USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 545 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 32 HIS HD1 : A 32 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 71 ASN : amide:sc= 0 X(o=-0.0026,f=-0.11) USER MOD Set 1.2: A 73 HIS : no HD1:sc=-0.00258 X(o=-0.0026,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.279 K(o=-0.28,f=0.28) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 46:sc= 0.0198 USER MOD Single : A 40 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc=-0.00764 K(o=-0.0076,f=-1.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -116:sc= 1.25 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00527 USER MOD Single : A 62 SER OG : rot 30:sc= 1.08 USER MOD Single : A 63 TYR OH : rot 15:sc= -0.62 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -0.0069 X(o=-0.0069,f=-0.35) USER MOD Single : A 69 GLN : amide:sc= -0.925 K(o=-0.93,f=-1.8) USER MOD Single : A 72 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.059) USER MOD Single : A 76 ASN : amide:sc= -0.157 K(o=-0.16,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.629 -15.099 14.894 1.00 0.00 N ATOM 2 CA GLY A 1 36.161 -16.132 15.799 1.00 0.00 C ATOM 3 C GLY A 1 34.858 -16.757 15.341 1.00 0.00 C ATOM 4 O GLY A 1 34.770 -17.973 15.174 1.00 0.00 O ATOM 0 H1 GLY A 1 37.522 -14.703 15.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.784 -15.508 13.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.917 -14.344 14.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.922 -16.908 15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.026 -15.706 16.793 1.00 0.00 H new ATOM 8 N SER A 2 33.843 -15.923 15.140 1.00 0.00 N ATOM 9 CA SER A 2 32.536 -16.402 14.704 1.00 0.00 C ATOM 10 C SER A 2 32.328 -16.136 13.216 1.00 0.00 C ATOM 11 O SER A 2 32.161 -14.991 12.797 1.00 0.00 O ATOM 12 CB SER A 2 31.426 -15.728 15.514 1.00 0.00 C ATOM 13 OG SER A 2 30.226 -15.646 14.765 1.00 0.00 O ATOM 0 H SER A 2 33.900 -14.913 15.272 1.00 0.00 H new ATOM 0 HA SER A 2 32.497 -17.478 14.872 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.248 -16.290 16.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.743 -14.728 15.809 1.00 0.00 H new ATOM 0 HG SER A 2 29.532 -15.213 15.305 1.00 0.00 H new ATOM 19 N SER A 3 32.341 -17.202 12.423 1.00 0.00 N ATOM 20 CA SER A 3 32.158 -17.085 10.981 1.00 0.00 C ATOM 21 C SER A 3 30.680 -16.945 10.631 1.00 0.00 C ATOM 22 O SER A 3 30.021 -17.918 10.267 1.00 0.00 O ATOM 23 CB SER A 3 32.749 -18.304 10.270 1.00 0.00 C ATOM 24 OG SER A 3 32.504 -18.249 8.875 1.00 0.00 O ATOM 0 H SER A 3 32.476 -18.157 12.755 1.00 0.00 H new ATOM 0 HA SER A 3 32.680 -16.189 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.823 -18.350 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.316 -19.215 10.683 1.00 0.00 H new ATOM 0 HG SER A 3 32.893 -19.038 8.443 1.00 0.00 H new ATOM 30 N GLY A 4 30.164 -15.724 10.744 1.00 0.00 N ATOM 31 CA GLY A 4 28.768 -15.477 10.436 1.00 0.00 C ATOM 32 C GLY A 4 28.544 -14.113 9.814 1.00 0.00 C ATOM 33 O GLY A 4 29.485 -13.476 9.341 1.00 0.00 O ATOM 0 H GLY A 4 30.689 -14.902 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.408 -16.247 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.178 -15.558 11.349 1.00 0.00 H new ATOM 37 N SER A 5 27.293 -13.663 9.813 1.00 0.00 N ATOM 38 CA SER A 5 26.947 -12.368 9.239 1.00 0.00 C ATOM 39 C SER A 5 25.790 -11.729 10.000 1.00 0.00 C ATOM 40 O SER A 5 25.044 -12.409 10.705 1.00 0.00 O ATOM 41 CB SER A 5 26.577 -12.523 7.762 1.00 0.00 C ATOM 42 OG SER A 5 25.392 -13.286 7.611 1.00 0.00 O ATOM 0 H SER A 5 26.503 -14.176 10.203 1.00 0.00 H new ATOM 0 HA SER A 5 27.818 -11.717 9.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.440 -11.539 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.395 -13.006 7.228 1.00 0.00 H new ATOM 0 HG SER A 5 25.176 -13.369 6.659 1.00 0.00 H new ATOM 48 N SER A 6 25.647 -10.415 9.853 1.00 0.00 N ATOM 49 CA SER A 6 24.583 -9.682 10.529 1.00 0.00 C ATOM 50 C SER A 6 23.214 -10.243 10.157 1.00 0.00 C ATOM 51 O SER A 6 22.486 -10.749 11.009 1.00 0.00 O ATOM 52 CB SER A 6 24.652 -8.196 10.170 1.00 0.00 C ATOM 53 OG SER A 6 23.498 -7.508 10.622 1.00 0.00 O ATOM 0 H SER A 6 26.254 -9.837 9.272 1.00 0.00 H new ATOM 0 HA SER A 6 24.723 -9.797 11.604 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.542 -7.752 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.747 -8.084 9.090 1.00 0.00 H new ATOM 0 HG SER A 6 23.567 -6.560 10.382 1.00 0.00 H new ATOM 59 N GLY A 7 22.871 -10.149 8.875 1.00 0.00 N ATOM 60 CA GLY A 7 21.591 -10.651 8.411 1.00 0.00 C ATOM 61 C GLY A 7 21.238 -10.147 7.026 1.00 0.00 C ATOM 62 O GLY A 7 21.059 -10.936 6.099 1.00 0.00 O ATOM 0 H GLY A 7 23.457 -9.734 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.613 -11.741 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.812 -10.353 9.112 1.00 0.00 H new ATOM 66 N ASN A 8 21.138 -8.830 6.884 1.00 0.00 N ATOM 67 CA ASN A 8 20.802 -8.222 5.602 1.00 0.00 C ATOM 68 C ASN A 8 21.422 -6.833 5.479 1.00 0.00 C ATOM 69 O ASN A 8 21.298 -6.004 6.380 1.00 0.00 O ATOM 70 CB ASN A 8 19.283 -8.131 5.439 1.00 0.00 C ATOM 71 CG ASN A 8 18.586 -7.739 6.728 1.00 0.00 C ATOM 72 OD1 ASN A 8 19.113 -6.956 7.518 1.00 0.00 O ATOM 73 ND2 ASN A 8 17.395 -8.284 6.945 1.00 0.00 N ATOM 0 H ASN A 8 21.285 -8.163 7.641 1.00 0.00 H new ATOM 0 HA ASN A 8 21.208 -8.853 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 8 19.046 -7.401 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.898 -9.093 5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.878 -8.058 7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.997 -8.928 6.262 1.00 0.00 H new ATOM 80 N VAL A 9 22.090 -6.587 4.356 1.00 0.00 N ATOM 81 CA VAL A 9 22.728 -5.299 4.113 1.00 0.00 C ATOM 82 C VAL A 9 22.236 -4.678 2.811 1.00 0.00 C ATOM 83 O VAL A 9 22.976 -4.602 1.830 1.00 0.00 O ATOM 84 CB VAL A 9 24.261 -5.434 4.058 1.00 0.00 C ATOM 85 CG1 VAL A 9 24.830 -5.646 5.453 1.00 0.00 C ATOM 86 CG2 VAL A 9 24.663 -6.571 3.131 1.00 0.00 C ATOM 0 H VAL A 9 22.203 -7.263 3.601 1.00 0.00 H new ATOM 0 HA VAL A 9 22.457 -4.650 4.946 1.00 0.00 H new ATOM 0 HB VAL A 9 24.675 -4.508 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.914 -5.739 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.573 -4.795 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.411 -6.556 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 25.750 -6.652 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 9 24.238 -7.506 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.289 -6.371 2.127 1.00 0.00 H new ATOM 96 N GLN A 10 20.983 -4.236 2.809 1.00 0.00 N ATOM 97 CA GLN A 10 20.392 -3.622 1.625 1.00 0.00 C ATOM 98 C GLN A 10 19.213 -2.732 2.005 1.00 0.00 C ATOM 99 O GLN A 10 18.746 -2.758 3.143 1.00 0.00 O ATOM 100 CB GLN A 10 19.936 -4.699 0.640 1.00 0.00 C ATOM 101 CG GLN A 10 18.735 -5.496 1.121 1.00 0.00 C ATOM 102 CD GLN A 10 18.444 -6.700 0.248 1.00 0.00 C ATOM 103 OE1 GLN A 10 17.591 -6.648 -0.638 1.00 0.00 O ATOM 104 NE2 GLN A 10 19.155 -7.795 0.493 1.00 0.00 N ATOM 0 H GLN A 10 20.358 -4.291 3.613 1.00 0.00 H new ATOM 0 HA GLN A 10 21.153 -3.003 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 10 19.691 -4.228 -0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 10 20.764 -5.383 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.911 -5.828 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.859 -4.848 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.852 -7.794 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.004 -8.636 -0.063 1.00 0.00 H new ATOM 113 N GLU A 11 18.738 -1.946 1.044 1.00 0.00 N ATOM 114 CA GLU A 11 17.614 -1.047 1.279 1.00 0.00 C ATOM 115 C GLU A 11 16.353 -1.833 1.631 1.00 0.00 C ATOM 116 O GLU A 11 16.369 -3.062 1.677 1.00 0.00 O ATOM 117 CB GLU A 11 17.359 -0.179 0.045 1.00 0.00 C ATOM 118 CG GLU A 11 18.252 1.048 -0.031 1.00 0.00 C ATOM 119 CD GLU A 11 19.726 0.704 0.066 1.00 0.00 C ATOM 120 OE1 GLU A 11 20.177 -0.185 -0.686 1.00 0.00 O ATOM 121 OE2 GLU A 11 20.427 1.322 0.894 1.00 0.00 O ATOM 0 H GLU A 11 19.114 -1.913 0.096 1.00 0.00 H new ATOM 0 HA GLU A 11 17.867 -0.403 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.508 -0.782 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.317 0.140 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.066 1.571 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.989 1.734 0.774 1.00 0.00 H new ATOM 128 N GLU A 12 15.264 -1.112 1.879 1.00 0.00 N ATOM 129 CA GLU A 12 13.996 -1.742 2.228 1.00 0.00 C ATOM 130 C GLU A 12 13.140 -1.967 0.985 1.00 0.00 C ATOM 131 O GLU A 12 12.019 -1.466 0.890 1.00 0.00 O ATOM 132 CB GLU A 12 13.234 -0.879 3.236 1.00 0.00 C ATOM 133 CG GLU A 12 13.945 -0.731 4.571 1.00 0.00 C ATOM 134 CD GLU A 12 14.425 -2.057 5.127 1.00 0.00 C ATOM 135 OE1 GLU A 12 13.594 -2.978 5.267 1.00 0.00 O ATOM 136 OE2 GLU A 12 15.634 -2.174 5.420 1.00 0.00 O ATOM 0 H GLU A 12 15.234 -0.093 1.845 1.00 0.00 H new ATOM 0 HA GLU A 12 14.212 -2.710 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.075 0.110 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.250 -1.316 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.797 -0.061 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.270 -0.264 5.288 1.00 0.00 H new ATOM 143 N VAL A 13 13.677 -2.723 0.033 1.00 0.00 N ATOM 144 CA VAL A 13 12.963 -3.016 -1.204 1.00 0.00 C ATOM 145 C VAL A 13 12.527 -4.476 -1.255 1.00 0.00 C ATOM 146 O VAL A 13 12.779 -5.177 -2.236 1.00 0.00 O ATOM 147 CB VAL A 13 13.831 -2.707 -2.439 1.00 0.00 C ATOM 148 CG1 VAL A 13 14.035 -1.207 -2.587 1.00 0.00 C ATOM 149 CG2 VAL A 13 15.167 -3.429 -2.345 1.00 0.00 C ATOM 0 H VAL A 13 14.604 -3.144 0.095 1.00 0.00 H new ATOM 0 HA VAL A 13 12.081 -2.376 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 13 13.311 -3.067 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.650 -1.008 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.068 -0.718 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.533 -0.818 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.767 -3.200 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.696 -3.101 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.997 -4.504 -2.292 1.00 0.00 H new ATOM 159 N THR A 14 11.871 -4.930 -0.192 1.00 0.00 N ATOM 160 CA THR A 14 11.400 -6.307 -0.114 1.00 0.00 C ATOM 161 C THR A 14 9.981 -6.372 0.438 1.00 0.00 C ATOM 162 O THR A 14 9.725 -5.960 1.570 1.00 0.00 O ATOM 163 CB THR A 14 12.323 -7.167 0.770 1.00 0.00 C ATOM 164 OG1 THR A 14 13.055 -6.331 1.673 1.00 0.00 O ATOM 165 CG2 THR A 14 13.292 -7.972 -0.083 1.00 0.00 C ATOM 0 H THR A 14 11.654 -4.363 0.628 1.00 0.00 H new ATOM 0 HA THR A 14 11.410 -6.703 -1.130 1.00 0.00 H new ATOM 0 HB THR A 14 11.703 -7.859 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.638 -6.886 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.934 -8.572 0.563 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.732 -8.629 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.906 -7.293 -0.675 1.00 0.00 H new ATOM 173 N CYS A 15 9.061 -6.893 -0.367 1.00 0.00 N ATOM 174 CA CYS A 15 7.667 -7.014 0.041 1.00 0.00 C ATOM 175 C CYS A 15 7.555 -7.695 1.402 1.00 0.00 C ATOM 176 O CYS A 15 7.791 -8.895 1.545 1.00 0.00 O ATOM 177 CB CYS A 15 6.874 -7.803 -1.003 1.00 0.00 C ATOM 178 SG CYS A 15 5.067 -7.709 -0.792 1.00 0.00 S ATOM 0 H CYS A 15 9.256 -7.238 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 15 7.250 -6.010 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.133 -7.434 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.180 -8.848 -0.962 1.00 0.00 H new ATOM 183 N PRO A 16 7.186 -6.913 2.427 1.00 0.00 N ATOM 184 CA PRO A 16 7.033 -7.418 3.794 1.00 0.00 C ATOM 185 C PRO A 16 5.829 -8.343 3.939 1.00 0.00 C ATOM 186 O PRO A 16 5.645 -8.979 4.978 1.00 0.00 O ATOM 187 CB PRO A 16 6.833 -6.147 4.623 1.00 0.00 C ATOM 188 CG PRO A 16 6.272 -5.154 3.664 1.00 0.00 C ATOM 189 CD PRO A 16 6.888 -5.474 2.330 1.00 0.00 C ATOM 0 HA PRO A 16 7.890 -8.015 4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.152 -6.321 5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.775 -5.799 5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.185 -5.225 3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.512 -4.136 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.203 -5.260 1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.790 -4.888 2.153 1.00 0.00 H new ATOM 197 N ILE A 17 5.014 -8.414 2.892 1.00 0.00 N ATOM 198 CA ILE A 17 3.829 -9.263 2.904 1.00 0.00 C ATOM 199 C ILE A 17 4.185 -10.708 2.567 1.00 0.00 C ATOM 200 O ILE A 17 4.108 -11.592 3.420 1.00 0.00 O ATOM 201 CB ILE A 17 2.768 -8.762 1.906 1.00 0.00 C ATOM 202 CG1 ILE A 17 2.449 -7.288 2.165 1.00 0.00 C ATOM 203 CG2 ILE A 17 1.507 -9.608 2.005 1.00 0.00 C ATOM 204 CD1 ILE A 17 1.566 -6.666 1.107 1.00 0.00 C ATOM 0 H ILE A 17 5.152 -7.894 2.025 1.00 0.00 H new ATOM 0 HA ILE A 17 3.418 -9.218 3.913 1.00 0.00 H new ATOM 0 HB ILE A 17 3.167 -8.856 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.960 -7.195 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.382 -6.728 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.766 -9.242 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.747 -10.647 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.103 -9.542 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.381 -5.621 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.061 -6.727 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.618 -7.202 1.064 1.00 0.00 H new ATOM 216 N CYS A 18 4.576 -10.940 1.319 1.00 0.00 N ATOM 217 CA CYS A 18 4.946 -12.276 0.868 1.00 0.00 C ATOM 218 C CYS A 18 6.382 -12.605 1.263 1.00 0.00 C ATOM 219 O CYS A 18 6.774 -13.772 1.307 1.00 0.00 O ATOM 220 CB CYS A 18 4.783 -12.388 -0.649 1.00 0.00 C ATOM 221 SG CYS A 18 5.784 -11.196 -1.595 1.00 0.00 S ATOM 0 H CYS A 18 4.645 -10.219 0.601 1.00 0.00 H new ATOM 0 HA CYS A 18 4.282 -12.993 1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.051 -13.398 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.732 -12.245 -0.902 1.00 0.00 H new ATOM 226 N LEU A 19 7.163 -11.569 1.548 1.00 0.00 N ATOM 227 CA LEU A 19 8.558 -11.747 1.940 1.00 0.00 C ATOM 228 C LEU A 19 9.365 -12.375 0.808 1.00 0.00 C ATOM 229 O LEU A 19 9.512 -13.595 0.741 1.00 0.00 O ATOM 230 CB LEU A 19 8.649 -12.621 3.192 1.00 0.00 C ATOM 231 CG LEU A 19 7.722 -12.237 4.347 1.00 0.00 C ATOM 232 CD1 LEU A 19 7.693 -13.338 5.396 1.00 0.00 C ATOM 233 CD2 LEU A 19 8.160 -10.918 4.967 1.00 0.00 C ATOM 0 H LEU A 19 6.855 -10.597 1.515 1.00 0.00 H new ATOM 0 HA LEU A 19 8.977 -10.765 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.435 -13.651 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.677 -12.597 3.554 1.00 0.00 H new ATOM 0 HG LEU A 19 6.714 -12.112 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.029 -13.048 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.331 -14.262 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.698 -13.495 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.489 -10.661 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.177 -11.015 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.128 -10.133 4.212 1.00 0.00 H new ATOM 245 N GLU A 20 9.887 -11.532 -0.077 1.00 0.00 N ATOM 246 CA GLU A 20 10.681 -12.006 -1.205 1.00 0.00 C ATOM 247 C GLU A 20 11.417 -10.849 -1.876 1.00 0.00 C ATOM 248 O GLU A 20 11.338 -9.705 -1.428 1.00 0.00 O ATOM 249 CB GLU A 20 9.787 -12.715 -2.225 1.00 0.00 C ATOM 250 CG GLU A 20 8.932 -11.767 -3.048 1.00 0.00 C ATOM 251 CD GLU A 20 7.846 -12.487 -3.825 1.00 0.00 C ATOM 252 OE1 GLU A 20 7.432 -13.581 -3.389 1.00 0.00 O ATOM 253 OE2 GLU A 20 7.411 -11.956 -4.868 1.00 0.00 O ATOM 0 H GLU A 20 9.775 -10.519 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 20 11.419 -12.713 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.412 -13.303 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.137 -13.415 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.474 -11.031 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.569 -11.220 -3.743 1.00 0.00 H new ATOM 260 N LEU A 21 12.134 -11.157 -2.952 1.00 0.00 N ATOM 261 CA LEU A 21 12.885 -10.144 -3.685 1.00 0.00 C ATOM 262 C LEU A 21 11.989 -9.417 -4.683 1.00 0.00 C ATOM 263 O LEU A 21 11.355 -10.042 -5.534 1.00 0.00 O ATOM 264 CB LEU A 21 14.066 -10.787 -4.416 1.00 0.00 C ATOM 265 CG LEU A 21 14.787 -9.902 -5.433 1.00 0.00 C ATOM 266 CD1 LEU A 21 15.540 -8.784 -4.730 1.00 0.00 C ATOM 267 CD2 LEU A 21 15.736 -10.733 -6.285 1.00 0.00 C ATOM 0 H LEU A 21 12.211 -12.099 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 21 13.262 -9.416 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.792 -11.117 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.708 -11.679 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 21 14.041 -9.453 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.047 -8.165 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.838 -8.172 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.276 -9.213 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 21 16.241 -10.087 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.477 -11.211 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.171 -11.497 -6.819 1.00 0.00 H new ATOM 279 N LEU A 22 11.943 -8.094 -4.574 1.00 0.00 N ATOM 280 CA LEU A 22 11.127 -7.281 -5.469 1.00 0.00 C ATOM 281 C LEU A 22 11.833 -7.063 -6.803 1.00 0.00 C ATOM 282 O LEU A 22 13.012 -6.711 -6.845 1.00 0.00 O ATOM 283 CB LEU A 22 10.812 -5.932 -4.820 1.00 0.00 C ATOM 284 CG LEU A 22 9.747 -5.948 -3.722 1.00 0.00 C ATOM 285 CD1 LEU A 22 9.863 -4.708 -2.849 1.00 0.00 C ATOM 286 CD2 LEU A 22 8.356 -6.047 -4.330 1.00 0.00 C ATOM 0 H LEU A 22 12.461 -7.561 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 22 10.195 -7.815 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.733 -5.530 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.491 -5.242 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 22 9.911 -6.825 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.098 -4.736 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.849 -4.681 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.726 -3.817 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.611 -6.057 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.181 -5.190 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.278 -6.965 -4.912 1.00 0.00 H new ATOM 298 N THR A 23 11.103 -7.274 -7.895 1.00 0.00 N ATOM 299 CA THR A 23 11.658 -7.100 -9.231 1.00 0.00 C ATOM 300 C THR A 23 11.036 -5.898 -9.933 1.00 0.00 C ATOM 301 O THR A 23 11.700 -5.207 -10.705 1.00 0.00 O ATOM 302 CB THR A 23 11.441 -8.355 -10.097 1.00 0.00 C ATOM 303 OG1 THR A 23 11.786 -8.075 -11.459 1.00 0.00 O ATOM 304 CG2 THR A 23 9.996 -8.822 -10.020 1.00 0.00 C ATOM 0 H THR A 23 10.126 -7.566 -7.879 1.00 0.00 H new ATOM 0 HA THR A 23 12.728 -6.932 -9.109 1.00 0.00 H new ATOM 0 HB THR A 23 12.083 -9.149 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.647 -8.878 -12.003 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.867 -9.709 -10.640 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.746 -9.061 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.338 -8.030 -10.379 1.00 0.00 H new ATOM 312 N GLU A 24 9.758 -5.654 -9.658 1.00 0.00 N ATOM 313 CA GLU A 24 9.048 -4.534 -10.264 1.00 0.00 C ATOM 314 C GLU A 24 7.912 -4.058 -9.362 1.00 0.00 C ATOM 315 O GLU A 24 6.731 -4.220 -9.671 1.00 0.00 O ATOM 316 CB GLU A 24 8.493 -4.934 -11.633 1.00 0.00 C ATOM 317 CG GLU A 24 9.554 -5.017 -12.718 1.00 0.00 C ATOM 318 CD GLU A 24 10.378 -3.749 -12.826 1.00 0.00 C ATOM 319 OE1 GLU A 24 9.784 -2.651 -12.808 1.00 0.00 O ATOM 320 OE2 GLU A 24 11.618 -3.855 -12.928 1.00 0.00 O ATOM 0 H GLU A 24 9.194 -6.216 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 24 9.755 -3.715 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.997 -5.901 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.734 -4.212 -11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.215 -5.859 -12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.074 -5.217 -13.676 1.00 0.00 H new ATOM 327 N PRO A 25 8.276 -3.458 -8.220 1.00 0.00 N ATOM 328 CA PRO A 25 7.303 -2.946 -7.250 1.00 0.00 C ATOM 329 C PRO A 25 6.555 -1.723 -7.769 1.00 0.00 C ATOM 330 O PRO A 25 6.696 -1.344 -8.932 1.00 0.00 O ATOM 331 CB PRO A 25 8.169 -2.572 -6.044 1.00 0.00 C ATOM 332 CG PRO A 25 9.518 -2.301 -6.615 1.00 0.00 C ATOM 333 CD PRO A 25 9.665 -3.231 -7.787 1.00 0.00 C ATOM 0 HA PRO A 25 6.527 -3.678 -7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.774 -1.696 -5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.203 -3.382 -5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.607 -1.261 -6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.298 -2.479 -5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.265 -2.786 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.154 -4.162 -7.502 1.00 0.00 H new ATOM 341 N LEU A 26 5.759 -1.110 -6.900 1.00 0.00 N ATOM 342 CA LEU A 26 4.988 0.072 -7.271 1.00 0.00 C ATOM 343 C LEU A 26 5.006 1.107 -6.151 1.00 0.00 C ATOM 344 O LEU A 26 4.333 0.947 -5.133 1.00 0.00 O ATOM 345 CB LEU A 26 3.546 -0.318 -7.598 1.00 0.00 C ATOM 346 CG LEU A 26 3.364 -1.614 -8.389 1.00 0.00 C ATOM 347 CD1 LEU A 26 1.896 -2.008 -8.437 1.00 0.00 C ATOM 348 CD2 LEU A 26 3.924 -1.463 -9.796 1.00 0.00 C ATOM 0 H LEU A 26 5.630 -1.411 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 26 5.448 0.513 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.994 -0.406 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.090 0.496 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 26 3.915 -2.407 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.786 -2.932 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.526 -2.158 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.322 -1.216 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.786 -2.395 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.401 -0.658 -10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.987 -1.228 -9.741 1.00 0.00 H new ATOM 360 N SER A 27 5.779 2.171 -6.347 1.00 0.00 N ATOM 361 CA SER A 27 5.885 3.232 -5.352 1.00 0.00 C ATOM 362 C SER A 27 4.504 3.748 -4.958 1.00 0.00 C ATOM 363 O SER A 27 3.731 4.196 -5.806 1.00 0.00 O ATOM 364 CB SER A 27 6.736 4.383 -5.893 1.00 0.00 C ATOM 365 OG SER A 27 7.175 5.229 -4.844 1.00 0.00 O ATOM 0 H SER A 27 6.341 2.321 -7.185 1.00 0.00 H new ATOM 0 HA SER A 27 6.366 2.818 -4.465 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.598 3.983 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.156 4.961 -6.612 1.00 0.00 H new ATOM 0 HG SER A 27 7.718 5.955 -5.215 1.00 0.00 H new ATOM 371 N LEU A 28 4.201 3.681 -3.667 1.00 0.00 N ATOM 372 CA LEU A 28 2.914 4.141 -3.158 1.00 0.00 C ATOM 373 C LEU A 28 2.967 5.622 -2.800 1.00 0.00 C ATOM 374 O LEU A 28 3.963 6.298 -3.060 1.00 0.00 O ATOM 375 CB LEU A 28 2.506 3.323 -1.931 1.00 0.00 C ATOM 376 CG LEU A 28 2.428 1.808 -2.130 1.00 0.00 C ATOM 377 CD1 LEU A 28 1.904 1.132 -0.873 1.00 0.00 C ATOM 378 CD2 LEU A 28 1.550 1.472 -3.326 1.00 0.00 C ATOM 0 H LEU A 28 4.829 3.312 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 28 2.171 4.002 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.216 3.528 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.532 3.675 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 28 3.433 1.433 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.855 0.055 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.573 1.345 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.908 1.511 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.506 0.390 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.545 1.859 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.969 1.926 -4.224 1.00 0.00 H new ATOM 390 N ASP A 29 1.891 6.120 -2.201 1.00 0.00 N ATOM 391 CA ASP A 29 1.816 7.522 -1.805 1.00 0.00 C ATOM 392 C ASP A 29 2.569 7.758 -0.499 1.00 0.00 C ATOM 393 O ASP A 29 3.096 8.845 -0.261 1.00 0.00 O ATOM 394 CB ASP A 29 0.357 7.953 -1.651 1.00 0.00 C ATOM 395 CG ASP A 29 0.218 9.436 -1.370 1.00 0.00 C ATOM 396 OD1 ASP A 29 1.122 10.202 -1.765 1.00 0.00 O ATOM 397 OD2 ASP A 29 -0.794 9.832 -0.753 1.00 0.00 O ATOM 0 H ASP A 29 1.059 5.574 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 29 2.283 8.121 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.190 7.706 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.102 7.388 -0.840 1.00 0.00 H new ATOM 402 N CYS A 30 2.616 6.732 0.345 1.00 0.00 N ATOM 403 CA CYS A 30 3.302 6.827 1.627 1.00 0.00 C ATOM 404 C CYS A 30 4.801 6.594 1.460 1.00 0.00 C ATOM 405 O CYS A 30 5.609 7.094 2.242 1.00 0.00 O ATOM 406 CB CYS A 30 2.724 5.812 2.616 1.00 0.00 C ATOM 407 SG CYS A 30 3.059 4.076 2.180 1.00 0.00 S ATOM 0 H CYS A 30 2.187 5.825 0.163 1.00 0.00 H new ATOM 0 HA CYS A 30 3.149 7.833 2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.133 6.012 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.646 5.958 2.681 1.00 0.00 H new ATOM 412 N GLY A 31 5.165 5.831 0.434 1.00 0.00 N ATOM 413 CA GLY A 31 6.565 5.544 0.183 1.00 0.00 C ATOM 414 C GLY A 31 6.936 4.116 0.529 1.00 0.00 C ATOM 415 O GLY A 31 7.837 3.878 1.333 1.00 0.00 O ATOM 0 H GLY A 31 4.515 5.407 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.788 5.729 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.183 6.228 0.765 1.00 0.00 H new ATOM 419 N HIS A 32 6.239 3.161 -0.080 1.00 0.00 N ATOM 420 CA HIS A 32 6.499 1.748 0.169 1.00 0.00 C ATOM 421 C HIS A 32 6.471 0.953 -1.133 1.00 0.00 C ATOM 422 O HIS A 32 5.705 1.264 -2.045 1.00 0.00 O ATOM 423 CB HIS A 32 5.470 1.182 1.148 1.00 0.00 C ATOM 424 CG HIS A 32 5.836 1.386 2.586 1.00 0.00 C ATOM 425 ND1 HIS A 32 4.906 1.406 3.604 1.00 0.00 N ATOM 426 CD2 HIS A 32 7.040 1.579 3.175 1.00 0.00 C ATOM 427 CE1 HIS A 32 5.522 1.603 4.756 1.00 0.00 C ATOM 428 NE2 HIS A 32 6.817 1.711 4.523 1.00 0.00 N ATOM 0 H HIS A 32 5.490 3.341 -0.749 1.00 0.00 H new ATOM 0 HA HIS A 32 7.493 1.659 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.504 1.650 0.958 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.350 0.115 0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.997 1.621 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.047 1.665 5.724 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.535 1.867 5.230 1.00 0.00 H new ATOM 436 N SER A 33 7.311 -0.074 -1.212 1.00 0.00 N ATOM 437 CA SER A 33 7.385 -0.911 -2.404 1.00 0.00 C ATOM 438 C SER A 33 6.730 -2.267 -2.157 1.00 0.00 C ATOM 439 O SER A 33 7.111 -2.996 -1.241 1.00 0.00 O ATOM 440 CB SER A 33 8.843 -1.105 -2.826 1.00 0.00 C ATOM 441 OG SER A 33 9.698 -1.158 -1.698 1.00 0.00 O ATOM 0 H SER A 33 7.950 -0.347 -0.465 1.00 0.00 H new ATOM 0 HA SER A 33 6.846 -0.407 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.939 -2.025 -3.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.148 -0.287 -3.479 1.00 0.00 H new ATOM 0 HG SER A 33 9.308 -1.748 -1.019 1.00 0.00 H new ATOM 447 N LEU A 34 5.743 -2.598 -2.982 1.00 0.00 N ATOM 448 CA LEU A 34 5.033 -3.866 -2.855 1.00 0.00 C ATOM 449 C LEU A 34 4.791 -4.494 -4.224 1.00 0.00 C ATOM 450 O LEU A 34 4.999 -3.857 -5.257 1.00 0.00 O ATOM 451 CB LEU A 34 3.700 -3.658 -2.134 1.00 0.00 C ATOM 452 CG LEU A 34 3.717 -2.672 -0.966 1.00 0.00 C ATOM 453 CD1 LEU A 34 2.299 -2.349 -0.519 1.00 0.00 C ATOM 454 CD2 LEU A 34 4.528 -3.231 0.194 1.00 0.00 C ATOM 0 H LEU A 34 5.416 -2.006 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 34 5.654 -4.544 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.965 -3.315 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.355 -4.623 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 34 4.190 -1.749 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.331 -1.646 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.748 -1.905 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.800 -3.265 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.529 -2.515 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.085 -4.168 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.553 -3.410 -0.132 1.00 0.00 H new ATOM 466 N CYS A 35 4.348 -5.747 -4.225 1.00 0.00 N ATOM 467 CA CYS A 35 4.075 -6.461 -5.466 1.00 0.00 C ATOM 468 C CYS A 35 2.705 -6.084 -6.021 1.00 0.00 C ATOM 469 O CYS A 35 1.754 -5.877 -5.267 1.00 0.00 O ATOM 470 CB CYS A 35 4.145 -7.972 -5.235 1.00 0.00 C ATOM 471 SG CYS A 35 5.621 -8.516 -4.316 1.00 0.00 S ATOM 0 H CYS A 35 4.170 -6.289 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 35 4.834 -6.175 -6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.255 -8.287 -4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.124 -8.478 -6.200 1.00 0.00 H new ATOM 476 N ARG A 36 2.612 -5.995 -7.344 1.00 0.00 N ATOM 477 CA ARG A 36 1.359 -5.642 -8.000 1.00 0.00 C ATOM 478 C ARG A 36 0.252 -6.623 -7.623 1.00 0.00 C ATOM 479 O ARG A 36 -0.929 -6.279 -7.644 1.00 0.00 O ATOM 480 CB ARG A 36 1.542 -5.622 -9.519 1.00 0.00 C ATOM 481 CG ARG A 36 2.197 -6.877 -10.070 1.00 0.00 C ATOM 482 CD ARG A 36 1.867 -7.078 -11.541 1.00 0.00 C ATOM 483 NE ARG A 36 0.576 -7.734 -11.728 1.00 0.00 N ATOM 484 CZ ARG A 36 0.136 -8.169 -12.903 1.00 0.00 C ATOM 485 NH1 ARG A 36 0.880 -8.019 -13.990 1.00 0.00 N ATOM 486 NH2 ARG A 36 -1.050 -8.757 -12.993 1.00 0.00 N ATOM 0 H ARG A 36 3.390 -6.163 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 36 1.069 -4.647 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.569 -5.493 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.146 -4.757 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.278 -6.810 -9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.863 -7.744 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.859 -6.112 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.649 -7.676 -12.009 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.021 -7.865 -10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.793 -7.569 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.540 -8.354 -14.891 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.625 -8.875 -12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.387 -9.091 -13.896 1.00 0.00 H new ATOM 500 N ALA A 37 0.644 -7.845 -7.279 1.00 0.00 N ATOM 501 CA ALA A 37 -0.314 -8.875 -6.897 1.00 0.00 C ATOM 502 C ALA A 37 -0.701 -8.746 -5.427 1.00 0.00 C ATOM 503 O ALA A 37 -1.884 -8.719 -5.086 1.00 0.00 O ATOM 504 CB ALA A 37 0.258 -10.258 -7.174 1.00 0.00 C ATOM 0 H ALA A 37 1.618 -8.146 -7.257 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.214 -8.739 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.468 -11.017 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.478 -10.354 -8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.174 -10.394 -6.600 1.00 0.00 H new ATOM 510 N CYS A 38 0.303 -8.668 -4.561 1.00 0.00 N ATOM 511 CA CYS A 38 0.069 -8.543 -3.127 1.00 0.00 C ATOM 512 C CYS A 38 -0.888 -7.392 -2.831 1.00 0.00 C ATOM 513 O CYS A 38 -1.704 -7.470 -1.911 1.00 0.00 O ATOM 514 CB CYS A 38 1.391 -8.323 -2.390 1.00 0.00 C ATOM 515 SG CYS A 38 2.509 -9.762 -2.424 1.00 0.00 S ATOM 0 H CYS A 38 1.287 -8.689 -4.827 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.385 -9.470 -2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.903 -7.468 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.178 -8.066 -1.352 1.00 0.00 H new ATOM 520 N ILE A 39 -0.783 -6.325 -3.616 1.00 0.00 N ATOM 521 CA ILE A 39 -1.639 -5.159 -3.439 1.00 0.00 C ATOM 522 C ILE A 39 -3.071 -5.458 -3.869 1.00 0.00 C ATOM 523 O ILE A 39 -4.023 -5.172 -3.141 1.00 0.00 O ATOM 524 CB ILE A 39 -1.117 -3.950 -4.238 1.00 0.00 C ATOM 525 CG1 ILE A 39 0.306 -3.598 -3.800 1.00 0.00 C ATOM 526 CG2 ILE A 39 -2.043 -2.756 -4.058 1.00 0.00 C ATOM 527 CD1 ILE A 39 1.063 -2.770 -4.815 1.00 0.00 C ATOM 0 H ILE A 39 -0.113 -6.244 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.624 -4.916 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.097 -4.213 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.263 -3.052 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.857 -4.519 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.661 -1.910 -4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.041 -3.013 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.092 -2.489 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.064 -2.558 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.138 -3.322 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.534 -1.833 -4.987 1.00 0.00 H new ATOM 539 N THR A 40 -3.218 -6.038 -5.056 1.00 0.00 N ATOM 540 CA THR A 40 -4.533 -6.378 -5.583 1.00 0.00 C ATOM 541 C THR A 40 -5.160 -7.527 -4.801 1.00 0.00 C ATOM 542 O THR A 40 -4.466 -8.446 -4.367 1.00 0.00 O ATOM 543 CB THR A 40 -4.459 -6.766 -7.072 1.00 0.00 C ATOM 544 OG1 THR A 40 -3.581 -5.874 -7.768 1.00 0.00 O ATOM 545 CG2 THR A 40 -5.839 -6.729 -7.711 1.00 0.00 C ATOM 0 H THR A 40 -2.442 -6.282 -5.671 1.00 0.00 H new ATOM 0 HA THR A 40 -5.154 -5.489 -5.477 1.00 0.00 H new ATOM 0 HB THR A 40 -4.072 -7.783 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.654 -6.170 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.761 -7.007 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.496 -7.431 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.250 -5.723 -7.631 1.00 0.00 H new ATOM 553 N VAL A 41 -6.476 -7.468 -4.625 1.00 0.00 N ATOM 554 CA VAL A 41 -7.197 -8.505 -3.896 1.00 0.00 C ATOM 555 C VAL A 41 -8.102 -9.303 -4.828 1.00 0.00 C ATOM 556 O VAL A 41 -8.779 -8.738 -5.686 1.00 0.00 O ATOM 557 CB VAL A 41 -8.047 -7.905 -2.761 1.00 0.00 C ATOM 558 CG1 VAL A 41 -8.735 -9.007 -1.970 1.00 0.00 C ATOM 559 CG2 VAL A 41 -7.187 -7.042 -1.851 1.00 0.00 C ATOM 0 H VAL A 41 -7.065 -6.713 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.448 -9.169 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.817 -7.272 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.331 -8.564 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.384 -9.580 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.984 -9.668 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.804 -6.626 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.394 -7.650 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.746 -6.230 -2.430 1.00 0.00 H new ATOM 569 N SER A 42 -8.110 -10.621 -4.652 1.00 0.00 N ATOM 570 CA SER A 42 -8.930 -11.498 -5.479 1.00 0.00 C ATOM 571 C SER A 42 -9.715 -12.481 -4.615 1.00 0.00 C ATOM 572 O SER A 42 -9.628 -13.694 -4.802 1.00 0.00 O ATOM 573 CB SER A 42 -8.054 -12.262 -6.473 1.00 0.00 C ATOM 574 OG SER A 42 -8.826 -12.767 -7.549 1.00 0.00 O ATOM 0 H SER A 42 -7.558 -11.104 -3.944 1.00 0.00 H new ATOM 0 HA SER A 42 -9.638 -10.880 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.275 -11.603 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.553 -13.085 -5.963 1.00 0.00 H new ATOM 0 HG SER A 42 -8.243 -13.250 -8.171 1.00 0.00 H new ATOM 580 N ASN A 43 -10.481 -11.947 -3.670 1.00 0.00 N ATOM 581 CA ASN A 43 -11.282 -12.776 -2.776 1.00 0.00 C ATOM 582 C ASN A 43 -12.750 -12.764 -3.192 1.00 0.00 C ATOM 583 O ASN A 43 -13.129 -12.094 -4.153 1.00 0.00 O ATOM 584 CB ASN A 43 -11.145 -12.287 -1.333 1.00 0.00 C ATOM 585 CG ASN A 43 -9.774 -12.575 -0.752 1.00 0.00 C ATOM 586 OD1 ASN A 43 -9.027 -13.400 -1.276 1.00 0.00 O ATOM 587 ND2 ASN A 43 -9.438 -11.893 0.337 1.00 0.00 N ATOM 0 H ASN A 43 -10.564 -10.944 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.913 -13.799 -2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.334 -11.214 -1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.906 -12.766 -0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.528 -12.044 0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.090 -11.218 0.737 1.00 0.00 H new ATOM 594 N LYS A 44 -13.572 -13.510 -2.462 1.00 0.00 N ATOM 595 CA LYS A 44 -14.999 -13.585 -2.752 1.00 0.00 C ATOM 596 C LYS A 44 -15.659 -12.219 -2.593 1.00 0.00 C ATOM 597 O LYS A 44 -15.001 -11.240 -2.242 1.00 0.00 O ATOM 598 CB LYS A 44 -15.675 -14.601 -1.829 1.00 0.00 C ATOM 599 CG LYS A 44 -15.113 -16.006 -1.955 1.00 0.00 C ATOM 600 CD LYS A 44 -15.505 -16.872 -0.770 1.00 0.00 C ATOM 601 CE LYS A 44 -16.876 -17.500 -0.968 1.00 0.00 C ATOM 602 NZ LYS A 44 -17.001 -18.797 -0.246 1.00 0.00 N ATOM 0 H LYS A 44 -13.274 -14.072 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.118 -13.908 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.569 -14.268 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.742 -14.625 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.476 -16.463 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.027 -15.959 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.761 -17.656 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.508 -16.269 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.645 -16.812 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.053 -17.658 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.949 -19.193 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.284 -19.462 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.857 -18.643 0.772 1.00 0.00 H new ATOM 616 N GLU A 45 -16.962 -12.162 -2.852 1.00 0.00 N ATOM 617 CA GLU A 45 -17.709 -10.916 -2.736 1.00 0.00 C ATOM 618 C GLU A 45 -18.415 -10.828 -1.386 1.00 0.00 C ATOM 619 O GLU A 45 -19.522 -10.301 -1.285 1.00 0.00 O ATOM 620 CB GLU A 45 -18.733 -10.802 -3.867 1.00 0.00 C ATOM 621 CG GLU A 45 -18.109 -10.757 -5.251 1.00 0.00 C ATOM 622 CD GLU A 45 -17.896 -12.138 -5.841 1.00 0.00 C ATOM 623 OE1 GLU A 45 -16.830 -12.735 -5.582 1.00 0.00 O ATOM 624 OE2 GLU A 45 -18.795 -12.620 -6.561 1.00 0.00 O ATOM 0 H GLU A 45 -17.521 -12.964 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.001 -10.090 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.417 -11.649 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.329 -9.902 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.750 -10.177 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.152 -10.238 -5.197 1.00 0.00 H new ATOM 631 N ALA A 46 -17.764 -11.348 -0.350 1.00 0.00 N ATOM 632 CA ALA A 46 -18.328 -11.328 0.994 1.00 0.00 C ATOM 633 C ALA A 46 -17.685 -10.236 1.842 1.00 0.00 C ATOM 634 O ALA A 46 -17.633 -10.337 3.068 1.00 0.00 O ATOM 635 CB ALA A 46 -18.155 -12.685 1.659 1.00 0.00 C ATOM 0 H ALA A 46 -16.846 -11.788 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 46 -19.393 -11.109 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.581 -12.656 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.666 -13.447 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.094 -12.927 1.722 1.00 0.00 H new ATOM 641 N VAL A 47 -17.195 -9.191 1.182 1.00 0.00 N ATOM 642 CA VAL A 47 -16.556 -8.079 1.875 1.00 0.00 C ATOM 643 C VAL A 47 -17.505 -6.893 2.004 1.00 0.00 C ATOM 644 O VAL A 47 -18.190 -6.524 1.050 1.00 0.00 O ATOM 645 CB VAL A 47 -15.278 -7.623 1.146 1.00 0.00 C ATOM 646 CG1 VAL A 47 -14.554 -6.556 1.953 1.00 0.00 C ATOM 647 CG2 VAL A 47 -14.366 -8.811 0.877 1.00 0.00 C ATOM 0 H VAL A 47 -17.229 -9.092 0.167 1.00 0.00 H new ATOM 0 HA VAL A 47 -16.290 -8.437 2.869 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.563 -7.188 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.654 -6.246 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.209 -5.696 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.280 -6.960 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.468 -8.471 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.087 -9.277 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.889 -9.537 0.255 1.00 0.00 H new ATOM 657 N THR A 48 -17.541 -6.298 3.192 1.00 0.00 N ATOM 658 CA THR A 48 -18.407 -5.153 3.448 1.00 0.00 C ATOM 659 C THR A 48 -17.960 -3.937 2.645 1.00 0.00 C ATOM 660 O THR A 48 -18.779 -3.251 2.033 1.00 0.00 O ATOM 661 CB THR A 48 -18.428 -4.788 4.944 1.00 0.00 C ATOM 662 OG1 THR A 48 -17.107 -4.877 5.489 1.00 0.00 O ATOM 663 CG2 THR A 48 -19.362 -5.709 5.713 1.00 0.00 C ATOM 0 H THR A 48 -16.980 -6.590 3.993 1.00 0.00 H new ATOM 0 HA THR A 48 -19.412 -5.440 3.138 1.00 0.00 H new ATOM 0 HB THR A 48 -18.792 -3.765 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 48 -17.129 -4.642 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.360 -5.432 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 48 -20.373 -5.617 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.024 -6.740 5.608 1.00 0.00 H new ATOM 671 N SER A 49 -16.657 -3.675 2.652 1.00 0.00 N ATOM 672 CA SER A 49 -16.102 -2.538 1.926 1.00 0.00 C ATOM 673 C SER A 49 -16.291 -2.709 0.422 1.00 0.00 C ATOM 674 O SER A 49 -15.585 -3.487 -0.219 1.00 0.00 O ATOM 675 CB SER A 49 -14.616 -2.376 2.250 1.00 0.00 C ATOM 676 OG SER A 49 -14.431 -1.597 3.419 1.00 0.00 O ATOM 0 H SER A 49 -15.966 -4.234 3.152 1.00 0.00 H new ATOM 0 HA SER A 49 -16.635 -1.641 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.161 -3.357 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.107 -1.904 1.410 1.00 0.00 H new ATOM 0 HG SER A 49 -13.473 -1.510 3.606 1.00 0.00 H new ATOM 682 N MET A 50 -17.250 -1.975 -0.135 1.00 0.00 N ATOM 683 CA MET A 50 -17.532 -2.044 -1.564 1.00 0.00 C ATOM 684 C MET A 50 -16.714 -1.009 -2.330 1.00 0.00 C ATOM 685 O MET A 50 -16.585 0.136 -1.900 1.00 0.00 O ATOM 686 CB MET A 50 -19.023 -1.826 -1.822 1.00 0.00 C ATOM 687 CG MET A 50 -19.527 -0.468 -1.362 1.00 0.00 C ATOM 688 SD MET A 50 -21.271 -0.209 -1.741 1.00 0.00 S ATOM 689 CE MET A 50 -21.429 1.547 -1.424 1.00 0.00 C ATOM 0 H MET A 50 -17.844 -1.326 0.381 1.00 0.00 H new ATOM 0 HA MET A 50 -17.251 -3.036 -1.917 1.00 0.00 H new ATOM 0 HB2 MET A 50 -19.218 -1.935 -2.889 1.00 0.00 H new ATOM 0 HB3 MET A 50 -19.589 -2.606 -1.313 1.00 0.00 H new ATOM 0 HG2 MET A 50 -19.375 -0.374 -0.287 1.00 0.00 H new ATOM 0 HG3 MET A 50 -18.936 0.315 -1.837 1.00 0.00 H new ATOM 0 HE1 MET A 50 -22.456 1.860 -1.614 1.00 0.00 H new ATOM 0 HE2 MET A 50 -21.174 1.754 -0.385 1.00 0.00 H new ATOM 0 HE3 MET A 50 -20.754 2.097 -2.080 1.00 0.00 H new ATOM 699 N GLY A 51 -16.163 -1.421 -3.468 1.00 0.00 N ATOM 700 CA GLY A 51 -15.364 -0.517 -4.275 1.00 0.00 C ATOM 701 C GLY A 51 -14.034 -1.121 -4.678 1.00 0.00 C ATOM 702 O GLY A 51 -13.637 -1.046 -5.840 1.00 0.00 O ATOM 0 H GLY A 51 -16.256 -2.364 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.922 -0.245 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.188 0.403 -3.718 1.00 0.00 H new ATOM 706 N GLY A 52 -13.342 -1.722 -3.714 1.00 0.00 N ATOM 707 CA GLY A 52 -12.055 -2.331 -3.995 1.00 0.00 C ATOM 708 C GLY A 52 -10.923 -1.322 -3.992 1.00 0.00 C ATOM 709 O GLY A 52 -10.508 -0.841 -5.047 1.00 0.00 O ATOM 0 H GLY A 52 -13.650 -1.798 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.852 -3.103 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.095 -2.825 -4.966 1.00 0.00 H new ATOM 713 N LYS A 53 -10.423 -0.999 -2.805 1.00 0.00 N ATOM 714 CA LYS A 53 -9.333 -0.041 -2.668 1.00 0.00 C ATOM 715 C LYS A 53 -8.194 -0.627 -1.840 1.00 0.00 C ATOM 716 O LYS A 53 -8.213 -0.568 -0.610 1.00 0.00 O ATOM 717 CB LYS A 53 -9.838 1.249 -2.018 1.00 0.00 C ATOM 718 CG LYS A 53 -10.732 1.013 -0.812 1.00 0.00 C ATOM 719 CD LYS A 53 -11.315 2.314 -0.287 1.00 0.00 C ATOM 720 CE LYS A 53 -12.585 2.072 0.514 1.00 0.00 C ATOM 721 NZ LYS A 53 -12.288 1.690 1.922 1.00 0.00 N ATOM 0 H LYS A 53 -10.756 -1.387 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.955 0.185 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.982 1.851 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.388 1.829 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.541 0.335 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.159 0.525 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.579 2.817 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.532 2.980 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.198 2.973 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.169 1.284 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.179 1.534 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.724 0.816 1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.753 2.453 2.383 1.00 0.00 H new ATOM 735 N SER A 54 -7.202 -1.191 -2.522 1.00 0.00 N ATOM 736 CA SER A 54 -6.055 -1.790 -1.848 1.00 0.00 C ATOM 737 C SER A 54 -5.436 -0.811 -0.855 1.00 0.00 C ATOM 738 O SER A 54 -5.118 0.326 -1.204 1.00 0.00 O ATOM 739 CB SER A 54 -5.006 -2.227 -2.873 1.00 0.00 C ATOM 740 OG SER A 54 -5.574 -3.080 -3.852 1.00 0.00 O ATOM 0 H SER A 54 -7.169 -1.246 -3.540 1.00 0.00 H new ATOM 0 HA SER A 54 -6.403 -2.665 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.577 -1.349 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.190 -2.743 -2.366 1.00 0.00 H new ATOM 0 HG SER A 54 -5.164 -3.968 -3.790 1.00 0.00 H new ATOM 746 N SER A 55 -5.268 -1.261 0.384 1.00 0.00 N ATOM 747 CA SER A 55 -4.690 -0.425 1.429 1.00 0.00 C ATOM 748 C SER A 55 -3.213 -0.750 1.631 1.00 0.00 C ATOM 749 O SER A 55 -2.638 -1.559 0.902 1.00 0.00 O ATOM 750 CB SER A 55 -5.450 -0.617 2.743 1.00 0.00 C ATOM 751 OG SER A 55 -5.707 -1.989 2.988 1.00 0.00 O ATOM 0 H SER A 55 -5.524 -2.200 0.689 1.00 0.00 H new ATOM 0 HA SER A 55 -4.775 0.616 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.870 -0.200 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.391 -0.068 2.706 1.00 0.00 H new ATOM 0 HG SER A 55 -6.192 -2.085 3.834 1.00 0.00 H new ATOM 757 N CYS A 56 -2.604 -0.112 2.625 1.00 0.00 N ATOM 758 CA CYS A 56 -1.194 -0.331 2.924 1.00 0.00 C ATOM 759 C CYS A 56 -1.030 -1.172 4.186 1.00 0.00 C ATOM 760 O CYS A 56 -1.061 -0.666 5.308 1.00 0.00 O ATOM 761 CB CYS A 56 -0.473 1.008 3.093 1.00 0.00 C ATOM 762 SG CYS A 56 1.324 0.927 2.804 1.00 0.00 S ATOM 0 H CYS A 56 -3.065 0.561 3.237 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.751 -0.872 2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.909 1.732 2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.651 1.380 4.102 1.00 0.00 H new ATOM 767 N PRO A 57 -0.850 -2.489 4.001 1.00 0.00 N ATOM 768 CA PRO A 57 -0.677 -3.428 5.112 1.00 0.00 C ATOM 769 C PRO A 57 0.661 -3.246 5.822 1.00 0.00 C ATOM 770 O PRO A 57 0.913 -3.860 6.859 1.00 0.00 O ATOM 771 CB PRO A 57 -0.739 -4.798 4.432 1.00 0.00 C ATOM 772 CG PRO A 57 -0.314 -4.543 3.027 1.00 0.00 C ATOM 773 CD PRO A 57 -0.802 -3.161 2.691 1.00 0.00 C ATOM 0 HA PRO A 57 -1.431 -3.287 5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.078 -5.513 4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.745 -5.215 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.770 -4.609 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.741 -5.283 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.127 -2.652 2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.783 -3.185 2.216 1.00 0.00 H new ATOM 781 N VAL A 58 1.515 -2.399 5.257 1.00 0.00 N ATOM 782 CA VAL A 58 2.826 -2.134 5.837 1.00 0.00 C ATOM 783 C VAL A 58 2.729 -1.131 6.981 1.00 0.00 C ATOM 784 O VAL A 58 3.320 -1.324 8.043 1.00 0.00 O ATOM 785 CB VAL A 58 3.809 -1.598 4.780 1.00 0.00 C ATOM 786 CG1 VAL A 58 5.218 -1.525 5.350 1.00 0.00 C ATOM 787 CG2 VAL A 58 3.775 -2.467 3.532 1.00 0.00 C ATOM 0 H VAL A 58 1.322 -1.884 4.398 1.00 0.00 H new ATOM 0 HA VAL A 58 3.200 -3.083 6.221 1.00 0.00 H new ATOM 0 HB VAL A 58 3.502 -0.590 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.899 -1.144 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.228 -0.858 6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.538 -2.520 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.476 -2.074 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.056 -3.488 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.769 -2.463 3.113 1.00 0.00 H new ATOM 797 N CYS A 59 1.979 -0.057 6.756 1.00 0.00 N ATOM 798 CA CYS A 59 1.804 0.979 7.767 1.00 0.00 C ATOM 799 C CYS A 59 0.339 1.392 7.873 1.00 0.00 C ATOM 800 O CYS A 59 -0.185 1.586 8.970 1.00 0.00 O ATOM 801 CB CYS A 59 2.666 2.198 7.433 1.00 0.00 C ATOM 802 SG CYS A 59 2.487 2.789 5.720 1.00 0.00 S ATOM 0 H CYS A 59 1.483 0.118 5.882 1.00 0.00 H new ATOM 0 HA CYS A 59 2.120 0.572 8.728 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.409 3.009 8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.712 1.950 7.613 1.00 0.00 H new ATOM 807 N GLY A 60 -0.318 1.526 6.725 1.00 0.00 N ATOM 808 CA GLY A 60 -1.716 1.915 6.711 1.00 0.00 C ATOM 809 C GLY A 60 -1.913 3.351 6.267 1.00 0.00 C ATOM 810 O GLY A 60 -1.988 4.259 7.095 1.00 0.00 O ATOM 0 H GLY A 60 0.093 1.372 5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.268 1.253 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.136 1.785 7.708 1.00 0.00 H new ATOM 814 N ILE A 61 -1.996 3.557 4.957 1.00 0.00 N ATOM 815 CA ILE A 61 -2.185 4.893 4.405 1.00 0.00 C ATOM 816 C ILE A 61 -3.096 4.859 3.182 1.00 0.00 C ATOM 817 O ILE A 61 -2.669 4.490 2.088 1.00 0.00 O ATOM 818 CB ILE A 61 -0.842 5.536 4.013 1.00 0.00 C ATOM 819 CG1 ILE A 61 0.075 5.638 5.234 1.00 0.00 C ATOM 820 CG2 ILE A 61 -1.070 6.909 3.399 1.00 0.00 C ATOM 821 CD1 ILE A 61 -0.443 6.576 6.301 1.00 0.00 C ATOM 0 H ILE A 61 -1.935 2.816 4.258 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.651 5.494 5.186 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.357 4.904 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.204 4.645 5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.060 5.976 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.111 7.350 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.690 6.811 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.573 7.552 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.257 6.599 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.545 7.579 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.415 6.228 6.651 1.00 0.00 H new ATOM 833 N SER A 62 -4.352 5.248 3.375 1.00 0.00 N ATOM 834 CA SER A 62 -5.324 5.261 2.288 1.00 0.00 C ATOM 835 C SER A 62 -4.782 6.023 1.083 1.00 0.00 C ATOM 836 O SER A 62 -4.655 7.248 1.115 1.00 0.00 O ATOM 837 CB SER A 62 -6.637 5.892 2.757 1.00 0.00 C ATOM 838 OG SER A 62 -6.483 7.282 2.981 1.00 0.00 O ATOM 0 H SER A 62 -4.721 5.558 4.274 1.00 0.00 H new ATOM 0 HA SER A 62 -5.511 4.230 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.412 5.725 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.970 5.407 3.675 1.00 0.00 H new ATOM 0 HG SER A 62 -5.794 7.636 2.381 1.00 0.00 H new ATOM 844 N TYR A 63 -4.463 5.290 0.022 1.00 0.00 N ATOM 845 CA TYR A 63 -3.932 5.896 -1.193 1.00 0.00 C ATOM 846 C TYR A 63 -4.840 5.610 -2.386 1.00 0.00 C ATOM 847 O TYR A 63 -5.333 4.494 -2.551 1.00 0.00 O ATOM 848 CB TYR A 63 -2.523 5.373 -1.475 1.00 0.00 C ATOM 849 CG TYR A 63 -2.483 3.907 -1.843 1.00 0.00 C ATOM 850 CD1 TYR A 63 -2.541 2.923 -0.864 1.00 0.00 C ATOM 851 CD2 TYR A 63 -2.388 3.507 -3.170 1.00 0.00 C ATOM 852 CE1 TYR A 63 -2.503 1.583 -1.197 1.00 0.00 C ATOM 853 CE2 TYR A 63 -2.351 2.169 -3.512 1.00 0.00 C ATOM 854 CZ TYR A 63 -2.409 1.210 -2.521 1.00 0.00 C ATOM 855 OH TYR A 63 -2.373 -0.124 -2.856 1.00 0.00 O ATOM 0 H TYR A 63 -4.563 4.276 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.889 6.975 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.084 5.954 -2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.902 5.535 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.617 3.210 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.342 4.255 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.547 0.831 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.277 1.875 -4.549 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.659 -0.662 -2.088 1.00 0.00 H new ATOM 865 N SER A 64 -5.056 6.627 -3.214 1.00 0.00 N ATOM 866 CA SER A 64 -5.906 6.488 -4.390 1.00 0.00 C ATOM 867 C SER A 64 -5.124 5.899 -5.560 1.00 0.00 C ATOM 868 O SER A 64 -4.390 6.607 -6.250 1.00 0.00 O ATOM 869 CB SER A 64 -6.493 7.844 -4.785 1.00 0.00 C ATOM 870 OG SER A 64 -7.617 8.167 -3.985 1.00 0.00 O ATOM 0 H SER A 64 -4.654 7.556 -3.092 1.00 0.00 H new ATOM 0 HA SER A 64 -6.720 5.807 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.733 8.618 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.784 7.826 -5.835 1.00 0.00 H new ATOM 0 HG SER A 64 -7.972 9.039 -4.257 1.00 0.00 H new ATOM 876 N PHE A 65 -5.286 4.598 -5.778 1.00 0.00 N ATOM 877 CA PHE A 65 -4.594 3.912 -6.863 1.00 0.00 C ATOM 878 C PHE A 65 -5.360 4.059 -8.174 1.00 0.00 C ATOM 879 O PHE A 65 -5.809 3.072 -8.756 1.00 0.00 O ATOM 880 CB PHE A 65 -4.416 2.430 -6.527 1.00 0.00 C ATOM 881 CG PHE A 65 -3.437 1.726 -7.422 1.00 0.00 C ATOM 882 CD1 PHE A 65 -2.080 1.984 -7.327 1.00 0.00 C ATOM 883 CD2 PHE A 65 -3.876 0.806 -8.361 1.00 0.00 C ATOM 884 CE1 PHE A 65 -1.177 1.337 -8.149 1.00 0.00 C ATOM 885 CE2 PHE A 65 -2.978 0.156 -9.186 1.00 0.00 C ATOM 886 CZ PHE A 65 -1.627 0.423 -9.081 1.00 0.00 C ATOM 0 H PHE A 65 -5.891 3.998 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.612 4.371 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.083 2.338 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.383 1.931 -6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.723 2.700 -6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.931 0.595 -8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.121 1.546 -8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.332 -0.560 -9.912 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.924 -0.082 -9.727 1.00 0.00 H new ATOM 896 N GLU A 66 -5.506 5.298 -8.633 1.00 0.00 N ATOM 897 CA GLU A 66 -6.219 5.574 -9.874 1.00 0.00 C ATOM 898 C GLU A 66 -5.330 6.331 -10.856 1.00 0.00 C ATOM 899 O GLU A 66 -5.270 5.999 -12.040 1.00 0.00 O ATOM 900 CB GLU A 66 -7.488 6.382 -9.591 1.00 0.00 C ATOM 901 CG GLU A 66 -8.667 5.529 -9.154 1.00 0.00 C ATOM 902 CD GLU A 66 -9.655 6.296 -8.296 1.00 0.00 C ATOM 903 OE1 GLU A 66 -10.408 7.122 -8.852 1.00 0.00 O ATOM 904 OE2 GLU A 66 -9.674 6.069 -7.068 1.00 0.00 O ATOM 0 H GLU A 66 -5.140 6.126 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.497 4.620 -10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.275 7.117 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.764 6.936 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.179 5.144 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.300 4.667 -8.597 1.00 0.00 H new ATOM 911 N HIS A 67 -4.640 7.351 -10.355 1.00 0.00 N ATOM 912 CA HIS A 67 -3.753 8.157 -11.187 1.00 0.00 C ATOM 913 C HIS A 67 -2.342 8.187 -10.606 1.00 0.00 C ATOM 914 O HIS A 67 -1.722 9.247 -10.511 1.00 0.00 O ATOM 915 CB HIS A 67 -4.294 9.580 -11.317 1.00 0.00 C ATOM 916 CG HIS A 67 -4.643 10.211 -10.004 1.00 0.00 C ATOM 917 ND1 HIS A 67 -3.747 10.953 -9.264 1.00 0.00 N ATOM 918 CD2 HIS A 67 -5.799 10.209 -9.300 1.00 0.00 C ATOM 919 CE1 HIS A 67 -4.336 11.378 -8.161 1.00 0.00 C ATOM 920 NE2 HIS A 67 -5.582 10.941 -8.159 1.00 0.00 N ATOM 0 H HIS A 67 -4.678 7.639 -9.377 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.710 7.702 -12.176 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -3.551 10.198 -11.821 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.180 9.566 -11.951 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.780 11.144 -9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.721 9.722 -9.583 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.877 11.981 -7.391 1.00 0.00 H new ATOM 928 N LEU A 68 -1.842 7.019 -10.218 1.00 0.00 N ATOM 929 CA LEU A 68 -0.505 6.912 -9.646 1.00 0.00 C ATOM 930 C LEU A 68 0.404 6.072 -10.538 1.00 0.00 C ATOM 931 O LEU A 68 1.586 6.375 -10.695 1.00 0.00 O ATOM 932 CB LEU A 68 -0.575 6.297 -8.247 1.00 0.00 C ATOM 933 CG LEU A 68 0.765 5.950 -7.598 1.00 0.00 C ATOM 934 CD1 LEU A 68 1.599 7.205 -7.392 1.00 0.00 C ATOM 935 CD2 LEU A 68 0.547 5.230 -6.275 1.00 0.00 C ATOM 0 H LEU A 68 -2.342 6.133 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.086 7.916 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.104 6.991 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.176 5.389 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 68 1.308 5.283 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.549 6.939 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.785 7.680 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.061 7.897 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.512 4.991 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.017 5.873 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.010 4.310 -6.449 1.00 0.00 H new ATOM 947 N GLN A 69 -0.158 5.018 -11.121 1.00 0.00 N ATOM 948 CA GLN A 69 0.602 4.136 -11.998 1.00 0.00 C ATOM 949 C GLN A 69 0.280 4.416 -13.463 1.00 0.00 C ATOM 950 O GLN A 69 1.164 4.758 -14.248 1.00 0.00 O ATOM 951 CB GLN A 69 0.302 2.672 -11.669 1.00 0.00 C ATOM 952 CG GLN A 69 1.271 1.693 -12.312 1.00 0.00 C ATOM 953 CD GLN A 69 0.923 1.391 -13.756 1.00 0.00 C ATOM 954 OE1 GLN A 69 -0.249 1.259 -14.110 1.00 0.00 O ATOM 955 NE2 GLN A 69 1.942 1.279 -14.600 1.00 0.00 N ATOM 0 H GLN A 69 -1.136 4.754 -11.002 1.00 0.00 H new ATOM 0 HA GLN A 69 1.662 4.328 -11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.328 2.539 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.711 2.435 -11.995 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.280 2.102 -12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.275 0.764 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.898 1.396 -14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.769 1.076 -15.584 1.00 0.00 H new ATOM 964 N ALA A 70 -0.990 4.269 -13.823 1.00 0.00 N ATOM 965 CA ALA A 70 -1.428 4.508 -15.193 1.00 0.00 C ATOM 966 C ALA A 70 -1.986 5.918 -15.353 1.00 0.00 C ATOM 967 O ALA A 70 -2.160 6.641 -14.373 1.00 0.00 O ATOM 968 CB ALA A 70 -2.470 3.477 -15.601 1.00 0.00 C ATOM 0 H ALA A 70 -1.734 3.986 -13.185 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.561 4.412 -15.847 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.788 3.667 -16.626 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.039 2.478 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.330 3.546 -14.935 1.00 0.00 H new ATOM 974 N ASN A 71 -2.264 6.302 -16.594 1.00 0.00 N ATOM 975 CA ASN A 71 -2.801 7.627 -16.882 1.00 0.00 C ATOM 976 C ASN A 71 -4.052 7.530 -17.750 1.00 0.00 C ATOM 977 O ASN A 71 -4.000 7.042 -18.878 1.00 0.00 O ATOM 978 CB ASN A 71 -1.746 8.487 -17.582 1.00 0.00 C ATOM 979 CG ASN A 71 -0.722 9.048 -16.615 1.00 0.00 C ATOM 980 OD1 ASN A 71 0.070 8.306 -16.033 1.00 0.00 O ATOM 981 ND2 ASN A 71 -0.734 10.364 -16.438 1.00 0.00 N ATOM 0 H ASN A 71 -2.126 5.715 -17.417 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.072 8.095 -15.936 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.238 7.889 -18.339 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.238 9.309 -18.103 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.069 10.799 -15.799 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.408 10.940 -16.942 1.00 0.00 H new ATOM 988 N GLN A 72 -5.175 8.000 -17.215 1.00 0.00 N ATOM 989 CA GLN A 72 -6.439 7.966 -17.940 1.00 0.00 C ATOM 990 C GLN A 72 -6.764 9.334 -18.531 1.00 0.00 C ATOM 991 O GLN A 72 -6.993 10.298 -17.800 1.00 0.00 O ATOM 992 CB GLN A 72 -7.570 7.514 -17.015 1.00 0.00 C ATOM 993 CG GLN A 72 -8.760 6.922 -17.753 1.00 0.00 C ATOM 994 CD GLN A 72 -9.772 7.972 -18.166 1.00 0.00 C ATOM 995 OE1 GLN A 72 -10.638 8.359 -17.380 1.00 0.00 O ATOM 996 NE2 GLN A 72 -9.669 8.440 -19.405 1.00 0.00 N ATOM 0 H GLN A 72 -5.235 8.409 -16.282 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.341 7.252 -18.757 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.182 6.774 -16.315 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.907 8.365 -16.424 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.407 6.395 -18.639 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.247 6.184 -17.116 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.936 8.091 -20.023 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.323 9.148 -19.739 1.00 0.00 H new ATOM 1005 N HIS A 73 -6.784 9.411 -19.858 1.00 0.00 N ATOM 1006 CA HIS A 73 -7.082 10.661 -20.547 1.00 0.00 C ATOM 1007 C HIS A 73 -8.282 10.498 -21.474 1.00 0.00 C ATOM 1008 O HIS A 73 -8.365 9.533 -22.236 1.00 0.00 O ATOM 1009 CB HIS A 73 -5.865 11.130 -21.346 1.00 0.00 C ATOM 1010 CG HIS A 73 -4.832 11.823 -20.512 1.00 0.00 C ATOM 1011 ND1 HIS A 73 -4.257 11.251 -19.397 1.00 0.00 N ATOM 1012 CD2 HIS A 73 -4.269 13.048 -20.637 1.00 0.00 C ATOM 1013 CE1 HIS A 73 -3.387 12.094 -18.871 1.00 0.00 C ATOM 1014 NE2 HIS A 73 -3.375 13.192 -19.605 1.00 0.00 N ATOM 0 H HIS A 73 -6.597 8.622 -20.477 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.326 11.412 -19.796 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.408 10.270 -21.835 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.197 11.806 -22.134 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.483 13.776 -21.405 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.787 11.916 -17.991 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.796 14.014 -19.433 1.00 0.00 H new ATOM 1022 N LEU A 74 -9.211 11.445 -21.405 1.00 0.00 N ATOM 1023 CA LEU A 74 -10.408 11.406 -22.238 1.00 0.00 C ATOM 1024 C LEU A 74 -10.080 11.780 -23.680 1.00 0.00 C ATOM 1025 O LEU A 74 -10.304 10.996 -24.601 1.00 0.00 O ATOM 1026 CB LEU A 74 -11.471 12.355 -21.682 1.00 0.00 C ATOM 1027 CG LEU A 74 -12.179 11.896 -20.406 1.00 0.00 C ATOM 1028 CD1 LEU A 74 -11.282 12.102 -19.195 1.00 0.00 C ATOM 1029 CD2 LEU A 74 -13.495 12.639 -20.230 1.00 0.00 C ATOM 0 H LEU A 74 -9.158 12.250 -20.780 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.797 10.388 -22.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.002 13.319 -21.487 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.224 12.517 -22.453 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.395 10.831 -20.496 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.802 11.770 -18.296 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.366 11.524 -19.318 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.034 13.159 -19.101 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.985 12.300 -19.317 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.302 13.710 -20.162 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.142 12.441 -21.084 1.00 0.00 H new ATOM 1041 N ALA A 75 -9.546 12.983 -23.867 1.00 0.00 N ATOM 1042 CA ALA A 75 -9.183 13.459 -25.195 1.00 0.00 C ATOM 1043 C ALA A 75 -7.672 13.616 -25.329 1.00 0.00 C ATOM 1044 O ALA A 75 -7.002 14.074 -24.405 1.00 0.00 O ATOM 1045 CB ALA A 75 -9.880 14.779 -25.492 1.00 0.00 C ATOM 0 H ALA A 75 -9.356 13.645 -23.115 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.511 12.715 -25.921 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.599 15.123 -26.488 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.960 14.638 -25.448 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.581 15.523 -24.754 1.00 0.00 H new ATOM 1051 N ASN A 76 -7.142 13.230 -26.486 1.00 0.00 N ATOM 1052 CA ASN A 76 -5.709 13.327 -26.739 1.00 0.00 C ATOM 1053 C ASN A 76 -5.436 14.093 -28.030 1.00 0.00 C ATOM 1054 O ASN A 76 -6.362 14.552 -28.699 1.00 0.00 O ATOM 1055 CB ASN A 76 -5.090 11.930 -26.821 1.00 0.00 C ATOM 1056 CG ASN A 76 -5.425 11.224 -28.121 1.00 0.00 C ATOM 1057 OD1 ASN A 76 -6.477 11.461 -28.715 1.00 0.00 O ATOM 1058 ND2 ASN A 76 -4.529 10.352 -28.568 1.00 0.00 N ATOM 0 H ASN A 76 -7.683 12.848 -27.262 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.254 13.871 -25.911 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.007 12.009 -26.722 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.443 11.329 -25.983 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.699 9.846 -29.437 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.671 10.188 -28.042 1.00 0.00 H new ATOM 1065 N ILE A 77 -4.159 14.227 -28.373 1.00 0.00 N ATOM 1066 CA ILE A 77 -3.764 14.936 -29.583 1.00 0.00 C ATOM 1067 C ILE A 77 -2.987 14.023 -30.526 1.00 0.00 C ATOM 1068 O ILE A 77 -2.488 12.973 -30.120 1.00 0.00 O ATOM 1069 CB ILE A 77 -2.903 16.171 -29.257 1.00 0.00 C ATOM 1070 CG1 ILE A 77 -1.743 15.782 -28.338 1.00 0.00 C ATOM 1071 CG2 ILE A 77 -3.755 17.255 -28.615 1.00 0.00 C ATOM 1072 CD1 ILE A 77 -0.681 16.853 -28.220 1.00 0.00 C ATOM 0 H ILE A 77 -3.381 13.854 -27.830 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.682 15.262 -30.071 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.490 16.564 -30.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.135 15.559 -27.346 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.285 14.867 -28.712 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.133 18.121 -28.390 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.550 17.547 -29.301 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.194 16.874 -27.693 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.110 16.509 -27.553 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.262 17.060 -29.205 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.125 17.763 -27.817 1.00 0.00 H new ATOM 1084 N VAL A 78 -2.887 14.432 -31.787 1.00 0.00 N ATOM 1085 CA VAL A 78 -2.168 13.652 -32.788 1.00 0.00 C ATOM 1086 C VAL A 78 -0.688 14.018 -32.811 1.00 0.00 C ATOM 1087 O VAL A 78 0.156 13.207 -33.188 1.00 0.00 O ATOM 1088 CB VAL A 78 -2.759 13.863 -34.195 1.00 0.00 C ATOM 1089 CG1 VAL A 78 -1.980 13.063 -35.227 1.00 0.00 C ATOM 1090 CG2 VAL A 78 -4.232 13.484 -34.215 1.00 0.00 C ATOM 0 H VAL A 78 -3.294 15.298 -32.139 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.276 12.604 -32.510 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.675 14.919 -34.451 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.412 13.225 -36.215 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.939 13.387 -35.229 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.029 12.003 -34.979 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.634 13.639 -35.216 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.342 12.435 -33.938 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.777 14.106 -33.505 1.00 0.00 H new ATOM 1100 N GLU A 79 -0.381 15.246 -32.403 1.00 0.00 N ATOM 1101 CA GLU A 79 0.998 15.719 -32.378 1.00 0.00 C ATOM 1102 C GLU A 79 1.865 14.821 -31.501 1.00 0.00 C ATOM 1103 O GLU A 79 1.388 14.238 -30.528 1.00 0.00 O ATOM 1104 CB GLU A 79 1.056 17.160 -31.865 1.00 0.00 C ATOM 1105 CG GLU A 79 2.239 17.949 -32.401 1.00 0.00 C ATOM 1106 CD GLU A 79 1.985 19.444 -32.415 1.00 0.00 C ATOM 1107 OE1 GLU A 79 1.485 19.970 -31.398 1.00 0.00 O ATOM 1108 OE2 GLU A 79 2.286 20.088 -33.442 1.00 0.00 O ATOM 0 H GLU A 79 -1.068 15.930 -32.086 1.00 0.00 H new ATOM 0 HA GLU A 79 1.385 15.687 -33.396 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.134 17.672 -32.140 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.101 17.148 -30.776 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.117 17.739 -31.791 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.466 17.613 -33.413 1.00 0.00 H new TER 1115 GLU A 79 HETATM 1116 ZN ZN A 200 4.752 -9.310 -2.389 1.00 0.00 ZN HETATM 1117 ZN ZN A 400 3.052 2.263 3.532 1.00 0.00 ZN