H GLU A 37 -4.266 9.512 4.763 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.147 10.359 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.579 8.000 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.480 7.633 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.448 8.902 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.504 8.283 3.009 1.00 0.00 H new ATOM 572 N GLU A 38 -7.126 10.646 7.444 1.00 0.00 N ATOM 573 CA GLU A 38 -7.148 10.779 8.928 1.00 0.00 C ATOM 574 C GLU A 38 -8.593 10.811 9.437 1.00 0.00 C ATOM 575 O GLU A 38 -9.263 11.822 9.371 1.00 0.00 O ATOM 576 CB GLU A 38 -6.449 12.108 9.218 1.00 0.00 C ATOM 577 CG GLU A 38 -5.970 12.127 10.671 1.00 0.00 C ATOM 578 CD GLU A 38 -7.003 12.849 11.539 1.00 0.00 C ATOM 579 OE1 GLU A 38 -8.015 13.263 11.000 1.00 0.00 O ATOM 580 OE2 GLU A 38 -6.762 12.976 12.729 1.00 0.00 O ATOM 0 H GLU A 38 -7.807 11.220 6.946 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.656 9.942 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.603 12.241 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.133 12.937 9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.825 11.108 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.005 12.630 10.741 1.00 0.00 H new ATOM 587 N GLY A 39 -9.077 9.710 9.946 1.00 0.00 N ATOM 588 CA GLY A 39 -10.477 9.678 10.459 1.00 0.00 C ATOM 589 C GLY A 39 -11.380 8.959 9.456 1.00 0.00 C ATOM 590 O GLY A 39 -12.585 9.108 9.475 1.00 0.00 O ATOM 0 H GLY A 39 -8.564 8.832 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.510 9.168 11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.837 10.694 10.623 1.00 0.00 H new ATOM 594 N GLY A 40 -10.808 8.182 8.576 1.00 0.00 N ATOM 595 CA GLY A 40 -11.640 7.456 7.573 1.00 0.00 C ATOM 596 C GLY A 40 -11.776 8.314 6.316 1.00 0.00 C ATOM 597 O GLY A 40 -12.264 7.867 5.296 1.00 0.00 O ATOM 0 H GLY A 40 -9.803 8.019 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.180 6.499 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.624 7.239 7.988 1.00 0.00 H new ATOM 601 N LYS A 41 -11.343 9.543 6.378 1.00 0.00 N ATOM 602 CA LYS A 41 -11.440 10.432 5.187 1.00 0.00 C ATOM 603 C LYS A 41 -10.039 10.872 4.757 1.00 0.00 C ATOM 604 O LYS A 41 -9.167 11.082 5.575 1.00 0.00 O ATOM 605 CB LYS A 41 -12.262 11.634 5.652 1.00 0.00 C ATOM 606 CG LYS A 41 -13.743 11.251 5.701 1.00 0.00 C ATOM 607 CD LYS A 41 -14.126 10.867 7.132 1.00 0.00 C ATOM 608 CE LYS A 41 -15.210 9.787 7.097 1.00 0.00 C ATOM 609 NZ LYS A 41 -14.538 8.550 7.581 1.00 0.00 N ATOM 0 H LYS A 41 -10.925 9.971 7.204 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.900 9.936 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.926 11.958 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.115 12.474 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.356 12.085 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.936 10.417 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.250 10.501 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.487 11.743 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.053 10.053 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.602 9.654 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.202 7.998 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.233 7.979 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.709 8.807 8.154 1.00 0.00 H new ATOM 623 N CYS A 42 -9.812 11.009 3.480 1.00 0.00 N ATOM 624 CA CYS A 42 -8.461 11.432 3.014 1.00 0.00 C ATOM 625 C CYS A 42 -8.522 12.826 2.390 1.00 0.00 C ATOM 626 O CYS A 42 -9.462 13.173 1.704 1.00 0.00 O ATOM 627 CB CYS A 42 -8.056 10.391 1.970 1.00 0.00 C ATOM 628 SG CYS A 42 -6.267 10.118 2.059 1.00 0.00 S ATOM 0 H CYS A 42 -10.498 10.848 2.743 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.744 11.487 3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.587 9.456 2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.334 10.732 0.973 1.00 0.00 H new ATOM 633 N VAL A 43 -7.521 13.626 2.629 1.00 0.00 N ATOM 634 CA VAL A 43 -7.511 15.002 2.059 1.00 0.00 C ATOM 635 C VAL A 43 -6.157 15.292 1.410 1.00 0.00 C ATOM 636 O VAL A 43 -5.202 14.568 1.615 1.00 0.00 O ATOM 637 CB VAL A 43 -7.731 15.926 3.256 1.00 0.00 C ATOM 638 CG1 VAL A 43 -8.936 15.437 4.063 1.00 0.00 C ATOM 639 CG2 VAL A 43 -6.483 15.911 4.144 1.00 0.00 C ATOM 0 H VAL A 43 -6.708 13.386 3.196 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.272 15.136 1.291 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.917 16.941 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.093 16.096 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.824 15.444 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.750 14.423 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.637 16.569 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.299 14.896 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.624 16.257 3.570 1.00 0.00 H new ATOM 649 N PRO A 44 -6.117 16.352 0.651 1.00 0.00 N ATOM 650 CA PRO A 44 -4.860 16.746 -0.026 1.00 0.00 C ATOM 651 C PRO A 44 -3.750 16.924 1.013 1.00 0.00 C ATOM 652 O PRO A 44 -3.969 17.466 2.078 1.00 0.00 O ATOM 653 CB PRO A 44 -5.199 18.077 -0.696 1.00 0.00 C ATOM 654 CG PRO A 44 -6.694 18.130 -0.757 1.00 0.00 C ATOM 655 CD PRO A 44 -7.221 17.268 0.360 1.00 0.00 C ATOM 0 HA PRO A 44 -4.505 16.005 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.800 18.916 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.764 18.135 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.046 19.156 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.052 17.770 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.486 17.864 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.119 16.728 0.058 1.00 0.00 H new ATOM 663 N ALA A 45 -2.565 16.471 0.718 1.00 0.00 N ATOM 664 CA ALA A 45 -1.453 16.615 1.699 1.00 0.00 C ATOM 665 C ALA A 45 -0.454 17.670 1.218 1.00 0.00 C ATOM 666 O ALA A 45 -0.634 18.284 0.184 1.00 0.00 O ATOM 667 CB ALA A 45 -0.794 15.238 1.756 1.00 0.00 C ATOM 0 H ALA A 45 -2.318 16.009 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.807 16.938 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.038 15.262 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.525 14.498 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.424 14.970 0.766 1.00 0.00 H new ATOM 673 N SER A 46 0.599 17.884 1.958 1.00 0.00 N ATOM 674 CA SER A 46 1.610 18.898 1.543 1.00 0.00 C ATOM 675 C SER A 46 2.902 18.713 2.343 1.00 0.00 C ATOM 676 O SER A 46 3.987 18.701 1.796 1.00 0.00 O ATOM 677 CB SER A 46 0.973 20.249 1.864 1.00 0.00 C ATOM 678 OG SER A 46 -0.291 20.337 1.219 1.00 0.00 O ATOM 0 H SER A 46 0.803 17.400 2.833 1.00 0.00 H new ATOM 0 HA SER A 46 1.872 18.811 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.853 20.361 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.622 21.059 1.530 1.00 0.00 H new ATOM 0 HG SER A 46 -0.276 19.804 0.397 1.00 0.00 H new ATOM 684 N ASN A 47 2.795 18.570 3.636 1.00 0.00 N ATOM 685 CA ASN A 47 4.016 18.386 4.471 1.00 0.00 C ATOM 686 C ASN A 47 4.393 16.903 4.543 1.00 0.00 C ATOM 687 O ASN A 47 5.328 16.523 5.219 1.00 0.00 O ATOM 688 CB ASN A 47 3.630 18.908 5.857 1.00 0.00 C ATOM 689 CG ASN A 47 3.432 20.423 5.794 1.00 0.00 C ATOM 690 OD1 ASN A 47 3.684 21.039 4.778 1.00 0.00 O ATOM 691 ND2 ASN A 47 2.989 21.055 6.847 1.00 0.00 N ATOM 0 H ASN A 47 1.914 18.573 4.150 1.00 0.00 H new ATOM 0 HA ASN A 47 4.878 18.912 4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.714 18.425 6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.408 18.662 6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.855 22.066 6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.777 20.538 7.700 1.00 0.00 H new ATOM 698 N VAL A 48 3.674 16.063 3.850 1.00 0.00 N ATOM 699 CA VAL A 48 3.996 14.607 3.882 1.00 0.00 C ATOM 700 C VAL A 48 5.039 14.271 2.813 1.00 0.00 C ATOM 701 O VAL A 48 4.888 14.603 1.656 1.00 0.00 O ATOM 702 CB VAL A 48 2.675 13.901 3.583 1.00 0.00 C ATOM 703 CG1 VAL A 48 2.262 14.177 2.136 1.00 0.00 C ATOM 704 CG2 VAL A 48 2.848 12.394 3.784 1.00 0.00 C ATOM 0 H VAL A 48 2.880 16.320 3.264 1.00 0.00 H new ATOM 0 HA VAL A 48 4.414 14.299 4.840 1.00 0.00 H new ATOM 0 HB VAL A 48 1.904 14.274 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.319 13.673 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.140 15.250 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.032 13.805 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.906 11.888 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.620 12.023 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.141 12.196 4.815 1.00 0.00 H new ATOM 714 N THR A 49 6.100 13.616 3.198 1.00 0.00 N ATOM 715 CA THR A 49 7.162 13.259 2.211 1.00 0.00 C ATOM 716 C THR A 49 8.274 12.467 2.905 1.00 0.00 C ATOM 717 O THR A 49 8.218 12.211 4.091 1.00 0.00 O ATOM 718 CB THR A 49 7.697 14.597 1.698 1.00 0.00 C ATOM 719 OG1 THR A 49 7.115 15.659 2.445 1.00 0.00 O ATOM 720 CG2 THR A 49 7.344 14.758 0.220 1.00 0.00 C ATOM 0 H THR A 49 6.279 13.312 4.155 1.00 0.00 H new ATOM 0 HA THR A 49 6.782 12.638 1.400 1.00 0.00 H new ATOM 0 HB THR A 49 8.780 14.622 1.815 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.192 16.495 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.726 15.712 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.793 13.946 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.261 14.731 0.100 1.00 0.00 H new ATOM 728 N CYS A 50 9.285 12.077 2.177 1.00 0.00 N ATOM 729 CA CYS A 50 10.394 11.302 2.807 1.00 0.00 C ATOM 730 C CYS A 50 10.829 11.977 4.109 1.00 0.00 C ATOM 731 O CYS A 50 11.009 11.332 5.122 1.00 0.00 O ATOM 732 CB CYS A 50 11.529 11.312 1.784 1.00 0.00 C ATOM 733 SG CYS A 50 12.170 9.630 1.581 1.00 0.00 S ATOM 0 H CYS A 50 9.392 12.260 1.179 1.00 0.00 H new ATOM 0 HA CYS A 50 10.095 10.285 3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.169 11.694 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.325 11.979 2.114 1.00 0.00 H new ATOM 738 N LYS A 51 10.991 13.273 4.097 1.00 0.00 N ATOM 739 CA LYS A 51 11.403 13.977 5.344 1.00 0.00 C ATOM 740 C LYS A 51 10.583 13.445 6.521 1.00 0.00 C ATOM 741 O LYS A 51 11.054 13.357 7.637 1.00 0.00 O ATOM 742 CB LYS A 51 11.090 15.452 5.093 1.00 0.00 C ATOM 743 CG LYS A 51 9.584 15.625 4.880 1.00 0.00 C ATOM 744 CD LYS A 51 9.320 16.936 4.137 1.00 0.00 C ATOM 745 CE LYS A 51 8.160 17.677 4.807 1.00 0.00 C ATOM 746 NZ LYS A 51 8.743 18.264 6.044 1.00 0.00 N ATOM 0 H LYS A 51 10.857 13.871 3.282 1.00 0.00 H new ATOM 0 HA LYS A 51 12.456 13.827 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.420 16.054 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.635 15.807 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.188 14.785 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.068 15.629 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.215 17.557 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.082 16.733 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.757 18.451 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.340 16.998 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.220 17.917 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.742 17.985 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.676 19.301 6.001 1.00 0.00 H new ATOM 760 N ASP A 52 9.356 13.081 6.268 1.00 0.00 N ATOM 761 CA ASP A 52 8.489 12.541 7.352 1.00 0.00 C ATOM 762 C ASP A 52 8.289 11.038 7.141 1.00 0.00 C ATOM 763 O ASP A 52 9.213 10.322 6.812 1.00 0.00 O ATOM 764 CB ASP A 52 7.160 13.281 7.193 1.00 0.00 C ATOM 765 CG ASP A 52 6.401 13.259 8.520 1.00 0.00 C ATOM 766 OD1 ASP A 52 6.954 12.765 9.488 1.00 0.00 O ATOM 767 OD2 ASP A 52 5.278 13.737 8.546 1.00 0.00 O ATOM 0 H ASP A 52 8.914 13.135 5.350 1.00 0.00 H new ATOM 0 HA ASP A 52 8.917 12.680 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.340 14.310 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.562 12.812 6.412 1.00 0.00 H new ATOM 772 N ASN A 53 7.088 10.558 7.302 1.00 0.00 N ATOM 773 CA ASN A 53 6.836 9.116 7.080 1.00 0.00 C ATOM 774 C ASN A 53 6.432 8.917 5.626 1.00 0.00 C ATOM 775 O ASN A 53 5.374 9.336 5.203 1.00 0.00 O ATOM 776 CB ASN A 53 5.685 8.757 8.022 1.00 0.00 C ATOM 777 CG ASN A 53 6.226 7.966 9.213 1.00 0.00 C ATOM 778 OD1 ASN A 53 5.800 6.856 9.463 1.00 0.00 O ATOM 779 ND2 ASN A 53 7.153 8.493 9.963 1.00 0.00 N ATOM 0 H ASN A 53 6.273 11.105 7.578 1.00 0.00 H new ATOM 0 HA ASN A 53 7.707 8.490 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.189 9.664 8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.937 8.168 7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.521 7.973 10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.510 9.425 9.753 1.00 0.00 H new ATOM 786 N ASN A 54 7.283 8.293 4.868 1.00 0.00 N ATOM 787 CA ASN A 54 7.003 8.055 3.417 1.00 0.00 C ATOM 788 C ASN A 54 5.762 8.829 2.955 1.00 0.00 C ATOM 789 O ASN A 54 4.641 8.462 3.245 1.00 0.00 O ATOM 790 CB ASN A 54 6.792 6.545 3.289 1.00 0.00 C ATOM 791 CG ASN A 54 7.842 5.982 2.328 1.00 0.00 C ATOM 792 OD1 ASN A 54 8.450 6.720 1.580 1.00 0.00 O ATOM 793 ND2 ASN A 54 8.081 4.699 2.307 1.00 0.00 N ATOM 0 H ASN A 54 8.179 7.929 5.193 1.00 0.00 H new ATOM 0 HA ASN A 54 7.822 8.403 2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.878 6.067 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.789 6.334 2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.776 4.320 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.573 4.075 2.934 1.00 0.00 H new ATOM 800 N GLY A 55 5.970 9.906 2.241 1.00 0.00 N ATOM 801 CA GLY A 55 4.828 10.737 1.746 1.00 0.00 C ATOM 802 C GLY A 55 3.621 9.848 1.434 1.00 0.00 C ATOM 803 O GLY A 55 2.484 10.253 1.574 1.00 0.00 O ATOM 0 H GLY A 55 6.893 10.250 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.557 11.479 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.127 11.283 0.851 1.00 0.00 H new ATOM 807 N GLY A 56 3.861 8.642 1.008 1.00 0.00 N ATOM 808 CA GLY A 56 2.739 7.718 0.678 1.00 0.00 C ATOM 809 C GLY A 56 3.310 6.542 -0.105 1.00 0.00 C ATOM 810 O GLY A 56 2.742 6.090 -1.079 1.00 0.00 O ATOM 0 H GLY A 56 4.794 8.252 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.253 7.369 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.981 8.235 0.090 1.00 0.00 H new ATOM 814 N CYS A 57 4.446 6.060 0.310 1.00 0.00 N ATOM 815 CA CYS A 57 5.090 4.928 -0.407 1.00 0.00 C ATOM 816 C CYS A 57 4.990 3.637 0.414 1.00 0.00 C ATOM 817 O CYS A 57 5.332 2.571 -0.055 1.00 0.00 O ATOM 818 CB CYS A 57 6.547 5.368 -0.559 1.00 0.00 C ATOM 819 SG CYS A 57 6.634 6.811 -1.652 1.00 0.00 S ATOM 0 H CYS A 57 4.959 6.405 1.121 1.00 0.00 H new ATOM 0 HA CYS A 57 4.616 4.712 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.968 5.612 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.143 4.552 -0.968 1.00 0.00 H new ATOM 824 N ALA A 58 4.518 3.720 1.629 1.00 0.00 N ATOM 825 CA ALA A 58 4.388 2.491 2.472 1.00 0.00 C ATOM 826 C ALA A 58 5.761 2.029 2.972 1.00 0.00 C ATOM 827 O ALA A 58 6.773 2.308 2.360 1.00 0.00 O ATOM 828 CB ALA A 58 3.770 1.439 1.550 1.00 0.00 C ATOM 0 H ALA A 58 4.216 4.585 2.077 1.00 0.00 H new ATOM 0 HA ALA A 58 3.778 2.668 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.643 0.505 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.799 1.789 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.427 1.272 0.696 1.00 0.00 H new ATOM 834 N PRO A 59 5.744 1.339 4.082 1.00 0.00 N ATOM 835 CA PRO A 59 7.001 0.831 4.688 1.00 0.00 C ATOM 836 C PRO A 59 7.625 -0.262 3.812 1.00 0.00 C ATOM 837 O PRO A 59 8.823 -0.301 3.615 1.00 0.00 O ATOM 838 CB PRO A 59 6.556 0.255 6.032 1.00 0.00 C ATOM 839 CG PRO A 59 5.087 0.003 5.892 1.00 0.00 C ATOM 840 CD PRO A 59 4.562 0.973 4.867 1.00 0.00 C ATOM 0 HA PRO A 59 7.759 1.607 4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.092 -0.666 6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.759 0.953 6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.901 -1.025 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.581 0.142 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.795 0.516 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.111 1.846 5.339 1.00 0.00 H new ATOM 848 N GLU A 60 6.824 -1.145 3.280 1.00 0.00 N ATOM 849 CA GLU A 60 7.382 -2.225 2.413 1.00 0.00 C ATOM 850 C GLU A 60 8.051 -1.602 1.188 1.00 0.00 C ATOM 851 O GLU A 60 8.798 -2.243 0.475 1.00 0.00 O ATOM 852 CB GLU A 60 6.176 -3.069 1.999 1.00 0.00 C ATOM 853 CG GLU A 60 5.570 -3.736 3.235 1.00 0.00 C ATOM 854 CD GLU A 60 6.455 -4.902 3.672 1.00 0.00 C ATOM 855 OE1 GLU A 60 7.499 -4.645 4.251 1.00 0.00 O ATOM 856 OE2 GLU A 60 6.077 -6.035 3.422 1.00 0.00 O ATOM 0 H GLU A 60 5.812 -1.167 3.407 1.00 0.00 H new ATOM 0 HA GLU A 60 8.135 -2.826 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.431 -2.442 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.480 -3.826 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.479 -3.012 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.564 -4.093 3.012 1.00 0.00 H new ATOM 863 N ALA A 61 7.782 -0.352 0.947 1.00 0.00 N ATOM 864 CA ALA A 61 8.388 0.344 -0.222 1.00 0.00 C ATOM 865 C ALA A 61 9.511 1.270 0.249 1.00 0.00 C ATOM 866 O ALA A 61 9.519 1.729 1.374 1.00 0.00 O ATOM 867 CB ALA A 61 7.249 1.151 -0.843 1.00 0.00 C ATOM 0 H ALA A 61 7.162 0.225 1.515 1.00 0.00 H new ATOM 0 HA ALA A 61 8.825 -0.352 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.619 1.693 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.450 0.476 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.864 1.860 -0.110 1.00 0.00 H new ATOM 873 N GLU A 62 10.464 1.542 -0.596 1.00 0.00 N ATOM 874 CA GLU A 62 11.588 2.431 -0.191 1.00 0.00 C ATOM 875 C GLU A 62 11.227 3.885 -0.491 1.00 0.00 C ATOM 876 O GLU A 62 10.507 4.175 -1.426 1.00 0.00 O ATOM 877 CB GLU A 62 12.781 1.983 -1.037 1.00 0.00 C ATOM 878 CG GLU A 62 13.997 1.767 -0.134 1.00 0.00 C ATOM 879 CD GLU A 62 13.996 0.328 0.386 1.00 0.00 C ATOM 880 OE1 GLU A 62 13.370 -0.509 -0.243 1.00 0.00 O ATOM 881 OE2 GLU A 62 14.622 0.088 1.406 1.00 0.00 O ATOM 0 H GLU A 62 10.514 1.187 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 62 11.808 2.367 0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.539 1.061 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.006 2.735 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.915 1.964 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.972 2.467 0.701 1.00 0.00 H new ATOM 888 N CYS A 63 11.688 4.798 0.318 1.00 0.00 N ATOM 889 CA CYS A 63 11.335 6.227 0.102 1.00 0.00 C ATOM 890 C CYS A 63 12.471 6.982 -0.586 1.00 0.00 C ATOM 891 O CYS A 63 13.562 7.108 -0.066 1.00 0.00 O ATOM 892 CB CYS A 63 11.113 6.787 1.507 1.00 0.00 C ATOM 893 SG CYS A 63 10.512 8.490 1.395 1.00 0.00 S ATOM 0 H CYS A 63 12.293 4.616 1.118 1.00 0.00 H new ATOM 0 HA CYS A 63 10.461 6.332 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.392 6.171 2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 63 12.044 6.756 2.073 1.00 0.00 H new ATOM 898 N LYS A 64 12.201 7.501 -1.748 1.00 0.00 N ATOM 899 CA LYS A 64 13.230 8.277 -2.494 1.00 0.00 C ATOM 900 C LYS A 64 12.618 9.606 -2.939 1.00 0.00 C ATOM 901 O LYS A 64 11.553 9.642 -3.521 1.00 0.00 O ATOM 902 CB LYS A 64 13.588 7.411 -3.703 1.00 0.00 C ATOM 903 CG LYS A 64 14.054 6.035 -3.226 1.00 0.00 C ATOM 904 CD LYS A 64 15.556 6.075 -2.938 1.00 0.00 C ATOM 905 CE LYS A 64 15.887 5.092 -1.812 1.00 0.00 C ATOM 906 NZ LYS A 64 16.859 4.136 -2.410 1.00 0.00 N ATOM 0 H LYS A 64 11.300 7.420 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 64 14.113 8.502 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.723 7.307 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.374 7.890 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.508 5.746 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.839 5.283 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.116 5.817 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.856 7.084 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.317 5.606 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.992 4.578 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.134 3.430 -1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.420 3.657 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.703 4.653 -2.729 1.00 0.00 H new ATOM 920 N MET A 65 13.266 10.699 -2.657 1.00 0.00 N ATOM 921 CA MET A 65 12.696 12.016 -3.055 1.00 0.00 C ATOM 922 C MET A 65 13.441 12.589 -4.261 1.00 0.00 C ATOM 923 O MET A 65 14.629 12.394 -4.424 1.00 0.00 O ATOM 924 CB MET A 65 12.875 12.907 -1.830 1.00 0.00 C ATOM 925 CG MET A 65 11.838 14.027 -1.865 1.00 0.00 C ATOM 926 SD MET A 65 12.051 15.085 -0.413 1.00 0.00 S ATOM 927 CE MET A 65 10.355 14.951 0.195 1.00 0.00 C ATOM 0 H MET A 65 14.162 10.739 -2.170 1.00 0.00 H new ATOM 0 HA MET A 65 11.651 11.937 -3.353 1.00 0.00 H new ATOM 0 HB2 MET A 65 12.762 12.319 -0.919 1.00 0.00 H new ATOM 0 HB3 MET A 65 13.881 13.327 -1.815 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.951 14.614 -2.777 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.832 13.607 -1.879 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.998 15.936 0.497 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.715 14.560 -0.596 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.328 14.277 1.051 1.00 0.00 H new ATOM 937 N THR A 66 12.743 13.291 -5.112 1.00 0.00 N ATOM 938 CA THR A 66 13.398 13.877 -6.316 1.00 0.00 C ATOM 939 C THR A 66 14.016 15.239 -5.984 1.00 0.00 C ATOM 940 O THR A 66 13.950 15.711 -4.866 1.00 0.00 O ATOM 941 CB THR A 66 12.272 14.035 -7.340 1.00 0.00 C ATOM 942 OG1 THR A 66 12.798 14.594 -8.536 1.00 0.00 O ATOM 943 CG2 THR A 66 11.191 14.957 -6.775 1.00 0.00 C ATOM 0 H THR A 66 11.745 13.484 -5.025 1.00 0.00 H new ATOM 0 HA THR A 66 14.207 13.249 -6.688 1.00 0.00 H new ATOM 0 HB THR A 66 11.836 13.059 -7.555 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.079 14.695 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.390 15.069 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.789 14.527 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.623 15.934 -6.558 1.00 0.00 H new ATOM 951 N ASP A 67 14.615 15.871 -6.955 1.00 0.00 N ATOM 952 CA ASP A 67 15.245 17.202 -6.716 1.00 0.00 C ATOM 953 C ASP A 67 14.182 18.235 -6.333 1.00 0.00 C ATOM 954 O ASP A 67 14.490 19.313 -5.865 1.00 0.00 O ATOM 955 CB ASP A 67 15.901 17.574 -8.046 1.00 0.00 C ATOM 956 CG ASP A 67 17.071 16.627 -8.321 1.00 0.00 C ATOM 957 OD1 ASP A 67 16.818 15.522 -8.770 1.00 0.00 O ATOM 958 OD2 ASP A 67 18.198 17.025 -8.079 1.00 0.00 O ATOM 0 H ASP A 67 14.696 15.521 -7.910 1.00 0.00 H new ATOM 0 HA ASP A 67 15.966 17.175 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.171 17.512 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.254 18.605 -8.014 1.00 0.00 H new ATOM 963 N SER A 68 12.933 17.914 -6.527 1.00 0.00 N ATOM 964 CA SER A 68 11.852 18.876 -6.171 1.00 0.00 C ATOM 965 C SER A 68 11.344 18.574 -4.763 1.00 0.00 C ATOM 966 O SER A 68 10.386 19.156 -4.294 1.00 0.00 O ATOM 967 CB SER A 68 10.751 18.639 -7.204 1.00 0.00 C ATOM 968 OG SER A 68 11.316 18.042 -8.363 1.00 0.00 O ATOM 0 H SER A 68 12.614 17.027 -6.917 1.00 0.00 H new ATOM 0 HA SER A 68 12.192 19.912 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.979 17.992 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.271 19.582 -7.464 1.00 0.00 H new ATOM 0 HG SER A 68 10.612 17.887 -9.027 1.00 0.00 H new ATOM 974 N ASN A 69 11.987 17.662 -4.089 1.00 0.00 N ATOM 975 CA ASN A 69 11.560 17.304 -2.709 1.00 0.00 C ATOM 976 C ASN A 69 10.254 16.508 -2.749 1.00 0.00 C ATOM 977 O ASN A 69 9.514 16.459 -1.786 1.00 0.00 O ATOM 978 CB ASN A 69 11.362 18.639 -1.988 1.00 0.00 C ATOM 979 CG ASN A 69 12.173 18.641 -0.689 1.00 0.00 C ATOM 980 OD1 ASN A 69 11.620 18.778 0.384 1.00 0.00 O ATOM 981 ND2 ASN A 69 13.467 18.497 -0.743 1.00 0.00 N ATOM 0 H ASN A 69 12.795 17.146 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 69 12.294 16.679 -2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.679 19.462 -2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.305 18.794 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.017 18.499 0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.930 18.382 -1.644 1.00 0.00 H new ATOM 988 N LYS A 70 9.968 15.880 -3.856 1.00 0.00 N ATOM 989 CA LYS A 70 8.713 15.081 -3.959 1.00 0.00 C ATOM 990 C LYS A 70 8.973 13.646 -3.492 1.00 0.00 C ATOM 991 O LYS A 70 9.979 13.052 -3.826 1.00 0.00 O ATOM 992 CB LYS A 70 8.354 15.107 -5.445 1.00 0.00 C ATOM 993 CG LYS A 70 7.002 15.799 -5.631 1.00 0.00 C ATOM 994 CD LYS A 70 5.986 15.205 -4.653 1.00 0.00 C ATOM 995 CE LYS A 70 5.596 16.262 -3.617 1.00 0.00 C ATOM 996 NZ LYS A 70 4.830 15.519 -2.579 1.00 0.00 N ATOM 0 H LYS A 70 10.549 15.885 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 70 7.909 15.479 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.125 15.634 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.312 14.091 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.103 16.871 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.654 15.671 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.102 14.866 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.411 14.333 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.477 16.741 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.991 17.050 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.893 15.954 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.717 14.528 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.344 15.555 -1.676 1.00 0.00 H new ATOM 1010 N ILE A 71 8.085 13.084 -2.718 1.00 0.00 N ATOM 1011 CA ILE A 71 8.304 11.694 -2.234 1.00 0.00 C ATOM 1012 C ILE A 71 8.033 10.679 -3.350 1.00 0.00 C ATOM 1013 O ILE A 71 6.936 10.581 -3.861 1.00 0.00 O ATOM 1014 CB ILE A 71 7.302 11.504 -1.096 1.00 0.00 C ATOM 1015 CG1 ILE A 71 7.224 10.020 -0.743 1.00 0.00 C ATOM 1016 CG2 ILE A 71 5.921 11.994 -1.538 1.00 0.00 C ATOM 1017 CD1 ILE A 71 8.634 9.430 -0.719 1.00 0.00 C ATOM 0 H ILE A 71 7.222 13.526 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 71 9.333 11.539 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 71 7.625 12.076 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.747 9.890 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.609 9.493 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.209 11.857 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.976 13.051 -1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.593 11.423 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.581 8.371 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.094 9.547 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.234 9.951 0.028 1.00 0.00 H new ATOM 1029 N VAL A 72 9.027 9.916 -3.720 1.00 0.00 N ATOM 1030 CA VAL A 72 8.830 8.895 -4.789 1.00 0.00 C ATOM 1031 C VAL A 72 8.629 7.516 -4.150 1.00 0.00 C ATOM 1032 O VAL A 72 9.246 7.189 -3.155 1.00 0.00 O ATOM 1033 CB VAL A 72 10.116 8.926 -5.614 1.00 0.00 C ATOM 1034 CG1 VAL A 72 9.879 8.222 -6.952 1.00 0.00 C ATOM 1035 CG2 VAL A 72 10.523 10.378 -5.870 1.00 0.00 C ATOM 0 H VAL A 72 9.968 9.956 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 72 7.955 9.097 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 72 10.910 8.416 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.795 8.243 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.587 7.187 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.085 8.733 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.440 10.400 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.729 10.888 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.690 10.882 -4.918 1.00 0.00 H new ATOM 1045 N CYS A 73 7.769 6.710 -4.706 1.00 0.00 N ATOM 1046 CA CYS A 73 7.528 5.360 -4.116 1.00 0.00 C ATOM 1047 C CYS A 73 8.193 4.268 -4.955 1.00 0.00 C ATOM 1048 O CYS A 73 8.071 4.231 -6.163 1.00 0.00 O ATOM 1049 CB CYS A 73 6.009 5.189 -4.127 1.00 0.00 C ATOM 1050 SG CYS A 73 5.249 6.454 -3.079 1.00 0.00 S ATOM 0 H CYS A 73 7.223 6.925 -5.541 1.00 0.00 H new ATOM 0 HA CYS A 73 7.947 5.277 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.631 5.271 -5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.742 4.195 -3.767 1.00 0.00 H new ATOM 1055 N LYS A 74 8.885 3.367 -4.313 1.00 0.00 N ATOM 1056 CA LYS A 74 9.554 2.260 -5.052 1.00 0.00 C ATOM 1057 C LYS A 74 9.457 0.969 -4.237 1.00 0.00 C ATOM 1058 O LYS A 74 9.969 0.880 -3.136 1.00 0.00 O ATOM 1059 CB LYS A 74 11.012 2.697 -5.198 1.00 0.00 C ATOM 1060 CG LYS A 74 11.872 1.491 -5.574 1.00 0.00 C ATOM 1061 CD LYS A 74 13.269 1.966 -5.981 1.00 0.00 C ATOM 1062 CE LYS A 74 13.976 0.859 -6.767 1.00 0.00 C ATOM 1063 NZ LYS A 74 15.209 1.498 -7.305 1.00 0.00 N ATOM 0 H LYS A 74 9.016 3.351 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 74 9.096 2.068 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.096 3.469 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.367 3.133 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.941 0.804 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.409 0.943 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.195 2.868 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.849 2.225 -5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.218 0.012 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.345 0.480 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.749 0.801 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.947 2.297 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.793 1.843 -6.517 1.00 0.00 H new ATOM 1077 N CYS A 75 8.802 -0.030 -4.758 1.00 0.00 N ATOM 1078 CA CYS A 75 8.674 -1.309 -4.001 1.00 0.00 C ATOM 1079 C CYS A 75 9.428 -2.431 -4.718 1.00 0.00 C ATOM 1080 O CYS A 75 9.228 -2.677 -5.891 1.00 0.00 O ATOM 1081 CB CYS A 75 7.175 -1.605 -3.975 1.00 0.00 C ATOM 1082 SG CYS A 75 6.903 -3.307 -3.424 1.00 0.00 S ATOM 0 H CYS A 75 8.350 -0.018 -5.672 1.00 0.00 H new ATOM 0 HA CYS A 75 9.095 -1.236 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.668 -0.910 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.748 -1.461 -4.967 1.00 0.00 H new ATOM 1087 N THR A 76 10.292 -3.113 -4.021 1.00 0.00 N ATOM 1088 CA THR A 76 11.056 -4.222 -4.661 1.00 0.00 C ATOM 1089 C THR A 76 12.002 -4.870 -3.647 1.00 0.00 C ATOM 1090 O THR A 76 13.056 -5.365 -3.996 1.00 0.00 O ATOM 1091 CB THR A 76 11.849 -3.557 -5.788 1.00 0.00 C ATOM 1092 OG1 THR A 76 12.736 -4.506 -6.362 1.00 0.00 O ATOM 1093 CG2 THR A 76 12.649 -2.382 -5.226 1.00 0.00 C ATOM 0 H THR A 76 10.503 -2.952 -3.036 1.00 0.00 H new ATOM 0 HA THR A 76 10.403 -5.012 -5.033 1.00 0.00 H new ATOM 0 HB THR A 76 11.162 -3.192 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.276 -4.918 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.214 -1.909 -6.029 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.967 -1.655 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.338 -2.743 -4.462 1.00 0.00 H new ATOM 1101 N LYS A 77 11.635 -4.874 -2.395 1.00 0.00 N ATOM 1102 CA LYS A 77 12.516 -5.492 -1.362 1.00 0.00 C ATOM 1103 C LYS A 77 12.433 -7.019 -1.443 1.00 0.00 C ATOM 1104 O LYS A 77 12.128 -7.687 -0.476 1.00 0.00 O ATOM 1105 CB LYS A 77 11.964 -4.998 -0.024 1.00 0.00 C ATOM 1106 CG LYS A 77 12.881 -5.465 1.109 1.00 0.00 C ATOM 1107 CD LYS A 77 12.173 -5.271 2.452 1.00 0.00 C ATOM 1108 CE LYS A 77 13.056 -4.428 3.376 1.00 0.00 C ATOM 1109 NZ LYS A 77 12.127 -3.448 4.006 1.00 0.00 N ATOM 0 H LYS A 77 10.764 -4.477 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 77 13.563 -5.221 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.895 -3.910 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.955 -5.381 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.141 -6.515 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.813 -4.901 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.212 -4.779 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.968 -6.238 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.546 -5.047 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.843 -3.923 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.659 -2.833 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.681 -2.868 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.392 -3.958 4.537 1.00 0.00 H new ATOM 1123 N GLU A 78 12.702 -7.577 -2.593 1.00 0.00 N ATOM 1124 CA GLU A 78 12.639 -9.060 -2.736 1.00 0.00 C ATOM 1125 C GLU A 78 11.189 -9.541 -2.637 1.00 0.00 C ATOM 1126 O GLU A 78 10.622 -9.617 -1.566 1.00 0.00 O ATOM 1127 CB GLU A 78 13.468 -9.607 -1.572 1.00 0.00 C ATOM 1128 CG GLU A 78 14.313 -10.786 -2.057 1.00 0.00 C ATOM 1129 CD GLU A 78 13.807 -12.077 -1.411 1.00 0.00 C ATOM 1130 OE1 GLU A 78 13.519 -12.050 -0.226 1.00 0.00 O ATOM 1131 OE2 GLU A 78 13.717 -13.071 -2.111 1.00 0.00 O ATOM 0 H GLU A 78 12.962 -7.070 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 78 13.019 -9.398 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.112 -8.825 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.812 -9.925 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.258 -10.864 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.361 -10.626 -1.802 1.00 0.00 H new ATOM 1138 N GLY A 79 10.586 -9.866 -3.747 1.00 0.00 N ATOM 1139 CA GLY A 79 9.173 -10.341 -3.716 1.00 0.00 C ATOM 1140 C GLY A 79 8.260 -9.203 -3.256 1.00 0.00 C ATOM 1141 O GLY A 79 7.170 -9.430 -2.768 1.00 0.00 O ATOM 0 H GLY A 79 11.010 -9.823 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.872 -10.685 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.079 -11.192 -3.041 1.00 0.00 H new ATOM 1145 N SER A 80 8.694 -7.983 -3.408 1.00 0.00 N ATOM 1146 CA SER A 80 7.848 -6.833 -2.977 1.00 0.00 C ATOM 1147 C SER A 80 6.961 -6.366 -4.134 1.00 0.00 C ATOM 1148 O SER A 80 7.377 -6.334 -5.275 1.00 0.00 O ATOM 1149 CB SER A 80 8.840 -5.739 -2.586 1.00 0.00 C ATOM 1150 OG SER A 80 9.797 -6.276 -1.682 1.00 0.00 O ATOM 0 H SER A 80 9.597 -7.732 -3.811 1.00 0.00 H new ATOM 0 HA SER A 80 7.183 -7.094 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.339 -5.350 -3.474 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.314 -4.903 -2.124 1.00 0.00 H new ATOM 0 HG SER A 80 9.340 -6.605 -0.880 1.00 0.00 H new ATOM 1156 N GLU A 81 5.740 -6.006 -3.849 1.00 0.00 N ATOM 1157 CA GLU A 81 4.825 -5.544 -4.933 1.00 0.00 C ATOM 1158 C GLU A 81 4.066 -4.292 -4.490 1.00 0.00 C ATOM 1159 O GLU A 81 3.236 -4.351 -3.604 1.00 0.00 O ATOM 1160 CB GLU A 81 3.858 -6.706 -5.157 1.00 0.00 C ATOM 1161 CG GLU A 81 4.638 -7.940 -5.615 1.00 0.00 C ATOM 1162 CD GLU A 81 3.767 -8.776 -6.556 1.00 0.00 C ATOM 1163 OE1 GLU A 81 2.555 -8.686 -6.444 1.00 0.00 O ATOM 1164 OE2 GLU A 81 4.327 -9.489 -7.370 1.00 0.00 O ATOM 0 H GLU A 81 5.335 -6.011 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 81 5.364 -5.281 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.318 -6.926 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.114 -6.434 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.553 -7.637 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.935 -8.536 -4.752 1.00 0.00 H new ATOM 1171 N PRO A 82 4.378 -3.193 -5.126 1.00 0.00 N ATOM 1172 CA PRO A 82 3.715 -1.910 -4.792 1.00 0.00 C ATOM 1173 C PRO A 82 2.263 -1.926 -5.271 1.00 0.00 C ATOM 1174 O PRO A 82 1.967 -2.366 -6.364 1.00 0.00 O ATOM 1175 CB PRO A 82 4.525 -0.870 -5.564 1.00 0.00 C ATOM 1176 CG PRO A 82 5.197 -1.626 -6.666 1.00 0.00 C ATOM 1177 CD PRO A 82 5.363 -3.051 -6.202 1.00 0.00 C ATOM 0 HA PRO A 82 3.686 -1.710 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.880 -0.086 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.256 -0.384 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.600 -1.587 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.165 -1.183 -6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.175 -3.758 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.375 -3.238 -5.843 1.00 0.00 H new ATOM 1185 N LEU A 83 1.354 -1.450 -4.466 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.073 -1.446 -4.890 1.00 0.00 C ATOM 1187 C LEU A 83 -0.429 -0.115 -5.550 1.00 0.00 C ATOM 1188 O LEU A 83 -0.323 0.935 -4.955 1.00 0.00 O ATOM 1189 CB LEU A 83 -0.868 -1.657 -3.602 1.00 0.00 C ATOM 1190 CG LEU A 83 -1.753 -2.894 -3.748 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -0.872 -4.139 -3.872 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -2.649 -3.027 -2.515 1.00 0.00 C ATOM 0 H LEU A 83 1.536 -1.066 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.290 -2.219 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.189 -1.780 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.481 -0.780 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.372 -2.795 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.503 -5.022 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.231 -4.045 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.254 -4.238 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.281 -3.909 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.029 -3.127 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.276 -2.140 -2.424 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.850 -0.175 -6.787 1.00 0.00 N ATOM 1205 CA PHE A 84 -1.228 1.059 -7.545 1.00 0.00 C ATOM 1206 C PHE A 84 -0.368 2.259 -7.147 1.00 0.00 C ATOM 1207 O PHE A 84 0.452 2.731 -7.910 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.699 1.338 -7.208 1.00 0.00 C ATOM 1209 CG PHE A 84 -3.207 0.367 -6.167 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.731 -0.871 -6.562 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.168 0.710 -4.810 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -4.212 -1.766 -5.599 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.652 -0.184 -3.848 1.00 0.00 C ATOM 1214 CZ PHE A 84 -4.173 -1.422 -4.243 1.00 0.00 C ATOM 0 H PHE A 84 -0.950 -1.042 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.073 0.905 -8.613 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.805 2.359 -6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.304 1.259 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.764 -1.135 -7.609 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.764 1.664 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.613 -2.722 -5.902 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.624 0.081 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.545 -2.112 -3.500 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.570 2.772 -5.972 1.00 0.00 N ATOM 1225 CA GLU A 85 0.210 3.967 -5.529 1.00 0.00 C ATOM 1226 C GLU A 85 1.483 3.568 -4.777 1.00 0.00 C ATOM 1227 O GLU A 85 2.440 4.315 -4.731 1.00 0.00 O ATOM 1228 CB GLU A 85 -0.737 4.733 -4.605 1.00 0.00 C ATOM 1229 CG GLU A 85 -1.425 5.851 -5.392 1.00 0.00 C ATOM 1230 CD GLU A 85 -0.366 6.735 -6.053 1.00 0.00 C ATOM 1231 OE1 GLU A 85 0.788 6.633 -5.669 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -0.727 7.500 -6.933 1.00 0.00 O ATOM 0 H GLU A 85 -1.243 2.418 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 85 0.540 4.563 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.482 4.056 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.183 5.153 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.083 5.425 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.049 6.448 -4.727 1.00 0.00 H new ATOM 1239 N GLY A 86 1.507 2.412 -4.176 1.00 0.00 N ATOM 1240 CA GLY A 86 2.723 2.000 -3.425 1.00 0.00 C ATOM 1241 C GLY A 86 2.430 2.063 -1.927 1.00 0.00 C ATOM 1242 O GLY A 86 3.062 1.392 -1.136 1.00 0.00 O ATOM 0 H GLY A 86 0.741 1.738 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.016 0.989 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.558 2.655 -3.673 1.00 0.00 H new ATOM 1246 N VAL A 87 1.465 2.852 -1.530 1.00 0.00 N ATOM 1247 CA VAL A 87 1.125 2.942 -0.080 1.00 0.00 C ATOM 1248 C VAL A 87 1.102 1.539 0.521 1.00 0.00 C ATOM 1249 O VAL A 87 1.243 1.354 1.714 1.00 0.00 O ATOM 1250 CB VAL A 87 -0.264 3.568 -0.037 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -0.740 3.658 1.414 1.00 0.00 C ATOM 1252 CG2 VAL A 87 -0.208 4.971 -0.644 1.00 0.00 C ATOM 0 H VAL A 87 0.900 3.436 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 87 1.846 3.529 0.488 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.958 2.952 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.733 4.106 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.779 2.658 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.047 4.274 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.201 5.420 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.487 5.587 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.130 4.907 -1.678 1.00 0.00 H new ATOM 1262 N PHE A 88 0.942 0.550 -0.310 1.00 0.00 N ATOM 1263 CA PHE A 88 0.934 -0.852 0.178 1.00 0.00 C ATOM 1264 C PHE A 88 1.800 -1.698 -0.755 1.00 0.00 C ATOM 1265 O PHE A 88 1.388 -2.074 -1.829 1.00 0.00 O ATOM 1266 CB PHE A 88 -0.526 -1.293 0.110 1.00 0.00 C ATOM 1267 CG PHE A 88 -0.713 -2.517 0.972 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -0.462 -3.786 0.444 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.134 -2.379 2.300 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -0.632 -4.924 1.243 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.305 -3.514 3.101 1.00 0.00 C ATOM 1272 CZ PHE A 88 -1.054 -4.788 2.572 1.00 0.00 C ATOM 0 H PHE A 88 0.815 0.656 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 88 1.329 -0.957 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.178 -0.489 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.805 -1.513 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.137 -3.890 -0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.327 -1.397 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.438 -5.905 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.630 -3.409 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.186 -5.664 3.189 1.00 0.00 H new ATOM 1282 N CYS A 89 3.008 -1.981 -0.365 1.00 0.00 N ATOM 1283 CA CYS A 89 3.894 -2.780 -1.253 1.00 0.00 C ATOM 1284 C CYS A 89 4.079 -4.189 -0.691 1.00 0.00 C ATOM 1285 O CYS A 89 4.725 -4.390 0.318 1.00 0.00 O ATOM 1286 CB CYS A 89 5.215 -2.003 -1.276 1.00 0.00 C ATOM 1287 SG CYS A 89 6.613 -3.146 -1.432 1.00 0.00 S ATOM 0 H CYS A 89 3.419 -1.696 0.524 1.00 0.00 H new ATOM 0 HA CYS A 89 3.485 -2.909 -2.255 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.217 -1.300 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.316 -1.416 -0.363 1.00 0.00 H new ATOM 1292 N SER A 90 3.510 -5.166 -1.342 1.00 0.00 N ATOM 1293 CA SER A 90 3.646 -6.568 -0.854 1.00 0.00 C ATOM 1294 C SER A 90 3.311 -7.554 -1.976 1.00 0.00 C ATOM 1295 O SER A 90 2.162 -7.588 -2.384 1.00 0.00 O ATOM 1296 CB SER A 90 2.636 -6.689 0.287 1.00 0.00 C ATOM 1297 OG SER A 90 3.187 -7.494 1.320 1.00 0.00 O ATOM 1298 OXT SER A 90 4.210 -8.259 -2.406 1.00 0.00 O ATOM 0 H SER A 90 2.956 -5.054 -2.191 1.00 0.00 H new ATOM 0 HA SER A 90 4.660 -6.795 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.388 -5.701 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.709 -7.131 -0.078 1.00 0.00 H new ATOM 0 HG SER A 90 2.542 -7.572 2.054 1.00 0.00 H new TER 1304 SER A 90