USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 62 HIS HD1 : A 62 HIS ND1 : A 302 ZNZN :(H bumps) USER MOD Set 1.1: A 69 SER OG : rot 123:sc= 0.148 USER MOD Set 1.2: A 86 GLN : amide:sc= -0.912 K(o=-0.76,f=-0.24) USER MOD Set 2.1: A 38 ASN : amide:sc= -9.16! C(o=-19!,f=-15!) USER MOD Set 2.2: A 60 HIS : no HD1:sc= -9.66! C(o=-19!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.736 (180deg=-0.761) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.71 X(o=-0.71,f=-0.49) USER MOD Single : A 9 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-6.1!) USER MOD Single : A 11 ASN : amide:sc= -4.64! C(o=-4.6!,f=-6.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00972) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc=-0.000753 (180deg=-0.278) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 76:sc= -0.0728 USER MOD Single : A 27 TYR OH : rot 104:sc= 0.481 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -16:sc= -0.054! USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0644 (180deg=-0.471) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-7.1!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 73 ASN : amide:sc= -0.665 K(o=-0.67,f=-3.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0475 K(o=-0.047,f=-0.82) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 11:sc= 0.87 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.181 31.099 -1.257 1.00 2.21 N ATOM 2 CA MET A 1 -13.858 30.093 -2.307 1.00 1.57 C ATOM 3 C MET A 1 -12.588 30.519 -3.047 1.00 1.31 C ATOM 4 O MET A 1 -12.313 30.066 -4.140 1.00 1.40 O ATOM 5 CB MET A 1 -15.019 30.000 -3.299 1.00 1.95 C ATOM 6 CG MET A 1 -16.228 29.362 -2.612 1.00 2.57 C ATOM 7 SD MET A 1 -15.930 27.591 -2.389 1.00 3.56 S ATOM 8 CE MET A 1 -16.637 27.042 -3.962 1.00 4.37 C ATOM 0 H1 MET A 1 -15.024 30.793 -0.731 1.00 2.21 H new ATOM 0 H2 MET A 1 -13.378 31.187 -0.602 1.00 2.21 H new ATOM 0 H3 MET A 1 -14.366 32.020 -1.704 1.00 2.21 H new ATOM 0 HA MET A 1 -13.699 29.120 -1.842 1.00 1.57 H new ATOM 0 HB2 MET A 1 -15.278 30.993 -3.666 1.00 1.95 H new ATOM 0 HB3 MET A 1 -14.725 29.407 -4.165 1.00 1.95 H new ATOM 0 HG2 MET A 1 -16.403 29.837 -1.647 1.00 2.57 H new ATOM 0 HG3 MET A 1 -17.125 29.518 -3.212 1.00 2.57 H new ATOM 0 HE1 MET A 1 -16.558 25.958 -4.038 1.00 4.37 H new ATOM 0 HE2 MET A 1 -17.686 27.334 -4.011 1.00 4.37 H new ATOM 0 HE3 MET A 1 -16.093 27.504 -4.786 1.00 4.37 H new ATOM 20 N THR A 2 -11.811 31.387 -2.459 1.00 1.16 N ATOM 21 CA THR A 2 -10.561 31.843 -3.129 1.00 1.11 C ATOM 22 C THR A 2 -9.479 30.773 -2.977 1.00 0.95 C ATOM 23 O THR A 2 -8.743 30.484 -3.900 1.00 1.00 O ATOM 24 CB THR A 2 -10.085 33.147 -2.487 1.00 1.29 C ATOM 25 OG1 THR A 2 -8.977 33.656 -3.217 1.00 1.45 O ATOM 26 CG2 THR A 2 -9.667 32.884 -1.041 1.00 1.38 C ATOM 0 H THR A 2 -11.988 31.800 -1.543 1.00 1.16 H new ATOM 0 HA THR A 2 -10.757 32.010 -4.188 1.00 1.11 H new ATOM 0 HB THR A 2 -10.896 33.875 -2.501 1.00 1.29 H new ATOM 0 HG1 THR A 2 -8.672 34.492 -2.808 1.00 1.45 H new ATOM 0 HG21 THR A 2 -9.328 33.814 -0.585 1.00 1.38 H new ATOM 0 HG22 THR A 2 -10.518 32.495 -0.481 1.00 1.38 H new ATOM 0 HG23 THR A 2 -8.857 32.155 -1.023 1.00 1.38 H new ATOM 34 N GLU A 3 -9.376 30.184 -1.819 1.00 0.86 N ATOM 35 CA GLU A 3 -8.343 29.136 -1.604 1.00 0.73 C ATOM 36 C GLU A 3 -8.464 28.065 -2.681 1.00 0.62 C ATOM 37 O GLU A 3 -9.351 28.092 -3.511 1.00 0.66 O ATOM 38 CB GLU A 3 -8.536 28.505 -0.221 1.00 0.74 C ATOM 39 CG GLU A 3 -9.818 27.663 -0.200 1.00 0.75 C ATOM 40 CD GLU A 3 -10.217 27.373 1.249 1.00 1.23 C ATOM 41 OE1 GLU A 3 -10.212 28.300 2.042 1.00 1.72 O ATOM 42 OE2 GLU A 3 -10.521 26.228 1.541 1.00 1.91 O ATOM 0 H GLU A 3 -9.965 30.384 -1.011 1.00 0.86 H new ATOM 0 HA GLU A 3 -7.352 29.587 -1.660 1.00 0.73 H new ATOM 0 HB2 GLU A 3 -7.677 27.880 0.025 1.00 0.74 H new ATOM 0 HB3 GLU A 3 -8.591 29.285 0.539 1.00 0.74 H new ATOM 0 HG2 GLU A 3 -10.622 28.193 -0.710 1.00 0.75 H new ATOM 0 HG3 GLU A 3 -9.660 26.729 -0.739 1.00 0.75 H new ATOM 49 N ARG A 4 -7.563 27.126 -2.676 1.00 0.54 N ATOM 50 CA ARG A 4 -7.585 26.045 -3.692 1.00 0.47 C ATOM 51 C ARG A 4 -8.280 24.817 -3.114 1.00 0.39 C ATOM 52 O ARG A 4 -8.115 24.490 -1.955 1.00 0.38 O ATOM 53 CB ARG A 4 -6.147 25.703 -4.052 1.00 0.48 C ATOM 54 CG ARG A 4 -5.476 26.953 -4.647 1.00 0.58 C ATOM 55 CD ARG A 4 -6.008 27.238 -6.068 1.00 0.63 C ATOM 56 NE ARG A 4 -4.901 27.780 -6.918 1.00 0.81 N ATOM 57 CZ ARG A 4 -4.145 28.764 -6.503 1.00 1.10 C ATOM 58 NH1 ARG A 4 -4.442 29.413 -5.412 1.00 2.05 N ATOM 59 NH2 ARG A 4 -3.115 29.132 -7.215 1.00 1.19 N ATOM 0 H ARG A 4 -6.802 27.062 -2.000 1.00 0.54 H new ATOM 0 HA ARG A 4 -8.127 26.369 -4.581 1.00 0.47 H new ATOM 0 HB2 ARG A 4 -5.605 25.369 -3.167 1.00 0.48 H new ATOM 0 HB3 ARG A 4 -6.122 24.883 -4.770 1.00 0.48 H new ATOM 0 HG2 ARG A 4 -5.664 27.813 -4.004 1.00 0.58 H new ATOM 0 HG3 ARG A 4 -4.396 26.810 -4.680 1.00 0.58 H new ATOM 0 HD2 ARG A 4 -6.405 26.324 -6.509 1.00 0.63 H new ATOM 0 HD3 ARG A 4 -6.830 27.953 -6.023 1.00 0.63 H new ATOM 0 HE ARG A 4 -4.733 27.374 -7.839 1.00 0.81 H new ATOM 0 HH11 ARG A 4 -5.270 29.155 -4.874 1.00 2.05 H new ATOM 0 HH12 ARG A 4 -3.847 30.179 -5.096 1.00 2.05 H new ATOM 0 HH21 ARG A 4 -2.903 28.653 -8.090 1.00 1.19 H new ATOM 0 HH22 ARG A 4 -2.522 29.898 -6.896 1.00 1.19 H new ATOM 73 N PHE A 5 -9.063 24.141 -3.914 1.00 0.38 N ATOM 74 CA PHE A 5 -9.791 22.930 -3.433 1.00 0.34 C ATOM 75 C PHE A 5 -9.326 21.713 -4.234 1.00 0.33 C ATOM 76 O PHE A 5 -10.081 21.116 -4.976 1.00 0.39 O ATOM 77 CB PHE A 5 -11.294 23.159 -3.645 1.00 0.41 C ATOM 78 CG PHE A 5 -12.091 22.331 -2.670 1.00 0.42 C ATOM 79 CD1 PHE A 5 -12.126 22.696 -1.322 1.00 0.42 C ATOM 80 CD2 PHE A 5 -12.795 21.207 -3.111 1.00 0.46 C ATOM 81 CE1 PHE A 5 -12.864 21.937 -0.412 1.00 0.46 C ATOM 82 CE2 PHE A 5 -13.536 20.446 -2.200 1.00 0.49 C ATOM 83 CZ PHE A 5 -13.571 20.810 -0.851 1.00 0.50 C ATOM 0 H PHE A 5 -9.231 24.380 -4.891 1.00 0.38 H new ATOM 0 HA PHE A 5 -9.590 22.753 -2.376 1.00 0.34 H new ATOM 0 HB2 PHE A 5 -11.530 24.215 -3.514 1.00 0.41 H new ATOM 0 HB3 PHE A 5 -11.569 22.895 -4.666 1.00 0.41 H new ATOM 0 HD1 PHE A 5 -11.582 23.566 -0.984 1.00 0.42 H new ATOM 0 HD2 PHE A 5 -12.767 20.926 -4.153 1.00 0.46 H new ATOM 0 HE1 PHE A 5 -12.890 22.219 0.630 1.00 0.46 H new ATOM 0 HE2 PHE A 5 -14.081 19.577 -2.539 1.00 0.49 H new ATOM 0 HZ PHE A 5 -14.143 20.223 -0.148 1.00 0.50 H new ATOM 93 N ASP A 6 -8.083 21.339 -4.079 1.00 0.28 N ATOM 94 CA ASP A 6 -7.545 20.153 -4.817 1.00 0.29 C ATOM 95 C ASP A 6 -6.734 19.285 -3.862 1.00 0.22 C ATOM 96 O ASP A 6 -6.140 19.766 -2.918 1.00 0.18 O ATOM 97 CB ASP A 6 -6.647 20.618 -5.966 1.00 0.37 C ATOM 98 CG ASP A 6 -7.313 21.784 -6.698 1.00 0.58 C ATOM 99 OD1 ASP A 6 -8.523 21.747 -6.853 1.00 1.19 O ATOM 100 OD2 ASP A 6 -6.602 22.694 -7.092 1.00 1.38 O ATOM 0 H ASP A 6 -7.412 21.806 -3.469 1.00 0.28 H new ATOM 0 HA ASP A 6 -8.377 19.576 -5.221 1.00 0.29 H new ATOM 0 HB2 ASP A 6 -5.675 20.925 -5.580 1.00 0.37 H new ATOM 0 HB3 ASP A 6 -6.469 19.795 -6.658 1.00 0.37 H new ATOM 105 N CYS A 7 -6.705 18.006 -4.103 1.00 0.23 N ATOM 106 CA CYS A 7 -5.933 17.105 -3.213 1.00 0.18 C ATOM 107 C CYS A 7 -4.462 17.527 -3.233 1.00 0.23 C ATOM 108 O CYS A 7 -3.746 17.284 -4.177 1.00 0.31 O ATOM 109 CB CYS A 7 -6.082 15.669 -3.706 1.00 0.23 C ATOM 110 SG CYS A 7 -4.849 14.604 -2.921 1.00 0.22 S ATOM 0 H CYS A 7 -7.183 17.547 -4.878 1.00 0.23 H new ATOM 0 HA CYS A 7 -6.307 17.168 -2.191 1.00 0.18 H new ATOM 0 HB2 CYS A 7 -7.084 15.303 -3.482 1.00 0.23 H new ATOM 0 HB3 CYS A 7 -5.965 15.635 -4.789 1.00 0.23 H new ATOM 115 N HIS A 8 -4.014 18.178 -2.204 1.00 0.22 N ATOM 116 CA HIS A 8 -2.599 18.642 -2.160 1.00 0.31 C ATOM 117 C HIS A 8 -1.640 17.512 -2.536 1.00 0.35 C ATOM 118 O HIS A 8 -0.506 17.755 -2.899 1.00 0.43 O ATOM 119 CB HIS A 8 -2.283 19.122 -0.747 1.00 0.34 C ATOM 120 CG HIS A 8 -0.990 19.891 -0.748 1.00 0.45 C ATOM 121 ND1 HIS A 8 -0.951 21.271 -0.873 1.00 1.21 N ATOM 122 CD2 HIS A 8 0.318 19.488 -0.640 1.00 1.05 C ATOM 123 CE1 HIS A 8 0.341 21.646 -0.838 1.00 0.99 C ATOM 124 NE2 HIS A 8 1.156 20.597 -0.698 1.00 0.74 N ATOM 0 H HIS A 8 -4.570 18.413 -1.382 1.00 0.22 H new ATOM 0 HA HIS A 8 -2.472 19.453 -2.877 1.00 0.31 H new ATOM 0 HB2 HIS A 8 -3.092 19.753 -0.378 1.00 0.34 H new ATOM 0 HB3 HIS A 8 -2.210 18.270 -0.071 1.00 0.34 H new ATOM 0 HD2 HIS A 8 0.646 18.465 -0.527 1.00 1.05 H new ATOM 0 HE1 HIS A 8 0.678 22.669 -0.914 1.00 0.99 H new ATOM 0 HE2 HIS A 8 2.175 20.607 -0.645 1.00 0.74 H new ATOM 132 N HIS A 9 -2.064 16.278 -2.445 1.00 0.31 N ATOM 133 CA HIS A 9 -1.139 15.153 -2.792 1.00 0.37 C ATOM 134 C HIS A 9 -1.252 14.819 -4.290 1.00 0.42 C ATOM 135 O HIS A 9 -0.303 14.975 -5.033 1.00 0.49 O ATOM 136 CB HIS A 9 -1.480 13.925 -1.936 1.00 0.33 C ATOM 137 CG HIS A 9 -0.647 12.745 -2.366 1.00 0.40 C ATOM 138 ND1 HIS A 9 0.248 12.811 -3.423 1.00 0.50 N ATOM 139 CD2 HIS A 9 -0.558 11.461 -1.883 1.00 0.41 C ATOM 140 CE1 HIS A 9 0.829 11.604 -3.542 1.00 0.54 C ATOM 141 NE2 HIS A 9 0.374 10.744 -2.627 1.00 0.48 N ATOM 0 H HIS A 9 -3.000 16.000 -2.149 1.00 0.31 H new ATOM 0 HA HIS A 9 -0.111 15.452 -2.585 1.00 0.37 H new ATOM 0 HB2 HIS A 9 -1.298 14.144 -0.884 1.00 0.33 H new ATOM 0 HB3 HIS A 9 -2.539 13.687 -2.034 1.00 0.33 H new ATOM 0 HD2 HIS A 9 -1.125 11.068 -1.052 1.00 0.41 H new ATOM 0 HE1 HIS A 9 1.573 11.360 -4.286 1.00 0.54 H new ATOM 0 HE2 HIS A 9 0.650 9.770 -2.501 1.00 0.48 H new ATOM 149 N CYS A 10 -2.392 14.368 -4.750 1.00 0.40 N ATOM 150 CA CYS A 10 -2.527 14.043 -6.205 1.00 0.47 C ATOM 151 C CYS A 10 -2.714 15.339 -6.991 1.00 0.50 C ATOM 152 O CYS A 10 -2.371 15.432 -8.150 1.00 0.62 O ATOM 153 CB CYS A 10 -3.747 13.148 -6.435 1.00 0.46 C ATOM 154 SG CYS A 10 -3.732 11.769 -5.268 1.00 0.42 S ATOM 0 H CYS A 10 -3.229 14.211 -4.188 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.629 13.522 -6.537 1.00 0.47 H new ATOM 0 HB2 CYS A 10 -4.662 13.728 -6.313 1.00 0.46 H new ATOM 0 HB3 CYS A 10 -3.743 12.770 -7.457 1.00 0.46 H new ATOM 159 N ASN A 11 -3.263 16.333 -6.352 1.00 0.44 N ATOM 160 CA ASN A 11 -3.505 17.649 -7.018 1.00 0.47 C ATOM 161 C ASN A 11 -4.753 17.551 -7.905 1.00 0.50 C ATOM 162 O ASN A 11 -4.969 18.364 -8.781 1.00 0.55 O ATOM 163 CB ASN A 11 -2.247 18.078 -7.831 1.00 0.56 C ATOM 164 CG ASN A 11 -2.432 17.867 -9.347 1.00 1.12 C ATOM 165 OD1 ASN A 11 -3.073 16.929 -9.778 1.00 1.61 O ATOM 166 ND2 ASN A 11 -1.886 18.713 -10.177 1.00 1.61 N ATOM 0 H ASN A 11 -3.561 16.291 -5.377 1.00 0.44 H new ATOM 0 HA ASN A 11 -3.684 18.418 -6.266 1.00 0.47 H new ATOM 0 HB2 ASN A 11 -2.032 19.129 -7.636 1.00 0.56 H new ATOM 0 HB3 ASN A 11 -1.384 17.507 -7.489 1.00 0.56 H new ATOM 0 HD21 ASN A 11 -1.998 18.585 -11.183 1.00 1.61 H new ATOM 0 HD22 ASN A 11 -1.347 19.502 -9.820 1.00 1.61 H new ATOM 173 N GLU A 12 -5.579 16.565 -7.672 1.00 0.48 N ATOM 174 CA GLU A 12 -6.823 16.413 -8.485 1.00 0.53 C ATOM 175 C GLU A 12 -7.994 17.033 -7.721 1.00 0.49 C ATOM 176 O GLU A 12 -8.145 16.830 -6.533 1.00 0.42 O ATOM 177 CB GLU A 12 -7.098 14.923 -8.724 1.00 0.56 C ATOM 178 CG GLU A 12 -7.476 14.244 -7.403 1.00 0.49 C ATOM 179 CD GLU A 12 -7.442 12.725 -7.579 1.00 0.52 C ATOM 180 OE1 GLU A 12 -8.452 12.172 -7.982 1.00 1.10 O ATOM 181 OE2 GLU A 12 -6.406 12.140 -7.308 1.00 1.24 O ATOM 0 H GLU A 12 -5.446 15.856 -6.951 1.00 0.48 H new ATOM 0 HA GLU A 12 -6.702 16.915 -9.445 1.00 0.53 H new ATOM 0 HB2 GLU A 12 -7.905 14.805 -9.448 1.00 0.56 H new ATOM 0 HB3 GLU A 12 -6.216 14.445 -9.149 1.00 0.56 H new ATOM 0 HG2 GLU A 12 -6.784 14.545 -6.617 1.00 0.49 H new ATOM 0 HG3 GLU A 12 -8.471 14.562 -7.091 1.00 0.49 H new ATOM 188 N SER A 13 -8.828 17.782 -8.388 1.00 0.54 N ATOM 189 CA SER A 13 -9.989 18.403 -7.690 1.00 0.52 C ATOM 190 C SER A 13 -10.697 17.343 -6.841 1.00 0.50 C ATOM 191 O SER A 13 -10.942 16.244 -7.296 1.00 0.55 O ATOM 192 CB SER A 13 -10.968 18.954 -8.728 1.00 0.61 C ATOM 193 OG SER A 13 -10.345 20.013 -9.444 1.00 1.34 O ATOM 0 H SER A 13 -8.756 17.991 -9.384 1.00 0.54 H new ATOM 0 HA SER A 13 -9.639 19.212 -7.049 1.00 0.52 H new ATOM 0 HB2 SER A 13 -11.271 18.164 -9.415 1.00 0.61 H new ATOM 0 HB3 SER A 13 -11.872 19.314 -8.237 1.00 0.61 H new ATOM 0 HG SER A 13 -10.969 20.368 -10.112 1.00 1.34 H new ATOM 199 N LEU A 14 -11.039 17.654 -5.615 1.00 0.45 N ATOM 200 CA LEU A 14 -11.738 16.635 -4.779 1.00 0.46 C ATOM 201 C LEU A 14 -12.986 16.213 -5.546 1.00 0.57 C ATOM 202 O LEU A 14 -13.704 17.028 -6.092 1.00 0.62 O ATOM 203 CB LEU A 14 -12.129 17.227 -3.428 1.00 0.43 C ATOM 204 CG LEU A 14 -10.907 17.430 -2.536 1.00 0.33 C ATOM 205 CD1 LEU A 14 -10.219 16.089 -2.257 1.00 0.30 C ATOM 206 CD2 LEU A 14 -9.934 18.401 -3.200 1.00 0.28 C ATOM 0 H LEU A 14 -10.868 18.553 -5.165 1.00 0.45 H new ATOM 0 HA LEU A 14 -11.087 15.782 -4.588 1.00 0.46 H new ATOM 0 HB2 LEU A 14 -12.634 18.181 -3.579 1.00 0.43 H new ATOM 0 HB3 LEU A 14 -12.839 16.566 -2.931 1.00 0.43 H new ATOM 0 HG LEU A 14 -11.232 17.852 -1.585 1.00 0.33 H new ATOM 0 HD11 LEU A 14 -9.350 16.252 -1.620 1.00 0.30 H new ATOM 0 HD12 LEU A 14 -10.917 15.419 -1.755 1.00 0.30 H new ATOM 0 HD13 LEU A 14 -9.900 15.641 -3.198 1.00 0.30 H new ATOM 0 HD21 LEU A 14 -9.065 18.541 -2.558 1.00 0.28 H new ATOM 0 HD22 LEU A 14 -9.614 17.996 -4.160 1.00 0.28 H new ATOM 0 HD23 LEU A 14 -10.427 19.360 -3.357 1.00 0.28 H new ATOM 218 N PHE A 15 -13.193 14.940 -5.667 1.00 0.60 N ATOM 219 CA PHE A 15 -14.332 14.445 -6.487 1.00 0.70 C ATOM 220 C PHE A 15 -15.692 14.438 -5.768 1.00 0.76 C ATOM 221 O PHE A 15 -16.062 13.482 -5.122 1.00 0.78 O ATOM 222 CB PHE A 15 -13.993 13.008 -6.904 1.00 0.72 C ATOM 223 CG PHE A 15 -13.772 12.151 -5.669 1.00 0.68 C ATOM 224 CD1 PHE A 15 -12.572 12.235 -4.935 1.00 0.59 C ATOM 225 CD2 PHE A 15 -14.777 11.271 -5.252 1.00 0.74 C ATOM 226 CE1 PHE A 15 -12.394 11.444 -3.794 1.00 0.56 C ATOM 227 CE2 PHE A 15 -14.596 10.482 -4.111 1.00 0.72 C ATOM 228 CZ PHE A 15 -13.406 10.571 -3.381 1.00 0.63 C ATOM 0 H PHE A 15 -12.623 14.214 -5.233 1.00 0.60 H new ATOM 0 HA PHE A 15 -14.447 15.130 -7.327 1.00 0.70 H new ATOM 0 HB2 PHE A 15 -14.802 12.594 -7.505 1.00 0.72 H new ATOM 0 HB3 PHE A 15 -13.098 13.002 -7.527 1.00 0.72 H new ATOM 0 HD1 PHE A 15 -11.790 12.909 -5.253 1.00 0.59 H new ATOM 0 HD2 PHE A 15 -15.697 11.201 -5.814 1.00 0.74 H new ATOM 0 HE1 PHE A 15 -11.474 11.508 -3.232 1.00 0.56 H new ATOM 0 HE2 PHE A 15 -15.375 9.804 -3.794 1.00 0.72 H new ATOM 0 HZ PHE A 15 -13.268 9.965 -2.498 1.00 0.63 H new ATOM 238 N GLY A 16 -16.496 15.436 -6.002 1.00 0.81 N ATOM 239 CA GLY A 16 -17.895 15.418 -5.478 1.00 0.89 C ATOM 240 C GLY A 16 -17.989 14.974 -4.015 1.00 0.88 C ATOM 241 O GLY A 16 -19.069 14.645 -3.565 1.00 0.95 O ATOM 0 H GLY A 16 -16.246 16.268 -6.536 1.00 0.81 H new ATOM 0 HA2 GLY A 16 -18.325 16.415 -5.576 1.00 0.89 H new ATOM 0 HA3 GLY A 16 -18.497 14.749 -6.093 1.00 0.89 H new ATOM 245 N LYS A 17 -16.906 14.874 -3.281 1.00 0.79 N ATOM 246 CA LYS A 17 -17.029 14.343 -1.874 1.00 0.80 C ATOM 247 C LYS A 17 -16.255 15.174 -0.857 1.00 0.73 C ATOM 248 O LYS A 17 -15.314 15.874 -1.175 1.00 0.66 O ATOM 249 CB LYS A 17 -16.485 12.912 -1.861 1.00 0.80 C ATOM 250 CG LYS A 17 -16.513 12.354 -0.429 1.00 0.84 C ATOM 251 CD LYS A 17 -16.463 10.814 -0.455 1.00 0.92 C ATOM 252 CE LYS A 17 -17.878 10.239 -0.602 1.00 1.62 C ATOM 253 NZ LYS A 17 -18.558 10.248 0.724 1.00 2.22 N ATOM 0 H LYS A 17 -15.964 15.128 -3.579 1.00 0.79 H new ATOM 0 HA LYS A 17 -18.080 14.385 -1.588 1.00 0.80 H new ATOM 0 HB2 LYS A 17 -17.083 12.281 -2.518 1.00 0.80 H new ATOM 0 HB3 LYS A 17 -15.465 12.898 -2.246 1.00 0.80 H new ATOM 0 HG2 LYS A 17 -15.666 12.743 0.137 1.00 0.84 H new ATOM 0 HG3 LYS A 17 -17.417 12.687 0.081 1.00 0.84 H new ATOM 0 HD2 LYS A 17 -15.838 10.477 -1.282 1.00 0.92 H new ATOM 0 HD3 LYS A 17 -16.005 10.442 0.462 1.00 0.92 H new ATOM 0 HE2 LYS A 17 -18.449 10.828 -1.319 1.00 1.62 H new ATOM 0 HE3 LYS A 17 -17.830 9.222 -0.991 1.00 1.62 H new ATOM 0 HZ1 LYS A 17 -19.477 9.766 0.646 1.00 2.22 H new ATOM 0 HZ2 LYS A 17 -17.966 9.753 1.421 1.00 2.22 H new ATOM 0 HZ3 LYS A 17 -18.707 11.230 1.031 1.00 2.22 H new ATOM 267 N LYS A 18 -16.651 15.062 0.389 1.00 0.78 N ATOM 268 CA LYS A 18 -15.957 15.797 1.475 1.00 0.74 C ATOM 269 C LYS A 18 -14.474 15.465 1.399 1.00 0.64 C ATOM 270 O LYS A 18 -14.065 14.606 0.643 1.00 0.61 O ATOM 271 CB LYS A 18 -16.514 15.376 2.836 1.00 0.82 C ATOM 272 CG LYS A 18 -16.277 13.882 3.040 1.00 1.61 C ATOM 273 CD LYS A 18 -17.087 13.393 4.241 1.00 1.97 C ATOM 274 CE LYS A 18 -16.901 11.883 4.401 1.00 2.86 C ATOM 275 NZ LYS A 18 -15.490 11.594 4.784 1.00 3.55 N ATOM 0 H LYS A 18 -17.434 14.485 0.695 1.00 0.78 H new ATOM 0 HA LYS A 18 -16.112 16.870 1.358 1.00 0.74 H new ATOM 0 HB2 LYS A 18 -16.031 15.944 3.631 1.00 0.82 H new ATOM 0 HB3 LYS A 18 -17.580 15.597 2.889 1.00 0.82 H new ATOM 0 HG2 LYS A 18 -16.567 13.332 2.145 1.00 1.61 H new ATOM 0 HG3 LYS A 18 -15.216 13.691 3.202 1.00 1.61 H new ATOM 0 HD2 LYS A 18 -16.763 13.908 5.146 1.00 1.97 H new ATOM 0 HD3 LYS A 18 -18.142 13.627 4.101 1.00 1.97 H new ATOM 0 HE2 LYS A 18 -17.581 11.501 5.162 1.00 2.86 H new ATOM 0 HE3 LYS A 18 -17.147 11.375 3.469 1.00 2.86 H new ATOM 0 HZ1 LYS A 18 -15.422 10.624 5.153 1.00 3.55 H new ATOM 0 HZ2 LYS A 18 -14.877 11.690 3.949 1.00 3.55 H new ATOM 0 HZ3 LYS A 18 -15.185 12.266 5.517 1.00 3.55 H new ATOM 289 N TYR A 19 -13.655 16.152 2.146 1.00 0.59 N ATOM 290 CA TYR A 19 -12.190 15.884 2.079 1.00 0.50 C ATOM 291 C TYR A 19 -11.557 16.017 3.461 1.00 0.51 C ATOM 292 O TYR A 19 -12.101 16.634 4.356 1.00 0.58 O ATOM 293 CB TYR A 19 -11.576 16.889 1.119 1.00 0.41 C ATOM 294 CG TYR A 19 -11.707 18.282 1.691 1.00 0.43 C ATOM 295 CD1 TYR A 19 -12.960 18.906 1.742 1.00 0.50 C ATOM 296 CD2 TYR A 19 -10.577 18.948 2.170 1.00 0.38 C ATOM 297 CE1 TYR A 19 -13.079 20.196 2.273 1.00 0.53 C ATOM 298 CE2 TYR A 19 -10.695 20.239 2.700 1.00 0.41 C ATOM 299 CZ TYR A 19 -11.946 20.862 2.752 1.00 0.48 C ATOM 300 OH TYR A 19 -12.063 22.134 3.275 1.00 0.52 O ATOM 0 H TYR A 19 -13.935 16.885 2.798 1.00 0.59 H new ATOM 0 HA TYR A 19 -12.011 14.867 1.730 1.00 0.50 H new ATOM 0 HB2 TYR A 19 -10.526 16.651 0.951 1.00 0.41 H new ATOM 0 HB3 TYR A 19 -12.074 16.834 0.151 1.00 0.41 H new ATOM 0 HD1 TYR A 19 -13.835 18.392 1.372 1.00 0.50 H new ATOM 0 HD2 TYR A 19 -9.611 18.467 2.132 1.00 0.38 H new ATOM 0 HE1 TYR A 19 -14.045 20.677 2.313 1.00 0.53 H new ATOM 0 HE2 TYR A 19 -9.820 20.753 3.069 1.00 0.41 H new ATOM 0 HH TYR A 19 -11.182 22.452 3.563 1.00 0.52 H new ATOM 310 N ILE A 20 -10.411 15.413 3.637 1.00 0.46 N ATOM 311 CA ILE A 20 -9.709 15.452 4.955 1.00 0.51 C ATOM 312 C ILE A 20 -8.450 16.317 4.847 1.00 0.46 C ATOM 313 O ILE A 20 -7.742 16.274 3.862 1.00 0.38 O ATOM 314 CB ILE A 20 -9.300 14.023 5.320 1.00 0.53 C ATOM 315 CG1 ILE A 20 -10.550 13.111 5.371 1.00 0.60 C ATOM 316 CG2 ILE A 20 -8.598 14.031 6.681 1.00 0.61 C ATOM 317 CD1 ILE A 20 -10.154 11.662 5.063 1.00 0.59 C ATOM 0 H ILE A 20 -9.924 14.886 2.912 1.00 0.46 H new ATOM 0 HA ILE A 20 -10.368 15.872 5.715 1.00 0.51 H new ATOM 0 HB ILE A 20 -8.618 13.636 4.563 1.00 0.53 H new ATOM 0 HG12 ILE A 20 -11.013 13.169 6.356 1.00 0.60 H new ATOM 0 HG13 ILE A 20 -11.291 13.455 4.650 1.00 0.60 H new ATOM 0 HG21 ILE A 20 -8.305 13.015 6.945 1.00 0.61 H new ATOM 0 HG22 ILE A 20 -7.711 14.663 6.629 1.00 0.61 H new ATOM 0 HG23 ILE A 20 -9.278 14.421 7.439 1.00 0.61 H new ATOM 0 HD11 ILE A 20 -11.039 11.027 5.101 1.00 0.59 H new ATOM 0 HD12 ILE A 20 -9.712 11.609 4.068 1.00 0.59 H new ATOM 0 HD13 ILE A 20 -9.429 11.318 5.801 1.00 0.59 H new ATOM 329 N LEU A 21 -8.152 17.092 5.861 1.00 0.51 N ATOM 330 CA LEU A 21 -6.923 17.941 5.816 1.00 0.49 C ATOM 331 C LEU A 21 -5.781 17.175 6.475 1.00 0.54 C ATOM 332 O LEU A 21 -5.785 16.940 7.667 1.00 0.65 O ATOM 333 CB LEU A 21 -7.121 19.251 6.587 1.00 0.54 C ATOM 334 CG LEU A 21 -8.123 20.175 5.877 1.00 0.50 C ATOM 335 CD1 LEU A 21 -7.547 20.658 4.537 1.00 0.42 C ATOM 336 CD2 LEU A 21 -9.449 19.435 5.639 1.00 0.51 C ATOM 0 H LEU A 21 -8.705 17.173 6.714 1.00 0.51 H new ATOM 0 HA LEU A 21 -6.704 18.174 4.774 1.00 0.49 H new ATOM 0 HB2 LEU A 21 -7.476 19.032 7.594 1.00 0.54 H new ATOM 0 HB3 LEU A 21 -6.164 19.762 6.691 1.00 0.54 H new ATOM 0 HG LEU A 21 -8.308 21.040 6.513 1.00 0.50 H new ATOM 0 HD11 LEU A 21 -8.268 21.311 4.046 1.00 0.42 H new ATOM 0 HD12 LEU A 21 -6.622 21.207 4.715 1.00 0.42 H new ATOM 0 HD13 LEU A 21 -7.342 19.799 3.898 1.00 0.42 H new ATOM 0 HD21 LEU A 21 -10.151 20.099 5.135 1.00 0.51 H new ATOM 0 HD22 LEU A 21 -9.270 18.558 5.017 1.00 0.51 H new ATOM 0 HD23 LEU A 21 -9.868 19.122 6.595 1.00 0.51 H new ATOM 348 N ARG A 22 -4.800 16.797 5.708 1.00 0.48 N ATOM 349 CA ARG A 22 -3.629 16.052 6.265 1.00 0.55 C ATOM 350 C ARG A 22 -2.410 16.965 6.198 1.00 0.61 C ATOM 351 O ARG A 22 -2.219 17.680 5.235 1.00 0.56 O ATOM 352 CB ARG A 22 -3.392 14.795 5.425 1.00 0.46 C ATOM 353 CG ARG A 22 -2.493 13.818 6.192 1.00 0.49 C ATOM 354 CD ARG A 22 -3.292 13.105 7.313 1.00 0.54 C ATOM 355 NE ARG A 22 -2.526 13.147 8.602 1.00 0.77 N ATOM 356 CZ ARG A 22 -1.254 12.840 8.649 1.00 1.26 C ATOM 357 NH1 ARG A 22 -0.638 12.411 7.581 1.00 2.22 N ATOM 358 NH2 ARG A 22 -0.603 12.940 9.776 1.00 1.37 N ATOM 0 H ARG A 22 -4.755 16.973 4.704 1.00 0.48 H new ATOM 0 HA ARG A 22 -3.813 15.757 7.298 1.00 0.55 H new ATOM 0 HB2 ARG A 22 -4.344 14.319 5.190 1.00 0.46 H new ATOM 0 HB3 ARG A 22 -2.927 15.063 4.476 1.00 0.46 H new ATOM 0 HG2 ARG A 22 -2.081 13.079 5.505 1.00 0.49 H new ATOM 0 HG3 ARG A 22 -1.649 14.355 6.625 1.00 0.49 H new ATOM 0 HD2 ARG A 22 -4.261 13.587 7.442 1.00 0.54 H new ATOM 0 HD3 ARG A 22 -3.485 12.070 7.030 1.00 0.54 H new ATOM 0 HE ARG A 22 -3.006 13.420 9.460 1.00 0.77 H new ATOM 0 HH11 ARG A 22 -1.148 12.313 6.703 1.00 2.22 H new ATOM 0 HH12 ARG A 22 0.353 12.174 7.625 1.00 2.22 H new ATOM 0 HH21 ARG A 22 -1.085 13.257 10.617 1.00 1.37 H new ATOM 0 HH22 ARG A 22 0.388 12.701 9.815 1.00 1.37 H new ATOM 372 N GLU A 23 -1.594 16.977 7.218 1.00 0.74 N ATOM 373 CA GLU A 23 -0.412 17.883 7.197 1.00 0.82 C ATOM 374 C GLU A 23 -0.904 19.284 6.836 1.00 0.78 C ATOM 375 O GLU A 23 -0.238 20.038 6.157 1.00 0.80 O ATOM 376 CB GLU A 23 0.595 17.401 6.150 1.00 0.83 C ATOM 377 CG GLU A 23 1.224 16.085 6.612 1.00 0.91 C ATOM 378 CD GLU A 23 2.191 15.576 5.542 1.00 1.49 C ATOM 379 OE1 GLU A 23 1.965 15.869 4.379 1.00 1.86 O ATOM 380 OE2 GLU A 23 3.142 14.902 5.903 1.00 2.35 O ATOM 0 H GLU A 23 -1.694 16.405 8.056 1.00 0.74 H new ATOM 0 HA GLU A 23 0.079 17.890 8.170 1.00 0.82 H new ATOM 0 HB2 GLU A 23 0.098 17.261 5.190 1.00 0.83 H new ATOM 0 HB3 GLU A 23 1.369 18.154 6.002 1.00 0.83 H new ATOM 0 HG2 GLU A 23 1.753 16.234 7.554 1.00 0.91 H new ATOM 0 HG3 GLU A 23 0.447 15.344 6.797 1.00 0.91 H new ATOM 387 N GLU A 24 -2.091 19.615 7.278 1.00 0.75 N ATOM 388 CA GLU A 24 -2.682 20.947 6.968 1.00 0.72 C ATOM 389 C GLU A 24 -2.857 21.082 5.454 1.00 0.61 C ATOM 390 O GLU A 24 -2.637 22.136 4.891 1.00 0.61 O ATOM 391 CB GLU A 24 -1.770 22.066 7.485 1.00 0.81 C ATOM 392 CG GLU A 24 -1.325 21.750 8.915 1.00 1.00 C ATOM 393 CD GLU A 24 -2.555 21.594 9.811 1.00 1.62 C ATOM 394 OE1 GLU A 24 -3.392 22.481 9.795 1.00 2.09 O ATOM 395 OE2 GLU A 24 -2.639 20.589 10.498 1.00 2.31 O ATOM 0 H GLU A 24 -2.681 19.009 7.848 1.00 0.75 H new ATOM 0 HA GLU A 24 -3.651 21.031 7.459 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -0.899 22.167 6.837 1.00 0.81 H new ATOM 0 HB3 GLU A 24 -2.298 23.019 7.461 1.00 0.81 H new ATOM 0 HG2 GLU A 24 -0.734 20.834 8.929 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -0.686 22.548 9.293 1.00 1.00 H new ATOM 402 N SER A 25 -3.251 20.022 4.783 1.00 0.53 N ATOM 403 CA SER A 25 -3.436 20.105 3.299 1.00 0.44 C ATOM 404 C SER A 25 -4.563 19.138 2.845 1.00 0.34 C ATOM 405 O SER A 25 -4.632 18.031 3.339 1.00 0.35 O ATOM 406 CB SER A 25 -2.117 19.721 2.618 1.00 0.48 C ATOM 407 OG SER A 25 -1.031 20.177 3.413 1.00 0.57 O ATOM 0 H SER A 25 -3.451 19.111 5.196 1.00 0.53 H new ATOM 0 HA SER A 25 -3.718 21.120 3.021 1.00 0.44 H new ATOM 0 HB2 SER A 25 -2.061 18.640 2.490 1.00 0.48 H new ATOM 0 HB3 SER A 25 -2.066 20.163 1.623 1.00 0.48 H new ATOM 0 HG SER A 25 -0.920 19.585 4.186 1.00 0.57 H new ATOM 413 N PRO A 26 -5.416 19.559 1.912 1.00 0.27 N ATOM 414 CA PRO A 26 -6.512 18.693 1.417 1.00 0.20 C ATOM 415 C PRO A 26 -5.963 17.453 0.704 1.00 0.15 C ATOM 416 O PRO A 26 -5.210 17.554 -0.231 1.00 0.13 O ATOM 417 CB PRO A 26 -7.295 19.575 0.411 1.00 0.16 C ATOM 418 CG PRO A 26 -6.477 20.876 0.204 1.00 0.20 C ATOM 419 CD PRO A 26 -5.375 20.902 1.284 1.00 0.27 C ATOM 0 HA PRO A 26 -7.134 18.332 2.236 1.00 0.20 H new ATOM 0 HB2 PRO A 26 -7.430 19.051 -0.535 1.00 0.16 H new ATOM 0 HB3 PRO A 26 -8.290 19.803 0.793 1.00 0.16 H new ATOM 0 HG2 PRO A 26 -6.038 20.899 -0.793 1.00 0.20 H new ATOM 0 HG3 PRO A 26 -7.120 21.752 0.290 1.00 0.20 H new ATOM 0 HD2 PRO A 26 -4.398 21.102 0.845 1.00 0.27 H new ATOM 0 HD3 PRO A 26 -5.561 21.686 2.018 1.00 0.27 H new ATOM 427 N TYR A 27 -6.390 16.293 1.119 1.00 0.16 N ATOM 428 CA TYR A 27 -5.966 15.023 0.453 1.00 0.15 C ATOM 429 C TYR A 27 -7.249 14.346 -0.033 1.00 0.17 C ATOM 430 O TYR A 27 -8.260 14.376 0.640 1.00 0.23 O ATOM 431 CB TYR A 27 -5.275 14.091 1.477 1.00 0.21 C ATOM 432 CG TYR A 27 -3.777 14.339 1.655 1.00 0.25 C ATOM 433 CD1 TYR A 27 -3.088 15.394 1.026 1.00 0.26 C ATOM 434 CD2 TYR A 27 -3.072 13.465 2.491 1.00 0.31 C ATOM 435 CE1 TYR A 27 -1.715 15.558 1.237 1.00 0.34 C ATOM 436 CE2 TYR A 27 -1.699 13.633 2.700 1.00 0.38 C ATOM 437 CZ TYR A 27 -1.020 14.679 2.072 1.00 0.40 C ATOM 438 OH TYR A 27 0.334 14.846 2.278 1.00 0.48 O ATOM 0 H TYR A 27 -7.027 16.166 1.906 1.00 0.16 H new ATOM 0 HA TYR A 27 -5.269 15.225 -0.361 1.00 0.15 H new ATOM 0 HB2 TYR A 27 -5.766 14.207 2.443 1.00 0.21 H new ATOM 0 HB3 TYR A 27 -5.424 13.057 1.166 1.00 0.21 H new ATOM 0 HD1 TYR A 27 -3.620 16.077 0.380 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -3.593 12.654 2.979 1.00 0.31 H new ATOM 0 HE1 TYR A 27 -1.190 16.368 0.752 1.00 0.34 H new ATOM 0 HE2 TYR A 27 -1.164 12.954 3.347 1.00 0.38 H new ATOM 0 HH TYR A 27 0.485 15.232 3.166 1.00 0.48 H new ATOM 448 N CYS A 28 -7.229 13.725 -1.176 1.00 0.19 N ATOM 449 CA CYS A 28 -8.469 13.053 -1.640 1.00 0.26 C ATOM 450 C CYS A 28 -8.754 11.904 -0.685 1.00 0.30 C ATOM 451 O CYS A 28 -7.848 11.321 -0.126 1.00 0.28 O ATOM 452 CB CYS A 28 -8.295 12.519 -3.066 1.00 0.31 C ATOM 453 SG CYS A 28 -6.941 11.322 -3.117 1.00 0.31 S ATOM 0 H CYS A 28 -6.424 13.654 -1.798 1.00 0.19 H new ATOM 0 HA CYS A 28 -9.297 13.762 -1.651 1.00 0.26 H new ATOM 0 HB2 CYS A 28 -9.219 12.049 -3.403 1.00 0.31 H new ATOM 0 HB3 CYS A 28 -8.089 13.343 -3.749 1.00 0.31 H new ATOM 458 N VAL A 29 -9.999 11.576 -0.482 1.00 0.37 N ATOM 459 CA VAL A 29 -10.337 10.462 0.447 1.00 0.42 C ATOM 460 C VAL A 29 -9.390 9.289 0.196 1.00 0.39 C ATOM 461 O VAL A 29 -8.757 8.771 1.095 1.00 0.39 O ATOM 462 CB VAL A 29 -11.768 10.021 0.173 1.00 0.51 C ATOM 463 CG1 VAL A 29 -12.249 9.141 1.316 1.00 0.57 C ATOM 464 CG2 VAL A 29 -12.662 11.256 0.058 1.00 0.54 C ATOM 0 H VAL A 29 -10.799 12.032 -0.920 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.237 10.792 1.481 1.00 0.42 H new ATOM 0 HB VAL A 29 -11.810 9.457 -0.759 1.00 0.51 H new ATOM 0 HG11 VAL A 29 -13.274 8.823 1.124 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -11.606 8.265 1.396 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -12.213 9.704 2.249 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -13.688 10.945 -0.138 1.00 0.54 H new ATOM 0 HG22 VAL A 29 -12.626 11.820 0.990 1.00 0.54 H new ATOM 0 HG23 VAL A 29 -12.310 11.885 -0.760 1.00 0.54 H new ATOM 474 N VAL A 30 -9.294 8.884 -1.033 1.00 0.40 N ATOM 475 CA VAL A 30 -8.397 7.759 -1.396 1.00 0.39 C ATOM 476 C VAL A 30 -7.024 7.947 -0.745 1.00 0.35 C ATOM 477 O VAL A 30 -6.533 7.069 -0.068 1.00 0.37 O ATOM 478 CB VAL A 30 -8.235 7.724 -2.913 1.00 0.42 C ATOM 479 CG1 VAL A 30 -7.641 6.383 -3.329 1.00 0.46 C ATOM 480 CG2 VAL A 30 -9.603 7.901 -3.570 1.00 0.47 C ATOM 0 H VAL A 30 -9.807 9.291 -1.815 1.00 0.40 H new ATOM 0 HA VAL A 30 -8.831 6.824 -1.043 1.00 0.39 H new ATOM 0 HB VAL A 30 -7.571 8.528 -3.229 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -7.525 6.357 -4.412 1.00 0.46 H new ATOM 0 HG12 VAL A 30 -6.667 6.254 -2.856 1.00 0.46 H new ATOM 0 HG13 VAL A 30 -8.306 5.578 -3.016 1.00 0.46 H new ATOM 0 HG21 VAL A 30 -9.492 7.877 -4.654 1.00 0.47 H new ATOM 0 HG22 VAL A 30 -10.265 7.094 -3.255 1.00 0.47 H new ATOM 0 HG23 VAL A 30 -10.029 8.858 -3.270 1.00 0.47 H new ATOM 490 N CYS A 31 -6.391 9.077 -0.948 1.00 0.32 N ATOM 491 CA CYS A 31 -5.044 9.287 -0.337 1.00 0.31 C ATOM 492 C CYS A 31 -5.091 8.872 1.138 1.00 0.31 C ATOM 493 O CYS A 31 -4.445 7.934 1.555 1.00 0.33 O ATOM 494 CB CYS A 31 -4.648 10.771 -0.428 1.00 0.28 C ATOM 495 SG CYS A 31 -3.661 11.060 -1.916 1.00 0.30 S ATOM 0 H CYS A 31 -6.745 9.855 -1.505 1.00 0.32 H new ATOM 0 HA CYS A 31 -4.310 8.686 -0.874 1.00 0.31 H new ATOM 0 HB2 CYS A 31 -5.542 11.394 -0.449 1.00 0.28 H new ATOM 0 HB3 CYS A 31 -4.080 11.059 0.456 1.00 0.28 H new ATOM 500 N PHE A 32 -5.855 9.571 1.924 1.00 0.31 N ATOM 501 CA PHE A 32 -5.948 9.232 3.373 1.00 0.34 C ATOM 502 C PHE A 32 -6.115 7.718 3.553 1.00 0.34 C ATOM 503 O PHE A 32 -5.463 7.109 4.379 1.00 0.36 O ATOM 504 CB PHE A 32 -7.151 9.960 3.982 1.00 0.36 C ATOM 505 CG PHE A 32 -7.119 9.829 5.485 1.00 0.41 C ATOM 506 CD1 PHE A 32 -7.529 8.637 6.091 1.00 0.43 C ATOM 507 CD2 PHE A 32 -6.682 10.902 6.272 1.00 0.45 C ATOM 508 CE1 PHE A 32 -7.503 8.517 7.486 1.00 0.48 C ATOM 509 CE2 PHE A 32 -6.655 10.782 7.666 1.00 0.51 C ATOM 510 CZ PHE A 32 -7.066 9.589 8.274 1.00 0.52 C ATOM 0 H PHE A 32 -6.422 10.365 1.628 1.00 0.31 H new ATOM 0 HA PHE A 32 -5.033 9.545 3.876 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -7.133 11.012 3.699 1.00 0.36 H new ATOM 0 HB3 PHE A 32 -8.078 9.541 3.591 1.00 0.36 H new ATOM 0 HD1 PHE A 32 -7.865 7.810 5.484 1.00 0.43 H new ATOM 0 HD2 PHE A 32 -6.366 11.822 5.803 1.00 0.45 H new ATOM 0 HE1 PHE A 32 -7.820 7.597 7.954 1.00 0.48 H new ATOM 0 HE2 PHE A 32 -6.317 11.609 8.273 1.00 0.51 H new ATOM 0 HZ PHE A 32 -7.046 9.496 9.350 1.00 0.52 H new ATOM 520 N GLU A 33 -6.989 7.108 2.801 1.00 0.35 N ATOM 521 CA GLU A 33 -7.202 5.644 2.948 1.00 0.36 C ATOM 522 C GLU A 33 -5.990 4.860 2.433 1.00 0.36 C ATOM 523 O GLU A 33 -5.329 4.170 3.177 1.00 0.37 O ATOM 524 CB GLU A 33 -8.435 5.254 2.146 1.00 0.40 C ATOM 525 CG GLU A 33 -9.658 5.946 2.749 1.00 0.43 C ATOM 526 CD GLU A 33 -10.097 5.209 4.017 1.00 1.08 C ATOM 527 OE1 GLU A 33 -10.785 4.210 3.889 1.00 1.91 O ATOM 528 OE2 GLU A 33 -9.738 5.657 5.093 1.00 1.52 O ATOM 0 H GLU A 33 -7.564 7.562 2.091 1.00 0.35 H new ATOM 0 HA GLU A 33 -7.338 5.406 4.003 1.00 0.36 H new ATOM 0 HB2 GLU A 33 -8.314 5.545 1.103 1.00 0.40 H new ATOM 0 HB3 GLU A 33 -8.568 4.172 2.162 1.00 0.40 H new ATOM 0 HG2 GLU A 33 -9.421 6.984 2.984 1.00 0.43 H new ATOM 0 HG3 GLU A 33 -10.473 5.961 2.025 1.00 0.43 H new ATOM 535 N THR A 34 -5.704 4.945 1.164 1.00 0.37 N ATOM 536 CA THR A 34 -4.549 4.182 0.603 1.00 0.39 C ATOM 537 C THR A 34 -3.281 4.422 1.436 1.00 0.39 C ATOM 538 O THR A 34 -2.539 3.506 1.729 1.00 0.40 O ATOM 539 CB THR A 34 -4.327 4.601 -0.865 1.00 0.42 C ATOM 540 OG1 THR A 34 -3.723 3.528 -1.572 1.00 0.46 O ATOM 541 CG2 THR A 34 -3.428 5.838 -0.960 1.00 0.42 C ATOM 0 H THR A 34 -6.219 5.510 0.489 1.00 0.37 H new ATOM 0 HA THR A 34 -4.772 3.116 0.641 1.00 0.39 H new ATOM 0 HB THR A 34 -5.295 4.846 -1.302 1.00 0.42 H new ATOM 0 HG1 THR A 34 -3.582 3.790 -2.506 1.00 0.46 H new ATOM 0 HG21 THR A 34 -3.290 6.108 -2.007 1.00 0.42 H new ATOM 0 HG22 THR A 34 -3.894 6.668 -0.429 1.00 0.42 H new ATOM 0 HG23 THR A 34 -2.459 5.619 -0.512 1.00 0.42 H new ATOM 549 N LEU A 35 -3.016 5.646 1.794 1.00 0.38 N ATOM 550 CA LEU A 35 -1.783 5.943 2.579 1.00 0.40 C ATOM 551 C LEU A 35 -1.730 5.106 3.860 1.00 0.41 C ATOM 552 O LEU A 35 -0.772 4.401 4.110 1.00 0.44 O ATOM 553 CB LEU A 35 -1.773 7.421 2.973 1.00 0.40 C ATOM 554 CG LEU A 35 -1.590 8.317 1.737 1.00 0.41 C ATOM 555 CD1 LEU A 35 -1.986 9.747 2.099 1.00 0.40 C ATOM 556 CD2 LEU A 35 -0.123 8.299 1.270 1.00 0.48 C ATOM 0 H LEU A 35 -3.599 6.455 1.578 1.00 0.38 H new ATOM 0 HA LEU A 35 -0.922 5.701 1.956 1.00 0.40 H new ATOM 0 HB2 LEU A 35 -2.707 7.674 3.475 1.00 0.40 H new ATOM 0 HB3 LEU A 35 -0.968 7.607 3.684 1.00 0.40 H new ATOM 0 HG LEU A 35 -2.219 7.943 0.929 1.00 0.41 H new ATOM 0 HD11 LEU A 35 -1.860 10.391 1.229 1.00 0.40 H new ATOM 0 HD12 LEU A 35 -3.029 9.767 2.417 1.00 0.40 H new ATOM 0 HD13 LEU A 35 -1.353 10.106 2.910 1.00 0.40 H new ATOM 0 HD21 LEU A 35 -0.012 8.939 0.394 1.00 0.48 H new ATOM 0 HD22 LEU A 35 0.518 8.666 2.071 1.00 0.48 H new ATOM 0 HD23 LEU A 35 0.165 7.279 1.013 1.00 0.48 H new ATOM 568 N PHE A 36 -2.727 5.213 4.697 1.00 0.39 N ATOM 569 CA PHE A 36 -2.714 4.463 5.997 1.00 0.41 C ATOM 570 C PHE A 36 -3.531 3.163 5.916 1.00 0.39 C ATOM 571 O PHE A 36 -3.612 2.422 6.876 1.00 0.40 O ATOM 572 CB PHE A 36 -3.305 5.373 7.083 1.00 0.45 C ATOM 573 CG PHE A 36 -2.952 6.818 6.793 1.00 0.47 C ATOM 574 CD1 PHE A 36 -1.668 7.157 6.338 1.00 0.48 C ATOM 575 CD2 PHE A 36 -3.912 7.820 6.978 1.00 0.49 C ATOM 576 CE1 PHE A 36 -1.350 8.493 6.071 1.00 0.52 C ATOM 577 CE2 PHE A 36 -3.591 9.155 6.710 1.00 0.52 C ATOM 578 CZ PHE A 36 -2.310 9.491 6.256 1.00 0.53 C ATOM 0 H PHE A 36 -3.555 5.788 4.540 1.00 0.39 H new ATOM 0 HA PHE A 36 -1.686 4.188 6.232 1.00 0.41 H new ATOM 0 HB2 PHE A 36 -4.388 5.254 7.120 1.00 0.45 H new ATOM 0 HB3 PHE A 36 -2.920 5.085 8.061 1.00 0.45 H new ATOM 0 HD1 PHE A 36 -0.925 6.386 6.194 1.00 0.48 H new ATOM 0 HD2 PHE A 36 -4.901 7.562 7.328 1.00 0.49 H new ATOM 0 HE1 PHE A 36 -0.362 8.753 5.722 1.00 0.52 H new ATOM 0 HE2 PHE A 36 -4.332 9.927 6.853 1.00 0.52 H new ATOM 0 HZ PHE A 36 -2.064 10.522 6.049 1.00 0.53 H new ATOM 588 N ALA A 37 -4.141 2.877 4.805 1.00 0.36 N ATOM 589 CA ALA A 37 -4.948 1.623 4.711 1.00 0.34 C ATOM 590 C ALA A 37 -4.042 0.402 4.912 1.00 0.29 C ATOM 591 O ALA A 37 -2.844 0.462 4.720 1.00 0.31 O ATOM 592 CB ALA A 37 -5.624 1.543 3.339 1.00 0.38 C ATOM 0 H ALA A 37 -4.120 3.449 3.961 1.00 0.36 H new ATOM 0 HA ALA A 37 -5.712 1.633 5.489 1.00 0.34 H new ATOM 0 HB1 ALA A 37 -6.211 0.627 3.276 1.00 0.38 H new ATOM 0 HB2 ALA A 37 -6.279 2.404 3.205 1.00 0.38 H new ATOM 0 HB3 ALA A 37 -4.863 1.541 2.558 1.00 0.38 H new ATOM 598 N ASN A 38 -4.618 -0.707 5.296 1.00 0.26 N ATOM 599 CA ASN A 38 -3.819 -1.947 5.514 1.00 0.24 C ATOM 600 C ASN A 38 -3.712 -2.717 4.197 1.00 0.23 C ATOM 601 O ASN A 38 -4.545 -2.588 3.329 1.00 0.24 O ATOM 602 CB ASN A 38 -4.520 -2.820 6.555 1.00 0.23 C ATOM 603 CG ASN A 38 -4.278 -2.246 7.953 1.00 0.36 C ATOM 604 OD1 ASN A 38 -3.154 -1.964 8.320 1.00 1.10 O ATOM 605 ND2 ASN A 38 -5.291 -2.061 8.754 1.00 1.22 N ATOM 0 H ASN A 38 -5.618 -0.806 5.469 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.821 -1.685 5.866 1.00 0.24 H new ATOM 0 HB2 ASN A 38 -5.589 -2.862 6.348 1.00 0.23 H new ATOM 0 HB3 ASN A 38 -4.144 -3.842 6.500 1.00 0.23 H new ATOM 0 HD21 ASN A 38 -5.140 -1.680 9.688 1.00 1.22 H new ATOM 0 HD22 ASN A 38 -6.234 -2.298 8.446 1.00 1.22 H new ATOM 612 N THR A 39 -2.688 -3.514 4.036 1.00 0.28 N ATOM 613 CA THR A 39 -2.531 -4.287 2.765 1.00 0.33 C ATOM 614 C THR A 39 -3.206 -5.656 2.891 1.00 0.29 C ATOM 615 O THR A 39 -3.076 -6.335 3.890 1.00 0.28 O ATOM 616 CB THR A 39 -1.040 -4.493 2.476 1.00 0.43 C ATOM 617 OG1 THR A 39 -0.336 -3.288 2.746 1.00 0.48 O ATOM 618 CG2 THR A 39 -0.851 -4.880 1.008 1.00 0.50 C ATOM 0 H THR A 39 -1.954 -3.664 4.728 1.00 0.28 H new ATOM 0 HA THR A 39 -2.997 -3.729 1.953 1.00 0.33 H new ATOM 0 HB THR A 39 -0.653 -5.290 3.111 1.00 0.43 H new ATOM 0 HG1 THR A 39 0.618 -3.419 2.563 1.00 0.48 H new ATOM 0 HG21 THR A 39 0.210 -5.026 0.804 1.00 0.50 H new ATOM 0 HG22 THR A 39 -1.391 -5.805 0.803 1.00 0.50 H new ATOM 0 HG23 THR A 39 -1.237 -4.085 0.370 1.00 0.50 H new ATOM 626 N CYS A 40 -3.907 -6.076 1.870 1.00 0.31 N ATOM 627 CA CYS A 40 -4.571 -7.413 1.908 1.00 0.32 C ATOM 628 C CYS A 40 -3.595 -8.447 1.358 1.00 0.42 C ATOM 629 O CYS A 40 -3.375 -8.551 0.169 1.00 0.51 O ATOM 630 CB CYS A 40 -5.844 -7.380 1.058 1.00 0.36 C ATOM 631 SG CYS A 40 -6.382 -9.064 0.673 1.00 0.45 S ATOM 0 H CYS A 40 -4.049 -5.549 1.009 1.00 0.31 H new ATOM 0 HA CYS A 40 -4.846 -7.672 2.930 1.00 0.32 H new ATOM 0 HB2 CYS A 40 -6.633 -6.852 1.593 1.00 0.36 H new ATOM 0 HB3 CYS A 40 -5.660 -6.829 0.135 1.00 0.36 H new ATOM 636 N GLU A 41 -2.999 -9.198 2.228 1.00 0.43 N ATOM 637 CA GLU A 41 -2.014 -10.224 1.799 1.00 0.54 C ATOM 638 C GLU A 41 -2.537 -11.006 0.589 1.00 0.61 C ATOM 639 O GLU A 41 -1.780 -11.633 -0.125 1.00 0.71 O ATOM 640 CB GLU A 41 -1.765 -11.172 2.966 1.00 0.56 C ATOM 641 CG GLU A 41 -1.307 -10.358 4.181 1.00 0.53 C ATOM 642 CD GLU A 41 -1.139 -11.283 5.387 1.00 0.57 C ATOM 643 OE1 GLU A 41 -0.068 -11.848 5.531 1.00 1.29 O ATOM 644 OE2 GLU A 41 -2.086 -11.411 6.146 1.00 1.15 O ATOM 0 H GLU A 41 -3.153 -9.146 3.235 1.00 0.43 H new ATOM 0 HA GLU A 41 -1.085 -9.736 1.506 1.00 0.54 H new ATOM 0 HB2 GLU A 41 -2.675 -11.724 3.204 1.00 0.56 H new ATOM 0 HB3 GLU A 41 -1.007 -11.908 2.698 1.00 0.56 H new ATOM 0 HG2 GLU A 41 -0.364 -9.857 3.961 1.00 0.53 H new ATOM 0 HG3 GLU A 41 -2.037 -9.580 4.406 1.00 0.53 H new ATOM 651 N GLU A 42 -3.821 -10.979 0.346 1.00 0.57 N ATOM 652 CA GLU A 42 -4.373 -11.728 -0.828 1.00 0.66 C ATOM 653 C GLU A 42 -4.329 -10.833 -2.074 1.00 0.71 C ATOM 654 O GLU A 42 -3.713 -11.166 -3.066 1.00 0.80 O ATOM 655 CB GLU A 42 -5.825 -12.148 -0.540 1.00 0.65 C ATOM 656 CG GLU A 42 -6.215 -13.327 -1.437 1.00 0.76 C ATOM 657 CD GLU A 42 -6.169 -12.892 -2.903 1.00 0.84 C ATOM 658 OE1 GLU A 42 -7.067 -12.178 -3.317 1.00 1.38 O ATOM 659 OE2 GLU A 42 -5.236 -13.280 -3.587 1.00 1.34 O ATOM 0 H GLU A 42 -4.510 -10.475 0.904 1.00 0.57 H new ATOM 0 HA GLU A 42 -3.771 -12.620 -1.003 1.00 0.66 H new ATOM 0 HB2 GLU A 42 -5.931 -12.427 0.508 1.00 0.65 H new ATOM 0 HB3 GLU A 42 -6.497 -11.308 -0.716 1.00 0.65 H new ATOM 0 HG2 GLU A 42 -5.534 -14.163 -1.273 1.00 0.76 H new ATOM 0 HG3 GLU A 42 -7.216 -13.676 -1.182 1.00 0.76 H new ATOM 666 N CYS A 43 -4.979 -9.699 -2.029 1.00 0.66 N ATOM 667 CA CYS A 43 -4.972 -8.788 -3.211 1.00 0.72 C ATOM 668 C CYS A 43 -3.644 -8.035 -3.271 1.00 0.72 C ATOM 669 O CYS A 43 -3.063 -7.860 -4.324 1.00 0.80 O ATOM 670 CB CYS A 43 -6.106 -7.768 -3.079 1.00 0.69 C ATOM 671 SG CYS A 43 -7.683 -8.628 -2.883 1.00 0.71 S ATOM 0 H CYS A 43 -5.513 -9.365 -1.227 1.00 0.66 H new ATOM 0 HA CYS A 43 -5.106 -9.380 -4.116 1.00 0.72 H new ATOM 0 HB2 CYS A 43 -5.926 -7.119 -2.222 1.00 0.69 H new ATOM 0 HB3 CYS A 43 -6.137 -7.129 -3.961 1.00 0.69 H new ATOM 676 N GLY A 44 -3.169 -7.574 -2.147 1.00 0.64 N ATOM 677 CA GLY A 44 -1.886 -6.813 -2.124 1.00 0.66 C ATOM 678 C GLY A 44 -2.204 -5.321 -2.213 1.00 0.64 C ATOM 679 O GLY A 44 -1.340 -4.479 -2.069 1.00 0.66 O ATOM 0 H GLY A 44 -3.616 -7.692 -1.238 1.00 0.64 H new ATOM 0 HA2 GLY A 44 -1.334 -7.029 -1.209 1.00 0.66 H new ATOM 0 HA3 GLY A 44 -1.252 -7.115 -2.957 1.00 0.66 H new ATOM 683 N LYS A 45 -3.448 -4.990 -2.450 1.00 0.61 N ATOM 684 CA LYS A 45 -3.847 -3.555 -2.550 1.00 0.60 C ATOM 685 C LYS A 45 -4.313 -3.070 -1.161 1.00 0.50 C ATOM 686 O LYS A 45 -4.813 -3.866 -0.391 1.00 0.45 O ATOM 687 CB LYS A 45 -5.007 -3.434 -3.544 1.00 0.67 C ATOM 688 CG LYS A 45 -4.483 -3.619 -4.973 1.00 1.32 C ATOM 689 CD LYS A 45 -5.650 -3.937 -5.912 1.00 1.79 C ATOM 690 CE LYS A 45 -6.622 -2.755 -5.941 1.00 2.31 C ATOM 691 NZ LYS A 45 -7.555 -2.909 -7.092 1.00 2.83 N ATOM 0 H LYS A 45 -4.209 -5.657 -2.579 1.00 0.61 H new ATOM 0 HA LYS A 45 -3.005 -2.951 -2.889 1.00 0.60 H new ATOM 0 HB2 LYS A 45 -5.767 -4.184 -3.325 1.00 0.67 H new ATOM 0 HB3 LYS A 45 -5.484 -2.459 -3.444 1.00 0.67 H new ATOM 0 HG2 LYS A 45 -3.973 -2.714 -5.304 1.00 1.32 H new ATOM 0 HG3 LYS A 45 -3.751 -4.426 -5.001 1.00 1.32 H new ATOM 0 HD2 LYS A 45 -5.277 -4.139 -6.916 1.00 1.79 H new ATOM 0 HD3 LYS A 45 -6.166 -4.837 -5.576 1.00 1.79 H new ATOM 0 HE2 LYS A 45 -7.183 -2.709 -5.008 1.00 2.31 H new ATOM 0 HE3 LYS A 45 -6.071 -1.819 -6.028 1.00 2.31 H new ATOM 0 HZ1 LYS A 45 -8.216 -2.106 -7.113 1.00 2.83 H new ATOM 0 HZ2 LYS A 45 -7.012 -2.933 -7.978 1.00 2.83 H new ATOM 0 HZ3 LYS A 45 -8.090 -3.795 -6.989 1.00 2.83 H new ATOM 705 N PRO A 46 -4.156 -1.791 -0.862 1.00 0.48 N ATOM 706 CA PRO A 46 -4.589 -1.260 0.443 1.00 0.39 C ATOM 707 C PRO A 46 -6.084 -1.552 0.664 1.00 0.37 C ATOM 708 O PRO A 46 -6.875 -1.511 -0.257 1.00 0.44 O ATOM 709 CB PRO A 46 -4.320 0.263 0.363 1.00 0.43 C ATOM 710 CG PRO A 46 -3.668 0.555 -1.016 1.00 0.52 C ATOM 711 CD PRO A 46 -3.550 -0.788 -1.765 1.00 0.55 C ATOM 0 HA PRO A 46 -4.058 -1.716 1.279 1.00 0.39 H new ATOM 0 HB2 PRO A 46 -5.249 0.822 0.473 1.00 0.43 H new ATOM 0 HB3 PRO A 46 -3.661 0.578 1.172 1.00 0.43 H new ATOM 0 HG2 PRO A 46 -4.274 1.260 -1.585 1.00 0.52 H new ATOM 0 HG3 PRO A 46 -2.686 1.010 -0.887 1.00 0.52 H new ATOM 0 HD2 PRO A 46 -4.072 -0.753 -2.721 1.00 0.55 H new ATOM 0 HD3 PRO A 46 -2.509 -1.029 -1.979 1.00 0.55 H new ATOM 719 N ILE A 47 -6.474 -1.832 1.884 1.00 0.30 N ATOM 720 CA ILE A 47 -7.915 -2.111 2.176 1.00 0.32 C ATOM 721 C ILE A 47 -8.559 -0.840 2.732 1.00 0.35 C ATOM 722 O ILE A 47 -8.333 -0.463 3.865 1.00 0.33 O ATOM 723 CB ILE A 47 -8.026 -3.233 3.213 1.00 0.27 C ATOM 724 CG1 ILE A 47 -7.180 -4.431 2.756 1.00 0.24 C ATOM 725 CG2 ILE A 47 -9.492 -3.660 3.344 1.00 0.37 C ATOM 726 CD1 ILE A 47 -7.280 -5.580 3.769 1.00 0.22 C ATOM 0 H ILE A 47 -5.854 -1.879 2.693 1.00 0.30 H new ATOM 0 HA ILE A 47 -8.423 -2.419 1.262 1.00 0.32 H new ATOM 0 HB ILE A 47 -7.664 -2.879 4.178 1.00 0.27 H new ATOM 0 HG12 ILE A 47 -7.520 -4.771 1.778 1.00 0.24 H new ATOM 0 HG13 ILE A 47 -6.139 -4.127 2.644 1.00 0.24 H new ATOM 0 HG21 ILE A 47 -9.574 -4.458 4.081 1.00 0.37 H new ATOM 0 HG22 ILE A 47 -10.092 -2.808 3.664 1.00 0.37 H new ATOM 0 HG23 ILE A 47 -9.854 -4.018 2.380 1.00 0.37 H new ATOM 0 HD11 ILE A 47 -6.674 -6.419 3.428 1.00 0.22 H new ATOM 0 HD12 ILE A 47 -6.918 -5.242 4.740 1.00 0.22 H new ATOM 0 HD13 ILE A 47 -8.319 -5.896 3.860 1.00 0.22 H new ATOM 738 N GLY A 48 -9.353 -0.172 1.942 1.00 0.42 N ATOM 739 CA GLY A 48 -10.002 1.080 2.423 1.00 0.47 C ATOM 740 C GLY A 48 -10.934 0.764 3.591 1.00 0.58 C ATOM 741 O GLY A 48 -11.456 -0.327 3.708 1.00 0.62 O ATOM 0 H GLY A 48 -9.581 -0.439 0.984 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -9.243 1.797 2.735 1.00 0.47 H new ATOM 0 HA3 GLY A 48 -10.564 1.544 1.612 1.00 0.47 H new ATOM 745 N CYS A 49 -11.151 1.717 4.454 1.00 0.73 N ATOM 746 CA CYS A 49 -12.053 1.483 5.613 1.00 0.92 C ATOM 747 C CYS A 49 -13.502 1.447 5.121 1.00 1.05 C ATOM 748 O CYS A 49 -14.387 0.965 5.800 1.00 1.19 O ATOM 749 CB CYS A 49 -11.879 2.619 6.623 1.00 1.09 C ATOM 750 SG CYS A 49 -10.373 2.342 7.587 1.00 2.27 S ATOM 0 H CYS A 49 -10.741 2.650 4.405 1.00 0.73 H new ATOM 0 HA CYS A 49 -11.808 0.534 6.090 1.00 0.92 H new ATOM 0 HB2 CYS A 49 -11.821 3.576 6.104 1.00 1.09 H new ATOM 0 HB3 CYS A 49 -12.744 2.667 7.285 1.00 1.09 H new ATOM 0 HG CYS A 49 -10.223 3.308 8.444 1.00 2.27 H new ATOM 756 N ASP A 50 -13.749 1.953 3.944 1.00 1.06 N ATOM 757 CA ASP A 50 -15.139 1.947 3.406 1.00 1.26 C ATOM 758 C ASP A 50 -15.501 0.531 2.955 1.00 1.20 C ATOM 759 O ASP A 50 -16.317 0.338 2.076 1.00 1.40 O ATOM 760 CB ASP A 50 -15.228 2.903 2.214 1.00 1.37 C ATOM 761 CG ASP A 50 -16.698 3.176 1.888 1.00 2.11 C ATOM 762 OD1 ASP A 50 -17.545 2.514 2.465 1.00 2.74 O ATOM 763 OD2 ASP A 50 -16.951 4.042 1.066 1.00 2.78 O ATOM 0 H ASP A 50 -13.048 2.370 3.331 1.00 1.06 H new ATOM 0 HA ASP A 50 -15.833 2.270 4.182 1.00 1.26 H new ATOM 0 HB2 ASP A 50 -14.716 3.837 2.444 1.00 1.37 H new ATOM 0 HB3 ASP A 50 -14.727 2.470 1.348 1.00 1.37 H new ATOM 768 N CYS A 51 -14.898 -0.462 3.552 1.00 1.02 N ATOM 769 CA CYS A 51 -15.200 -1.872 3.166 1.00 1.00 C ATOM 770 C CYS A 51 -15.017 -2.777 4.385 1.00 0.94 C ATOM 771 O CYS A 51 -14.655 -2.327 5.454 1.00 0.94 O ATOM 772 CB CYS A 51 -14.244 -2.313 2.055 1.00 0.95 C ATOM 773 SG CYS A 51 -14.314 -1.125 0.692 1.00 1.39 S ATOM 0 H CYS A 51 -14.206 -0.357 4.294 1.00 1.02 H new ATOM 0 HA CYS A 51 -16.227 -1.942 2.808 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -13.227 -2.380 2.441 1.00 0.95 H new ATOM 0 HB3 CYS A 51 -14.516 -3.307 1.700 1.00 0.95 H new ATOM 0 HG CYS A 51 -15.380 -0.391 0.811 1.00 1.39 H new ATOM 779 N LYS A 52 -15.266 -4.050 4.237 1.00 0.96 N ATOM 780 CA LYS A 52 -15.108 -4.979 5.392 1.00 0.96 C ATOM 781 C LYS A 52 -13.635 -5.369 5.535 1.00 0.81 C ATOM 782 O LYS A 52 -13.155 -6.269 4.875 1.00 0.81 O ATOM 783 CB LYS A 52 -15.946 -6.242 5.155 1.00 1.11 C ATOM 784 CG LYS A 52 -17.419 -5.866 4.922 1.00 1.64 C ATOM 785 CD LYS A 52 -18.121 -5.616 6.262 1.00 2.23 C ATOM 786 CE LYS A 52 -19.617 -5.405 6.020 1.00 2.75 C ATOM 787 NZ LYS A 52 -20.236 -6.689 5.586 1.00 3.01 N ATOM 0 H LYS A 52 -15.572 -4.486 3.367 1.00 0.96 H new ATOM 0 HA LYS A 52 -15.446 -4.484 6.302 1.00 0.96 H new ATOM 0 HB2 LYS A 52 -15.561 -6.786 4.292 1.00 1.11 H new ATOM 0 HB3 LYS A 52 -15.865 -6.908 6.014 1.00 1.11 H new ATOM 0 HG2 LYS A 52 -17.480 -4.973 4.299 1.00 1.64 H new ATOM 0 HG3 LYS A 52 -17.925 -6.666 4.382 1.00 1.64 H new ATOM 0 HD2 LYS A 52 -17.965 -6.463 6.930 1.00 2.23 H new ATOM 0 HD3 LYS A 52 -17.693 -4.741 6.751 1.00 2.23 H new ATOM 0 HE2 LYS A 52 -20.097 -5.047 6.931 1.00 2.75 H new ATOM 0 HE3 LYS A 52 -19.769 -4.640 5.258 1.00 2.75 H new ATOM 0 HZ1 LYS A 52 -21.258 -6.664 5.777 1.00 3.01 H new ATOM 0 HZ2 LYS A 52 -20.077 -6.824 4.567 1.00 3.01 H new ATOM 0 HZ3 LYS A 52 -19.806 -7.477 6.111 1.00 3.01 H new ATOM 801 N ASP A 53 -12.915 -4.701 6.396 1.00 0.73 N ATOM 802 CA ASP A 53 -11.473 -5.034 6.589 1.00 0.59 C ATOM 803 C ASP A 53 -11.350 -6.144 7.634 1.00 0.61 C ATOM 804 O ASP A 53 -11.442 -5.903 8.821 1.00 0.75 O ATOM 805 CB ASP A 53 -10.723 -3.792 7.075 1.00 0.59 C ATOM 806 CG ASP A 53 -11.432 -3.213 8.300 1.00 0.72 C ATOM 807 OD1 ASP A 53 -12.651 -3.266 8.335 1.00 1.24 O ATOM 808 OD2 ASP A 53 -10.745 -2.728 9.184 1.00 1.34 O ATOM 0 H ASP A 53 -13.264 -3.937 6.975 1.00 0.73 H new ATOM 0 HA ASP A 53 -11.044 -5.369 5.644 1.00 0.59 H new ATOM 0 HB2 ASP A 53 -9.694 -4.051 7.326 1.00 0.59 H new ATOM 0 HB3 ASP A 53 -10.680 -3.047 6.281 1.00 0.59 H new ATOM 813 N LEU A 54 -11.150 -7.359 7.204 1.00 0.53 N ATOM 814 CA LEU A 54 -11.032 -8.481 8.178 1.00 0.57 C ATOM 815 C LEU A 54 -9.668 -8.379 8.880 1.00 0.53 C ATOM 816 O LEU A 54 -8.641 -8.354 8.235 1.00 0.45 O ATOM 817 CB LEU A 54 -11.136 -9.823 7.405 1.00 0.57 C ATOM 818 CG LEU A 54 -11.825 -10.993 8.207 1.00 0.67 C ATOM 819 CD1 LEU A 54 -11.023 -12.291 8.032 1.00 0.65 C ATOM 820 CD2 LEU A 54 -11.955 -10.715 9.720 1.00 0.74 C ATOM 0 H LEU A 54 -11.063 -7.623 6.223 1.00 0.53 H new ATOM 0 HA LEU A 54 -11.826 -8.432 8.923 1.00 0.57 H new ATOM 0 HB2 LEU A 54 -11.694 -9.654 6.484 1.00 0.57 H new ATOM 0 HB3 LEU A 54 -10.134 -10.139 7.117 1.00 0.57 H new ATOM 0 HG LEU A 54 -12.831 -11.081 7.796 1.00 0.67 H new ATOM 0 HD11 LEU A 54 -11.505 -13.094 8.589 1.00 0.65 H new ATOM 0 HD12 LEU A 54 -10.984 -12.555 6.975 1.00 0.65 H new ATOM 0 HD13 LEU A 54 -10.010 -12.146 8.408 1.00 0.65 H new ATOM 0 HD21 LEU A 54 -12.438 -11.563 10.206 1.00 0.74 H new ATOM 0 HD22 LEU A 54 -10.964 -10.567 10.149 1.00 0.74 H new ATOM 0 HD23 LEU A 54 -12.555 -9.818 9.875 1.00 0.74 H new ATOM 832 N SER A 55 -9.652 -8.323 10.189 1.00 0.61 N ATOM 833 CA SER A 55 -8.354 -8.225 10.936 1.00 0.62 C ATOM 834 C SER A 55 -8.152 -9.484 11.786 1.00 0.69 C ATOM 835 O SER A 55 -8.988 -9.840 12.593 1.00 0.77 O ATOM 836 CB SER A 55 -8.387 -6.992 11.843 1.00 0.69 C ATOM 837 OG SER A 55 -9.011 -5.918 11.150 1.00 1.43 O ATOM 0 H SER A 55 -10.485 -8.341 10.777 1.00 0.61 H new ATOM 0 HA SER A 55 -7.531 -8.136 10.227 1.00 0.62 H new ATOM 0 HB2 SER A 55 -8.933 -7.215 12.760 1.00 0.69 H new ATOM 0 HB3 SER A 55 -7.374 -6.713 12.134 1.00 0.69 H new ATOM 0 HG SER A 55 -9.036 -5.127 11.728 1.00 1.43 H new ATOM 843 N TYR A 56 -7.044 -10.159 11.612 1.00 0.68 N ATOM 844 CA TYR A 56 -6.783 -11.395 12.411 1.00 0.77 C ATOM 845 C TYR A 56 -5.268 -11.574 12.583 1.00 0.81 C ATOM 846 O TYR A 56 -4.500 -11.311 11.685 1.00 0.75 O ATOM 847 CB TYR A 56 -7.387 -12.615 11.680 1.00 0.72 C ATOM 848 CG TYR A 56 -7.869 -13.631 12.693 1.00 0.81 C ATOM 849 CD1 TYR A 56 -6.949 -14.467 13.329 1.00 0.86 C ATOM 850 CD2 TYR A 56 -9.231 -13.729 13.001 1.00 0.87 C ATOM 851 CE1 TYR A 56 -7.385 -15.403 14.273 1.00 0.95 C ATOM 852 CE2 TYR A 56 -9.669 -14.664 13.945 1.00 0.97 C ATOM 853 CZ TYR A 56 -8.746 -15.502 14.582 1.00 1.00 C ATOM 854 OH TYR A 56 -9.179 -16.425 15.512 1.00 1.10 O ATOM 0 H TYR A 56 -6.309 -9.908 10.951 1.00 0.68 H new ATOM 0 HA TYR A 56 -7.246 -11.308 13.394 1.00 0.77 H new ATOM 0 HB2 TYR A 56 -8.215 -12.298 11.047 1.00 0.72 H new ATOM 0 HB3 TYR A 56 -6.640 -13.065 11.026 1.00 0.72 H new ATOM 0 HD1 TYR A 56 -5.898 -14.391 13.092 1.00 0.86 H new ATOM 0 HD2 TYR A 56 -9.944 -13.083 12.510 1.00 0.87 H new ATOM 0 HE1 TYR A 56 -6.671 -16.049 14.763 1.00 0.95 H new ATOM 0 HE2 TYR A 56 -10.720 -14.739 14.182 1.00 0.97 H new ATOM 0 HH TYR A 56 -10.152 -16.361 15.608 1.00 1.10 H new ATOM 864 N LYS A 57 -4.837 -12.022 13.730 1.00 0.96 N ATOM 865 CA LYS A 57 -3.377 -12.217 13.961 1.00 1.04 C ATOM 866 C LYS A 57 -2.612 -10.961 13.522 1.00 0.97 C ATOM 867 O LYS A 57 -1.645 -11.031 12.795 1.00 0.95 O ATOM 868 CB LYS A 57 -2.895 -13.430 13.161 1.00 1.05 C ATOM 869 CG LYS A 57 -1.515 -13.871 13.665 1.00 1.18 C ATOM 870 CD LYS A 57 -1.040 -15.113 12.891 1.00 1.29 C ATOM 871 CE LYS A 57 -1.674 -16.383 13.473 1.00 1.60 C ATOM 872 NZ LYS A 57 -1.027 -17.581 12.866 1.00 2.23 N ATOM 0 H LYS A 57 -5.435 -12.262 14.520 1.00 0.96 H new ATOM 0 HA LYS A 57 -3.194 -12.390 15.022 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -3.607 -14.249 13.261 1.00 1.05 H new ATOM 0 HB3 LYS A 57 -2.842 -13.180 12.101 1.00 1.05 H new ATOM 0 HG2 LYS A 57 -0.798 -13.060 13.541 1.00 1.18 H new ATOM 0 HG3 LYS A 57 -1.563 -14.094 14.731 1.00 1.18 H new ATOM 0 HD2 LYS A 57 -1.305 -15.016 11.838 1.00 1.29 H new ATOM 0 HD3 LYS A 57 0.046 -15.186 12.940 1.00 1.29 H new ATOM 0 HE2 LYS A 57 -1.553 -16.400 14.556 1.00 1.60 H new ATOM 0 HE3 LYS A 57 -2.745 -16.393 13.272 1.00 1.60 H new ATOM 0 HZ1 LYS A 57 -1.455 -18.443 13.259 1.00 2.23 H new ATOM 0 HZ2 LYS A 57 -1.165 -17.565 11.835 1.00 2.23 H new ATOM 0 HZ3 LYS A 57 -0.009 -17.572 13.080 1.00 2.23 H new ATOM 886 N ASP A 58 -3.038 -9.815 13.974 1.00 0.97 N ATOM 887 CA ASP A 58 -2.343 -8.543 13.606 1.00 0.93 C ATOM 888 C ASP A 58 -2.233 -8.402 12.083 1.00 0.79 C ATOM 889 O ASP A 58 -1.509 -7.561 11.587 1.00 0.77 O ATOM 890 CB ASP A 58 -0.939 -8.539 14.216 1.00 1.04 C ATOM 891 CG ASP A 58 -0.264 -7.196 13.930 1.00 1.04 C ATOM 892 OD1 ASP A 58 -0.702 -6.204 14.487 1.00 1.35 O ATOM 893 OD2 ASP A 58 0.680 -7.184 13.156 1.00 1.60 O ATOM 0 H ASP A 58 -3.844 -9.701 14.588 1.00 0.97 H new ATOM 0 HA ASP A 58 -2.924 -7.705 13.992 1.00 0.93 H new ATOM 0 HB2 ASP A 58 -0.997 -8.707 15.291 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -0.347 -9.353 13.798 1.00 1.04 H new ATOM 898 N ARG A 59 -2.955 -9.201 11.337 1.00 0.71 N ATOM 899 CA ARG A 59 -2.912 -9.108 9.841 1.00 0.59 C ATOM 900 C ARG A 59 -4.254 -8.582 9.338 1.00 0.48 C ATOM 901 O ARG A 59 -5.221 -8.537 10.071 1.00 0.53 O ATOM 902 CB ARG A 59 -2.661 -10.493 9.248 1.00 0.63 C ATOM 903 CG ARG A 59 -1.227 -10.917 9.550 1.00 0.76 C ATOM 904 CD ARG A 59 -1.076 -12.409 9.269 1.00 0.83 C ATOM 905 NE ARG A 59 0.310 -12.843 9.600 1.00 0.99 N ATOM 906 CZ ARG A 59 0.586 -14.113 9.721 1.00 1.53 C ATOM 907 NH1 ARG A 59 -0.352 -15.003 9.547 1.00 2.31 N ATOM 908 NH2 ARG A 59 1.800 -14.492 10.013 1.00 1.65 N ATOM 0 H ARG A 59 -3.579 -9.921 11.702 1.00 0.71 H new ATOM 0 HA ARG A 59 -2.110 -8.434 9.539 1.00 0.59 H new ATOM 0 HB2 ARG A 59 -3.362 -11.214 9.668 1.00 0.63 H new ATOM 0 HB3 ARG A 59 -2.829 -10.476 8.171 1.00 0.63 H new ATOM 0 HG2 ARG A 59 -0.529 -10.347 8.937 1.00 0.76 H new ATOM 0 HG3 ARG A 59 -0.984 -10.704 10.591 1.00 0.76 H new ATOM 0 HD2 ARG A 59 -1.796 -12.975 9.860 1.00 0.83 H new ATOM 0 HD3 ARG A 59 -1.292 -12.615 8.221 1.00 0.83 H new ATOM 0 HE ARG A 59 1.044 -12.147 9.732 1.00 0.99 H new ATOM 0 HH11 ARG A 59 -1.300 -14.706 9.317 1.00 2.31 H new ATOM 0 HH12 ARG A 59 -0.137 -15.996 9.641 1.00 2.31 H new ATOM 0 HH21 ARG A 59 2.533 -13.796 10.147 1.00 1.65 H new ATOM 0 HH22 ARG A 59 2.016 -15.484 10.108 1.00 1.65 H new ATOM 922 N HIS A 60 -4.318 -8.182 8.091 1.00 0.38 N ATOM 923 CA HIS A 60 -5.599 -7.650 7.521 1.00 0.29 C ATOM 924 C HIS A 60 -6.002 -8.489 6.306 1.00 0.26 C ATOM 925 O HIS A 60 -5.170 -9.047 5.618 1.00 0.28 O ATOM 926 CB HIS A 60 -5.399 -6.194 7.101 1.00 0.22 C ATOM 927 CG HIS A 60 -5.149 -5.360 8.328 1.00 0.31 C ATOM 928 ND1 HIS A 60 -3.871 -5.103 8.800 1.00 0.39 N ATOM 929 CD2 HIS A 60 -6.003 -4.722 9.193 1.00 0.44 C ATOM 930 CE1 HIS A 60 -3.991 -4.342 9.903 1.00 0.47 C ATOM 931 NE2 HIS A 60 -5.269 -4.080 10.187 1.00 0.50 N ATOM 0 H HIS A 60 -3.534 -8.201 7.439 1.00 0.38 H new ATOM 0 HA HIS A 60 -6.387 -7.704 8.272 1.00 0.29 H new ATOM 0 HB2 HIS A 60 -4.558 -6.113 6.413 1.00 0.22 H new ATOM 0 HB3 HIS A 60 -6.280 -5.830 6.572 1.00 0.22 H new ATOM 0 HD2 HIS A 60 -7.080 -4.719 9.115 1.00 0.44 H new ATOM 0 HE1 HIS A 60 -3.155 -3.986 10.487 1.00 0.47 H new ATOM 0 HE2 HIS A 60 -5.630 -3.528 10.965 1.00 0.50 H new ATOM 939 N TRP A 61 -7.277 -8.590 6.044 1.00 0.28 N ATOM 940 CA TRP A 61 -7.745 -9.402 4.884 1.00 0.32 C ATOM 941 C TRP A 61 -9.157 -8.954 4.492 1.00 0.38 C ATOM 942 O TRP A 61 -9.956 -8.596 5.333 1.00 0.42 O ATOM 943 CB TRP A 61 -7.803 -10.892 5.300 1.00 0.40 C ATOM 944 CG TRP A 61 -6.539 -11.606 4.934 1.00 0.42 C ATOM 945 CD1 TRP A 61 -6.067 -11.760 3.676 1.00 0.45 C ATOM 946 CD2 TRP A 61 -5.592 -12.280 5.812 1.00 0.46 C ATOM 947 NE1 TRP A 61 -4.895 -12.493 3.726 1.00 0.52 N ATOM 948 CE2 TRP A 61 -4.560 -12.834 5.021 1.00 0.52 C ATOM 949 CE3 TRP A 61 -5.532 -12.462 7.206 1.00 0.50 C ATOM 950 CZ2 TRP A 61 -3.505 -13.547 5.591 1.00 0.60 C ATOM 951 CZ3 TRP A 61 -4.470 -13.177 7.783 1.00 0.58 C ATOM 952 CH2 TRP A 61 -3.459 -13.719 6.976 1.00 0.62 C ATOM 0 H TRP A 61 -8.017 -8.144 6.585 1.00 0.28 H new ATOM 0 HA TRP A 61 -7.061 -9.269 4.046 1.00 0.32 H new ATOM 0 HB2 TRP A 61 -7.967 -10.966 6.375 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -8.651 -11.375 4.814 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -6.529 -11.374 2.779 1.00 0.45 H new ATOM 0 HE1 TRP A 61 -4.345 -12.750 2.906 1.00 0.52 H new ATOM 0 HE3 TRP A 61 -6.307 -12.050 7.835 1.00 0.50 H new ATOM 0 HZ2 TRP A 61 -2.729 -13.963 4.965 1.00 0.60 H new ATOM 0 HZ3 TRP A 61 -4.432 -13.310 8.854 1.00 0.58 H new ATOM 0 HH2 TRP A 61 -2.645 -14.269 7.425 1.00 0.62 H new ATOM 963 N HIS A 62 -9.493 -9.025 3.234 1.00 0.42 N ATOM 964 CA HIS A 62 -10.878 -8.664 2.841 1.00 0.51 C ATOM 965 C HIS A 62 -11.764 -9.806 3.338 1.00 0.59 C ATOM 966 O HIS A 62 -11.493 -10.956 3.060 1.00 0.62 O ATOM 967 CB HIS A 62 -11.006 -8.573 1.316 1.00 0.58 C ATOM 968 CG HIS A 62 -10.382 -7.306 0.806 1.00 0.54 C ATOM 969 ND1 HIS A 62 -9.264 -7.303 -0.021 1.00 0.53 N ATOM 970 CD2 HIS A 62 -10.724 -5.990 0.979 1.00 0.55 C ATOM 971 CE1 HIS A 62 -8.981 -6.019 -0.308 1.00 0.53 C ATOM 972 NE2 HIS A 62 -9.839 -5.179 0.275 1.00 0.53 N ATOM 0 H HIS A 62 -8.877 -9.313 2.473 1.00 0.42 H new ATOM 0 HA HIS A 62 -11.158 -7.698 3.261 1.00 0.51 H new ATOM 0 HB2 HIS A 62 -10.523 -9.434 0.853 1.00 0.58 H new ATOM 0 HB3 HIS A 62 -12.058 -8.606 1.032 1.00 0.58 H new ATOM 0 HD2 HIS A 62 -11.554 -5.636 1.572 1.00 0.55 H new ATOM 0 HE1 HIS A 62 -8.159 -5.706 -0.934 1.00 0.53 H new ATOM 0 HE2 HIS A 62 -9.845 -4.161 0.217 1.00 0.53 H new ATOM 980 N GLU A 63 -12.795 -9.521 4.084 1.00 0.65 N ATOM 981 CA GLU A 63 -13.670 -10.619 4.604 1.00 0.74 C ATOM 982 C GLU A 63 -13.916 -11.669 3.503 1.00 0.81 C ATOM 983 O GLU A 63 -14.213 -12.814 3.780 1.00 0.86 O ATOM 984 CB GLU A 63 -15.007 -10.016 5.066 1.00 0.85 C ATOM 985 CG GLU A 63 -15.650 -10.915 6.127 1.00 1.02 C ATOM 986 CD GLU A 63 -17.026 -10.362 6.500 1.00 1.18 C ATOM 987 OE1 GLU A 63 -17.987 -10.723 5.840 1.00 1.60 O ATOM 988 OE2 GLU A 63 -17.097 -9.586 7.439 1.00 1.72 O ATOM 0 H GLU A 63 -13.072 -8.578 4.358 1.00 0.65 H new ATOM 0 HA GLU A 63 -13.179 -11.109 5.445 1.00 0.74 H new ATOM 0 HB2 GLU A 63 -14.844 -9.018 5.474 1.00 0.85 H new ATOM 0 HB3 GLU A 63 -15.679 -9.906 4.215 1.00 0.85 H new ATOM 0 HG2 GLU A 63 -15.746 -11.932 5.747 1.00 1.02 H new ATOM 0 HG3 GLU A 63 -15.014 -10.964 7.011 1.00 1.02 H new ATOM 995 N ALA A 64 -13.796 -11.281 2.258 1.00 0.82 N ATOM 996 CA ALA A 64 -14.024 -12.245 1.134 1.00 0.90 C ATOM 997 C ALA A 64 -12.711 -12.933 0.714 1.00 0.86 C ATOM 998 O ALA A 64 -12.727 -13.985 0.107 1.00 0.93 O ATOM 999 CB ALA A 64 -14.596 -11.487 -0.066 1.00 0.97 C ATOM 0 H ALA A 64 -13.549 -10.334 1.969 1.00 0.82 H new ATOM 0 HA ALA A 64 -14.722 -13.011 1.473 1.00 0.90 H new ATOM 0 HB1 ALA A 64 -14.765 -12.182 -0.889 1.00 0.97 H new ATOM 0 HB2 ALA A 64 -15.540 -11.021 0.215 1.00 0.97 H new ATOM 0 HB3 ALA A 64 -13.891 -10.718 -0.380 1.00 0.97 H new ATOM 1005 N CYS A 65 -11.579 -12.345 1.006 1.00 0.76 N ATOM 1006 CA CYS A 65 -10.280 -12.971 0.590 1.00 0.74 C ATOM 1007 C CYS A 65 -9.890 -14.091 1.553 1.00 0.74 C ATOM 1008 O CYS A 65 -9.239 -15.046 1.179 1.00 0.79 O ATOM 1009 CB CYS A 65 -9.181 -11.909 0.582 1.00 0.65 C ATOM 1010 SG CYS A 65 -9.327 -10.916 -0.922 1.00 0.70 S ATOM 0 H CYS A 65 -11.494 -11.463 1.512 1.00 0.76 H new ATOM 0 HA CYS A 65 -10.400 -13.390 -0.409 1.00 0.74 H new ATOM 0 HB2 CYS A 65 -9.267 -11.272 1.463 1.00 0.65 H new ATOM 0 HB3 CYS A 65 -8.200 -12.383 0.626 1.00 0.65 H new ATOM 1015 N PHE A 66 -10.270 -13.978 2.787 1.00 0.71 N ATOM 1016 CA PHE A 66 -9.910 -15.029 3.773 1.00 0.73 C ATOM 1017 C PHE A 66 -10.745 -16.282 3.492 1.00 0.84 C ATOM 1018 O PHE A 66 -11.916 -16.342 3.810 1.00 0.89 O ATOM 1019 CB PHE A 66 -10.210 -14.481 5.174 1.00 0.69 C ATOM 1020 CG PHE A 66 -9.308 -15.123 6.207 1.00 0.69 C ATOM 1021 CD1 PHE A 66 -9.334 -16.506 6.393 1.00 0.78 C ATOM 1022 CD2 PHE A 66 -8.445 -14.331 6.974 1.00 0.63 C ATOM 1023 CE1 PHE A 66 -8.503 -17.102 7.343 1.00 0.81 C ATOM 1024 CE2 PHE A 66 -7.609 -14.927 7.925 1.00 0.67 C ATOM 1025 CZ PHE A 66 -7.638 -16.313 8.109 1.00 0.76 C ATOM 0 H PHE A 66 -10.816 -13.201 3.159 1.00 0.71 H new ATOM 0 HA PHE A 66 -8.855 -15.294 3.702 1.00 0.73 H new ATOM 0 HB2 PHE A 66 -10.070 -13.400 5.184 1.00 0.69 H new ATOM 0 HB3 PHE A 66 -11.253 -14.670 5.428 1.00 0.69 H new ATOM 0 HD1 PHE A 66 -9.999 -17.117 5.800 1.00 0.78 H new ATOM 0 HD2 PHE A 66 -8.424 -13.261 6.832 1.00 0.63 H new ATOM 0 HE1 PHE A 66 -8.528 -18.172 7.487 1.00 0.81 H new ATOM 0 HE2 PHE A 66 -6.942 -14.317 8.516 1.00 0.67 H new ATOM 0 HZ PHE A 66 -6.993 -16.774 8.842 1.00 0.76 H new ATOM 1035 N HIS A 67 -10.155 -17.285 2.887 1.00 0.91 N ATOM 1036 CA HIS A 67 -10.928 -18.526 2.581 1.00 1.02 C ATOM 1037 C HIS A 67 -10.003 -19.751 2.520 1.00 1.09 C ATOM 1038 O HIS A 67 -8.796 -19.637 2.593 1.00 1.06 O ATOM 1039 CB HIS A 67 -11.633 -18.355 1.233 1.00 1.08 C ATOM 1040 CG HIS A 67 -10.661 -17.805 0.226 1.00 1.06 C ATOM 1041 ND1 HIS A 67 -9.302 -17.716 0.483 1.00 1.39 N ATOM 1042 CD2 HIS A 67 -10.836 -17.312 -1.043 1.00 1.35 C ATOM 1043 CE1 HIS A 67 -8.717 -17.187 -0.607 1.00 1.22 C ATOM 1044 NE2 HIS A 67 -9.607 -16.922 -1.567 1.00 1.15 N ATOM 0 H HIS A 67 -9.178 -17.297 2.594 1.00 0.91 H new ATOM 0 HA HIS A 67 -11.658 -18.687 3.374 1.00 1.02 H new ATOM 0 HB2 HIS A 67 -12.024 -19.313 0.891 1.00 1.08 H new ATOM 0 HB3 HIS A 67 -12.484 -17.682 1.338 1.00 1.08 H new ATOM 0 HD2 HIS A 67 -11.783 -17.238 -1.557 1.00 1.35 H new ATOM 0 HE1 HIS A 67 -7.657 -17.000 -0.695 1.00 1.22 H new ATOM 0 HE2 HIS A 67 -9.425 -16.520 -2.487 1.00 1.15 H new ATOM 1052 N CYS A 68 -10.573 -20.927 2.375 1.00 1.19 N ATOM 1053 CA CYS A 68 -9.743 -22.169 2.298 1.00 1.27 C ATOM 1054 C CYS A 68 -9.245 -22.343 0.862 1.00 1.33 C ATOM 1055 O CYS A 68 -9.932 -22.025 -0.083 1.00 1.35 O ATOM 1056 CB CYS A 68 -10.590 -23.389 2.691 1.00 1.36 C ATOM 1057 SG CYS A 68 -9.753 -24.924 2.201 1.00 1.48 S ATOM 0 H CYS A 68 -11.580 -21.077 2.307 1.00 1.19 H new ATOM 0 HA CYS A 68 -8.898 -22.085 2.981 1.00 1.27 H new ATOM 0 HB2 CYS A 68 -10.762 -23.389 3.767 1.00 1.36 H new ATOM 0 HB3 CYS A 68 -11.567 -23.331 2.212 1.00 1.36 H new ATOM 1062 N SER A 69 -8.055 -22.833 0.684 1.00 1.37 N ATOM 1063 CA SER A 69 -7.528 -23.006 -0.698 1.00 1.44 C ATOM 1064 C SER A 69 -8.242 -24.170 -1.403 1.00 1.56 C ATOM 1065 O SER A 69 -8.273 -24.240 -2.616 1.00 1.63 O ATOM 1066 CB SER A 69 -6.028 -23.297 -0.627 1.00 1.48 C ATOM 1067 OG SER A 69 -5.444 -23.068 -1.903 1.00 1.53 O ATOM 0 H SER A 69 -7.424 -23.121 1.431 1.00 1.37 H new ATOM 0 HA SER A 69 -7.706 -22.092 -1.265 1.00 1.44 H new ATOM 0 HB2 SER A 69 -5.557 -22.659 0.121 1.00 1.48 H new ATOM 0 HB3 SER A 69 -5.860 -24.329 -0.317 1.00 1.48 H new ATOM 0 HG SER A 69 -4.722 -22.411 -1.819 1.00 1.53 H new ATOM 1073 N GLN A 70 -8.793 -25.097 -0.659 1.00 1.59 N ATOM 1074 CA GLN A 70 -9.479 -26.274 -1.294 1.00 1.71 C ATOM 1075 C GLN A 70 -10.996 -26.073 -1.327 1.00 1.71 C ATOM 1076 O GLN A 70 -11.637 -26.282 -2.337 1.00 1.78 O ATOM 1077 CB GLN A 70 -9.175 -27.537 -0.479 1.00 1.77 C ATOM 1078 CG GLN A 70 -7.668 -27.654 -0.231 1.00 1.77 C ATOM 1079 CD GLN A 70 -6.972 -28.166 -1.487 1.00 1.87 C ATOM 1080 OE1 GLN A 70 -7.284 -29.230 -1.983 1.00 1.98 O ATOM 1081 NE2 GLN A 70 -6.033 -27.442 -2.025 1.00 1.85 N ATOM 0 H GLN A 70 -8.799 -25.093 0.361 1.00 1.59 H new ATOM 0 HA GLN A 70 -9.111 -26.373 -2.315 1.00 1.71 H new ATOM 0 HB2 GLN A 70 -9.706 -27.502 0.472 1.00 1.77 H new ATOM 0 HB3 GLN A 70 -9.533 -28.418 -1.012 1.00 1.77 H new ATOM 0 HG2 GLN A 70 -7.261 -26.683 0.050 1.00 1.77 H new ATOM 0 HG3 GLN A 70 -7.479 -28.332 0.601 1.00 1.77 H new ATOM 0 HE21 GLN A 70 -5.774 -26.549 -1.605 1.00 1.85 H new ATOM 0 HE22 GLN A 70 -5.557 -27.768 -2.866 1.00 1.85 H new ATOM 1090 N CYS A 71 -11.577 -25.697 -0.222 1.00 1.65 N ATOM 1091 CA CYS A 71 -13.065 -25.513 -0.178 1.00 1.66 C ATOM 1092 C CYS A 71 -13.441 -24.075 -0.536 1.00 1.59 C ATOM 1093 O CYS A 71 -14.603 -23.743 -0.659 1.00 1.61 O ATOM 1094 CB CYS A 71 -13.579 -25.829 1.231 1.00 1.65 C ATOM 1095 SG CYS A 71 -12.704 -27.265 1.886 1.00 1.71 S ATOM 0 H CYS A 71 -11.091 -25.508 0.655 1.00 1.65 H new ATOM 0 HA CYS A 71 -13.519 -26.189 -0.903 1.00 1.66 H new ATOM 0 HB2 CYS A 71 -13.429 -24.970 1.885 1.00 1.65 H new ATOM 0 HB3 CYS A 71 -14.651 -26.025 1.203 1.00 1.65 H new ATOM 1100 N ARG A 72 -12.478 -23.218 -0.696 1.00 1.52 N ATOM 1101 CA ARG A 72 -12.793 -21.806 -1.033 1.00 1.45 C ATOM 1102 C ARG A 72 -13.868 -21.279 -0.086 1.00 1.42 C ATOM 1103 O ARG A 72 -14.477 -20.256 -0.327 1.00 1.40 O ATOM 1104 CB ARG A 72 -13.275 -21.723 -2.485 1.00 1.55 C ATOM 1105 CG ARG A 72 -12.487 -22.717 -3.339 1.00 1.99 C ATOM 1106 CD ARG A 72 -12.846 -22.522 -4.813 1.00 2.40 C ATOM 1107 NE ARG A 72 -12.225 -23.608 -5.623 1.00 3.03 N ATOM 1108 CZ ARG A 72 -12.629 -23.823 -6.845 1.00 3.57 C ATOM 1109 NH1 ARG A 72 -13.578 -23.089 -7.358 1.00 3.70 N ATOM 1110 NH2 ARG A 72 -12.084 -24.774 -7.554 1.00 4.39 N ATOM 0 H ARG A 72 -11.485 -23.433 -0.608 1.00 1.52 H new ATOM 0 HA ARG A 72 -11.898 -21.194 -0.922 1.00 1.45 H new ATOM 0 HB2 ARG A 72 -14.341 -21.945 -2.539 1.00 1.55 H new ATOM 0 HB3 ARG A 72 -13.140 -20.711 -2.867 1.00 1.55 H new ATOM 0 HG2 ARG A 72 -11.417 -22.570 -3.192 1.00 1.99 H new ATOM 0 HG3 ARG A 72 -12.714 -23.737 -3.031 1.00 1.99 H new ATOM 0 HD2 ARG A 72 -13.929 -22.533 -4.939 1.00 2.40 H new ATOM 0 HD3 ARG A 72 -12.495 -21.550 -5.158 1.00 2.40 H new ATOM 0 HE ARG A 72 -11.484 -24.183 -5.222 1.00 3.03 H new ATOM 0 HH11 ARG A 72 -14.005 -22.347 -6.804 1.00 3.70 H new ATOM 0 HH12 ARG A 72 -13.893 -23.258 -8.313 1.00 3.70 H new ATOM 0 HH21 ARG A 72 -11.343 -25.348 -7.153 1.00 4.39 H new ATOM 0 HH22 ARG A 72 -12.399 -24.943 -8.509 1.00 4.39 H new ATOM 1124 N ASN A 73 -14.079 -21.950 1.010 1.00 1.43 N ATOM 1125 CA ASN A 73 -15.082 -21.463 1.988 1.00 1.42 C ATOM 1126 C ASN A 73 -14.524 -20.192 2.604 1.00 1.29 C ATOM 1127 O ASN A 73 -13.333 -20.016 2.668 1.00 1.21 O ATOM 1128 CB ASN A 73 -15.283 -22.512 3.085 1.00 1.47 C ATOM 1129 CG ASN A 73 -16.334 -23.530 2.641 1.00 1.62 C ATOM 1130 OD1 ASN A 73 -16.102 -24.309 1.739 1.00 1.80 O ATOM 1131 ND2 ASN A 73 -17.492 -23.549 3.239 1.00 1.73 N ATOM 0 H ASN A 73 -13.600 -22.813 1.269 1.00 1.43 H new ATOM 0 HA ASN A 73 -16.040 -21.278 1.502 1.00 1.42 H new ATOM 0 HB2 ASN A 73 -14.340 -23.017 3.295 1.00 1.47 H new ATOM 0 HB3 ASN A 73 -15.599 -22.029 4.010 1.00 1.47 H new ATOM 0 HD21 ASN A 73 -18.205 -24.219 2.949 1.00 1.73 H new ATOM 0 HD22 ASN A 73 -17.686 -22.894 3.997 1.00 1.73 H new ATOM 1138 N SER A 74 -15.356 -19.309 3.061 1.00 1.29 N ATOM 1139 CA SER A 74 -14.828 -18.054 3.671 1.00 1.17 C ATOM 1140 C SER A 74 -14.551 -18.292 5.155 1.00 1.14 C ATOM 1141 O SER A 74 -15.447 -18.240 5.974 1.00 1.19 O ATOM 1142 CB SER A 74 -15.866 -16.941 3.521 1.00 1.19 C ATOM 1143 OG SER A 74 -15.951 -16.561 2.153 1.00 1.23 O ATOM 0 H SER A 74 -16.372 -19.395 3.042 1.00 1.29 H new ATOM 0 HA SER A 74 -13.906 -17.762 3.168 1.00 1.17 H new ATOM 0 HB2 SER A 74 -16.838 -17.284 3.877 1.00 1.19 H new ATOM 0 HB3 SER A 74 -15.587 -16.083 4.132 1.00 1.19 H new ATOM 0 HG SER A 74 -16.617 -15.849 2.052 1.00 1.23 H new ATOM 1149 N LEU A 75 -13.319 -18.550 5.519 1.00 1.08 N ATOM 1150 CA LEU A 75 -13.019 -18.782 6.955 1.00 1.08 C ATOM 1151 C LEU A 75 -12.876 -17.428 7.642 1.00 1.00 C ATOM 1152 O LEU A 75 -11.956 -16.681 7.375 1.00 0.91 O ATOM 1153 CB LEU A 75 -11.697 -19.550 7.117 1.00 1.06 C ATOM 1154 CG LEU A 75 -11.575 -20.666 6.062 1.00 1.14 C ATOM 1155 CD1 LEU A 75 -10.107 -21.050 5.876 1.00 1.12 C ATOM 1156 CD2 LEU A 75 -12.354 -21.891 6.529 1.00 1.25 C ATOM 0 H LEU A 75 -12.520 -18.608 4.888 1.00 1.08 H new ATOM 0 HA LEU A 75 -13.826 -19.367 7.396 1.00 1.08 H new ATOM 0 HB2 LEU A 75 -10.858 -18.861 7.022 1.00 1.06 H new ATOM 0 HB3 LEU A 75 -11.643 -19.982 8.116 1.00 1.06 H new ATOM 0 HG LEU A 75 -11.978 -20.307 5.115 1.00 1.14 H new ATOM 0 HD11 LEU A 75 -10.029 -21.840 5.129 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -9.542 -20.179 5.544 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -9.701 -21.406 6.823 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -12.269 -22.682 5.784 1.00 1.25 H new ATOM 0 HD22 LEU A 75 -11.947 -22.241 7.478 1.00 1.25 H new ATOM 0 HD23 LEU A 75 -13.403 -21.627 6.660 1.00 1.25 H new ATOM 1168 N VAL A 76 -13.758 -17.121 8.542 1.00 1.05 N ATOM 1169 CA VAL A 76 -13.670 -15.835 9.281 1.00 1.01 C ATOM 1170 C VAL A 76 -14.050 -16.122 10.728 1.00 1.10 C ATOM 1171 O VAL A 76 -15.052 -16.756 10.992 1.00 1.20 O ATOM 1172 CB VAL A 76 -14.621 -14.818 8.655 1.00 1.01 C ATOM 1173 CG1 VAL A 76 -14.712 -13.582 9.550 1.00 1.01 C ATOM 1174 CG2 VAL A 76 -14.078 -14.412 7.283 1.00 0.93 C ATOM 0 H VAL A 76 -14.547 -17.712 8.802 1.00 1.05 H new ATOM 0 HA VAL A 76 -12.665 -15.417 9.235 1.00 1.01 H new ATOM 0 HB VAL A 76 -15.612 -15.258 8.548 1.00 1.01 H new ATOM 0 HG11 VAL A 76 -15.391 -12.857 9.101 1.00 1.01 H new ATOM 0 HG12 VAL A 76 -15.086 -13.871 10.532 1.00 1.01 H new ATOM 0 HG13 VAL A 76 -13.723 -13.136 9.655 1.00 1.01 H new ATOM 0 HG21 VAL A 76 -14.750 -13.685 6.826 1.00 0.93 H new ATOM 0 HG22 VAL A 76 -13.089 -13.969 7.400 1.00 0.93 H new ATOM 0 HG23 VAL A 76 -14.008 -15.293 6.644 1.00 0.93 H new ATOM 1184 N ASP A 77 -13.255 -15.704 11.670 1.00 1.07 N ATOM 1185 CA ASP A 77 -13.586 -16.006 13.089 1.00 1.18 C ATOM 1186 C ASP A 77 -13.827 -17.517 13.216 1.00 1.26 C ATOM 1187 O ASP A 77 -14.333 -18.000 14.210 1.00 1.36 O ATOM 1188 CB ASP A 77 -14.842 -15.232 13.506 1.00 1.25 C ATOM 1189 CG ASP A 77 -15.271 -15.664 14.910 1.00 1.52 C ATOM 1190 OD1 ASP A 77 -14.406 -15.782 15.762 1.00 2.23 O ATOM 1191 OD2 ASP A 77 -16.457 -15.870 15.108 1.00 1.86 O ATOM 0 H ASP A 77 -12.398 -15.171 11.522 1.00 1.07 H new ATOM 0 HA ASP A 77 -12.766 -15.705 13.741 1.00 1.18 H new ATOM 0 HB2 ASP A 77 -14.643 -14.160 13.490 1.00 1.25 H new ATOM 0 HB3 ASP A 77 -15.648 -15.417 12.796 1.00 1.25 H new ATOM 1196 N LYS A 78 -13.450 -18.263 12.201 1.00 1.22 N ATOM 1197 CA LYS A 78 -13.625 -19.749 12.213 1.00 1.30 C ATOM 1198 C LYS A 78 -12.221 -20.379 12.268 1.00 1.28 C ATOM 1199 O LYS A 78 -11.277 -19.747 11.867 1.00 1.19 O ATOM 1200 CB LYS A 78 -14.341 -20.170 10.913 1.00 1.31 C ATOM 1201 CG LYS A 78 -15.860 -20.166 11.124 1.00 1.41 C ATOM 1202 CD LYS A 78 -16.567 -20.266 9.769 1.00 1.46 C ATOM 1203 CE LYS A 78 -16.243 -21.610 9.111 1.00 1.77 C ATOM 1204 NZ LYS A 78 -17.249 -21.898 8.050 1.00 2.34 N ATOM 0 H LYS A 78 -13.021 -17.895 11.352 1.00 1.22 H new ATOM 0 HA LYS A 78 -14.217 -20.075 13.068 1.00 1.30 H new ATOM 0 HB2 LYS A 78 -14.076 -19.488 10.105 1.00 1.31 H new ATOM 0 HB3 LYS A 78 -14.010 -21.164 10.612 1.00 1.31 H new ATOM 0 HG2 LYS A 78 -16.151 -21.002 11.760 1.00 1.41 H new ATOM 0 HG3 LYS A 78 -16.164 -19.254 11.638 1.00 1.41 H new ATOM 0 HD2 LYS A 78 -17.644 -20.167 9.903 1.00 1.46 H new ATOM 0 HD3 LYS A 78 -16.249 -19.448 9.122 1.00 1.46 H new ATOM 0 HE2 LYS A 78 -15.242 -21.585 8.681 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -16.249 -22.404 9.858 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -17.030 -22.811 7.602 1.00 2.34 H new ATOM 0 HZ2 LYS A 78 -18.198 -21.939 8.473 1.00 2.34 H new ATOM 0 HZ3 LYS A 78 -17.222 -21.145 7.333 1.00 2.34 H new ATOM 1218 N PRO A 79 -12.101 -21.591 12.763 1.00 1.36 N ATOM 1219 CA PRO A 79 -10.781 -22.249 12.844 1.00 1.37 C ATOM 1220 C PRO A 79 -10.175 -22.415 11.436 1.00 1.31 C ATOM 1221 O PRO A 79 -10.841 -22.826 10.508 1.00 1.33 O ATOM 1222 CB PRO A 79 -11.064 -23.623 13.494 1.00 1.49 C ATOM 1223 CG PRO A 79 -12.608 -23.771 13.607 1.00 1.55 C ATOM 1224 CD PRO A 79 -13.229 -22.398 13.275 1.00 1.47 C ATOM 0 HA PRO A 79 -10.061 -21.669 13.421 1.00 1.37 H new ATOM 0 HB2 PRO A 79 -10.644 -24.428 12.891 1.00 1.49 H new ATOM 0 HB3 PRO A 79 -10.599 -23.686 14.478 1.00 1.49 H new ATOM 0 HG2 PRO A 79 -12.972 -24.533 12.918 1.00 1.55 H new ATOM 0 HG3 PRO A 79 -12.891 -24.087 14.611 1.00 1.55 H new ATOM 0 HD2 PRO A 79 -14.020 -22.490 12.531 1.00 1.47 H new ATOM 0 HD3 PRO A 79 -13.675 -21.941 14.158 1.00 1.47 H new ATOM 1232 N PHE A 80 -8.908 -22.117 11.285 1.00 1.27 N ATOM 1233 CA PHE A 80 -8.243 -22.278 9.952 1.00 1.23 C ATOM 1234 C PHE A 80 -6.762 -22.570 10.158 1.00 1.26 C ATOM 1235 O PHE A 80 -6.154 -22.111 11.104 1.00 1.26 O ATOM 1236 CB PHE A 80 -8.373 -20.998 9.112 1.00 1.12 C ATOM 1237 CG PHE A 80 -7.786 -19.817 9.859 1.00 1.04 C ATOM 1238 CD1 PHE A 80 -6.396 -19.632 9.916 1.00 1.03 C ATOM 1239 CD2 PHE A 80 -8.632 -18.911 10.504 1.00 1.01 C ATOM 1240 CE1 PHE A 80 -5.863 -18.544 10.621 1.00 0.97 C ATOM 1241 CE2 PHE A 80 -8.099 -17.822 11.205 1.00 0.95 C ATOM 1242 CZ PHE A 80 -6.714 -17.641 11.266 1.00 0.93 C ATOM 0 H PHE A 80 -8.303 -21.768 12.029 1.00 1.27 H new ATOM 0 HA PHE A 80 -8.730 -23.100 9.427 1.00 1.23 H new ATOM 0 HB2 PHE A 80 -7.859 -21.126 8.159 1.00 1.12 H new ATOM 0 HB3 PHE A 80 -9.422 -20.809 8.885 1.00 1.12 H new ATOM 0 HD1 PHE A 80 -5.737 -20.327 9.417 1.00 1.03 H new ATOM 0 HD2 PHE A 80 -9.702 -19.051 10.462 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -4.793 -18.403 10.666 1.00 0.97 H new ATOM 0 HE2 PHE A 80 -8.758 -17.122 11.698 1.00 0.95 H new ATOM 0 HZ PHE A 80 -6.302 -16.805 11.811 1.00 0.93 H new ATOM 1252 N ALA A 81 -6.167 -23.308 9.262 1.00 1.30 N ATOM 1253 CA ALA A 81 -4.714 -23.606 9.383 1.00 1.35 C ATOM 1254 C ALA A 81 -3.952 -22.576 8.552 1.00 1.28 C ATOM 1255 O ALA A 81 -4.086 -22.516 7.346 1.00 1.26 O ATOM 1256 CB ALA A 81 -4.426 -25.014 8.855 1.00 1.45 C ATOM 0 H ALA A 81 -6.627 -23.718 8.449 1.00 1.30 H new ATOM 0 HA ALA A 81 -4.403 -23.558 10.427 1.00 1.35 H new ATOM 0 HB1 ALA A 81 -3.361 -25.226 8.946 1.00 1.45 H new ATOM 0 HB2 ALA A 81 -4.992 -25.743 9.435 1.00 1.45 H new ATOM 0 HB3 ALA A 81 -4.720 -25.077 7.807 1.00 1.45 H new ATOM 1262 N ALA A 82 -3.170 -21.755 9.186 1.00 1.25 N ATOM 1263 CA ALA A 82 -2.419 -20.715 8.431 1.00 1.20 C ATOM 1264 C ALA A 82 -1.177 -21.337 7.794 1.00 1.29 C ATOM 1265 O ALA A 82 -0.196 -21.617 8.453 1.00 1.37 O ATOM 1266 CB ALA A 82 -1.995 -19.597 9.389 1.00 1.16 C ATOM 0 H ALA A 82 -3.017 -21.757 10.194 1.00 1.25 H new ATOM 0 HA ALA A 82 -3.058 -20.304 7.649 1.00 1.20 H new ATOM 0 HB1 ALA A 82 -1.445 -18.835 8.838 1.00 1.16 H new ATOM 0 HB2 ALA A 82 -2.880 -19.150 9.841 1.00 1.16 H new ATOM 0 HB3 ALA A 82 -1.358 -20.010 10.171 1.00 1.16 H new ATOM 1272 N LYS A 83 -1.215 -21.537 6.505 1.00 1.31 N ATOM 1273 CA LYS A 83 -0.047 -22.120 5.791 1.00 1.42 C ATOM 1274 C LYS A 83 0.835 -20.968 5.311 1.00 1.39 C ATOM 1275 O LYS A 83 0.407 -19.831 5.271 1.00 1.29 O ATOM 1276 CB LYS A 83 -0.531 -22.961 4.605 1.00 1.47 C ATOM 1277 CG LYS A 83 0.659 -23.364 3.725 1.00 1.59 C ATOM 1278 CD LYS A 83 0.282 -24.588 2.887 1.00 1.69 C ATOM 1279 CE LYS A 83 1.425 -24.922 1.927 1.00 1.84 C ATOM 1280 NZ LYS A 83 1.140 -26.218 1.248 1.00 2.44 N ATOM 0 H LYS A 83 -2.015 -21.318 5.911 1.00 1.31 H new ATOM 0 HA LYS A 83 0.524 -22.770 6.454 1.00 1.42 H new ATOM 0 HB2 LYS A 83 -1.044 -23.852 4.966 1.00 1.47 H new ATOM 0 HB3 LYS A 83 -1.253 -22.394 4.017 1.00 1.47 H new ATOM 0 HG2 LYS A 83 0.940 -22.536 3.074 1.00 1.59 H new ATOM 0 HG3 LYS A 83 1.525 -23.589 4.347 1.00 1.59 H new ATOM 0 HD2 LYS A 83 0.079 -25.439 3.538 1.00 1.69 H new ATOM 0 HD3 LYS A 83 -0.632 -24.391 2.326 1.00 1.69 H new ATOM 0 HE2 LYS A 83 1.537 -24.129 1.188 1.00 1.84 H new ATOM 0 HE3 LYS A 83 2.366 -24.984 2.473 1.00 1.84 H new ATOM 0 HZ1 LYS A 83 1.917 -26.446 0.595 1.00 2.44 H new ATOM 0 HZ2 LYS A 83 1.054 -26.971 1.960 1.00 2.44 H new ATOM 0 HZ3 LYS A 83 0.250 -26.142 0.715 1.00 2.44 H new ATOM 1294 N GLU A 84 2.069 -21.247 4.992 1.00 1.50 N ATOM 1295 CA GLU A 84 3.014 -20.171 4.563 1.00 1.51 C ATOM 1296 C GLU A 84 2.311 -19.101 3.715 1.00 1.41 C ATOM 1297 O GLU A 84 2.346 -17.933 4.050 1.00 1.34 O ATOM 1298 CB GLU A 84 4.137 -20.805 3.738 1.00 1.65 C ATOM 1299 CG GLU A 84 5.087 -21.569 4.663 1.00 1.75 C ATOM 1300 CD GLU A 84 6.203 -22.208 3.835 1.00 2.34 C ATOM 1301 OE1 GLU A 84 5.906 -23.117 3.077 1.00 2.86 O ATOM 1302 OE2 GLU A 84 7.336 -21.778 3.973 1.00 2.94 O ATOM 0 H GLU A 84 2.470 -22.185 5.010 1.00 1.50 H new ATOM 0 HA GLU A 84 3.409 -19.686 5.455 1.00 1.51 H new ATOM 0 HB2 GLU A 84 3.717 -21.481 2.993 1.00 1.65 H new ATOM 0 HB3 GLU A 84 4.684 -20.033 3.196 1.00 1.65 H new ATOM 0 HG2 GLU A 84 5.512 -20.892 5.404 1.00 1.75 H new ATOM 0 HG3 GLU A 84 4.540 -22.337 5.209 1.00 1.75 H new ATOM 1309 N ASP A 85 1.694 -19.472 2.620 1.00 1.42 N ATOM 1310 CA ASP A 85 1.014 -18.458 1.750 1.00 1.34 C ATOM 1311 C ASP A 85 -0.463 -18.825 1.553 1.00 1.28 C ATOM 1312 O ASP A 85 -1.166 -18.165 0.813 1.00 1.23 O ATOM 1313 CB ASP A 85 1.722 -18.447 0.385 1.00 1.45 C ATOM 1314 CG ASP A 85 2.940 -17.518 0.434 1.00 1.49 C ATOM 1315 OD1 ASP A 85 2.775 -16.342 0.156 1.00 1.66 O ATOM 1316 OD2 ASP A 85 4.015 -18.000 0.750 1.00 2.00 O ATOM 0 H ASP A 85 1.631 -20.435 2.289 1.00 1.42 H new ATOM 0 HA ASP A 85 1.066 -17.476 2.221 1.00 1.34 H new ATOM 0 HB2 ASP A 85 2.035 -19.457 0.120 1.00 1.45 H new ATOM 0 HB3 ASP A 85 1.031 -18.114 -0.390 1.00 1.45 H new ATOM 1321 N GLN A 86 -0.932 -19.884 2.169 1.00 1.30 N ATOM 1322 CA GLN A 86 -2.362 -20.303 1.968 1.00 1.26 C ATOM 1323 C GLN A 86 -3.090 -20.502 3.299 1.00 1.20 C ATOM 1324 O GLN A 86 -2.502 -20.526 4.361 1.00 1.20 O ATOM 1325 CB GLN A 86 -2.393 -21.630 1.208 1.00 1.39 C ATOM 1326 CG GLN A 86 -1.473 -21.565 -0.011 1.00 1.47 C ATOM 1327 CD GLN A 86 -2.081 -20.639 -1.066 1.00 1.43 C ATOM 1328 OE1 GLN A 86 -3.150 -20.904 -1.579 1.00 1.64 O ATOM 1329 NE2 GLN A 86 -1.441 -19.556 -1.413 1.00 1.70 N ATOM 0 H GLN A 86 -0.392 -20.476 2.800 1.00 1.30 H new ATOM 0 HA GLN A 86 -2.863 -19.512 1.410 1.00 1.26 H new ATOM 0 HB2 GLN A 86 -2.080 -22.441 1.866 1.00 1.39 H new ATOM 0 HB3 GLN A 86 -3.412 -21.852 0.891 1.00 1.39 H new ATOM 0 HG2 GLN A 86 -0.489 -21.201 0.283 1.00 1.47 H new ATOM 0 HG3 GLN A 86 -1.332 -22.563 -0.426 1.00 1.47 H new ATOM 0 HE21 GLN A 86 -0.544 -19.334 -0.982 1.00 1.70 H new ATOM 0 HE22 GLN A 86 -1.838 -18.932 -2.115 1.00 1.70 H new ATOM 1338 N LEU A 87 -4.384 -20.677 3.219 1.00 1.17 N ATOM 1339 CA LEU A 87 -5.219 -20.931 4.426 1.00 1.14 C ATOM 1340 C LEU A 87 -6.052 -22.171 4.127 1.00 1.22 C ATOM 1341 O LEU A 87 -6.585 -22.318 3.046 1.00 1.25 O ATOM 1342 CB LEU A 87 -6.144 -19.735 4.704 1.00 1.02 C ATOM 1343 CG LEU A 87 -5.359 -18.637 5.451 1.00 0.95 C ATOM 1344 CD1 LEU A 87 -5.996 -17.263 5.187 1.00 0.84 C ATOM 1345 CD2 LEU A 87 -5.355 -18.928 6.961 1.00 0.96 C ATOM 0 H LEU A 87 -4.907 -20.653 2.344 1.00 1.17 H new ATOM 0 HA LEU A 87 -4.592 -21.074 5.306 1.00 1.14 H new ATOM 0 HB2 LEU A 87 -6.538 -19.341 3.767 1.00 1.02 H new ATOM 0 HB3 LEU A 87 -6.999 -20.054 5.300 1.00 1.02 H new ATOM 0 HG LEU A 87 -4.332 -18.629 5.087 1.00 0.95 H new ATOM 0 HD11 LEU A 87 -5.435 -16.494 5.718 1.00 0.84 H new ATOM 0 HD12 LEU A 87 -5.977 -17.053 4.118 1.00 0.84 H new ATOM 0 HD13 LEU A 87 -7.028 -17.267 5.538 1.00 0.84 H new ATOM 0 HD21 LEU A 87 -4.799 -18.148 7.480 1.00 0.96 H new ATOM 0 HD22 LEU A 87 -6.380 -18.949 7.330 1.00 0.96 H new ATOM 0 HD23 LEU A 87 -4.883 -19.893 7.144 1.00 0.96 H new ATOM 1357 N LEU A 88 -6.140 -23.082 5.055 1.00 1.28 N ATOM 1358 CA LEU A 88 -6.911 -24.341 4.813 1.00 1.37 C ATOM 1359 C LEU A 88 -7.804 -24.632 6.016 1.00 1.38 C ATOM 1360 O LEU A 88 -7.658 -24.040 7.066 1.00 1.33 O ATOM 1361 CB LEU A 88 -5.907 -25.487 4.630 1.00 1.47 C ATOM 1362 CG LEU A 88 -5.177 -25.343 3.272 1.00 1.51 C ATOM 1363 CD1 LEU A 88 -3.780 -25.966 3.352 1.00 1.59 C ATOM 1364 CD2 LEU A 88 -5.972 -26.047 2.171 1.00 1.57 C ATOM 0 H LEU A 88 -5.710 -23.011 5.977 1.00 1.28 H new ATOM 0 HA LEU A 88 -7.535 -24.239 3.926 1.00 1.37 H new ATOM 0 HB2 LEU A 88 -5.182 -25.479 5.444 1.00 1.47 H new ATOM 0 HB3 LEU A 88 -6.425 -26.445 4.674 1.00 1.47 H new ATOM 0 HG LEU A 88 -5.090 -24.281 3.040 1.00 1.51 H new ATOM 0 HD11 LEU A 88 -3.278 -25.858 2.391 1.00 1.59 H new ATOM 0 HD12 LEU A 88 -3.200 -25.460 4.124 1.00 1.59 H new ATOM 0 HD13 LEU A 88 -3.867 -27.024 3.599 1.00 1.59 H new ATOM 0 HD21 LEU A 88 -5.450 -25.940 1.220 1.00 1.57 H new ATOM 0 HD22 LEU A 88 -6.071 -27.105 2.413 1.00 1.57 H new ATOM 0 HD23 LEU A 88 -6.962 -25.598 2.094 1.00 1.57 H new ATOM 1376 N CYS A 89 -8.720 -25.553 5.879 1.00 1.45 N ATOM 1377 CA CYS A 89 -9.604 -25.892 7.025 1.00 1.47 C ATOM 1378 C CYS A 89 -8.874 -26.919 7.876 1.00 1.55 C ATOM 1379 O CYS A 89 -8.245 -27.818 7.358 1.00 1.61 O ATOM 1380 CB CYS A 89 -10.916 -26.507 6.520 1.00 1.54 C ATOM 1381 SG CYS A 89 -11.593 -25.511 5.172 1.00 1.49 S ATOM 0 H CYS A 89 -8.892 -26.083 5.024 1.00 1.45 H new ATOM 0 HA CYS A 89 -9.837 -24.994 7.597 1.00 1.47 H new ATOM 0 HB2 CYS A 89 -10.740 -27.526 6.176 1.00 1.54 H new ATOM 0 HB3 CYS A 89 -11.636 -26.566 7.336 1.00 1.54 H new ATOM 1386 N THR A 90 -8.936 -26.801 9.174 1.00 1.55 N ATOM 1387 CA THR A 90 -8.225 -27.791 10.035 1.00 1.63 C ATOM 1388 C THR A 90 -8.532 -29.204 9.536 1.00 1.73 C ATOM 1389 O THR A 90 -7.850 -30.155 9.864 1.00 1.80 O ATOM 1390 CB THR A 90 -8.684 -27.641 11.487 1.00 1.64 C ATOM 1391 OG1 THR A 90 -8.377 -28.828 12.204 1.00 1.81 O ATOM 1392 CG2 THR A 90 -10.193 -27.394 11.524 1.00 1.76 C ATOM 0 H THR A 90 -9.443 -26.070 9.673 1.00 1.55 H new ATOM 0 HA THR A 90 -7.151 -27.613 9.985 1.00 1.63 H new ATOM 0 HB THR A 90 -8.170 -26.797 11.946 1.00 1.64 H new ATOM 0 HG1 THR A 90 -8.669 -28.733 13.135 1.00 1.81 H new ATOM 0 HG21 THR A 90 -10.519 -27.287 12.559 1.00 1.76 H new ATOM 0 HG22 THR A 90 -10.426 -26.482 10.974 1.00 1.76 H new ATOM 0 HG23 THR A 90 -10.711 -28.236 11.065 1.00 1.76 H new ATOM 1400 N ASP A 91 -9.537 -29.336 8.716 1.00 1.73 N ATOM 1401 CA ASP A 91 -9.876 -30.673 8.156 1.00 1.84 C ATOM 1402 C ASP A 91 -8.996 -30.909 6.929 1.00 1.86 C ATOM 1403 O ASP A 91 -8.322 -31.916 6.813 1.00 1.94 O ATOM 1404 CB ASP A 91 -11.348 -30.701 7.746 1.00 1.85 C ATOM 1405 CG ASP A 91 -12.228 -30.532 8.986 1.00 1.87 C ATOM 1406 OD1 ASP A 91 -11.683 -30.505 10.077 1.00 2.33 O ATOM 1407 OD2 ASP A 91 -13.433 -30.432 8.823 1.00 1.99 O ATOM 0 H ASP A 91 -10.140 -28.573 8.409 1.00 1.73 H new ATOM 0 HA ASP A 91 -9.705 -31.450 8.901 1.00 1.84 H new ATOM 0 HB2 ASP A 91 -11.552 -29.904 7.031 1.00 1.85 H new ATOM 0 HB3 ASP A 91 -11.580 -31.643 7.248 1.00 1.85 H new ATOM 1412 N CYS A 92 -8.982 -29.971 6.018 1.00 1.78 N ATOM 1413 CA CYS A 92 -8.133 -30.122 4.806 1.00 1.81 C ATOM 1414 C CYS A 92 -6.666 -30.036 5.219 1.00 1.81 C ATOM 1415 O CYS A 92 -5.826 -30.767 4.730 1.00 1.89 O ATOM 1416 CB CYS A 92 -8.452 -29.001 3.805 1.00 1.74 C ATOM 1417 SG CYS A 92 -10.231 -28.689 3.796 1.00 1.73 S ATOM 0 H CYS A 92 -9.523 -29.108 6.064 1.00 1.78 H new ATOM 0 HA CYS A 92 -8.331 -31.085 4.335 1.00 1.81 H new ATOM 0 HB2 CYS A 92 -7.914 -28.093 4.077 1.00 1.74 H new ATOM 0 HB3 CYS A 92 -8.117 -29.284 2.807 1.00 1.74 H new ATOM 1422 N TYR A 93 -6.349 -29.152 6.122 1.00 1.73 N ATOM 1423 CA TYR A 93 -4.940 -29.031 6.562 1.00 1.74 C ATOM 1424 C TYR A 93 -4.478 -30.365 7.128 1.00 1.85 C ATOM 1425 O TYR A 93 -3.445 -30.890 6.761 1.00 1.92 O ATOM 1426 CB TYR A 93 -4.833 -27.971 7.650 1.00 1.65 C ATOM 1427 CG TYR A 93 -3.372 -27.691 7.902 1.00 1.66 C ATOM 1428 CD1 TYR A 93 -2.602 -27.068 6.913 1.00 1.64 C ATOM 1429 CD2 TYR A 93 -2.781 -28.074 9.112 1.00 1.71 C ATOM 1430 CE1 TYR A 93 -1.243 -26.824 7.135 1.00 1.66 C ATOM 1431 CE2 TYR A 93 -1.422 -27.833 9.334 1.00 1.73 C ATOM 1432 CZ TYR A 93 -0.652 -27.207 8.346 1.00 1.71 C ATOM 1433 OH TYR A 93 0.690 -26.968 8.565 1.00 1.75 O ATOM 0 H TYR A 93 -7.004 -28.512 6.571 1.00 1.73 H new ATOM 0 HA TYR A 93 -4.319 -28.748 5.712 1.00 1.74 H new ATOM 0 HB2 TYR A 93 -5.346 -27.060 7.343 1.00 1.65 H new ATOM 0 HB3 TYR A 93 -5.316 -28.316 8.564 1.00 1.65 H new ATOM 0 HD1 TYR A 93 -3.057 -26.776 5.978 1.00 1.64 H new ATOM 0 HD2 TYR A 93 -3.375 -28.556 9.874 1.00 1.71 H new ATOM 0 HE1 TYR A 93 -0.649 -26.341 6.373 1.00 1.66 H new ATOM 0 HE2 TYR A 93 -0.966 -28.129 10.267 1.00 1.73 H new ATOM 0 HH TYR A 93 0.939 -27.294 9.455 1.00 1.75 H new ATOM 1443 N SER A 94 -5.241 -30.916 8.023 1.00 1.88 N ATOM 1444 CA SER A 94 -4.858 -32.220 8.624 1.00 1.99 C ATOM 1445 C SER A 94 -4.565 -33.215 7.501 1.00 2.08 C ATOM 1446 O SER A 94 -3.811 -34.153 7.668 1.00 2.18 O ATOM 1447 CB SER A 94 -6.005 -32.743 9.488 1.00 2.02 C ATOM 1448 OG SER A 94 -5.844 -34.142 9.685 1.00 2.30 O ATOM 0 H SER A 94 -6.116 -30.520 8.366 1.00 1.88 H new ATOM 0 HA SER A 94 -3.972 -32.095 9.246 1.00 1.99 H new ATOM 0 HB2 SER A 94 -6.016 -32.228 10.448 1.00 2.02 H new ATOM 0 HB3 SER A 94 -6.961 -32.540 9.006 1.00 2.02 H new ATOM 0 HG SER A 94 -6.577 -34.481 10.240 1.00 2.30 H new ATOM 1454 N ASN A 95 -5.155 -33.013 6.352 1.00 2.07 N ATOM 1455 CA ASN A 95 -4.907 -33.944 5.215 1.00 2.17 C ATOM 1456 C ASN A 95 -3.494 -33.717 4.671 1.00 2.20 C ATOM 1457 O ASN A 95 -2.874 -34.615 4.136 1.00 2.31 O ATOM 1458 CB ASN A 95 -5.932 -33.687 4.105 1.00 2.16 C ATOM 1459 CG ASN A 95 -5.953 -34.875 3.140 1.00 2.51 C ATOM 1460 OD1 ASN A 95 -5.932 -36.015 3.560 1.00 2.83 O ATOM 1461 ND2 ASN A 95 -5.995 -34.654 1.854 1.00 3.02 N ATOM 0 H ASN A 95 -5.796 -32.245 6.153 1.00 2.07 H new ATOM 0 HA ASN A 95 -5.003 -34.973 5.561 1.00 2.17 H new ATOM 0 HB2 ASN A 95 -6.922 -33.539 4.537 1.00 2.16 H new ATOM 0 HB3 ASN A 95 -5.679 -32.773 3.567 1.00 2.16 H new ATOM 0 HD21 ASN A 95 -6.010 -35.438 1.202 1.00 3.02 H new ATOM 0 HD22 ASN A 95 -6.013 -33.697 1.501 1.00 3.02 H new ATOM 1468 N GLU A 96 -2.972 -32.524 4.811 1.00 2.10 N ATOM 1469 CA GLU A 96 -1.592 -32.247 4.308 1.00 2.14 C ATOM 1470 C GLU A 96 -0.593 -32.561 5.420 1.00 2.14 C ATOM 1471 O GLU A 96 0.467 -33.109 5.188 1.00 2.22 O ATOM 1472 CB GLU A 96 -1.475 -30.767 3.912 1.00 2.07 C ATOM 1473 CG GLU A 96 -2.788 -30.304 3.281 1.00 2.07 C ATOM 1474 CD GLU A 96 -2.569 -28.970 2.564 1.00 2.37 C ATOM 1475 OE1 GLU A 96 -1.706 -28.223 2.995 1.00 2.79 O ATOM 1476 OE2 GLU A 96 -3.268 -28.718 1.597 1.00 2.75 O ATOM 0 H GLU A 96 -3.441 -31.732 5.251 1.00 2.10 H new ATOM 0 HA GLU A 96 -1.383 -32.866 3.435 1.00 2.14 H new ATOM 0 HB2 GLU A 96 -1.247 -30.162 4.789 1.00 2.07 H new ATOM 0 HB3 GLU A 96 -0.653 -30.631 3.209 1.00 2.07 H new ATOM 0 HG2 GLU A 96 -3.148 -31.053 2.576 1.00 2.07 H new ATOM 0 HG3 GLU A 96 -3.554 -30.195 4.049 1.00 2.07 H new ATOM 1483 N TYR A 97 -0.937 -32.223 6.628 1.00 2.07 N ATOM 1484 CA TYR A 97 -0.033 -32.499 7.774 1.00 2.10 C ATOM 1485 C TYR A 97 0.004 -34.007 8.016 1.00 2.19 C ATOM 1486 O TYR A 97 0.961 -34.544 8.537 1.00 2.23 O ATOM 1487 CB TYR A 97 -0.583 -31.785 9.011 1.00 2.03 C ATOM 1488 CG TYR A 97 0.136 -32.261 10.253 1.00 2.11 C ATOM 1489 CD1 TYR A 97 1.418 -31.782 10.548 1.00 2.18 C ATOM 1490 CD2 TYR A 97 -0.481 -33.182 11.108 1.00 2.17 C ATOM 1491 CE1 TYR A 97 2.083 -32.224 11.698 1.00 2.30 C ATOM 1492 CE2 TYR A 97 0.183 -33.624 12.258 1.00 2.29 C ATOM 1493 CZ TYR A 97 1.465 -33.145 12.553 1.00 2.35 C ATOM 1494 OH TYR A 97 2.120 -33.580 13.688 1.00 2.50 O ATOM 0 H TYR A 97 -1.814 -31.763 6.872 1.00 2.07 H new ATOM 0 HA TYR A 97 0.975 -32.141 7.565 1.00 2.10 H new ATOM 0 HB2 TYR A 97 -0.461 -30.707 8.902 1.00 2.03 H new ATOM 0 HB3 TYR A 97 -1.652 -31.977 9.105 1.00 2.03 H new ATOM 0 HD1 TYR A 97 1.894 -31.072 9.888 1.00 2.18 H new ATOM 0 HD2 TYR A 97 -1.470 -33.552 10.880 1.00 2.17 H new ATOM 0 HE1 TYR A 97 3.072 -31.855 11.926 1.00 2.30 H new ATOM 0 HE2 TYR A 97 -0.293 -34.334 12.918 1.00 2.29 H new ATOM 0 HH TYR A 97 1.551 -34.216 14.171 1.00 2.50 H new ATOM 1504 N SER A 98 -1.038 -34.690 7.638 1.00 2.25 N ATOM 1505 CA SER A 98 -1.078 -36.165 7.840 1.00 2.37 C ATOM 1506 C SER A 98 0.015 -36.826 6.998 1.00 2.60 C ATOM 1507 O SER A 98 0.197 -38.025 7.133 1.00 2.98 O ATOM 1508 CB SER A 98 -2.445 -36.702 7.413 1.00 2.55 C ATOM 1509 OG SER A 98 -2.343 -38.097 7.160 1.00 2.98 O ATOM 1510 OXT SER A 98 0.652 -36.122 6.232 1.00 2.90 O ATOM 0 H SER A 98 -1.866 -34.290 7.197 1.00 2.25 H new ATOM 0 HA SER A 98 -0.912 -36.391 8.893 1.00 2.37 H new ATOM 0 HB2 SER A 98 -3.182 -36.515 8.194 1.00 2.55 H new ATOM 0 HB3 SER A 98 -2.790 -36.183 6.519 1.00 2.55 H new ATOM 0 HG SER A 98 -1.478 -38.426 7.483 1.00 2.98 H new TER 1516 SER A 98 HETATM 1517 ZN ZN A 301 -4.894 12.342 -3.369 1.00 0.29 ZN HETATM 1518 ZN ZN A 302 -8.244 -8.902 -0.669 1.00 0.57 ZN HETATM 1519 ZN ZN A 303 -10.972 -26.582 3.235 1.00 1.59 ZN