USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 26 ASN : amide:sc= 0.0142 K(o=-0.16,f=-1.6) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -174:sc= -0.173 (180deg=-0.376) USER MOD Set 2.1: A 30 HIS : no HD1:sc= 0 X(o=-1.2,f=-1.4) USER MOD Set 2.2: A 37 SER OG : rot 150:sc= -1.18 USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.565 K(o=0.56,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 20 SER OG : rot 109:sc=-0.00226 USER MOD Single : A 22 GLN : amide:sc= 0.14 K(o=0.14,f=-5.4!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0.309 (180deg=0.302) USER MOD Single : A 25 SER OG : rot 33:sc= 0.64 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 32 THR OG1 : rot -0:sc= 1.22 USER MOD Single : A 35 SER OG : rot 48:sc= 0.65 USER MOD Single : A 46 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.076) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -133:sc= 0.0941 (180deg=-0.0146) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 60:sc= 0.359 USER MOD Single : A 78 SER OG : rot 24:sc= 1.09 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0881 USER MOD Single : A 81 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.2) USER MOD Single : A 82 THR OG1 : rot -54:sc= 0.319 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.635 -25.792 19.249 1.00 0.00 N ATOM 2 CA VAL A 1 -10.560 -25.436 17.803 1.00 0.00 C ATOM 3 C VAL A 1 -9.887 -24.016 17.623 1.00 0.00 C ATOM 4 O VAL A 1 -10.555 -23.002 17.869 1.00 0.00 O ATOM 5 CB VAL A 1 -11.969 -25.623 17.135 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.121 -24.728 17.652 1.00 0.00 C ATOM 7 CG2 VAL A 1 -11.903 -25.500 15.596 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.079 -26.727 19.354 1.00 0.00 H new ATOM 0 H2 VAL A 1 -9.676 -25.817 19.651 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.203 -25.081 19.753 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.903 -26.116 17.261 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.224 -26.637 17.444 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.035 -24.960 17.106 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.276 -24.913 18.715 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.864 -23.680 17.500 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.900 -25.636 15.177 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -11.528 -24.513 15.326 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -11.235 -26.264 15.198 1.00 0.00 H new ATOM 8 N PRO A 2 -8.592 -23.860 17.198 1.00 0.00 N ATOM 9 CA PRO A 2 -7.945 -22.520 17.067 1.00 0.00 C ATOM 10 C PRO A 2 -8.306 -21.757 15.743 1.00 0.00 C ATOM 11 O PRO A 2 -7.529 -21.708 14.786 1.00 0.00 O ATOM 12 CB PRO A 2 -6.458 -22.903 17.223 1.00 0.00 C ATOM 13 CG PRO A 2 -6.343 -24.299 16.606 1.00 0.00 C ATOM 14 CD PRO A 2 -7.654 -24.985 16.987 1.00 0.00 C ATOM 0 HA PRO A 2 -8.280 -21.784 17.798 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.811 -22.191 16.711 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.160 -22.909 18.271 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.220 -24.248 15.524 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.482 -24.839 17.000 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.001 -25.652 16.198 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.543 -25.588 17.888 1.00 0.00 H new ATOM 15 N ASP A 3 -9.479 -21.097 15.743 1.00 0.00 N ATOM 16 CA ASP A 3 -10.083 -20.369 14.589 1.00 0.00 C ATOM 17 C ASP A 3 -10.775 -21.366 13.576 1.00 0.00 C ATOM 18 O ASP A 3 -10.096 -21.830 12.655 1.00 0.00 O ATOM 19 CB ASP A 3 -9.123 -19.389 13.864 1.00 0.00 C ATOM 20 CG ASP A 3 -8.376 -18.377 14.721 1.00 0.00 C ATOM 21 OD1 ASP A 3 -7.182 -18.871 15.156 1.00 0.00 O ATOM 22 OD2 ASP A 3 -8.806 -17.259 14.982 1.00 0.00 O ATOM 0 H ASP A 3 -10.064 -21.049 16.577 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.850 -19.731 15.027 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.385 -19.980 13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.701 -18.840 13.121 1.00 0.00 H new ATOM 23 N PRO A 4 -12.104 -21.699 13.661 1.00 0.00 N ATOM 24 CA PRO A 4 -12.785 -22.582 12.658 1.00 0.00 C ATOM 25 C PRO A 4 -12.704 -22.200 11.137 1.00 0.00 C ATOM 26 O PRO A 4 -12.502 -23.076 10.294 1.00 0.00 O ATOM 27 CB PRO A 4 -14.236 -22.602 13.186 1.00 0.00 C ATOM 28 CG PRO A 4 -14.120 -22.352 14.689 1.00 0.00 C ATOM 29 CD PRO A 4 -12.954 -21.374 14.825 1.00 0.00 C ATOM 0 HA PRO A 4 -12.275 -23.544 12.609 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -14.841 -21.833 12.705 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.716 -23.559 12.982 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.040 -21.931 15.094 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.927 -23.277 15.232 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.292 -20.338 14.800 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.420 -21.512 15.765 1.00 0.00 H new ATOM 30 N ARG A 5 -12.875 -20.912 10.797 1.00 0.00 N ATOM 31 CA ARG A 5 -12.713 -20.398 9.408 1.00 0.00 C ATOM 32 C ARG A 5 -11.805 -19.125 9.464 1.00 0.00 C ATOM 33 O ARG A 5 -12.286 -18.003 9.649 1.00 0.00 O ATOM 34 CB ARG A 5 -14.111 -20.123 8.780 1.00 0.00 C ATOM 35 CG ARG A 5 -14.938 -21.386 8.423 1.00 0.00 C ATOM 36 CD ARG A 5 -16.278 -21.108 7.720 1.00 0.00 C ATOM 37 NE ARG A 5 -17.277 -20.536 8.660 1.00 0.00 N ATOM 38 CZ ARG A 5 -18.541 -20.262 8.357 1.00 0.00 C ATOM 39 NH1 ARG A 5 -19.078 -20.475 7.183 1.00 0.00 N ATOM 40 NH2 ARG A 5 -19.290 -19.752 9.284 1.00 0.00 N ATOM 0 H ARG A 5 -13.130 -20.190 11.471 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.228 -21.132 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.690 -19.515 9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.974 -19.531 7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.334 -22.028 7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.134 -21.944 9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.119 -20.418 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.666 -22.033 7.294 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.968 -20.338 9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.518 -20.876 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.057 -20.240 7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.904 -19.574 10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -20.266 -19.529 9.086 1.00 0.00 H new ATOM 41 N GLY A 6 -10.481 -19.305 9.329 1.00 0.00 N ATOM 42 CA GLY A 6 -9.507 -18.178 9.396 1.00 0.00 C ATOM 43 C GLY A 6 -8.220 -18.388 8.582 1.00 0.00 C ATOM 44 O GLY A 6 -7.166 -18.725 9.123 1.00 0.00 O ATOM 0 H GLY A 6 -10.050 -20.216 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.998 -17.271 9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.237 -18.011 10.439 1.00 0.00 H new ATOM 45 N ILE A 7 -8.317 -18.137 7.276 1.00 0.00 N ATOM 46 CA ILE A 7 -7.146 -18.170 6.339 1.00 0.00 C ATOM 47 C ILE A 7 -6.669 -16.681 6.182 1.00 0.00 C ATOM 48 O ILE A 7 -7.079 -15.971 5.262 1.00 0.00 O ATOM 49 CB ILE A 7 -7.534 -18.893 4.993 1.00 0.00 C ATOM 50 CG1 ILE A 7 -7.989 -20.374 5.197 1.00 0.00 C ATOM 51 CG2 ILE A 7 -6.347 -18.891 3.988 1.00 0.00 C ATOM 52 CD1 ILE A 7 -8.760 -20.988 4.012 1.00 0.00 C ATOM 0 H ILE A 7 -9.198 -17.904 6.819 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.312 -18.760 6.719 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.374 -18.322 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -7.108 -20.985 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.618 -20.426 6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.647 -19.397 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.065 -17.863 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.497 -19.412 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.032 -22.017 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.663 -20.407 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.130 -20.975 3.122 1.00 0.00 H new ATOM 53 N ILE A 8 -5.821 -16.230 7.127 1.00 0.00 N ATOM 54 CA ILE A 8 -5.330 -14.812 7.256 1.00 0.00 C ATOM 55 C ILE A 8 -6.526 -13.785 7.358 1.00 0.00 C ATOM 56 O ILE A 8 -7.323 -13.888 8.296 1.00 0.00 O ATOM 57 CB ILE A 8 -4.117 -14.454 6.296 1.00 0.00 C ATOM 58 CG1 ILE A 8 -4.388 -14.576 4.765 1.00 0.00 C ATOM 59 CG2 ILE A 8 -2.862 -15.289 6.666 1.00 0.00 C ATOM 60 CD1 ILE A 8 -3.419 -13.787 3.863 1.00 0.00 C ATOM 0 H ILE A 8 -5.440 -16.843 7.847 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.837 -14.710 8.223 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.954 -13.391 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.342 -15.629 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.404 -14.237 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.042 -15.029 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.573 -15.075 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.089 -16.350 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.691 -13.937 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.479 -12.726 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.401 -14.140 4.027 1.00 0.00 H new ATOM 61 N ILE A 9 -6.651 -12.803 6.455 1.00 0.00 N ATOM 62 CA ILE A 9 -7.786 -11.829 6.425 1.00 0.00 C ATOM 63 C ILE A 9 -8.511 -11.828 5.026 1.00 0.00 C ATOM 64 O ILE A 9 -8.104 -12.479 4.057 1.00 0.00 O ATOM 65 CB ILE A 9 -7.348 -10.407 6.937 1.00 0.00 C ATOM 66 CG1 ILE A 9 -6.365 -9.623 6.026 1.00 0.00 C ATOM 67 CG2 ILE A 9 -6.843 -10.461 8.396 1.00 0.00 C ATOM 68 CD1 ILE A 9 -4.883 -10.018 5.980 1.00 0.00 C ATOM 0 H ILE A 9 -5.969 -12.649 5.712 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.542 -12.161 7.136 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.267 -9.822 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.749 -9.683 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.413 -8.575 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.549 -9.462 8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.639 -10.830 9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.984 -11.130 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.352 -9.361 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.451 -9.925 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.792 -11.050 5.640 1.00 0.00 H new ATOM 69 N ASN A 10 -9.632 -11.088 4.939 1.00 0.00 N ATOM 70 CA ASN A 10 -10.526 -11.112 3.738 1.00 0.00 C ATOM 71 C ASN A 10 -11.210 -9.752 3.329 1.00 0.00 C ATOM 72 O ASN A 10 -12.298 -9.409 3.801 1.00 0.00 O ATOM 73 CB ASN A 10 -11.567 -12.269 3.935 1.00 0.00 C ATOM 74 CG ASN A 10 -12.326 -12.423 5.264 1.00 0.00 C ATOM 75 OD1 ASN A 10 -12.234 -13.431 5.951 1.00 0.00 O ATOM 76 ND2 ASN A 10 -13.065 -11.439 5.699 1.00 0.00 N ATOM 0 H ASN A 10 -9.951 -10.463 5.679 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.882 -11.294 2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.315 -12.165 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.042 -13.207 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.549 -11.521 6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.158 -10.588 5.145 1.00 0.00 H new ATOM 77 N LEU A 11 -10.600 -8.991 2.405 1.00 0.00 N ATOM 78 CA LEU A 11 -11.168 -7.759 1.804 1.00 0.00 C ATOM 79 C LEU A 11 -10.383 -7.541 0.451 1.00 0.00 C ATOM 80 O LEU A 11 -9.149 -7.522 0.423 1.00 0.00 O ATOM 81 CB LEU A 11 -11.140 -6.622 2.873 1.00 0.00 C ATOM 82 CG LEU A 11 -11.263 -5.182 2.363 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.670 -4.881 1.830 1.00 0.00 C ATOM 84 CD2 LEU A 11 -10.933 -4.165 3.467 1.00 0.00 C ATOM 0 H LEU A 11 -9.674 -9.216 2.042 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.222 -7.801 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.951 -6.801 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.207 -6.705 3.431 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.544 -5.088 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.713 -3.850 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.898 -5.555 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.399 -5.023 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.030 -3.154 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.623 -4.296 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.912 -4.323 3.813 1.00 0.00 H new ATOM 85 N ASP A 12 -11.060 -7.420 -0.703 1.00 0.00 N ATOM 86 CA ASP A 12 -10.371 -7.302 -2.025 1.00 0.00 C ATOM 87 C ASP A 12 -9.851 -5.854 -2.332 1.00 0.00 C ATOM 88 O ASP A 12 -10.226 -4.869 -1.684 1.00 0.00 O ATOM 89 CB ASP A 12 -11.362 -7.807 -3.110 1.00 0.00 C ATOM 90 CG ASP A 12 -11.650 -9.309 -3.080 1.00 0.00 C ATOM 91 OD1 ASP A 12 -12.506 -9.818 -2.365 1.00 0.00 O ATOM 92 OD2 ASP A 12 -10.834 -10.010 -3.919 1.00 0.00 O ATOM 0 H ASP A 12 -12.078 -7.400 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.468 -7.913 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.304 -7.270 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.964 -7.549 -4.091 1.00 0.00 H new ATOM 93 N GLU A 13 -8.969 -5.724 -3.344 1.00 0.00 N ATOM 94 CA GLU A 13 -8.492 -4.389 -3.808 1.00 0.00 C ATOM 95 C GLU A 13 -9.627 -3.665 -4.628 1.00 0.00 C ATOM 96 O GLU A 13 -10.409 -4.281 -5.361 1.00 0.00 O ATOM 97 CB GLU A 13 -7.089 -4.548 -4.470 1.00 0.00 C ATOM 98 CG GLU A 13 -6.923 -4.431 -6.006 1.00 0.00 C ATOM 99 CD GLU A 13 -7.566 -5.543 -6.838 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.890 -6.647 -6.406 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.735 -5.168 -8.133 1.00 0.00 O ATOM 0 H GLU A 13 -8.572 -6.512 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.311 -3.694 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.435 -3.802 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.706 -5.526 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.343 -3.477 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.858 -4.403 -6.235 1.00 0.00 H new ATOM 102 N GLY A 14 -9.705 -2.343 -4.476 1.00 0.00 N ATOM 103 CA GLY A 14 -10.832 -1.522 -5.018 1.00 0.00 C ATOM 104 C GLY A 14 -12.032 -1.328 -4.036 1.00 0.00 C ATOM 105 O GLY A 14 -13.154 -1.068 -4.473 1.00 0.00 O ATOM 0 H GLY A 14 -9.002 -1.796 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.447 -0.541 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.199 -1.992 -5.930 1.00 0.00 H new ATOM 106 N GLU A 15 -11.788 -1.422 -2.720 1.00 0.00 N ATOM 107 CA GLU A 15 -12.806 -1.305 -1.644 1.00 0.00 C ATOM 108 C GLU A 15 -12.236 -0.402 -0.492 1.00 0.00 C ATOM 109 O GLU A 15 -11.027 -0.380 -0.226 1.00 0.00 O ATOM 110 CB GLU A 15 -13.159 -2.725 -1.113 1.00 0.00 C ATOM 111 CG GLU A 15 -13.798 -3.714 -2.126 1.00 0.00 C ATOM 112 CD GLU A 15 -14.390 -4.971 -1.498 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.661 -4.776 -1.055 1.00 0.00 O ATOM 114 OE2 GLU A 15 -13.796 -6.040 -1.397 1.00 0.00 O ATOM 0 H GLU A 15 -10.850 -1.587 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.715 -0.845 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.247 -3.179 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.842 -2.613 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.583 -3.194 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.041 -4.009 -2.853 1.00 0.00 H new ATOM 115 N LEU A 16 -13.105 0.347 0.210 1.00 0.00 N ATOM 116 CA LEU A 16 -12.674 1.296 1.285 1.00 0.00 C ATOM 117 C LEU A 16 -12.118 0.548 2.554 1.00 0.00 C ATOM 118 O LEU A 16 -12.824 -0.231 3.202 1.00 0.00 O ATOM 119 CB LEU A 16 -13.885 2.230 1.590 1.00 0.00 C ATOM 120 CG LEU A 16 -13.562 3.610 2.232 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.779 4.543 2.113 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.165 3.527 3.716 1.00 0.00 C ATOM 0 H LEU A 16 -14.114 0.323 0.061 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.831 1.900 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.421 2.406 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.566 1.697 2.254 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.704 3.997 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.544 5.507 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.026 4.686 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.630 4.098 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.955 4.528 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.983 3.088 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.275 2.906 3.820 1.00 0.00 H new ATOM 123 N CYS A 17 -10.835 0.780 2.872 1.00 0.00 N ATOM 124 CA CYS A 17 -10.147 0.154 4.031 1.00 0.00 C ATOM 125 C CYS A 17 -9.669 1.191 5.089 1.00 0.00 C ATOM 126 O CYS A 17 -9.361 2.345 4.776 1.00 0.00 O ATOM 127 CB CYS A 17 -8.919 -0.601 3.470 1.00 0.00 C ATOM 128 SG CYS A 17 -7.799 0.520 2.587 1.00 0.00 S ATOM 0 H CYS A 17 -10.236 1.408 2.336 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.849 -0.506 4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.383 -1.084 4.287 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.252 -1.390 2.796 1.00 0.00 H new ATOM 129 N LEU A 18 -9.566 0.754 6.354 1.00 0.00 N ATOM 130 CA LEU A 18 -8.976 1.584 7.433 1.00 0.00 C ATOM 131 C LEU A 18 -7.441 1.266 7.445 1.00 0.00 C ATOM 132 O LEU A 18 -6.675 2.086 6.954 1.00 0.00 O ATOM 133 CB LEU A 18 -9.709 1.378 8.795 1.00 0.00 C ATOM 134 CG LEU A 18 -11.157 1.929 8.912 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.217 0.948 8.380 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.493 2.248 10.379 1.00 0.00 C ATOM 0 H LEU A 18 -9.881 -0.166 6.661 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.109 2.650 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.736 0.309 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.107 1.842 9.576 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.186 2.831 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.208 1.389 8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.025 0.741 7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.169 0.018 8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.511 2.633 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.410 1.341 10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.797 2.997 10.757 1.00 0.00 H new ATOM 137 N ASN A 19 -6.979 0.142 8.023 1.00 0.00 N ATOM 138 CA ASN A 19 -5.542 -0.281 7.970 1.00 0.00 C ATOM 139 C ASN A 19 -5.208 -1.319 6.834 1.00 0.00 C ATOM 140 O ASN A 19 -6.090 -1.947 6.239 1.00 0.00 O ATOM 141 CB ASN A 19 -5.176 -0.796 9.394 1.00 0.00 C ATOM 142 CG ASN A 19 -5.100 0.308 10.452 1.00 0.00 C ATOM 143 OD1 ASN A 19 -4.200 1.137 10.453 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.039 0.373 11.359 1.00 0.00 N ATOM 0 H ASN A 19 -7.576 -0.504 8.540 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.924 0.574 7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.916 -1.533 9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.215 -1.309 9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.019 1.112 12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.792 -0.315 11.364 1.00 0.00 H new ATOM 145 N SER A 20 -3.904 -1.566 6.581 1.00 0.00 N ATOM 146 CA SER A 20 -3.437 -2.622 5.614 1.00 0.00 C ATOM 147 C SER A 20 -3.651 -4.114 6.055 1.00 0.00 C ATOM 148 O SER A 20 -3.729 -4.996 5.197 1.00 0.00 O ATOM 149 CB SER A 20 -1.951 -2.354 5.305 1.00 0.00 C ATOM 150 OG SER A 20 -1.398 -3.332 4.424 1.00 0.00 O ATOM 0 H SER A 20 -3.143 -1.054 7.027 1.00 0.00 H new ATOM 0 HA SER A 20 -4.070 -2.530 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.847 -1.365 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.384 -2.344 6.236 1.00 0.00 H new ATOM 0 HG SER A 20 -1.239 -2.928 3.545 1.00 0.00 H new ATOM 151 N ALA A 21 -3.794 -4.380 7.363 1.00 0.00 N ATOM 152 CA ALA A 21 -4.115 -5.725 7.910 1.00 0.00 C ATOM 153 C ALA A 21 -5.608 -6.214 7.800 1.00 0.00 C ATOM 154 O ALA A 21 -6.019 -7.153 8.479 1.00 0.00 O ATOM 155 CB ALA A 21 -3.678 -5.575 9.376 1.00 0.00 C ATOM 0 H ALA A 21 -3.691 -3.666 8.084 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.613 -6.500 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.861 -6.509 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.615 -5.337 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.248 -4.773 9.845 1.00 0.00 H new ATOM 156 N GLN A 22 -6.406 -5.572 6.942 1.00 0.00 N ATOM 157 CA GLN A 22 -7.800 -5.973 6.609 1.00 0.00 C ATOM 158 C GLN A 22 -7.926 -6.663 5.202 1.00 0.00 C ATOM 159 O GLN A 22 -8.700 -7.614 5.069 1.00 0.00 O ATOM 160 CB GLN A 22 -8.678 -4.698 6.679 1.00 0.00 C ATOM 161 CG GLN A 22 -8.982 -4.174 8.106 1.00 0.00 C ATOM 162 CD GLN A 22 -9.802 -2.889 8.101 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.285 -1.803 7.882 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.089 -2.953 8.318 1.00 0.00 N ATOM 0 H GLN A 22 -6.105 -4.736 6.441 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.133 -6.722 7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.183 -3.906 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.624 -4.901 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.520 -4.941 8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.043 -3.999 8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.531 -3.854 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.652 -2.102 8.304 1.00 0.00 H new ATOM 165 N CYS A 23 -7.205 -6.188 4.168 1.00 0.00 N ATOM 166 CA CYS A 23 -7.280 -6.729 2.793 1.00 0.00 C ATOM 167 C CYS A 23 -6.448 -8.029 2.533 1.00 0.00 C ATOM 168 O CYS A 23 -5.368 -8.228 3.096 1.00 0.00 O ATOM 169 CB CYS A 23 -6.818 -5.584 1.874 1.00 0.00 C ATOM 170 SG CYS A 23 -7.941 -4.177 2.038 1.00 0.00 S ATOM 0 H CYS A 23 -6.549 -5.413 4.262 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.303 -7.052 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.803 -5.283 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.794 -5.923 0.838 1.00 0.00 H new ATOM 171 N LYS A 24 -6.941 -8.882 1.611 1.00 0.00 N ATOM 172 CA LYS A 24 -6.214 -10.100 1.116 1.00 0.00 C ATOM 173 C LYS A 24 -4.816 -9.703 0.519 1.00 0.00 C ATOM 174 O LYS A 24 -3.771 -10.214 0.929 1.00 0.00 O ATOM 175 CB LYS A 24 -7.114 -10.817 0.067 1.00 0.00 C ATOM 176 CG LYS A 24 -8.467 -11.368 0.555 1.00 0.00 C ATOM 177 CD LYS A 24 -9.332 -11.929 -0.588 1.00 0.00 C ATOM 178 CE LYS A 24 -10.678 -12.523 -0.136 1.00 0.00 C ATOM 179 NZ LYS A 24 -11.673 -11.465 0.141 1.00 0.00 N ATOM 0 H LYS A 24 -7.857 -8.757 1.179 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.018 -10.786 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.308 -10.117 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.545 -11.645 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.290 -12.154 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.015 -10.574 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.524 -11.132 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.766 -12.700 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.060 -13.190 -0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.528 -13.126 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.545 -11.896 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.290 -10.805 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.884 -10.949 -0.737 1.00 0.00 H new ATOM 180 N SER A 25 -4.818 -8.764 -0.449 1.00 0.00 N ATOM 181 CA SER A 25 -3.585 -8.112 -0.945 1.00 0.00 C ATOM 182 C SER A 25 -3.314 -6.978 0.105 1.00 0.00 C ATOM 183 O SER A 25 -3.961 -5.925 0.073 1.00 0.00 O ATOM 184 CB SER A 25 -3.795 -7.601 -2.392 1.00 0.00 C ATOM 185 OG SER A 25 -4.811 -6.596 -2.481 1.00 0.00 O ATOM 0 H SER A 25 -5.668 -8.437 -0.908 1.00 0.00 H new ATOM 0 HA SER A 25 -2.723 -8.775 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.856 -7.197 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.063 -8.440 -3.034 1.00 0.00 H new ATOM 0 HG SER A 25 -4.818 -6.064 -1.658 1.00 0.00 H new ATOM 186 N ASN A 26 -2.370 -7.218 1.027 1.00 0.00 N ATOM 187 CA ASN A 26 -2.082 -6.326 2.196 1.00 0.00 C ATOM 188 C ASN A 26 -1.431 -4.954 1.803 1.00 0.00 C ATOM 189 O ASN A 26 -0.237 -4.670 1.929 1.00 0.00 O ATOM 190 CB ASN A 26 -1.232 -7.162 3.202 1.00 0.00 C ATOM 191 CG ASN A 26 0.113 -7.753 2.736 1.00 0.00 C ATOM 192 OD1 ASN A 26 0.171 -8.795 2.094 1.00 0.00 O ATOM 193 ND2 ASN A 26 1.219 -7.123 3.027 1.00 0.00 N ATOM 0 H ASN A 26 -1.770 -8.042 0.995 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.015 -6.014 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.031 -6.530 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.852 -7.989 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.116 -7.499 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.186 -6.254 3.561 1.00 0.00 H new ATOM 194 N CYS A 27 -2.338 -4.072 1.374 1.00 0.00 N ATOM 195 CA CYS A 27 -2.007 -2.751 0.800 1.00 0.00 C ATOM 196 C CYS A 27 -3.212 -1.770 0.941 1.00 0.00 C ATOM 197 O CYS A 27 -3.990 -1.602 -0.002 1.00 0.00 O ATOM 198 CB CYS A 27 -1.621 -3.030 -0.682 1.00 0.00 C ATOM 199 SG CYS A 27 -1.537 -1.544 -1.706 1.00 0.00 S ATOM 0 H CYS A 27 -3.341 -4.252 1.413 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.184 -2.262 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.654 -3.532 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.349 -3.717 -1.114 1.00 0.00 H new ATOM 200 N CYS A 28 -3.396 -1.118 2.112 1.00 0.00 N ATOM 201 CA CYS A 28 -4.426 -0.044 2.250 1.00 0.00 C ATOM 202 C CYS A 28 -3.766 1.239 1.669 1.00 0.00 C ATOM 203 O CYS A 28 -2.790 1.766 2.215 1.00 0.00 O ATOM 204 CB CYS A 28 -4.899 0.135 3.700 1.00 0.00 C ATOM 205 SG CYS A 28 -6.337 1.227 3.774 1.00 0.00 S ATOM 0 H CYS A 28 -2.862 -1.305 2.961 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.338 -0.296 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.151 -0.835 4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.091 0.549 4.303 1.00 0.00 H new ATOM 206 N GLN A 29 -4.248 1.668 0.503 1.00 0.00 N ATOM 207 CA GLN A 29 -3.629 2.777 -0.251 1.00 0.00 C ATOM 208 C GLN A 29 -4.223 4.160 0.122 1.00 0.00 C ATOM 209 O GLN A 29 -5.426 4.413 0.020 1.00 0.00 O ATOM 210 CB GLN A 29 -3.789 2.450 -1.766 1.00 0.00 C ATOM 211 CG GLN A 29 -2.460 2.346 -2.559 1.00 0.00 C ATOM 212 CD GLN A 29 -1.504 3.524 -2.588 1.00 0.00 C ATOM 213 OE1 GLN A 29 -0.295 3.363 -2.474 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.002 4.710 -2.797 1.00 0.00 N ATOM 0 H GLN A 29 -5.070 1.267 0.051 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.573 2.857 0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.327 1.507 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.409 3.220 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.911 1.492 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.716 2.109 -3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.011 4.830 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.383 5.518 -2.868 1.00 0.00 H new ATOM 215 N HIS A 30 -3.333 5.052 0.546 1.00 0.00 N ATOM 216 CA HIS A 30 -3.690 6.409 0.984 1.00 0.00 C ATOM 217 C HIS A 30 -3.873 7.419 -0.189 1.00 0.00 C ATOM 218 O HIS A 30 -3.181 7.387 -1.211 1.00 0.00 O ATOM 219 CB HIS A 30 -2.506 6.849 1.895 1.00 0.00 C ATOM 220 CG HIS A 30 -2.731 8.070 2.775 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.893 8.317 3.488 1.00 0.00 N ATOM 222 CD2 HIS A 30 -1.742 9.011 3.089 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.495 9.433 4.171 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.231 9.931 3.995 1.00 0.00 N ATOM 0 H HIS A 30 -2.333 4.857 0.598 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.655 6.401 1.491 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.244 6.010 2.540 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.643 7.044 1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.742 9.016 2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.178 9.922 4.850 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.781 10.746 4.412 1.00 0.00 H new ATOM 225 N ASP A 31 -4.763 8.384 0.036 1.00 0.00 N ATOM 226 CA ASP A 31 -4.955 9.557 -0.868 1.00 0.00 C ATOM 227 C ASP A 31 -3.740 10.570 -0.971 1.00 0.00 C ATOM 228 O ASP A 31 -3.824 11.545 -1.721 1.00 0.00 O ATOM 229 CB ASP A 31 -6.256 10.277 -0.419 1.00 0.00 C ATOM 230 CG ASP A 31 -6.272 10.954 0.959 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.011 10.363 2.001 1.00 0.00 O ATOM 232 OD2 ASP A 31 -6.660 12.258 0.896 1.00 0.00 O ATOM 0 H ASP A 31 -5.381 8.391 0.847 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.025 9.169 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.491 11.036 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.065 9.547 -0.441 1.00 0.00 H new ATOM 233 N THR A 32 -2.636 10.334 -0.232 1.00 0.00 N ATOM 234 CA THR A 32 -1.398 11.168 -0.166 1.00 0.00 C ATOM 235 C THR A 32 -1.696 12.532 0.546 1.00 0.00 C ATOM 236 O THR A 32 -1.970 13.547 -0.096 1.00 0.00 O ATOM 237 CB THR A 32 -0.619 11.271 -1.519 1.00 0.00 C ATOM 238 OG1 THR A 32 -1.391 11.908 -2.528 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.177 9.918 -2.104 1.00 0.00 C ATOM 0 H THR A 32 -2.572 9.514 0.371 1.00 0.00 H new ATOM 0 HA THR A 32 -0.677 10.645 0.463 1.00 0.00 H new ATOM 0 HB THR A 32 0.264 11.853 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.267 12.152 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.355 10.083 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.481 9.413 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.054 9.298 -2.289 1.00 0.00 H new ATOM 240 N ILE A 33 -1.614 12.516 1.897 1.00 0.00 N ATOM 241 CA ILE A 33 -1.979 13.657 2.806 1.00 0.00 C ATOM 242 C ILE A 33 -3.558 13.737 2.942 1.00 0.00 C ATOM 243 O ILE A 33 -4.311 13.546 1.985 1.00 0.00 O ATOM 244 CB ILE A 33 -1.259 15.032 2.499 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.305 14.983 2.569 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.682 16.148 3.491 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.007 14.683 1.235 1.00 0.00 C ATOM 0 H ILE A 33 -1.286 11.697 2.409 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.568 13.435 3.791 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.574 15.243 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.667 15.940 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.597 14.224 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.162 17.073 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.758 16.307 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.423 15.849 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.086 14.670 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.681 13.712 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.752 15.454 0.508 1.00 0.00 H new ATOM 248 N LEU A 34 -4.038 14.034 4.170 1.00 0.00 N ATOM 249 CA LEU A 34 -5.481 14.053 4.583 1.00 0.00 C ATOM 250 C LEU A 34 -5.924 12.595 4.985 1.00 0.00 C ATOM 251 O LEU A 34 -5.170 11.931 5.705 1.00 0.00 O ATOM 252 CB LEU A 34 -6.385 14.872 3.596 1.00 0.00 C ATOM 253 CG LEU A 34 -7.712 15.434 4.172 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.478 16.633 5.109 1.00 0.00 C ATOM 255 CD2 LEU A 34 -8.638 15.875 3.027 1.00 0.00 C ATOM 0 H LEU A 34 -3.415 14.279 4.940 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.627 14.636 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.800 15.707 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.626 14.234 2.746 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.173 14.633 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.435 16.992 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.850 16.324 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.982 17.433 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.567 16.268 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.146 16.650 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.859 15.020 2.388 1.00 0.00 H new ATOM 256 N SER A 35 -7.120 12.096 4.614 1.00 0.00 N ATOM 257 CA SER A 35 -7.553 10.707 4.962 1.00 0.00 C ATOM 258 C SER A 35 -8.793 10.196 4.147 1.00 0.00 C ATOM 259 O SER A 35 -9.956 10.431 4.490 1.00 0.00 O ATOM 260 CB SER A 35 -7.847 10.577 6.488 1.00 0.00 C ATOM 261 OG SER A 35 -8.979 11.354 6.891 1.00 0.00 O ATOM 0 H SER A 35 -7.808 12.623 4.076 1.00 0.00 H new ATOM 0 HA SER A 35 -6.711 10.072 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.022 9.530 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.971 10.895 7.053 1.00 0.00 H new ATOM 0 HG SER A 35 -9.722 11.194 6.273 1.00 0.00 H new ATOM 262 N LEU A 36 -8.511 9.450 3.078 1.00 0.00 N ATOM 263 CA LEU A 36 -9.518 8.745 2.241 1.00 0.00 C ATOM 264 C LEU A 36 -8.748 7.497 1.697 1.00 0.00 C ATOM 265 O LEU A 36 -8.082 7.566 0.659 1.00 0.00 O ATOM 266 CB LEU A 36 -10.085 9.707 1.156 1.00 0.00 C ATOM 267 CG LEU A 36 -11.160 9.122 0.204 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.470 8.769 0.932 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.470 10.126 -0.917 1.00 0.00 C ATOM 0 H LEU A 36 -7.555 9.307 2.751 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.411 8.419 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.511 10.575 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.253 10.066 0.551 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.747 8.201 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.186 8.364 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.269 8.026 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.884 9.667 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.226 9.708 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.842 11.053 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.562 10.330 -1.484 1.00 0.00 H new ATOM 270 N SER A 37 -8.777 6.374 2.438 1.00 0.00 N ATOM 271 CA SER A 37 -7.959 5.174 2.101 1.00 0.00 C ATOM 272 C SER A 37 -8.793 4.012 1.464 1.00 0.00 C ATOM 273 O SER A 37 -9.868 3.625 1.932 1.00 0.00 O ATOM 274 CB SER A 37 -7.219 4.737 3.385 1.00 0.00 C ATOM 275 OG SER A 37 -6.474 5.817 3.950 1.00 0.00 O ATOM 0 H SER A 37 -9.353 6.264 3.273 1.00 0.00 H new ATOM 0 HA SER A 37 -7.240 5.437 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.940 4.369 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.547 3.910 3.156 1.00 0.00 H new ATOM 0 HG SER A 37 -6.424 5.706 4.922 1.00 0.00 H new ATOM 276 N ARG A 38 -8.265 3.461 0.367 1.00 0.00 N ATOM 277 CA ARG A 38 -8.911 2.380 -0.430 1.00 0.00 C ATOM 278 C ARG A 38 -7.830 1.318 -0.808 1.00 0.00 C ATOM 279 O ARG A 38 -6.738 1.691 -1.250 1.00 0.00 O ATOM 280 CB ARG A 38 -9.548 3.071 -1.669 1.00 0.00 C ATOM 281 CG ARG A 38 -10.459 2.180 -2.542 1.00 0.00 C ATOM 282 CD ARG A 38 -10.962 2.923 -3.789 1.00 0.00 C ATOM 283 NE ARG A 38 -11.901 2.052 -4.539 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.347 2.286 -5.767 1.00 0.00 C ATOM 285 NH1 ARG A 38 -12.013 3.324 -6.488 1.00 0.00 N ATOM 286 NH2 ARG A 38 -13.168 1.426 -6.284 1.00 0.00 N ATOM 0 H ARG A 38 -7.362 3.749 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.689 1.848 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.130 3.926 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.746 3.462 -2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.911 1.289 -2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.311 1.843 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.461 3.848 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.121 3.201 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.230 1.206 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.369 4.020 -6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.397 3.438 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.449 0.604 -5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.533 1.571 -7.225 1.00 0.00 H new ATOM 287 N CYS A 39 -8.077 0.001 -0.652 1.00 0.00 N ATOM 288 CA CYS A 39 -7.056 -1.023 -1.011 1.00 0.00 C ATOM 289 C CYS A 39 -6.751 -1.096 -2.541 1.00 0.00 C ATOM 290 O CYS A 39 -7.578 -0.875 -3.425 1.00 0.00 O ATOM 291 CB CYS A 39 -7.440 -2.410 -0.452 1.00 0.00 C ATOM 292 SG CYS A 39 -7.137 -2.496 1.317 1.00 0.00 S ATOM 0 H CYS A 39 -8.951 -0.379 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.129 -0.699 -0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.492 -2.609 -0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.865 -3.183 -0.961 1.00 0.00 H new ATOM 293 N ALA A 40 -5.485 -1.404 -2.795 1.00 0.00 N ATOM 294 CA ALA A 40 -4.878 -1.429 -4.141 1.00 0.00 C ATOM 295 C ALA A 40 -3.933 -2.658 -4.344 1.00 0.00 C ATOM 296 O ALA A 40 -3.773 -3.526 -3.477 1.00 0.00 O ATOM 297 CB ALA A 40 -4.146 -0.076 -4.196 1.00 0.00 C ATOM 0 H ALA A 40 -4.825 -1.652 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.601 -1.548 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.647 0.029 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.866 0.733 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.406 -0.030 -3.397 1.00 0.00 H new ATOM 298 N LEU A 41 -3.311 -2.733 -5.526 1.00 0.00 N ATOM 299 CA LEU A 41 -2.301 -3.782 -5.822 1.00 0.00 C ATOM 300 C LEU A 41 -0.884 -3.366 -5.291 1.00 0.00 C ATOM 301 O LEU A 41 -0.362 -2.293 -5.612 1.00 0.00 O ATOM 302 CB LEU A 41 -2.332 -4.040 -7.355 1.00 0.00 C ATOM 303 CG LEU A 41 -1.506 -5.249 -7.872 1.00 0.00 C ATOM 304 CD1 LEU A 41 -2.039 -6.603 -7.369 1.00 0.00 C ATOM 305 CD2 LEU A 41 -1.501 -5.264 -9.409 1.00 0.00 C ATOM 0 H LEU A 41 -3.481 -2.087 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.536 -4.712 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.370 -4.183 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.974 -3.142 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.497 -5.121 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.419 -7.408 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.009 -6.624 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.067 -6.737 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.919 -6.115 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.524 -5.346 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.056 -4.341 -9.780 1.00 0.00 H new ATOM 306 N LYS A 42 -0.274 -4.229 -4.465 1.00 0.00 N ATOM 307 CA LYS A 42 1.126 -4.059 -3.967 1.00 0.00 C ATOM 308 C LYS A 42 2.183 -4.042 -5.134 1.00 0.00 C ATOM 309 O LYS A 42 2.008 -4.719 -6.153 1.00 0.00 O ATOM 310 CB LYS A 42 1.363 -5.123 -2.857 1.00 0.00 C ATOM 311 CG LYS A 42 1.049 -6.615 -3.150 1.00 0.00 C ATOM 312 CD LYS A 42 1.111 -7.466 -1.867 1.00 0.00 C ATOM 313 CE LYS A 42 0.635 -8.906 -2.093 1.00 0.00 C ATOM 314 NZ LYS A 42 0.780 -9.667 -0.837 1.00 0.00 N ATOM 0 H LYS A 42 -0.728 -5.072 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 42 1.266 -3.076 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.411 -5.061 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.771 -4.829 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.058 -6.699 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.761 -7.002 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.135 -7.480 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.497 -7.001 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.406 -8.911 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.218 -9.375 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.555 -10.668 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.758 -9.586 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.129 -9.284 -0.122 1.00 0.00 H new ATOM 315 N ALA A 43 3.298 -3.301 -4.981 1.00 0.00 N ATOM 316 CA ALA A 43 4.245 -3.067 -6.103 1.00 0.00 C ATOM 317 C ALA A 43 5.145 -4.254 -6.581 1.00 0.00 C ATOM 318 O ALA A 43 5.494 -5.199 -5.871 1.00 0.00 O ATOM 319 CB ALA A 43 5.104 -1.863 -5.660 1.00 0.00 C ATOM 0 H ALA A 43 3.568 -2.856 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 43 3.644 -2.901 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.830 -1.628 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.461 -0.999 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.629 -2.110 -4.737 1.00 0.00 H new ATOM 320 N ARG A 44 5.491 -4.156 -7.863 1.00 0.00 N ATOM 321 CA ARG A 44 6.248 -5.189 -8.612 1.00 0.00 C ATOM 322 C ARG A 44 7.730 -4.764 -8.828 1.00 0.00 C ATOM 323 O ARG A 44 8.116 -3.609 -8.643 1.00 0.00 O ATOM 324 CB ARG A 44 5.519 -5.412 -9.972 1.00 0.00 C ATOM 325 CG ARG A 44 4.252 -6.301 -9.933 1.00 0.00 C ATOM 326 CD ARG A 44 2.948 -5.643 -9.431 1.00 0.00 C ATOM 327 NE ARG A 44 2.518 -4.534 -10.328 1.00 0.00 N ATOM 328 CZ ARG A 44 1.879 -3.434 -9.945 1.00 0.00 C ATOM 329 NH1 ARG A 44 1.477 -3.194 -8.725 1.00 0.00 N ATOM 330 NH2 ARG A 44 1.634 -2.535 -10.846 1.00 0.00 N ATOM 0 H ARG A 44 5.254 -3.344 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 44 6.277 -6.118 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.241 -4.438 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.227 -5.856 -10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.074 -6.681 -10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.462 -7.163 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.159 -6.393 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.097 -5.259 -8.422 1.00 0.00 H new ATOM 0 HE ARG A 44 2.732 -4.627 -11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.649 -3.878 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.992 -2.323 -8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.930 -2.686 -11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.145 -1.677 -10.591 1.00 0.00 H new ATOM 331 N GLU A 45 8.561 -5.717 -9.270 1.00 0.00 N ATOM 332 CA GLU A 45 10.018 -5.497 -9.511 1.00 0.00 C ATOM 333 C GLU A 45 10.342 -4.258 -10.415 1.00 0.00 C ATOM 334 O GLU A 45 9.652 -3.981 -11.398 1.00 0.00 O ATOM 335 CB GLU A 45 10.619 -6.795 -10.122 1.00 0.00 C ATOM 336 CG GLU A 45 12.142 -6.942 -9.856 1.00 0.00 C ATOM 337 CD GLU A 45 12.761 -8.224 -10.395 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.018 -8.151 -11.729 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.010 -9.207 -9.706 1.00 0.00 O ATOM 0 H GLU A 45 8.255 -6.668 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 45 10.474 -5.269 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.099 -7.659 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.441 -6.800 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.658 -6.091 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.315 -6.895 -8.781 1.00 0.00 H new ATOM 340 N ASN A 46 11.395 -3.522 -10.035 1.00 0.00 N ATOM 341 CA ASN A 46 11.787 -2.216 -10.664 1.00 0.00 C ATOM 342 C ASN A 46 10.685 -1.082 -10.644 1.00 0.00 C ATOM 343 O ASN A 46 10.717 -0.156 -11.455 1.00 0.00 O ATOM 344 CB ASN A 46 12.552 -2.431 -12.008 1.00 0.00 C ATOM 345 CG ASN A 46 11.815 -2.959 -13.241 1.00 0.00 C ATOM 346 OD1 ASN A 46 11.193 -2.228 -13.999 1.00 0.00 O ATOM 347 ND2 ASN A 46 11.892 -4.237 -13.510 1.00 0.00 N ATOM 0 H ASN A 46 12.016 -3.804 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 46 12.517 -1.763 -9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.996 -1.474 -12.283 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.374 -3.117 -11.805 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.437 -4.611 -14.343 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.407 -4.859 -12.887 1.00 0.00 H new ATOM 348 N SER A 47 9.791 -1.095 -9.633 1.00 0.00 N ATOM 349 CA SER A 47 8.768 -0.037 -9.407 1.00 0.00 C ATOM 350 C SER A 47 8.810 0.460 -7.923 1.00 0.00 C ATOM 351 O SER A 47 9.207 -0.250 -6.992 1.00 0.00 O ATOM 352 CB SER A 47 7.371 -0.588 -9.785 1.00 0.00 C ATOM 353 OG SER A 47 7.311 -0.971 -11.160 1.00 0.00 O ATOM 0 H SER A 47 9.754 -1.844 -8.942 1.00 0.00 H new ATOM 0 HA SER A 47 8.984 0.823 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.136 -1.447 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.614 0.170 -9.584 1.00 0.00 H new ATOM 0 HG SER A 47 6.417 -1.316 -11.365 1.00 0.00 H new ATOM 354 N GLU A 48 8.393 1.713 -7.702 1.00 0.00 N ATOM 355 CA GLU A 48 8.461 2.386 -6.387 1.00 0.00 C ATOM 356 C GLU A 48 7.476 1.825 -5.289 1.00 0.00 C ATOM 357 O GLU A 48 6.291 1.543 -5.488 1.00 0.00 O ATOM 358 CB GLU A 48 8.254 3.912 -6.616 1.00 0.00 C ATOM 359 CG GLU A 48 6.860 4.338 -7.152 1.00 0.00 C ATOM 360 CD GLU A 48 6.538 5.834 -7.134 1.00 0.00 C ATOM 361 OE1 GLU A 48 7.055 6.650 -6.374 1.00 0.00 O ATOM 362 OE2 GLU A 48 5.569 6.150 -8.036 1.00 0.00 O ATOM 0 H GLU A 48 7.994 2.299 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 48 9.446 2.178 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.431 4.428 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.013 4.260 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.769 3.984 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.099 3.820 -6.568 1.00 0.00 H new ATOM 363 N CYS A 49 8.056 1.712 -4.108 1.00 0.00 N ATOM 364 CA CYS A 49 7.434 1.200 -2.867 1.00 0.00 C ATOM 365 C CYS A 49 7.925 2.017 -1.624 1.00 0.00 C ATOM 366 O CYS A 49 9.081 2.451 -1.543 1.00 0.00 O ATOM 367 CB CYS A 49 7.825 -0.287 -2.778 1.00 0.00 C ATOM 368 SG CYS A 49 9.616 -0.489 -2.714 1.00 0.00 S ATOM 0 H CYS A 49 9.028 1.986 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 49 6.349 1.307 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.375 -0.731 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.427 -0.822 -3.640 1.00 0.00 H new ATOM 369 N SER A 50 7.077 2.188 -0.598 1.00 0.00 N ATOM 370 CA SER A 50 7.485 2.843 0.680 1.00 0.00 C ATOM 371 C SER A 50 8.299 1.808 1.514 1.00 0.00 C ATOM 372 O SER A 50 7.740 0.868 2.088 1.00 0.00 O ATOM 373 CB SER A 50 6.236 3.346 1.444 1.00 0.00 C ATOM 374 OG SER A 50 5.508 4.312 0.684 1.00 0.00 O ATOM 0 H SER A 50 6.103 1.886 -0.617 1.00 0.00 H new ATOM 0 HA SER A 50 8.110 3.715 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.587 2.502 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.542 3.785 2.394 1.00 0.00 H new ATOM 0 HG SER A 50 4.725 4.607 1.194 1.00 0.00 H new ATOM 375 N ALA A 51 9.632 1.970 1.559 1.00 0.00 N ATOM 376 CA ALA A 51 10.538 0.971 2.205 1.00 0.00 C ATOM 377 C ALA A 51 10.666 0.969 3.773 1.00 0.00 C ATOM 378 O ALA A 51 11.736 0.868 4.378 1.00 0.00 O ATOM 379 CB ALA A 51 11.881 1.279 1.542 1.00 0.00 C ATOM 0 H ALA A 51 10.116 2.775 1.161 1.00 0.00 H new ATOM 0 HA ALA A 51 10.131 -0.029 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.643 0.606 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.795 1.141 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.164 2.310 1.754 1.00 0.00 H new ATOM 380 N PHE A 52 9.510 1.087 4.401 1.00 0.00 N ATOM 381 CA PHE A 52 9.322 1.229 5.862 1.00 0.00 C ATOM 382 C PHE A 52 7.824 0.933 6.182 1.00 0.00 C ATOM 383 O PHE A 52 6.918 1.412 5.486 1.00 0.00 O ATOM 384 CB PHE A 52 9.751 2.653 6.351 1.00 0.00 C ATOM 385 CG PHE A 52 9.041 3.865 5.705 1.00 0.00 C ATOM 386 CD1 PHE A 52 9.525 4.398 4.506 1.00 0.00 C ATOM 387 CD2 PHE A 52 7.846 4.354 6.241 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.825 5.408 3.852 1.00 0.00 C ATOM 389 CE2 PHE A 52 7.144 5.362 5.585 1.00 0.00 C ATOM 390 CZ PHE A 52 7.636 5.892 4.393 1.00 0.00 C ATOM 0 H PHE A 52 8.624 1.088 3.895 1.00 0.00 H new ATOM 0 HA PHE A 52 9.956 0.521 6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.592 2.703 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.823 2.760 6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.447 4.024 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.466 3.949 7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.203 5.816 2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.218 5.733 6.000 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.095 6.679 3.888 1.00 0.00 H new ATOM 391 N THR A 53 7.544 0.191 7.259 1.00 0.00 N ATOM 392 CA THR A 53 6.138 -0.038 7.708 1.00 0.00 C ATOM 393 C THR A 53 5.907 0.632 9.085 1.00 0.00 C ATOM 394 O THR A 53 6.703 0.528 10.023 1.00 0.00 O ATOM 395 CB THR A 53 5.719 -1.532 7.761 1.00 0.00 C ATOM 396 OG1 THR A 53 6.606 -2.303 8.568 1.00 0.00 O ATOM 397 CG2 THR A 53 5.682 -2.149 6.361 1.00 0.00 C ATOM 0 H THR A 53 8.251 -0.262 7.839 1.00 0.00 H new ATOM 0 HA THR A 53 5.502 0.420 6.950 1.00 0.00 H new ATOM 0 HB THR A 53 4.722 -1.553 8.201 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.310 -3.237 8.579 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.385 -3.195 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.963 -1.609 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.671 -2.082 5.908 1.00 0.00 H new ATOM 398 N LEU A 54 4.742 1.267 9.185 1.00 0.00 N ATOM 399 CA LEU A 54 4.274 1.928 10.432 1.00 0.00 C ATOM 400 C LEU A 54 3.338 0.941 11.193 1.00 0.00 C ATOM 401 O LEU A 54 3.755 0.250 12.125 1.00 0.00 O ATOM 402 CB LEU A 54 3.769 3.356 10.010 1.00 0.00 C ATOM 403 CG LEU A 54 2.480 3.530 9.136 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.251 3.963 9.963 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.686 4.572 8.027 1.00 0.00 C ATOM 0 H LEU A 54 4.084 1.346 8.410 1.00 0.00 H new ATOM 0 HA LEU A 54 5.023 2.137 11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.612 3.923 10.927 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.586 3.838 9.473 1.00 0.00 H new ATOM 0 HG LEU A 54 2.294 2.546 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.388 4.068 9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.039 3.210 10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.456 4.918 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.771 4.666 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.931 5.535 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.502 4.255 7.377 1.00 0.00 H new ATOM 406 N TYR A 55 2.096 0.839 10.742 1.00 0.00 N ATOM 407 CA TYR A 55 1.061 -0.086 11.265 1.00 0.00 C ATOM 408 C TYR A 55 -0.116 -0.338 10.231 1.00 0.00 C ATOM 409 O TYR A 55 -0.886 -1.286 10.408 1.00 0.00 O ATOM 410 CB TYR A 55 0.622 0.517 12.644 1.00 0.00 C ATOM 411 CG TYR A 55 -0.649 -0.070 13.240 1.00 0.00 C ATOM 412 CD1 TYR A 55 -0.681 -1.399 13.666 1.00 0.00 C ATOM 413 CD2 TYR A 55 -1.834 0.655 13.122 1.00 0.00 C ATOM 414 CE1 TYR A 55 -1.902 -2.003 13.951 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.049 0.055 13.426 1.00 0.00 C ATOM 416 CZ TYR A 55 -3.087 -1.275 13.838 1.00 0.00 C ATOM 417 OH TYR A 55 -4.291 -1.878 14.080 1.00 0.00 O ATOM 0 H TYR A 55 1.753 1.414 9.972 1.00 0.00 H new ATOM 0 HA TYR A 55 1.446 -1.095 11.413 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.435 0.378 13.357 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.484 1.591 12.524 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.238 -1.956 13.774 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.807 1.684 12.794 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.932 -3.037 14.260 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.965 0.620 13.343 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.013 -1.227 13.957 1.00 0.00 H new ATOM 418 N GLY A 56 -0.269 0.466 9.163 1.00 0.00 N ATOM 419 CA GLY A 56 -1.425 0.340 8.250 1.00 0.00 C ATOM 420 C GLY A 56 -1.291 1.051 6.900 1.00 0.00 C ATOM 421 O GLY A 56 -0.813 0.440 5.951 1.00 0.00 O ATOM 0 H GLY A 56 0.387 1.205 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.604 -0.719 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.308 0.728 8.757 1.00 0.00 H new ATOM 422 N VAL A 57 -1.759 2.296 6.770 1.00 0.00 N ATOM 423 CA VAL A 57 -1.965 2.919 5.418 1.00 0.00 C ATOM 424 C VAL A 57 -0.630 3.441 4.798 1.00 0.00 C ATOM 425 O VAL A 57 0.252 3.975 5.478 1.00 0.00 O ATOM 426 CB VAL A 57 -3.062 4.033 5.406 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.680 4.192 3.998 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.271 3.723 6.290 1.00 0.00 C ATOM 0 H VAL A 57 -2.004 2.899 7.555 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.336 2.112 4.786 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.531 4.917 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.440 4.973 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.900 4.464 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.137 3.251 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.987 4.543 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.744 2.802 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.945 3.603 7.323 1.00 0.00 H new ATOM 429 N TYR A 58 -0.521 3.304 3.471 1.00 0.00 N ATOM 430 CA TYR A 58 0.728 3.582 2.733 1.00 0.00 C ATOM 431 C TYR A 58 0.580 4.575 1.539 1.00 0.00 C ATOM 432 O TYR A 58 -0.403 4.565 0.794 1.00 0.00 O ATOM 433 CB TYR A 58 1.200 2.187 2.220 1.00 0.00 C ATOM 434 CG TYR A 58 1.491 1.087 3.269 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.340 1.344 4.351 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.863 -0.160 3.173 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.615 0.349 5.284 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.171 -1.167 4.088 1.00 0.00 C ATOM 439 CZ TYR A 58 2.041 -0.909 5.145 1.00 0.00 C ATOM 440 OH TYR A 58 2.293 -1.877 6.078 1.00 0.00 O ATOM 0 H TYR A 58 -1.291 2.999 2.875 1.00 0.00 H new ATOM 0 HA TYR A 58 1.438 4.078 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.438 1.806 1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.106 2.336 1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.785 2.322 4.463 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.141 -0.343 2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.274 0.554 6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.734 -2.148 3.977 1.00 0.00 H new ATOM 0 HH TYR A 58 1.816 -2.698 5.835 1.00 0.00 H new ATOM 441 N TYR A 59 1.619 5.401 1.341 1.00 0.00 N ATOM 442 CA TYR A 59 1.735 6.319 0.161 1.00 0.00 C ATOM 443 C TYR A 59 1.983 5.548 -1.192 1.00 0.00 C ATOM 444 O TYR A 59 1.383 5.876 -2.216 1.00 0.00 O ATOM 445 CB TYR A 59 2.881 7.333 0.475 1.00 0.00 C ATOM 446 CG TYR A 59 2.496 8.536 1.355 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.288 8.389 2.733 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.354 9.801 0.776 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.904 9.482 3.509 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.978 10.892 1.554 1.00 0.00 C ATOM 451 CZ TYR A 59 1.737 10.729 2.914 1.00 0.00 C ATOM 452 OH TYR A 59 1.311 11.794 3.657 1.00 0.00 O ATOM 0 H TYR A 59 2.409 5.463 1.984 1.00 0.00 H new ATOM 0 HA TYR A 59 0.791 6.843 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.692 6.794 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.274 7.710 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.426 7.423 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.537 9.932 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.737 9.361 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.873 11.867 1.101 1.00 0.00 H new ATOM 0 HH TYR A 59 1.989 12.502 3.633 1.00 0.00 H new ATOM 453 N LYS A 60 2.896 4.563 -1.164 1.00 0.00 N ATOM 454 CA LYS A 60 3.188 3.618 -2.270 1.00 0.00 C ATOM 455 C LYS A 60 3.370 2.255 -1.522 1.00 0.00 C ATOM 456 O LYS A 60 4.267 2.135 -0.682 1.00 0.00 O ATOM 457 CB LYS A 60 4.473 3.995 -3.072 1.00 0.00 C ATOM 458 CG LYS A 60 4.548 5.399 -3.709 1.00 0.00 C ATOM 459 CD LYS A 60 3.509 5.686 -4.814 1.00 0.00 C ATOM 460 CE LYS A 60 3.468 7.161 -5.253 1.00 0.00 C ATOM 461 NZ LYS A 60 2.833 8.006 -4.220 1.00 0.00 N ATOM 0 H LYS A 60 3.476 4.391 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 60 2.400 3.610 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.327 3.886 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.596 3.261 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.429 6.143 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.545 5.536 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.731 5.064 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.521 5.394 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.481 7.515 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.917 7.250 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.136 8.635 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.356 7.401 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.560 8.578 -3.744 1.00 0.00 H new ATOM 462 N CYS A 61 2.522 1.243 -1.741 1.00 0.00 N ATOM 463 CA CYS A 61 2.579 -0.039 -0.972 1.00 0.00 C ATOM 464 C CYS A 61 3.973 -0.805 -0.926 1.00 0.00 C ATOM 465 O CYS A 61 4.705 -0.777 -1.923 1.00 0.00 O ATOM 466 CB CYS A 61 1.464 -0.904 -1.577 1.00 0.00 C ATOM 467 SG CYS A 61 -0.137 -0.305 -1.017 1.00 0.00 S ATOM 0 H CYS A 61 1.782 1.272 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 61 2.445 0.187 0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.515 -0.872 -2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.597 -1.945 -1.282 1.00 0.00 H new ATOM 468 N PRO A 62 4.367 -1.508 0.185 1.00 0.00 N ATOM 469 CA PRO A 62 5.721 -2.133 0.331 1.00 0.00 C ATOM 470 C PRO A 62 5.970 -3.500 -0.403 1.00 0.00 C ATOM 471 O PRO A 62 6.235 -4.530 0.223 1.00 0.00 O ATOM 472 CB PRO A 62 5.816 -2.209 1.872 1.00 0.00 C ATOM 473 CG PRO A 62 4.389 -2.504 2.334 1.00 0.00 C ATOM 474 CD PRO A 62 3.545 -1.639 1.405 1.00 0.00 C ATOM 0 HA PRO A 62 6.504 -1.558 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.505 -2.992 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.183 -1.273 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.143 -3.561 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.240 -2.238 3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.584 -2.106 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.334 -0.666 1.849 1.00 0.00 H new ATOM 475 N CYS A 63 5.944 -3.470 -1.748 1.00 0.00 N ATOM 476 CA CYS A 63 6.234 -4.634 -2.642 1.00 0.00 C ATOM 477 C CYS A 63 5.323 -5.913 -2.474 1.00 0.00 C ATOM 478 O CYS A 63 4.567 -6.089 -1.514 1.00 0.00 O ATOM 479 CB CYS A 63 7.750 -4.972 -2.548 1.00 0.00 C ATOM 480 SG CYS A 63 8.772 -3.532 -2.910 1.00 0.00 S ATOM 0 H CYS A 63 5.717 -2.622 -2.267 1.00 0.00 H new ATOM 0 HA CYS A 63 5.966 -4.307 -3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.980 -5.341 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.989 -5.774 -3.247 1.00 0.00 H new ATOM 481 N GLU A 64 5.389 -6.809 -3.470 1.00 0.00 N ATOM 482 CA GLU A 64 4.711 -8.132 -3.447 1.00 0.00 C ATOM 483 C GLU A 64 5.389 -9.150 -2.467 1.00 0.00 C ATOM 484 O GLU A 64 6.608 -9.122 -2.270 1.00 0.00 O ATOM 485 CB GLU A 64 4.654 -8.633 -4.919 1.00 0.00 C ATOM 486 CG GLU A 64 6.006 -8.935 -5.636 1.00 0.00 C ATOM 487 CD GLU A 64 5.896 -9.362 -7.095 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.268 -10.559 -7.240 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.344 -8.713 -8.036 1.00 0.00 O ATOM 0 H GLU A 64 5.917 -6.642 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 64 3.701 -8.035 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.053 -9.542 -4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.122 -7.885 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.632 -8.044 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.522 -9.721 -5.084 1.00 0.00 H new ATOM 490 N ARG A 65 4.605 -10.079 -1.885 1.00 0.00 N ATOM 491 CA ARG A 65 5.117 -11.024 -0.840 1.00 0.00 C ATOM 492 C ARG A 65 6.191 -12.022 -1.410 1.00 0.00 C ATOM 493 O ARG A 65 5.897 -12.987 -2.120 1.00 0.00 O ATOM 494 CB ARG A 65 3.907 -11.725 -0.155 1.00 0.00 C ATOM 495 CG ARG A 65 3.979 -11.803 1.394 1.00 0.00 C ATOM 496 CD ARG A 65 3.551 -10.525 2.157 1.00 0.00 C ATOM 497 NE ARG A 65 4.618 -9.484 2.223 1.00 0.00 N ATOM 498 CZ ARG A 65 4.632 -8.337 1.546 1.00 0.00 C ATOM 499 NH1 ARG A 65 3.678 -7.936 0.753 1.00 0.00 N ATOM 500 NH2 ARG A 65 5.672 -7.571 1.658 1.00 0.00 N ATOM 0 H ARG A 65 3.618 -10.205 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 65 5.655 -10.463 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.996 -11.197 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.822 -12.737 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.350 -12.629 1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.002 -12.047 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.671 -10.101 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.258 -10.798 3.171 1.00 0.00 H new ATOM 0 HE ARG A 65 5.408 -9.667 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.849 -8.515 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.760 -7.043 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.451 -7.853 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.711 -6.687 1.151 1.00 0.00 H new ATOM 501 N GLY A 66 7.450 -11.729 -1.071 1.00 0.00 N ATOM 502 CA GLY A 66 8.649 -12.422 -1.633 1.00 0.00 C ATOM 503 C GLY A 66 9.769 -11.467 -2.145 1.00 0.00 C ATOM 504 O GLY A 66 10.948 -11.813 -2.069 1.00 0.00 O ATOM 0 H GLY A 66 7.684 -11.002 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.068 -13.074 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.330 -13.061 -2.456 1.00 0.00 H new ATOM 505 N LEU A 67 9.405 -10.279 -2.659 1.00 0.00 N ATOM 506 CA LEU A 67 10.359 -9.205 -3.047 1.00 0.00 C ATOM 507 C LEU A 67 10.515 -8.139 -1.910 1.00 0.00 C ATOM 508 O LEU A 67 9.605 -7.865 -1.121 1.00 0.00 O ATOM 509 CB LEU A 67 9.831 -8.538 -4.358 1.00 0.00 C ATOM 510 CG LEU A 67 10.405 -9.098 -5.679 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.004 -10.553 -5.968 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.985 -8.216 -6.857 1.00 0.00 C ATOM 0 H LEU A 67 8.430 -10.027 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 67 11.346 -9.638 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.746 -8.641 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.049 -7.471 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 67 11.488 -9.088 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.446 -10.872 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.362 -11.196 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.918 -10.625 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.397 -8.623 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.897 -8.192 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.362 -7.204 -6.706 1.00 0.00 H new ATOM 513 N THR A 68 11.696 -7.510 -1.864 1.00 0.00 N ATOM 514 CA THR A 68 12.033 -6.465 -0.862 1.00 0.00 C ATOM 515 C THR A 68 11.879 -5.023 -1.441 1.00 0.00 C ATOM 516 O THR A 68 12.028 -4.775 -2.640 1.00 0.00 O ATOM 517 CB THR A 68 13.493 -6.746 -0.356 1.00 0.00 C ATOM 518 OG1 THR A 68 13.549 -6.493 1.042 1.00 0.00 O ATOM 519 CG2 THR A 68 14.624 -5.900 -0.965 1.00 0.00 C ATOM 0 H THR A 68 12.454 -7.705 -2.518 1.00 0.00 H new ATOM 0 HA THR A 68 11.334 -6.513 -0.027 1.00 0.00 H new ATOM 0 HB THR A 68 13.669 -7.778 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.456 -6.667 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.577 -6.197 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.655 -6.056 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.442 -4.846 -0.757 1.00 0.00 H new ATOM 520 N CYS A 69 11.639 -4.071 -0.542 1.00 0.00 N ATOM 521 CA CYS A 69 11.632 -2.628 -0.890 1.00 0.00 C ATOM 522 C CYS A 69 13.058 -2.035 -0.615 1.00 0.00 C ATOM 523 O CYS A 69 13.511 -2.022 0.535 1.00 0.00 O ATOM 524 CB CYS A 69 10.476 -1.974 -0.126 1.00 0.00 C ATOM 525 SG CYS A 69 10.238 -0.332 -0.821 1.00 0.00 S ATOM 0 H CYS A 69 11.444 -4.261 0.441 1.00 0.00 H new ATOM 0 HA CYS A 69 11.447 -2.433 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.567 -2.568 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.705 -1.912 0.938 1.00 0.00 H new ATOM 526 N GLU A 70 13.763 -1.517 -1.630 1.00 0.00 N ATOM 527 CA GLU A 70 15.181 -1.085 -1.470 1.00 0.00 C ATOM 528 C GLU A 70 15.376 0.450 -1.204 1.00 0.00 C ATOM 529 O GLU A 70 15.388 1.267 -2.132 1.00 0.00 O ATOM 530 CB GLU A 70 15.903 -1.589 -2.759 1.00 0.00 C ATOM 531 CG GLU A 70 17.454 -1.590 -2.722 1.00 0.00 C ATOM 532 CD GLU A 70 18.074 -2.605 -1.763 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.252 -3.787 -2.035 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.401 -2.051 -0.564 1.00 0.00 O ATOM 0 H GLU A 70 13.388 -1.383 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 70 15.612 -1.517 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.565 -2.604 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.581 -0.969 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.827 -1.787 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.797 -0.593 -2.445 1.00 0.00 H new ATOM 535 N GLY A 71 15.565 0.825 0.078 1.00 0.00 N ATOM 536 CA GLY A 71 15.898 2.222 0.471 1.00 0.00 C ATOM 537 C GLY A 71 14.726 3.168 0.796 1.00 0.00 C ATOM 538 O GLY A 71 13.873 3.417 -0.050 1.00 0.00 O ATOM 0 H GLY A 71 15.494 0.181 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.548 2.180 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.478 2.670 -0.336 1.00 0.00 H new ATOM 539 N ASP A 72 14.724 3.783 1.987 1.00 0.00 N ATOM 540 CA ASP A 72 13.728 4.847 2.357 1.00 0.00 C ATOM 541 C ASP A 72 13.656 6.082 1.376 1.00 0.00 C ATOM 542 O ASP A 72 12.554 6.514 1.027 1.00 0.00 O ATOM 543 CB ASP A 72 14.043 5.302 3.810 1.00 0.00 C ATOM 544 CG ASP A 72 13.790 4.265 4.904 1.00 0.00 C ATOM 545 OD1 ASP A 72 14.521 3.297 5.082 1.00 0.00 O ATOM 546 OD2 ASP A 72 12.685 4.548 5.653 1.00 0.00 O ATOM 0 H ASP A 72 15.396 3.574 2.726 1.00 0.00 H new ATOM 0 HA ASP A 72 12.736 4.402 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.089 5.603 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.446 6.187 4.030 1.00 0.00 H new ATOM 547 N LYS A 73 14.819 6.635 0.964 1.00 0.00 N ATOM 548 CA LYS A 73 14.954 7.724 -0.059 1.00 0.00 C ATOM 549 C LYS A 73 14.118 9.013 0.284 1.00 0.00 C ATOM 550 O LYS A 73 14.525 9.765 1.170 1.00 0.00 O ATOM 551 CB LYS A 73 14.764 7.108 -1.489 1.00 0.00 C ATOM 552 CG LYS A 73 15.736 5.966 -1.890 1.00 0.00 C ATOM 553 CD LYS A 73 15.547 5.452 -3.335 1.00 0.00 C ATOM 554 CE LYS A 73 16.325 6.227 -4.412 1.00 0.00 C ATOM 555 NZ LYS A 73 17.756 5.863 -4.414 1.00 0.00 N ATOM 0 H LYS A 73 15.720 6.336 1.337 1.00 0.00 H new ATOM 0 HA LYS A 73 15.965 8.132 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.745 6.729 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.861 7.910 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.761 6.318 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.604 5.133 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.849 4.405 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.486 5.487 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.895 6.021 -5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.221 7.298 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.251 6.404 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.171 6.083 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.855 4.846 -4.605 1.00 0.00 H new ATOM 556 N SER A 74 12.963 9.244 -0.370 1.00 0.00 N ATOM 557 CA SER A 74 12.000 10.349 -0.095 1.00 0.00 C ATOM 558 C SER A 74 12.554 11.766 -0.472 1.00 0.00 C ATOM 559 O SER A 74 13.384 12.350 0.230 1.00 0.00 O ATOM 560 CB SER A 74 11.443 10.254 1.350 1.00 0.00 C ATOM 561 OG SER A 74 10.869 8.965 1.595 1.00 0.00 O ATOM 0 H SER A 74 12.655 8.646 -1.137 1.00 0.00 H new ATOM 0 HA SER A 74 11.152 10.214 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.244 10.441 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.690 11.027 1.505 1.00 0.00 H new ATOM 0 HG SER A 74 11.553 8.274 1.475 1.00 0.00 H new ATOM 562 N LEU A 75 12.068 12.339 -1.591 1.00 0.00 N ATOM 563 CA LEU A 75 12.442 13.710 -2.039 1.00 0.00 C ATOM 564 C LEU A 75 11.840 14.791 -1.082 1.00 0.00 C ATOM 565 O LEU A 75 10.663 15.159 -1.154 1.00 0.00 O ATOM 566 CB LEU A 75 11.996 13.956 -3.521 1.00 0.00 C ATOM 567 CG LEU A 75 13.099 13.905 -4.611 1.00 0.00 C ATOM 568 CD1 LEU A 75 12.460 14.096 -6.000 1.00 0.00 C ATOM 569 CD2 LEU A 75 14.175 14.994 -4.438 1.00 0.00 C ATOM 0 H LEU A 75 11.407 11.873 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 75 13.528 13.795 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.237 13.215 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.516 14.933 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 75 13.580 12.932 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.235 14.060 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.736 13.301 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.956 15.062 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.916 14.903 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.708 15.978 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.663 14.873 -3.471 1.00 0.00 H new ATOM 570 N VAL A 76 12.701 15.284 -0.187 1.00 0.00 N ATOM 571 CA VAL A 76 12.380 16.398 0.771 1.00 0.00 C ATOM 572 C VAL A 76 12.259 17.809 0.056 1.00 0.00 C ATOM 573 O VAL A 76 13.048 18.744 0.208 1.00 0.00 O ATOM 574 CB VAL A 76 13.399 16.308 1.966 1.00 0.00 C ATOM 575 CG1 VAL A 76 14.883 16.603 1.636 1.00 0.00 C ATOM 576 CG2 VAL A 76 12.984 17.190 3.163 1.00 0.00 C ATOM 0 H VAL A 76 13.654 14.933 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 76 11.380 16.281 1.189 1.00 0.00 H new ATOM 0 HB VAL A 76 13.345 15.250 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.483 16.509 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.238 15.892 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.974 17.616 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.721 17.091 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.930 18.231 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.008 16.871 3.529 1.00 0.00 H new ATOM 577 N GLY A 77 11.186 17.918 -0.729 1.00 0.00 N ATOM 578 CA GLY A 77 10.876 19.081 -1.608 1.00 0.00 C ATOM 579 C GLY A 77 9.913 18.690 -2.761 1.00 0.00 C ATOM 580 O GLY A 77 10.220 18.882 -3.938 1.00 0.00 O ATOM 0 H GLY A 77 10.478 17.185 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.427 19.877 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.801 19.478 -2.026 1.00 0.00 H new ATOM 581 N SER A 78 8.761 18.098 -2.414 1.00 0.00 N ATOM 582 CA SER A 78 7.790 17.480 -3.364 1.00 0.00 C ATOM 583 C SER A 78 6.498 17.102 -2.566 1.00 0.00 C ATOM 584 O SER A 78 6.567 16.611 -1.433 1.00 0.00 O ATOM 585 CB SER A 78 8.394 16.224 -4.046 1.00 0.00 C ATOM 586 OG SER A 78 9.358 16.588 -5.034 1.00 0.00 O ATOM 0 H SER A 78 8.460 18.027 -1.442 1.00 0.00 H new ATOM 0 HA SER A 78 7.551 18.192 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.862 15.588 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.598 15.639 -4.508 1.00 0.00 H new ATOM 0 HG SER A 78 9.713 17.479 -4.832 1.00 0.00 H new ATOM 587 N ILE A 79 5.307 17.299 -3.154 1.00 0.00 N ATOM 588 CA ILE A 79 4.012 17.097 -2.420 1.00 0.00 C ATOM 589 C ILE A 79 3.503 15.619 -2.244 1.00 0.00 C ATOM 590 O ILE A 79 3.124 15.275 -1.122 1.00 0.00 O ATOM 591 CB ILE A 79 2.873 18.027 -2.995 1.00 0.00 C ATOM 592 CG1 ILE A 79 2.585 17.879 -4.523 1.00 0.00 C ATOM 593 CG2 ILE A 79 3.157 19.516 -2.658 1.00 0.00 C ATOM 594 CD1 ILE A 79 1.204 18.399 -4.968 1.00 0.00 C ATOM 0 H ILE A 79 5.196 17.595 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 79 4.263 17.394 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 79 1.968 17.681 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.356 18.413 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.667 16.827 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.360 20.139 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.202 19.642 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.109 19.813 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.090 18.256 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.422 17.849 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.121 19.460 -4.732 1.00 0.00 H new ATOM 595 N THR A 80 3.465 14.748 -3.275 1.00 0.00 N ATOM 596 CA THR A 80 2.828 13.390 -3.145 1.00 0.00 C ATOM 597 C THR A 80 3.629 12.172 -3.704 1.00 0.00 C ATOM 598 O THR A 80 4.075 11.291 -2.965 1.00 0.00 O ATOM 599 CB THR A 80 1.385 13.435 -3.715 1.00 0.00 C ATOM 600 OG1 THR A 80 1.349 13.769 -5.100 1.00 0.00 O ATOM 601 CG2 THR A 80 0.399 14.396 -3.033 1.00 0.00 C ATOM 0 H THR A 80 3.856 14.942 -4.197 1.00 0.00 H new ATOM 0 HA THR A 80 2.819 13.191 -2.073 1.00 0.00 H new ATOM 0 HB THR A 80 1.062 12.413 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.419 13.782 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.571 14.332 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.292 14.123 -1.983 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.776 15.416 -3.106 1.00 0.00 H new ATOM 602 N ASN A 81 3.744 12.108 -5.026 1.00 0.00 N ATOM 603 CA ASN A 81 4.595 11.124 -5.756 1.00 0.00 C ATOM 604 C ASN A 81 6.004 11.796 -5.753 1.00 0.00 C ATOM 605 O ASN A 81 6.384 12.535 -6.667 1.00 0.00 O ATOM 606 CB ASN A 81 3.980 10.852 -7.152 1.00 0.00 C ATOM 607 CG ASN A 81 4.761 9.844 -8.005 1.00 0.00 C ATOM 608 OD1 ASN A 81 4.554 8.638 -7.965 1.00 0.00 O ATOM 609 ND2 ASN A 81 5.703 10.291 -8.794 1.00 0.00 N ATOM 0 H ASN A 81 3.246 12.743 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 81 4.665 10.131 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.961 10.486 -7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.913 11.794 -7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.247 9.639 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.894 11.292 -8.844 1.00 0.00 H new ATOM 610 N THR A 82 6.747 11.516 -4.680 1.00 0.00 N ATOM 611 CA THR A 82 8.022 12.216 -4.385 1.00 0.00 C ATOM 612 C THR A 82 9.213 11.379 -4.946 1.00 0.00 C ATOM 613 O THR A 82 9.563 11.563 -6.114 1.00 0.00 O ATOM 614 CB THR A 82 7.998 12.619 -2.855 1.00 0.00 C ATOM 615 OG1 THR A 82 8.199 11.494 -2.006 1.00 0.00 O ATOM 616 CG2 THR A 82 6.681 13.278 -2.345 1.00 0.00 C ATOM 0 H THR A 82 6.495 10.807 -3.991 1.00 0.00 H new ATOM 0 HA THR A 82 8.162 13.166 -4.900 1.00 0.00 H new ATOM 0 HB THR A 82 8.806 13.349 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.547 10.797 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.778 13.512 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.493 14.195 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.849 12.589 -2.490 1.00 0.00 H new ATOM 617 N ASN A 83 9.846 10.485 -4.173 1.00 0.00 N ATOM 618 CA ASN A 83 10.902 9.567 -4.699 1.00 0.00 C ATOM 619 C ASN A 83 11.079 8.384 -3.697 1.00 0.00 C ATOM 620 O ASN A 83 11.969 8.412 -2.845 1.00 0.00 O ATOM 621 CB ASN A 83 12.224 10.347 -4.964 1.00 0.00 C ATOM 622 CG ASN A 83 13.260 9.602 -5.797 1.00 0.00 C ATOM 623 OD1 ASN A 83 13.309 9.692 -7.016 1.00 0.00 O ATOM 624 ND2 ASN A 83 14.116 8.836 -5.182 1.00 0.00 N ATOM 0 H ASN A 83 9.654 10.368 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 83 10.603 9.150 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.981 11.283 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.672 10.608 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.815 8.321 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.087 8.752 -4.166 1.00 0.00 H new ATOM 625 N PHE A 84 10.271 7.326 -3.806 1.00 0.00 N ATOM 626 CA PHE A 84 10.289 6.204 -2.820 1.00 0.00 C ATOM 627 C PHE A 84 11.195 5.013 -3.306 1.00 0.00 C ATOM 628 O PHE A 84 11.552 4.901 -4.484 1.00 0.00 O ATOM 629 CB PHE A 84 8.808 5.779 -2.570 1.00 0.00 C ATOM 630 CG PHE A 84 7.874 6.840 -1.945 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.826 7.023 -0.558 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.079 7.646 -2.768 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.994 7.996 -0.006 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.244 8.613 -2.215 1.00 0.00 C ATOM 635 CZ PHE A 84 6.200 8.787 -0.835 1.00 0.00 C ATOM 0 H PHE A 84 9.593 7.208 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 84 10.736 6.527 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 84 8.379 5.467 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.811 4.904 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.436 6.408 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.114 7.517 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.965 8.137 1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.631 9.228 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.550 9.535 -0.406 1.00 0.00 H new ATOM 636 N GLY A 85 11.591 4.127 -2.374 1.00 0.00 N ATOM 637 CA GLY A 85 12.460 2.945 -2.682 1.00 0.00 C ATOM 638 C GLY A 85 11.976 1.963 -3.766 1.00 0.00 C ATOM 639 O GLY A 85 10.781 1.844 -4.005 1.00 0.00 O ATOM 0 H GLY A 85 11.328 4.197 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.440 3.318 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.601 2.383 -1.759 1.00 0.00 H new ATOM 640 N ILE A 86 12.878 1.240 -4.431 1.00 0.00 N ATOM 641 CA ILE A 86 12.493 0.392 -5.606 1.00 0.00 C ATOM 642 C ILE A 86 12.345 -1.113 -5.183 1.00 0.00 C ATOM 643 O ILE A 86 13.188 -1.667 -4.473 1.00 0.00 O ATOM 644 CB ILE A 86 13.518 0.617 -6.779 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.668 2.095 -7.263 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.141 -0.227 -8.019 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.421 2.739 -7.904 1.00 0.00 C ATOM 0 H ILE A 86 13.870 1.211 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 86 11.513 0.693 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 86 14.469 0.311 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.967 2.705 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.483 2.136 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.867 -0.051 -8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.142 -1.284 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.148 0.059 -8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.651 3.763 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.127 2.166 -8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.603 2.743 -7.184 1.00 0.00 H new ATOM 648 N CYS A 87 11.296 -1.800 -5.667 1.00 0.00 N ATOM 649 CA CYS A 87 11.110 -3.260 -5.431 1.00 0.00 C ATOM 650 C CYS A 87 12.148 -4.192 -6.156 1.00 0.00 C ATOM 651 O CYS A 87 12.290 -4.128 -7.381 1.00 0.00 O ATOM 652 CB CYS A 87 9.684 -3.553 -5.912 1.00 0.00 C ATOM 653 SG CYS A 87 8.456 -2.883 -4.781 1.00 0.00 S ATOM 0 H CYS A 87 10.557 -1.375 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 87 11.274 -3.481 -4.376 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.538 -3.125 -6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.545 -4.630 -6.006 1.00 0.00 H new ATOM 654 N HIS A 88 12.872 -5.064 -5.425 1.00 0.00 N ATOM 655 CA HIS A 88 13.848 -6.018 -6.022 1.00 0.00 C ATOM 656 C HIS A 88 13.799 -7.402 -5.293 1.00 0.00 C ATOM 657 O HIS A 88 13.313 -7.546 -4.169 1.00 0.00 O ATOM 658 CB HIS A 88 15.262 -5.391 -5.966 1.00 0.00 C ATOM 659 CG HIS A 88 15.567 -4.343 -7.036 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.993 -4.675 -8.315 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.412 -2.953 -6.911 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.071 -3.416 -8.854 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.773 -2.326 -8.089 1.00 0.00 N ATOM 0 H HIS A 88 12.802 -5.132 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 88 13.586 -6.204 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.397 -4.933 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.997 -6.191 -6.048 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.062 -2.447 -6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.368 -3.287 -9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.807 -1.333 -8.320 1.00 0.00 H new ATOM 664 N ASN A 89 14.352 -8.445 -5.925 1.00 0.00 N ATOM 665 CA ASN A 89 14.279 -9.838 -5.394 1.00 0.00 C ATOM 666 C ASN A 89 15.558 -10.221 -4.575 1.00 0.00 C ATOM 667 O ASN A 89 16.524 -10.816 -5.060 1.00 0.00 O ATOM 668 CB ASN A 89 14.033 -10.732 -6.625 1.00 0.00 C ATOM 669 CG ASN A 89 13.598 -12.171 -6.336 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.438 -12.620 -5.208 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.380 -12.950 -7.361 1.00 0.00 N ATOM 0 H ASN A 89 14.858 -8.364 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 89 13.472 -9.962 -4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.270 -10.261 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.949 -10.762 -7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.082 -13.914 -7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.508 -12.594 -8.308 1.00 0.00 H new ATOM 672 N VAL A 90 15.503 -9.849 -3.300 1.00 0.00 N ATOM 673 CA VAL A 90 16.563 -10.148 -2.286 1.00 0.00 C ATOM 674 C VAL A 90 15.850 -10.851 -1.075 1.00 0.00 C ATOM 675 O VAL A 90 15.568 -10.243 -0.038 1.00 0.00 O ATOM 676 CB VAL A 90 17.345 -8.845 -1.890 1.00 0.00 C ATOM 677 CG1 VAL A 90 18.501 -9.111 -0.895 1.00 0.00 C ATOM 678 CG2 VAL A 90 17.964 -8.055 -3.070 1.00 0.00 C ATOM 0 H VAL A 90 14.718 -9.323 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 90 17.326 -10.817 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 90 16.555 -8.246 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.002 -8.172 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.100 -9.547 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.215 -9.802 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.481 -7.175 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.673 -8.690 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.174 -7.744 -3.754 1.00 0.00 H new ATOM 679 N GLY A 91 15.539 -12.145 -1.242 1.00 0.00 N ATOM 680 CA GLY A 91 14.775 -12.930 -0.224 1.00 0.00 C ATOM 681 C GLY A 91 15.574 -13.566 0.939 1.00 0.00 C ATOM 682 O GLY A 91 15.287 -13.291 2.104 1.00 0.00 O ATOM 0 H GLY A 91 15.799 -12.683 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.019 -12.274 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.246 -13.728 -0.744 1.00 0.00 H new ATOM 683 N ARG A 92 16.533 -14.453 0.630 1.00 0.00 N ATOM 684 CA ARG A 92 17.377 -15.127 1.666 1.00 0.00 C ATOM 685 C ARG A 92 18.887 -15.182 1.244 1.00 0.00 C ATOM 686 O ARG A 92 19.726 -14.550 1.890 1.00 0.00 O ATOM 687 CB ARG A 92 16.746 -16.518 1.976 1.00 0.00 C ATOM 688 CG ARG A 92 17.364 -17.253 3.195 1.00 0.00 C ATOM 689 CD ARG A 92 16.843 -18.689 3.392 1.00 0.00 C ATOM 690 NE ARG A 92 17.476 -19.621 2.421 1.00 0.00 N ATOM 691 CZ ARG A 92 17.153 -20.899 2.268 1.00 0.00 C ATOM 692 NH1 ARG A 92 16.193 -21.500 2.923 1.00 0.00 N ATOM 693 NH2 ARG A 92 17.833 -21.598 1.414 1.00 0.00 N ATOM 0 H ARG A 92 16.754 -14.730 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 92 17.385 -14.549 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 92 15.678 -16.387 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.849 -17.153 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.447 -17.284 3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.158 -16.676 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.052 -19.020 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 92 15.760 -18.708 3.267 1.00 0.00 H new ATOM 0 HE ARG A 92 18.216 -19.249 1.826 1.00 0.00 H new ATOM 0 HH11 ARG A 92 15.637 -20.981 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 92 16.000 -22.487 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.589 -21.163 0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.612 -22.583 1.271 1.00 0.00 H new ATOM 694 N SER A 93 19.263 -15.955 0.199 1.00 0.00 N ATOM 695 CA SER A 93 20.671 -16.124 -0.292 1.00 0.00 C ATOM 696 C SER A 93 21.657 -16.810 0.705 1.00 0.00 C ATOM 697 O SER A 93 22.341 -17.782 0.396 1.00 0.00 O ATOM 698 CB SER A 93 21.239 -14.788 -0.837 1.00 0.00 C ATOM 699 OG SER A 93 22.454 -15.001 -1.560 1.00 0.00 O ATOM 0 H SER A 93 18.590 -16.495 -0.345 1.00 0.00 H new ATOM 0 HA SER A 93 20.591 -16.838 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.503 -14.315 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.420 -14.102 -0.010 1.00 0.00 H new ATOM 0 HG SER A 93 22.790 -14.143 -1.894 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 21.717 -16.200 1.930 1.00 0.00 O