USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 493 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN : amide:sc= -0.114 K(o=-5.8,f=-6.6!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -5.69! C(o=-5.8!,f=-5.6!) 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 9 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 10 GLN : amide:sc= 0.328 K(o=0.33,f=-0.98) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 172:sc= -0.904 (180deg=-1.1) USER MOD Single : A 24 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.4!) USER MOD Single : A 25 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.8!) USER MOD Single : A 26 SER OG : rot 42:sc= 0.761 USER MOD Single : A 38 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.9!) USER MOD Single : A 60 ASN : amide:sc= -1.85! X(o=-1.9!,f=-2.1) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0215 (180deg=-0.217) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -54:sc= 0.757 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.672 -11.132 -9.591 1.00 0.00 N ATOM 2 CA GLY A 1 -26.050 -10.838 -9.939 1.00 0.00 C ATOM 3 C GLY A 1 -26.403 -9.380 -9.725 1.00 0.00 C ATOM 4 O GLY A 1 -26.534 -8.619 -10.684 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.480 -12.141 -9.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.035 -10.558 -10.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.512 -10.908 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.222 -11.101 -10.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.714 -11.461 -9.340 1.00 0.00 H new ATOM 8 N SER A 2 -26.560 -8.989 -8.465 1.00 0.00 N ATOM 9 CA SER A 2 -26.906 -7.613 -8.128 1.00 0.00 C ATOM 10 C SER A 2 -25.808 -6.652 -8.572 1.00 0.00 C ATOM 11 O SER A 2 -24.753 -7.074 -9.046 1.00 0.00 O ATOM 12 CB SER A 2 -27.141 -7.477 -6.622 1.00 0.00 C ATOM 13 OG SER A 2 -28.499 -7.711 -6.294 1.00 0.00 O ATOM 0 H SER A 2 -26.453 -9.606 -7.660 1.00 0.00 H new ATOM 0 HA SER A 2 -27.824 -7.356 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.507 -8.184 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.852 -6.479 -6.294 1.00 0.00 H new ATOM 0 HG SER A 2 -28.622 -7.620 -5.326 1.00 0.00 H new ATOM 19 N SER A 3 -26.064 -5.357 -8.416 1.00 0.00 N ATOM 20 CA SER A 3 -25.099 -4.335 -8.804 1.00 0.00 C ATOM 21 C SER A 3 -23.726 -4.629 -8.207 1.00 0.00 C ATOM 22 O SER A 3 -23.614 -5.057 -7.059 1.00 0.00 O ATOM 23 CB SER A 3 -25.578 -2.954 -8.352 1.00 0.00 C ATOM 24 OG SER A 3 -25.116 -1.942 -9.229 1.00 0.00 O ATOM 0 H SER A 3 -26.931 -4.991 -8.024 1.00 0.00 H new ATOM 0 HA SER A 3 -25.013 -4.345 -9.891 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.667 -2.938 -8.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.221 -2.755 -7.342 1.00 0.00 H new ATOM 0 HG SER A 3 -25.437 -1.069 -8.919 1.00 0.00 H new ATOM 30 N GLY A 4 -22.682 -4.397 -8.997 1.00 0.00 N ATOM 31 CA GLY A 4 -21.330 -4.642 -8.531 1.00 0.00 C ATOM 32 C GLY A 4 -20.907 -3.676 -7.443 1.00 0.00 C ATOM 33 O GLY A 4 -20.301 -2.641 -7.722 1.00 0.00 O ATOM 0 H GLY A 4 -22.749 -4.044 -9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.258 -5.662 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.640 -4.563 -9.371 1.00 0.00 H new ATOM 37 N SER A 5 -21.228 -4.012 -6.197 1.00 0.00 N ATOM 38 CA SER A 5 -20.882 -3.163 -5.063 1.00 0.00 C ATOM 39 C SER A 5 -19.373 -3.142 -4.840 1.00 0.00 C ATOM 40 O SER A 5 -18.734 -4.190 -4.744 1.00 0.00 O ATOM 41 CB SER A 5 -21.589 -3.654 -3.798 1.00 0.00 C ATOM 42 OG SER A 5 -22.926 -3.185 -3.746 1.00 0.00 O ATOM 0 H SER A 5 -21.727 -4.866 -5.948 1.00 0.00 H new ATOM 0 HA SER A 5 -21.213 -2.149 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.581 -4.744 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.046 -3.311 -2.918 1.00 0.00 H new ATOM 0 HG SER A 5 -23.356 -3.514 -2.929 1.00 0.00 H new ATOM 48 N SER A 6 -18.810 -1.941 -4.760 1.00 0.00 N ATOM 49 CA SER A 6 -17.375 -1.781 -4.553 1.00 0.00 C ATOM 50 C SER A 6 -17.096 -0.793 -3.425 1.00 0.00 C ATOM 51 O SER A 6 -17.169 0.421 -3.616 1.00 0.00 O ATOM 52 CB SER A 6 -16.702 -1.306 -5.842 1.00 0.00 C ATOM 53 OG SER A 6 -16.738 -2.313 -6.838 1.00 0.00 O ATOM 0 H SER A 6 -19.325 -1.064 -4.835 1.00 0.00 H new ATOM 0 HA SER A 6 -16.963 -2.750 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.203 -0.410 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.668 -1.031 -5.636 1.00 0.00 H new ATOM 0 HG SER A 6 -16.303 -1.984 -7.652 1.00 0.00 H new ATOM 59 N GLY A 7 -16.776 -1.322 -2.248 1.00 0.00 N ATOM 60 CA GLY A 7 -16.490 -0.473 -1.106 1.00 0.00 C ATOM 61 C GLY A 7 -15.044 -0.565 -0.663 1.00 0.00 C ATOM 62 O GLY A 7 -14.407 -1.609 -0.807 1.00 0.00 O ATOM 0 H GLY A 7 -16.710 -2.323 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.724 0.561 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.139 -0.754 -0.277 1.00 0.00 H new ATOM 66 N CYS A 8 -14.522 0.531 -0.123 1.00 0.00 N ATOM 67 CA CYS A 8 -13.140 0.572 0.341 1.00 0.00 C ATOM 68 C CYS A 8 -12.923 -0.410 1.489 1.00 0.00 C ATOM 69 O CYS A 8 -13.781 -0.566 2.358 1.00 0.00 O ATOM 70 CB CYS A 8 -12.772 1.987 0.790 1.00 0.00 C ATOM 71 SG CYS A 8 -11.206 2.091 1.714 1.00 0.00 S ATOM 0 H CYS A 8 -15.035 1.403 0.004 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.496 0.283 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.707 2.630 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.576 2.379 1.413 1.00 0.00 H new ATOM 76 N HIS A 9 -11.769 -1.070 1.485 1.00 0.00 N ATOM 77 CA HIS A 9 -11.438 -2.037 2.526 1.00 0.00 C ATOM 78 C HIS A 9 -10.708 -1.361 3.683 1.00 0.00 C ATOM 79 O HIS A 9 -10.931 -1.691 4.847 1.00 0.00 O ATOM 80 CB HIS A 9 -10.576 -3.162 1.952 1.00 0.00 C ATOM 81 CG HIS A 9 -10.453 -4.346 2.861 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.542 -5.043 3.339 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.361 -4.956 3.377 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.125 -6.030 4.112 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.805 -5.999 4.151 1.00 0.00 N ATOM 0 H HIS A 9 -11.048 -0.953 0.773 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.369 -2.460 2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.002 -3.486 1.002 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.580 -2.773 1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.332 -4.675 3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.756 -6.741 4.625 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.212 -6.645 4.672 1.00 0.00 H new ATOM 94 N GLN A 10 -9.835 -0.414 3.353 1.00 0.00 N ATOM 95 CA GLN A 10 -9.071 0.307 4.365 1.00 0.00 C ATOM 96 C GLN A 10 -9.978 0.779 5.496 1.00 0.00 C ATOM 97 O GLN A 10 -9.916 0.263 6.612 1.00 0.00 O ATOM 98 CB GLN A 10 -8.354 1.503 3.736 1.00 0.00 C ATOM 99 CG GLN A 10 -7.453 2.250 4.707 1.00 0.00 C ATOM 100 CD GLN A 10 -6.142 1.531 4.958 1.00 0.00 C ATOM 101 OE1 GLN A 10 -6.113 0.466 5.576 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.047 2.109 4.478 1.00 0.00 N ATOM 0 H GLN A 10 -9.639 -0.128 2.394 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.329 -0.375 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.757 1.156 2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.097 2.194 3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.247 3.245 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.977 2.383 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.116 2.992 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.137 1.670 4.616 1.00 0.00 H new ATOM 111 N CYS A 11 -10.819 1.765 5.202 1.00 0.00 N ATOM 112 CA CYS A 11 -11.738 2.309 6.194 1.00 0.00 C ATOM 113 C CYS A 11 -13.045 1.523 6.213 1.00 0.00 C ATOM 114 O CYS A 11 -13.590 1.229 7.276 1.00 0.00 O ATOM 115 CB CYS A 11 -12.021 3.784 5.902 1.00 0.00 C ATOM 116 SG CYS A 11 -12.834 4.082 4.299 1.00 0.00 S ATOM 0 H CYS A 11 -10.883 2.204 4.283 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.269 2.223 7.174 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.649 4.187 6.696 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.081 4.335 5.929 1.00 0.00 H new ATOM 121 N GLY A 12 -13.544 1.184 5.028 1.00 0.00 N ATOM 122 CA GLY A 12 -14.783 0.435 4.930 1.00 0.00 C ATOM 123 C GLY A 12 -15.863 1.195 4.187 1.00 0.00 C ATOM 124 O GLY A 12 -16.633 0.607 3.428 1.00 0.00 O ATOM 0 H GLY A 12 -13.112 1.415 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.593 -0.510 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.138 0.193 5.932 1.00 0.00 H new ATOM 128 N GLU A 13 -15.921 2.505 4.406 1.00 0.00 N ATOM 129 CA GLU A 13 -16.917 3.345 3.752 1.00 0.00 C ATOM 130 C GLU A 13 -17.016 3.015 2.266 1.00 0.00 C ATOM 131 O GLU A 13 -16.053 2.549 1.656 1.00 0.00 O ATOM 132 CB GLU A 13 -16.569 4.824 3.936 1.00 0.00 C ATOM 133 CG GLU A 13 -16.427 5.240 5.390 1.00 0.00 C ATOM 134 CD GLU A 13 -17.761 5.317 6.108 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.460 4.285 6.175 1.00 0.00 O ATOM 136 OE2 GLU A 13 -18.105 6.411 6.602 1.00 0.00 O ATOM 0 H GLU A 13 -15.290 3.007 5.031 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.883 3.146 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.636 5.037 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.343 5.432 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.781 4.529 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.935 6.212 5.440 1.00 0.00 H new ATOM 143 N PHE A 14 -18.187 3.260 1.688 1.00 0.00 N ATOM 144 CA PHE A 14 -18.414 2.988 0.273 1.00 0.00 C ATOM 145 C PHE A 14 -17.770 4.063 -0.597 1.00 0.00 C ATOM 146 O PHE A 14 -17.830 5.252 -0.280 1.00 0.00 O ATOM 147 CB PHE A 14 -19.914 2.909 -0.019 1.00 0.00 C ATOM 148 CG PHE A 14 -20.240 2.169 -1.285 1.00 0.00 C ATOM 149 CD1 PHE A 14 -19.981 0.812 -1.396 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.805 2.830 -2.363 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.280 0.129 -2.559 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.106 2.152 -3.530 1.00 0.00 C ATOM 153 CZ PHE A 14 -20.844 0.799 -3.627 1.00 0.00 C ATOM 0 H PHE A 14 -18.994 3.647 2.178 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.954 2.029 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.414 2.420 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.317 3.920 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.541 0.283 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.013 3.887 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.073 -0.928 -2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.545 2.679 -4.364 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.080 0.266 -4.536 1.00 0.00 H new ATOM 163 N ILE A 15 -17.155 3.637 -1.695 1.00 0.00 N ATOM 164 CA ILE A 15 -16.501 4.563 -2.612 1.00 0.00 C ATOM 165 C ILE A 15 -17.483 5.094 -3.650 1.00 0.00 C ATOM 166 O ILE A 15 -18.203 4.325 -4.288 1.00 0.00 O ATOM 167 CB ILE A 15 -15.316 3.896 -3.335 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.448 3.128 -2.337 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.490 4.940 -4.071 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.632 2.023 -2.970 1.00 0.00 C ATOM 0 H ILE A 15 -17.096 2.657 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.128 5.393 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.707 3.189 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.775 3.827 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.088 2.700 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.656 4.454 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.115 5.446 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.106 5.669 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.041 1.522 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.300 1.302 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.966 2.447 -3.721 1.00 0.00 H new ATOM 182 N ILE A 16 -17.505 6.412 -3.816 1.00 0.00 N ATOM 183 CA ILE A 16 -18.397 7.045 -4.780 1.00 0.00 C ATOM 184 C ILE A 16 -17.634 8.004 -5.687 1.00 0.00 C ATOM 185 O ILE A 16 -17.189 9.065 -5.252 1.00 0.00 O ATOM 186 CB ILE A 16 -19.531 7.815 -4.077 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.218 6.921 -3.042 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.538 8.323 -5.098 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.242 7.649 -2.200 1.00 0.00 C ATOM 0 H ILE A 16 -16.916 7.062 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.830 6.246 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.102 8.674 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.705 6.092 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.461 6.490 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.333 8.865 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.039 8.990 -5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.965 7.479 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.688 6.954 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.757 8.461 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -22.020 8.057 -2.845 1.00 0.00 H new ATOM 201 N GLY A 17 -17.487 7.623 -6.953 1.00 0.00 N ATOM 202 CA GLY A 17 -16.779 8.461 -7.902 1.00 0.00 C ATOM 203 C GLY A 17 -15.516 7.805 -8.425 1.00 0.00 C ATOM 204 O GLY A 17 -15.468 7.363 -9.573 1.00 0.00 O ATOM 0 H GLY A 17 -17.846 6.749 -7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.438 8.693 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.523 9.407 -7.426 1.00 0.00 H new ATOM 208 N ARG A 18 -14.491 7.743 -7.582 1.00 0.00 N ATOM 209 CA ARG A 18 -13.221 7.139 -7.966 1.00 0.00 C ATOM 210 C ARG A 18 -12.918 5.916 -7.105 1.00 0.00 C ATOM 211 O ARG A 18 -12.792 6.019 -5.885 1.00 0.00 O ATOM 212 CB ARG A 18 -12.088 8.159 -7.839 1.00 0.00 C ATOM 213 CG ARG A 18 -10.705 7.531 -7.798 1.00 0.00 C ATOM 214 CD ARG A 18 -9.636 8.504 -8.272 1.00 0.00 C ATOM 215 NE ARG A 18 -8.522 7.820 -8.923 1.00 0.00 N ATOM 216 CZ ARG A 18 -8.456 7.604 -10.232 1.00 0.00 C ATOM 217 NH1 ARG A 18 -9.435 8.018 -11.025 1.00 0.00 N ATOM 218 NH2 ARG A 18 -7.410 6.974 -10.750 1.00 0.00 N ATOM 0 H ARG A 18 -14.515 8.104 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.299 6.820 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.138 8.852 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.238 8.746 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.480 7.209 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.691 6.639 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.078 9.218 -8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.263 9.075 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.752 7.490 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.241 8.503 -10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.382 7.851 -12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.655 6.655 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.361 6.809 -11.755 1.00 0.00 H new ATOM 232 N VAL A 19 -12.802 4.760 -7.750 1.00 0.00 N ATOM 233 CA VAL A 19 -12.513 3.517 -7.044 1.00 0.00 C ATOM 234 C VAL A 19 -11.134 2.983 -7.414 1.00 0.00 C ATOM 235 O VAL A 19 -10.869 2.668 -8.575 1.00 0.00 O ATOM 236 CB VAL A 19 -13.568 2.438 -7.352 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.019 1.052 -7.051 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.842 2.699 -6.562 1.00 0.00 C ATOM 0 H VAL A 19 -12.904 4.658 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.538 3.745 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.810 2.483 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.779 0.303 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.137 0.869 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.747 0.989 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.577 1.927 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.619 2.682 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.244 3.675 -6.833 1.00 0.00 H new ATOM 248 N ILE A 20 -10.258 2.882 -6.419 1.00 0.00 N ATOM 249 CA ILE A 20 -8.906 2.384 -6.640 1.00 0.00 C ATOM 250 C ILE A 20 -8.835 0.875 -6.432 1.00 0.00 C ATOM 251 O ILE A 20 -8.930 0.387 -5.305 1.00 0.00 O ATOM 252 CB ILE A 20 -7.894 3.069 -5.702 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.127 4.581 -5.682 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.471 2.752 -6.137 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.896 5.246 -7.020 1.00 0.00 C ATOM 0 H ILE A 20 -10.461 3.138 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.648 2.618 -7.673 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.038 2.685 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.149 4.779 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.466 5.032 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.767 3.243 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.312 1.674 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.313 3.112 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.080 6.317 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.866 5.080 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.575 4.822 -7.759 1.00 0.00 H new ATOM 267 N LYS A 21 -8.665 0.140 -7.525 1.00 0.00 N ATOM 268 CA LYS A 21 -8.578 -1.314 -7.464 1.00 0.00 C ATOM 269 C LYS A 21 -7.159 -1.760 -7.128 1.00 0.00 C ATOM 270 O LYS A 21 -6.220 -1.491 -7.877 1.00 0.00 O ATOM 271 CB LYS A 21 -9.015 -1.928 -8.796 1.00 0.00 C ATOM 272 CG LYS A 21 -10.519 -1.915 -9.007 1.00 0.00 C ATOM 273 CD LYS A 21 -11.169 -3.178 -8.466 1.00 0.00 C ATOM 274 CE LYS A 21 -12.611 -2.928 -8.049 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.216 -4.125 -7.402 1.00 0.00 N ATOM 0 H LYS A 21 -8.585 0.528 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.246 -1.660 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.537 -1.384 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.658 -2.957 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.949 -1.043 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.737 -1.819 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.139 -3.958 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.600 -3.544 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.649 -2.084 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.199 -2.651 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.198 -3.915 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.203 -4.923 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.670 -4.374 -6.553 1.00 0.00 H new ATOM 289 N ALA A 22 -7.010 -2.445 -5.998 1.00 0.00 N ATOM 290 CA ALA A 22 -5.706 -2.931 -5.566 1.00 0.00 C ATOM 291 C ALA A 22 -5.847 -4.143 -4.652 1.00 0.00 C ATOM 292 O ALA A 22 -6.939 -4.444 -4.170 1.00 0.00 O ATOM 293 CB ALA A 22 -4.936 -1.823 -4.861 1.00 0.00 C ATOM 0 H ALA A 22 -7.777 -2.675 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.150 -3.239 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.964 -2.200 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.795 -0.986 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.497 -1.488 -3.989 1.00 0.00 H new ATOM 299 N MET A 23 -4.737 -4.835 -4.418 1.00 0.00 N ATOM 300 CA MET A 23 -4.739 -6.015 -3.561 1.00 0.00 C ATOM 301 C MET A 23 -5.988 -6.858 -3.798 1.00 0.00 C ATOM 302 O MET A 23 -6.440 -7.577 -2.908 1.00 0.00 O ATOM 303 CB MET A 23 -4.659 -5.602 -2.089 1.00 0.00 C ATOM 304 CG MET A 23 -3.443 -4.751 -1.761 1.00 0.00 C ATOM 305 SD MET A 23 -3.096 -4.688 0.007 1.00 0.00 S ATOM 306 CE MET A 23 -1.629 -5.711 0.100 1.00 0.00 C ATOM 0 H MET A 23 -3.825 -4.599 -4.809 1.00 0.00 H new ATOM 0 HA MET A 23 -3.865 -6.616 -3.811 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.561 -5.049 -1.826 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.643 -6.498 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.574 -5.150 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.602 -3.739 -2.132 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.210 -5.655 1.105 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.891 -6.744 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.892 -5.357 -0.621 1.00 0.00 H new ATOM 316 N ASN A 24 -6.539 -6.763 -5.003 1.00 0.00 N ATOM 317 CA ASN A 24 -7.737 -7.517 -5.357 1.00 0.00 C ATOM 318 C ASN A 24 -8.948 -7.010 -4.580 1.00 0.00 C ATOM 319 O ASN A 24 -9.736 -7.796 -4.056 1.00 0.00 O ATOM 320 CB ASN A 24 -7.527 -9.007 -5.080 1.00 0.00 C ATOM 321 CG ASN A 24 -8.615 -9.868 -5.693 1.00 0.00 C ATOM 322 OD1 ASN A 24 -9.702 -9.383 -6.007 1.00 0.00 O ATOM 323 ND2 ASN A 24 -8.326 -11.152 -5.866 1.00 0.00 N ATOM 0 H ASN A 24 -6.176 -6.172 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.925 -7.375 -6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.559 -9.314 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.499 -9.173 -4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.018 -11.780 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.412 -11.510 -5.591 1.00 0.00 H new ATOM 330 N ASN A 25 -9.089 -5.690 -4.510 1.00 0.00 N ATOM 331 CA ASN A 25 -10.204 -5.077 -3.797 1.00 0.00 C ATOM 332 C ASN A 25 -10.290 -3.585 -4.102 1.00 0.00 C ATOM 333 O ASN A 25 -9.353 -2.995 -4.639 1.00 0.00 O ATOM 334 CB ASN A 25 -10.053 -5.293 -2.290 1.00 0.00 C ATOM 335 CG ASN A 25 -10.462 -6.690 -1.862 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.512 -7.191 -2.263 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.630 -7.324 -1.044 1.00 0.00 N ATOM 0 H ASN A 25 -8.445 -5.025 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.125 -5.553 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.016 -5.117 -2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.660 -4.561 -1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.851 -8.266 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.770 -6.869 -0.738 1.00 0.00 H new ATOM 344 N SER A 26 -11.421 -2.980 -3.754 1.00 0.00 N ATOM 345 CA SER A 26 -11.632 -1.557 -3.993 1.00 0.00 C ATOM 346 C SER A 26 -11.160 -0.730 -2.801 1.00 0.00 C ATOM 347 O SER A 26 -11.280 -1.154 -1.652 1.00 0.00 O ATOM 348 CB SER A 26 -13.111 -1.277 -4.269 1.00 0.00 C ATOM 349 OG SER A 26 -13.930 -1.808 -3.241 1.00 0.00 O ATOM 0 H SER A 26 -12.206 -3.453 -3.306 1.00 0.00 H new ATOM 0 HA SER A 26 -11.047 -1.271 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.272 -0.202 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.395 -1.714 -5.227 1.00 0.00 H new ATOM 0 HG SER A 26 -13.516 -1.633 -2.370 1.00 0.00 H new ATOM 355 N TRP A 27 -10.623 0.452 -3.085 1.00 0.00 N ATOM 356 CA TRP A 27 -10.133 1.339 -2.036 1.00 0.00 C ATOM 357 C TRP A 27 -10.275 2.800 -2.449 1.00 0.00 C ATOM 358 O TRP A 27 -10.625 3.101 -3.591 1.00 0.00 O ATOM 359 CB TRP A 27 -8.670 1.026 -1.718 1.00 0.00 C ATOM 360 CG TRP A 27 -8.371 -0.442 -1.683 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.532 -1.336 -2.703 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.861 -1.187 -0.571 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.153 -2.591 -2.292 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.736 -2.526 -0.988 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.495 -0.851 0.735 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.263 -3.527 -0.145 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -7.026 -1.847 1.572 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.913 -3.171 1.129 1.00 0.00 C ATOM 0 H TRP A 27 -10.516 0.817 -4.031 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.735 1.173 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.034 1.501 -2.464 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.413 1.465 -0.754 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.903 -1.092 -3.688 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.178 -3.435 -2.865 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.577 0.168 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.175 -4.549 -0.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.742 -1.600 2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.542 -3.926 1.807 1.00 0.00 H new ATOM 379 N HIS A 28 -10.000 3.704 -1.514 1.00 0.00 N ATOM 380 CA HIS A 28 -10.097 5.135 -1.783 1.00 0.00 C ATOM 381 C HIS A 28 -8.768 5.683 -2.293 1.00 0.00 C ATOM 382 O HIS A 28 -7.704 5.104 -2.071 1.00 0.00 O ATOM 383 CB HIS A 28 -10.520 5.885 -0.519 1.00 0.00 C ATOM 384 CG HIS A 28 -11.976 5.744 -0.198 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.437 5.277 1.015 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.076 6.013 -0.939 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.758 5.263 1.005 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.171 5.706 -0.169 1.00 0.00 N ATOM 0 H HIS A 28 -9.709 3.472 -0.565 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.852 5.284 -2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.933 5.519 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.283 6.942 -0.637 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.090 6.398 -1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.393 4.944 1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.145 5.804 -0.457 1.00 0.00 H new ATOM 396 N PRO A 29 -8.828 6.824 -2.994 1.00 0.00 N ATOM 397 CA PRO A 29 -7.638 7.475 -3.551 1.00 0.00 C ATOM 398 C PRO A 29 -6.744 8.072 -2.469 1.00 0.00 C ATOM 399 O PRO A 29 -5.696 8.645 -2.764 1.00 0.00 O ATOM 400 CB PRO A 29 -8.219 8.582 -4.434 1.00 0.00 C ATOM 401 CG PRO A 29 -9.555 8.874 -3.845 1.00 0.00 C ATOM 402 CD PRO A 29 -10.062 7.569 -3.297 1.00 0.00 C ATOM 0 HA PRO A 29 -7.003 6.771 -4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.583 9.467 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.306 8.257 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.479 9.624 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.235 9.271 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.671 7.717 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.682 7.042 -4.023 1.00 0.00 H new ATOM 410 N GLU A 30 -7.165 7.932 -1.216 1.00 0.00 N ATOM 411 CA GLU A 30 -6.402 8.459 -0.091 1.00 0.00 C ATOM 412 C GLU A 30 -6.106 7.361 0.928 1.00 0.00 C ATOM 413 O GLU A 30 -5.119 7.428 1.661 1.00 0.00 O ATOM 414 CB GLU A 30 -7.165 9.601 0.582 1.00 0.00 C ATOM 415 CG GLU A 30 -8.437 9.155 1.283 1.00 0.00 C ATOM 416 CD GLU A 30 -8.873 10.118 2.370 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.235 10.128 3.444 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.852 10.860 2.148 1.00 0.00 O ATOM 0 H GLU A 30 -8.030 7.458 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.456 8.840 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.511 10.085 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.418 10.350 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.236 9.056 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.280 8.168 1.719 1.00 0.00 H new ATOM 425 N CYS A 31 -6.969 6.351 0.967 1.00 0.00 N ATOM 426 CA CYS A 31 -6.803 5.239 1.895 1.00 0.00 C ATOM 427 C CYS A 31 -5.664 4.326 1.452 1.00 0.00 C ATOM 428 O CYS A 31 -4.753 4.030 2.226 1.00 0.00 O ATOM 429 CB CYS A 31 -8.102 4.437 2.000 1.00 0.00 C ATOM 430 SG CYS A 31 -9.377 5.220 3.039 1.00 0.00 S ATOM 0 H CYS A 31 -7.790 6.280 0.366 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.556 5.649 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.506 4.287 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.876 3.450 2.403 1.00 0.00 H new ATOM 435 N PHE A 32 -5.720 3.883 0.200 1.00 0.00 N ATOM 436 CA PHE A 32 -4.694 3.004 -0.347 1.00 0.00 C ATOM 437 C PHE A 32 -3.327 3.681 -0.321 1.00 0.00 C ATOM 438 O PHE A 32 -2.955 4.389 -1.256 1.00 0.00 O ATOM 439 CB PHE A 32 -5.048 2.601 -1.780 1.00 0.00 C ATOM 440 CG PHE A 32 -4.223 1.460 -2.304 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.272 0.216 -1.697 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.398 1.633 -3.403 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.513 -0.835 -2.176 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.636 0.586 -3.888 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.695 -0.650 -3.274 1.00 0.00 C ATOM 0 H PHE A 32 -6.466 4.119 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.649 2.110 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.102 2.326 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.918 3.463 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.911 0.066 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.349 2.597 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.559 -1.800 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.996 0.734 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.103 -1.470 -3.652 1.00 0.00 H new ATOM 455 N ARG A 33 -2.584 3.458 0.758 1.00 0.00 N ATOM 456 CA ARG A 33 -1.259 4.047 0.909 1.00 0.00 C ATOM 457 C ARG A 33 -0.208 2.968 1.149 1.00 0.00 C ATOM 458 O ARG A 33 -0.538 1.800 1.357 1.00 0.00 O ATOM 459 CB ARG A 33 -1.251 5.049 2.065 1.00 0.00 C ATOM 460 CG ARG A 33 -2.327 6.117 1.954 1.00 0.00 C ATOM 461 CD ARG A 33 -2.141 7.206 2.998 1.00 0.00 C ATOM 462 NE ARG A 33 -1.337 8.316 2.494 1.00 0.00 N ATOM 463 CZ ARG A 33 -0.707 9.183 3.279 1.00 0.00 C ATOM 464 NH1 ARG A 33 -0.787 9.069 4.597 1.00 0.00 N ATOM 465 NH2 ARG A 33 0.005 10.167 2.745 1.00 0.00 N ATOM 0 H ARG A 33 -2.877 2.873 1.541 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.014 4.569 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.382 4.509 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.275 5.532 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.301 6.558 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.309 5.660 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.116 7.578 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.662 6.783 3.881 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.255 8.432 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.333 8.314 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.302 9.736 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.069 10.258 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.488 10.832 3.348 1.00 0.00 H new ATOM 479 N CYS A 34 1.060 3.366 1.119 1.00 0.00 N ATOM 480 CA CYS A 34 2.160 2.434 1.333 1.00 0.00 C ATOM 481 C CYS A 34 2.107 1.843 2.739 1.00 0.00 C ATOM 482 O CYS A 34 1.360 2.317 3.595 1.00 0.00 O ATOM 483 CB CYS A 34 3.501 3.137 1.114 1.00 0.00 C ATOM 484 SG CYS A 34 4.912 2.002 0.917 1.00 0.00 S ATOM 0 H CYS A 34 1.351 4.329 0.948 1.00 0.00 H new ATOM 0 HA CYS A 34 2.061 1.622 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.428 3.767 0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.695 3.798 1.959 1.00 0.00 H new ATOM 489 N ASP A 35 2.904 0.805 2.968 1.00 0.00 N ATOM 490 CA ASP A 35 2.949 0.149 4.270 1.00 0.00 C ATOM 491 C ASP A 35 4.226 0.516 5.019 1.00 0.00 C ATOM 492 O ASP A 35 4.420 0.118 6.169 1.00 0.00 O ATOM 493 CB ASP A 35 2.860 -1.369 4.103 1.00 0.00 C ATOM 494 CG ASP A 35 2.792 -2.094 5.432 1.00 0.00 C ATOM 495 OD1 ASP A 35 1.725 -2.048 6.080 1.00 0.00 O ATOM 496 OD2 ASP A 35 3.806 -2.709 5.824 1.00 0.00 O ATOM 0 H ASP A 35 3.527 0.400 2.270 1.00 0.00 H new ATOM 0 HA ASP A 35 2.095 0.494 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.978 -1.616 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.727 -1.722 3.544 1.00 0.00 H new ATOM 501 N LEU A 36 5.094 1.277 4.362 1.00 0.00 N ATOM 502 CA LEU A 36 6.354 1.697 4.965 1.00 0.00 C ATOM 503 C LEU A 36 6.421 3.217 5.081 1.00 0.00 C ATOM 504 O LEU A 36 6.995 3.753 6.030 1.00 0.00 O ATOM 505 CB LEU A 36 7.534 1.185 4.139 1.00 0.00 C ATOM 506 CG LEU A 36 7.729 -0.332 4.115 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.353 -0.769 2.799 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.588 -0.777 5.289 1.00 0.00 C ATOM 0 H LEU A 36 4.948 1.616 3.411 1.00 0.00 H new ATOM 0 HA LEU A 36 6.409 1.271 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.411 1.532 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.446 1.642 4.523 1.00 0.00 H new ATOM 0 HG LEU A 36 6.752 -0.807 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.484 -1.851 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.700 -0.483 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.323 -0.286 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.716 -1.859 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.563 -0.294 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.101 -0.498 6.223 1.00 0.00 H new ATOM 520 N CYS A 37 5.830 3.906 4.111 1.00 0.00 N ATOM 521 CA CYS A 37 5.820 5.364 4.105 1.00 0.00 C ATOM 522 C CYS A 37 4.394 5.898 4.012 1.00 0.00 C ATOM 523 O CYS A 37 4.169 7.107 4.070 1.00 0.00 O ATOM 524 CB CYS A 37 6.653 5.895 2.936 1.00 0.00 C ATOM 525 SG CYS A 37 5.927 5.569 1.297 1.00 0.00 S ATOM 0 H CYS A 37 5.351 3.478 3.318 1.00 0.00 H new ATOM 0 HA CYS A 37 6.258 5.710 5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.784 6.970 3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.646 5.446 2.978 1.00 0.00 H new ATOM 530 N GLN A 38 3.436 4.989 3.867 1.00 0.00 N ATOM 531 CA GLN A 38 2.032 5.369 3.765 1.00 0.00 C ATOM 532 C GLN A 38 1.833 6.437 2.695 1.00 0.00 C ATOM 533 O GLN A 38 1.251 7.490 2.956 1.00 0.00 O ATOM 534 CB GLN A 38 1.521 5.880 5.114 1.00 0.00 C ATOM 535 CG GLN A 38 1.718 4.893 6.253 1.00 0.00 C ATOM 536 CD GLN A 38 0.523 3.982 6.449 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.604 4.446 6.627 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.762 2.676 6.417 1.00 0.00 N ATOM 0 H GLN A 38 3.606 3.984 3.817 1.00 0.00 H new ATOM 0 HA GLN A 38 1.462 4.485 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.033 6.811 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.460 6.114 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.603 4.288 6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.907 5.442 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.711 2.335 6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.004 2.014 6.543 1.00 0.00 H new ATOM 547 N GLU A 39 2.320 6.159 1.490 1.00 0.00 N ATOM 548 CA GLU A 39 2.197 7.097 0.381 1.00 0.00 C ATOM 549 C GLU A 39 1.082 6.672 -0.570 1.00 0.00 C ATOM 550 O GLU A 39 1.038 5.527 -1.020 1.00 0.00 O ATOM 551 CB GLU A 39 3.520 7.199 -0.380 1.00 0.00 C ATOM 552 CG GLU A 39 3.416 7.975 -1.682 1.00 0.00 C ATOM 553 CD GLU A 39 4.748 8.542 -2.132 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.565 8.904 -1.260 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.974 8.623 -3.358 1.00 0.00 O ATOM 0 H GLU A 39 2.803 5.292 1.257 1.00 0.00 H new ATOM 0 HA GLU A 39 1.947 8.075 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.261 7.678 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.885 6.194 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.023 7.321 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.702 8.789 -1.559 1.00 0.00 H new ATOM 562 N VAL A 40 0.182 7.602 -0.871 1.00 0.00 N ATOM 563 CA VAL A 40 -0.933 7.325 -1.769 1.00 0.00 C ATOM 564 C VAL A 40 -0.475 6.528 -2.985 1.00 0.00 C ATOM 565 O VAL A 40 0.277 7.029 -3.822 1.00 0.00 O ATOM 566 CB VAL A 40 -1.607 8.626 -2.245 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.782 8.315 -3.160 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.054 9.460 -1.055 1.00 0.00 C ATOM 0 H VAL A 40 0.203 8.554 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.655 6.736 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.879 9.205 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.246 9.246 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.429 7.761 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.514 7.715 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.528 10.375 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.766 8.890 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.189 9.713 -0.443 1.00 0.00 H new ATOM 578 N LEU A 41 -0.933 5.285 -3.077 1.00 0.00 N ATOM 579 CA LEU A 41 -0.571 4.417 -4.192 1.00 0.00 C ATOM 580 C LEU A 41 -1.714 4.315 -5.197 1.00 0.00 C ATOM 581 O LEU A 41 -2.080 3.222 -5.628 1.00 0.00 O ATOM 582 CB LEU A 41 -0.201 3.023 -3.681 1.00 0.00 C ATOM 583 CG LEU A 41 0.464 2.968 -2.305 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.283 1.594 -1.679 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.941 3.317 -2.412 1.00 0.00 C ATOM 0 H LEU A 41 -1.556 4.855 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 41 0.292 4.854 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.107 2.417 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.468 2.558 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.017 3.704 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.763 1.574 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.780 1.383 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.737 0.839 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.398 3.273 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.436 2.605 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.049 4.323 -2.817 1.00 0.00 H new ATOM 597 N ALA A 42 -2.273 5.463 -5.568 1.00 0.00 N ATOM 598 CA ALA A 42 -3.371 5.503 -6.525 1.00 0.00 C ATOM 599 C ALA A 42 -2.871 5.864 -7.920 1.00 0.00 C ATOM 600 O ALA A 42 -3.145 5.157 -8.890 1.00 0.00 O ATOM 601 CB ALA A 42 -4.431 6.495 -6.070 1.00 0.00 C ATOM 0 H ALA A 42 -1.983 6.377 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.815 4.509 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.245 6.515 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.818 6.193 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.990 7.489 -5.993 1.00 0.00 H new ATOM 607 N ASP A 43 -2.137 6.968 -8.013 1.00 0.00 N ATOM 608 CA ASP A 43 -1.598 7.422 -9.289 1.00 0.00 C ATOM 609 C ASP A 43 -0.194 6.869 -9.515 1.00 0.00 C ATOM 610 O ASP A 43 0.159 6.482 -10.629 1.00 0.00 O ATOM 611 CB ASP A 43 -1.572 8.951 -9.341 1.00 0.00 C ATOM 612 CG ASP A 43 -1.723 9.485 -10.752 1.00 0.00 C ATOM 613 OD1 ASP A 43 -2.875 9.618 -11.216 1.00 0.00 O ATOM 614 OD2 ASP A 43 -0.689 9.771 -11.391 1.00 0.00 O ATOM 0 H ASP A 43 -1.902 7.565 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.247 7.050 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.374 9.346 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.634 9.310 -8.918 1.00 0.00 H new ATOM 619 N ILE A 44 0.601 6.836 -8.450 1.00 0.00 N ATOM 620 CA ILE A 44 1.965 6.331 -8.533 1.00 0.00 C ATOM 621 C ILE A 44 1.982 4.812 -8.670 1.00 0.00 C ATOM 622 O ILE A 44 2.915 4.239 -9.230 1.00 0.00 O ATOM 623 CB ILE A 44 2.790 6.732 -7.295 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.162 6.151 -6.027 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.893 8.247 -7.196 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.124 6.059 -4.863 1.00 0.00 C ATOM 0 H ILE A 44 0.324 7.153 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 44 2.413 6.779 -9.420 1.00 0.00 H new ATOM 0 HB ILE A 44 3.796 6.325 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.312 6.768 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.774 5.156 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.479 8.515 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.380 8.638 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.894 8.675 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.610 5.638 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.963 5.418 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.493 7.055 -4.617 1.00 0.00 H new ATOM 638 N GLY A 45 0.940 4.166 -8.156 1.00 0.00 N ATOM 639 CA GLY A 45 0.853 2.719 -8.233 1.00 0.00 C ATOM 640 C GLY A 45 1.443 2.037 -7.014 1.00 0.00 C ATOM 641 O GLY A 45 2.140 2.667 -6.218 1.00 0.00 O ATOM 0 H GLY A 45 0.155 4.618 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.191 2.426 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.374 2.374 -9.126 1.00 0.00 H new ATOM 645 N PHE A 46 1.162 0.747 -6.866 1.00 0.00 N ATOM 646 CA PHE A 46 1.667 -0.021 -5.733 1.00 0.00 C ATOM 647 C PHE A 46 2.383 -1.282 -6.207 1.00 0.00 C ATOM 648 O PHE A 46 2.345 -1.624 -7.390 1.00 0.00 O ATOM 649 CB PHE A 46 0.521 -0.394 -4.791 1.00 0.00 C ATOM 650 CG PHE A 46 -0.475 -1.337 -5.403 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.397 -0.884 -6.334 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.491 -2.676 -5.048 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.315 -1.749 -6.899 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.406 -3.545 -5.610 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.320 -3.081 -6.536 1.00 0.00 C ATOM 0 H PHE A 46 0.587 0.211 -7.516 1.00 0.00 H new ATOM 0 HA PHE A 46 2.382 0.601 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.935 -0.849 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.006 0.515 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.398 0.157 -6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.220 -3.045 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.028 -1.383 -7.624 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.407 -4.587 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.037 -3.759 -6.975 1.00 0.00 H new ATOM 665 N VAL A 47 3.034 -1.971 -5.276 1.00 0.00 N ATOM 666 CA VAL A 47 3.759 -3.195 -5.597 1.00 0.00 C ATOM 667 C VAL A 47 3.514 -4.270 -4.544 1.00 0.00 C ATOM 668 O VAL A 47 4.054 -4.208 -3.439 1.00 0.00 O ATOM 669 CB VAL A 47 5.273 -2.938 -5.710 1.00 0.00 C ATOM 670 CG1 VAL A 47 5.996 -4.197 -6.163 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.548 -1.784 -6.662 1.00 0.00 C ATOM 0 H VAL A 47 3.074 -1.703 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 47 3.385 -3.541 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 47 5.652 -2.665 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.065 -3.996 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.826 -4.994 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.616 -4.504 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.623 -1.616 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.156 -2.026 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.063 -0.882 -6.290 1.00 0.00 H new ATOM 681 N LYS A 48 2.696 -5.258 -4.894 1.00 0.00 N ATOM 682 CA LYS A 48 2.380 -6.350 -3.981 1.00 0.00 C ATOM 683 C LYS A 48 3.651 -7.048 -3.507 1.00 0.00 C ATOM 684 O LYS A 48 4.368 -7.655 -4.300 1.00 0.00 O ATOM 685 CB LYS A 48 1.454 -7.359 -4.663 1.00 0.00 C ATOM 686 CG LYS A 48 -0.022 -7.088 -4.426 1.00 0.00 C ATOM 687 CD LYS A 48 -0.424 -7.406 -2.995 1.00 0.00 C ATOM 688 CE LYS A 48 -0.737 -8.884 -2.820 1.00 0.00 C ATOM 689 NZ LYS A 48 -2.100 -9.225 -3.315 1.00 0.00 N ATOM 0 H LYS A 48 2.240 -5.324 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 48 1.873 -5.930 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.649 -7.351 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.693 -8.360 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.240 -6.042 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.618 -7.687 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.381 -7.121 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.297 -6.813 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.003 -9.478 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.656 -9.150 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.275 -10.241 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.808 -8.677 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.169 -8.995 -4.327 1.00 0.00 H new ATOM 703 N ASN A 49 3.921 -6.958 -2.209 1.00 0.00 N ATOM 704 CA ASN A 49 5.105 -7.583 -1.630 1.00 0.00 C ATOM 705 C ASN A 49 4.813 -8.104 -0.226 1.00 0.00 C ATOM 706 O ASN A 49 4.192 -7.418 0.585 1.00 0.00 O ATOM 707 CB ASN A 49 6.263 -6.584 -1.585 1.00 0.00 C ATOM 708 CG ASN A 49 7.616 -7.269 -1.575 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.783 -8.349 -2.142 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.592 -6.642 -0.928 1.00 0.00 N ATOM 0 H ASN A 49 3.337 -6.459 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 49 5.386 -8.427 -2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.201 -5.921 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.168 -5.961 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.524 -7.054 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.409 -5.748 -0.472 1.00 0.00 H new ATOM 717 N ALA A 50 5.267 -9.321 0.053 1.00 0.00 N ATOM 718 CA ALA A 50 5.057 -9.934 1.359 1.00 0.00 C ATOM 719 C ALA A 50 3.627 -9.720 1.843 1.00 0.00 C ATOM 720 O ALA A 50 3.381 -9.566 3.038 1.00 0.00 O ATOM 721 CB ALA A 50 6.047 -9.373 2.370 1.00 0.00 C ATOM 0 H ALA A 50 5.783 -9.902 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 50 5.223 -11.007 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.879 -9.839 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.064 -9.582 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.908 -8.295 2.456 1.00 0.00 H new ATOM 727 N GLY A 51 2.685 -9.711 0.904 1.00 0.00 N ATOM 728 CA GLY A 51 1.290 -9.515 1.254 1.00 0.00 C ATOM 729 C GLY A 51 1.015 -8.119 1.777 1.00 0.00 C ATOM 730 O GLY A 51 0.170 -7.932 2.653 1.00 0.00 O ATOM 0 H GLY A 51 2.863 -9.836 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.669 -9.700 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.002 -10.246 2.009 1.00 0.00 H new ATOM 734 N ARG A 52 1.730 -7.136 1.239 1.00 0.00 N ATOM 735 CA ARG A 52 1.560 -5.750 1.658 1.00 0.00 C ATOM 736 C ARG A 52 1.677 -4.803 0.467 1.00 0.00 C ATOM 737 O ARG A 52 2.479 -5.027 -0.440 1.00 0.00 O ATOM 738 CB ARG A 52 2.601 -5.384 2.718 1.00 0.00 C ATOM 739 CG ARG A 52 2.545 -6.265 3.956 1.00 0.00 C ATOM 740 CD ARG A 52 3.796 -6.111 4.806 1.00 0.00 C ATOM 741 NE ARG A 52 3.959 -7.217 5.746 1.00 0.00 N ATOM 742 CZ ARG A 52 4.658 -7.128 6.872 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.257 -5.990 7.196 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.760 -8.179 7.676 1.00 0.00 N ATOM 0 H ARG A 52 2.432 -7.274 0.512 1.00 0.00 H new ATOM 0 HA ARG A 52 0.563 -5.646 2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.596 -5.453 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.456 -4.345 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.667 -6.007 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.433 -7.307 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.670 -6.055 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.747 -5.172 5.357 1.00 0.00 H new ATOM 0 HE ARG A 52 3.511 -8.107 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.181 -5.181 6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.793 -5.924 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.301 -9.056 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.297 -8.110 8.540 1.00 0.00 H new ATOM 758 N HIS A 53 0.871 -3.746 0.477 1.00 0.00 N ATOM 759 CA HIS A 53 0.885 -2.765 -0.602 1.00 0.00 C ATOM 760 C HIS A 53 1.956 -1.706 -0.361 1.00 0.00 C ATOM 761 O HIS A 53 1.825 -0.867 0.531 1.00 0.00 O ATOM 762 CB HIS A 53 -0.486 -2.100 -0.732 1.00 0.00 C ATOM 763 CG HIS A 53 -1.063 -1.657 0.577 1.00 0.00 C ATOM 764 ND1 HIS A 53 -2.359 -1.205 0.714 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.514 -1.601 1.813 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.581 -0.888 1.977 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.478 -1.120 2.665 1.00 0.00 N ATOM 0 H HIS A 53 0.201 -3.547 1.220 1.00 0.00 H new ATOM 0 HA HIS A 53 1.118 -3.286 -1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.401 -1.237 -1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.176 -2.798 -1.206 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.040 -1.128 -0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.494 -1.882 2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.507 -0.504 2.379 1.00 0.00 H new ATOM 776 N LEU A 54 3.017 -1.752 -1.160 1.00 0.00 N ATOM 777 CA LEU A 54 4.112 -0.797 -1.033 1.00 0.00 C ATOM 778 C LEU A 54 4.262 0.032 -2.305 1.00 0.00 C ATOM 779 O LEU A 54 3.653 -0.271 -3.331 1.00 0.00 O ATOM 780 CB LEU A 54 5.421 -1.529 -0.731 1.00 0.00 C ATOM 781 CG LEU A 54 5.311 -2.750 0.183 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.606 -3.548 0.165 1.00 0.00 C ATOM 783 CD2 LEU A 54 4.964 -2.325 1.602 1.00 0.00 C ATOM 0 H LEU A 54 3.142 -2.440 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 54 3.880 -0.124 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.863 -1.846 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.114 -0.821 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 54 4.510 -3.388 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.509 -4.413 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.812 -3.884 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.426 -2.919 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.890 -3.207 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.743 -1.666 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.010 -1.797 1.601 1.00 0.00 H new ATOM 795 N CYS A 55 5.077 1.078 -2.230 1.00 0.00 N ATOM 796 CA CYS A 55 5.310 1.951 -3.375 1.00 0.00 C ATOM 797 C CYS A 55 6.657 1.649 -4.024 1.00 0.00 C ATOM 798 O CYS A 55 7.606 1.245 -3.351 1.00 0.00 O ATOM 799 CB CYS A 55 5.256 3.418 -2.944 1.00 0.00 C ATOM 800 SG CYS A 55 6.646 3.933 -1.885 1.00 0.00 S ATOM 0 H CYS A 55 5.588 1.342 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 55 4.524 1.766 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.239 4.047 -3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.322 3.595 -2.411 1.00 0.00 H new ATOM 805 N ARG A 56 6.734 1.848 -5.336 1.00 0.00 N ATOM 806 CA ARG A 56 7.964 1.597 -6.076 1.00 0.00 C ATOM 807 C ARG A 56 9.186 1.986 -5.249 1.00 0.00 C ATOM 808 O ARG A 56 10.120 1.204 -5.071 1.00 0.00 O ATOM 809 CB ARG A 56 7.959 2.374 -7.394 1.00 0.00 C ATOM 810 CG ARG A 56 7.533 1.540 -8.591 1.00 0.00 C ATOM 811 CD ARG A 56 7.904 2.216 -9.902 1.00 0.00 C ATOM 812 NE ARG A 56 7.411 3.590 -9.967 1.00 0.00 N ATOM 813 CZ ARG A 56 7.948 4.527 -10.741 1.00 0.00 C ATOM 814 NH1 ARG A 56 8.988 4.239 -11.511 1.00 0.00 N ATOM 815 NH2 ARG A 56 7.443 5.754 -10.746 1.00 0.00 N ATOM 0 H ARG A 56 5.959 2.182 -5.908 1.00 0.00 H new ATOM 0 HA ARG A 56 8.017 0.530 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.288 3.228 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.958 2.771 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.006 0.559 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.456 1.376 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.988 2.214 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.494 1.644 -10.734 1.00 0.00 H new ATOM 0 HE ARG A 56 6.611 3.844 -9.387 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.378 3.296 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.398 4.960 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.642 5.978 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.856 6.473 -11.340 1.00 0.00 H new ATOM 829 N PRO A 57 9.180 3.223 -4.731 1.00 0.00 N ATOM 830 CA PRO A 57 10.281 3.744 -3.914 1.00 0.00 C ATOM 831 C PRO A 57 10.706 2.767 -2.823 1.00 0.00 C ATOM 832 O PRO A 57 11.851 2.316 -2.791 1.00 0.00 O ATOM 833 CB PRO A 57 9.692 5.014 -3.295 1.00 0.00 C ATOM 834 CG PRO A 57 8.635 5.447 -4.250 1.00 0.00 C ATOM 835 CD PRO A 57 8.100 4.209 -4.902 1.00 0.00 C ATOM 0 HA PRO A 57 11.180 3.918 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.276 4.816 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.454 5.784 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.841 5.983 -3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.044 6.129 -4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.176 3.876 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.876 4.377 -5.955 1.00 0.00 H new ATOM 843 N CYS A 58 9.776 2.443 -1.930 1.00 0.00 N ATOM 844 CA CYS A 58 10.054 1.519 -0.837 1.00 0.00 C ATOM 845 C CYS A 58 10.383 0.128 -1.371 1.00 0.00 C ATOM 846 O CYS A 58 11.515 -0.341 -1.256 1.00 0.00 O ATOM 847 CB CYS A 58 8.856 1.443 0.111 1.00 0.00 C ATOM 848 SG CYS A 58 8.473 3.013 0.952 1.00 0.00 S ATOM 0 H CYS A 58 8.823 2.807 -1.942 1.00 0.00 H new ATOM 0 HA CYS A 58 10.919 1.893 -0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.980 1.122 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.049 0.678 0.863 1.00 0.00 H new ATOM 853 N HIS A 59 9.385 -0.527 -1.956 1.00 0.00 N ATOM 854 CA HIS A 59 9.568 -1.864 -2.509 1.00 0.00 C ATOM 855 C HIS A 59 10.931 -1.992 -3.182 1.00 0.00 C ATOM 856 O HIS A 59 11.510 -3.076 -3.232 1.00 0.00 O ATOM 857 CB HIS A 59 8.459 -2.179 -3.514 1.00 0.00 C ATOM 858 CG HIS A 59 8.649 -3.483 -4.226 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.558 -4.706 -3.594 1.00 0.00 N ATOM 860 CD2 HIS A 59 8.925 -3.751 -5.524 1.00 0.00 C ATOM 861 CE1 HIS A 59 8.772 -5.669 -4.472 1.00 0.00 C ATOM 862 NE2 HIS A 59 8.996 -5.117 -5.651 1.00 0.00 N ATOM 0 H HIS A 59 8.441 -0.154 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 59 9.519 -2.580 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.502 -2.195 -2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.408 -1.377 -4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.064 -3.026 -6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.765 -6.728 -4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.190 -5.623 -6.515 1.00 0.00 H new ATOM 871 N ASN A 60 11.438 -0.877 -3.698 1.00 0.00 N ATOM 872 CA ASN A 60 12.733 -0.865 -4.368 1.00 0.00 C ATOM 873 C ASN A 60 13.872 -0.863 -3.353 1.00 0.00 C ATOM 874 O ASN A 60 14.872 -1.560 -3.525 1.00 0.00 O ATOM 875 CB ASN A 60 12.847 0.357 -5.281 1.00 0.00 C ATOM 876 CG ASN A 60 12.284 0.100 -6.665 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.585 -0.917 -7.291 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.461 1.022 -7.150 1.00 0.00 N ATOM 0 H ASN A 60 10.972 0.030 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 60 12.810 -1.770 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.320 1.196 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.894 0.647 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.051 0.903 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.239 1.850 -6.596 1.00 0.00 H new ATOM 885 N ARG A 61 13.712 -0.075 -2.295 1.00 0.00 N ATOM 886 CA ARG A 61 14.726 0.019 -1.252 1.00 0.00 C ATOM 887 C ARG A 61 14.947 -1.336 -0.585 1.00 0.00 C ATOM 888 O ARG A 61 16.058 -1.658 -0.165 1.00 0.00 O ATOM 889 CB ARG A 61 14.316 1.054 -0.203 1.00 0.00 C ATOM 890 CG ARG A 61 13.526 0.468 0.956 1.00 0.00 C ATOM 891 CD ARG A 61 12.920 1.559 1.825 1.00 0.00 C ATOM 892 NE ARG A 61 13.814 1.955 2.909 1.00 0.00 N ATOM 893 CZ ARG A 61 13.771 3.144 3.500 1.00 0.00 C ATOM 894 NH1 ARG A 61 12.882 4.048 3.113 1.00 0.00 N ATOM 895 NH2 ARG A 61 14.619 3.430 4.480 1.00 0.00 N ATOM 0 H ARG A 61 12.890 0.508 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 61 15.660 0.333 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.212 1.538 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.719 1.829 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.734 -0.174 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.179 -0.161 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.691 2.428 1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.977 1.207 2.243 1.00 0.00 H new ATOM 0 HE ARG A 61 14.510 1.282 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.229 3.831 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.851 4.960 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.304 2.737 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.585 4.343 4.933 1.00 0.00 H new ATOM 909 N GLU A 62 13.881 -2.125 -0.492 1.00 0.00 N ATOM 910 CA GLU A 62 13.959 -3.444 0.125 1.00 0.00 C ATOM 911 C GLU A 62 14.633 -4.443 -0.811 1.00 0.00 C ATOM 912 O GLU A 62 15.738 -4.915 -0.543 1.00 0.00 O ATOM 913 CB GLU A 62 12.560 -3.940 0.498 1.00 0.00 C ATOM 914 CG GLU A 62 11.687 -2.875 1.138 1.00 0.00 C ATOM 915 CD GLU A 62 11.969 -2.700 2.617 1.00 0.00 C ATOM 916 OE1 GLU A 62 11.827 -3.686 3.370 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.331 -1.575 3.023 1.00 0.00 O ATOM 0 H GLU A 62 12.954 -1.874 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 62 14.560 -3.359 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.065 -4.313 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.653 -4.782 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.846 -1.925 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.639 -3.139 1.001 1.00 0.00 H new ATOM 924 N LYS A 63 13.959 -4.762 -1.910 1.00 0.00 N ATOM 925 CA LYS A 63 14.490 -5.705 -2.888 1.00 0.00 C ATOM 926 C LYS A 63 15.932 -5.361 -3.246 1.00 0.00 C ATOM 927 O LYS A 63 16.738 -6.246 -3.534 1.00 0.00 O ATOM 928 CB LYS A 63 13.625 -5.704 -4.150 1.00 0.00 C ATOM 929 CG LYS A 63 13.676 -4.396 -4.921 1.00 0.00 C ATOM 930 CD LYS A 63 12.560 -4.311 -5.949 1.00 0.00 C ATOM 931 CE LYS A 63 12.833 -5.212 -7.143 1.00 0.00 C ATOM 932 NZ LYS A 63 13.976 -4.720 -7.960 1.00 0.00 N ATOM 0 H LYS A 63 13.043 -4.381 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 63 14.472 -6.700 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.949 -6.514 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.592 -5.912 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.597 -3.560 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.640 -4.305 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.615 -4.595 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.453 -3.280 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.045 -6.223 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.940 -5.270 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.964 -5.185 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.895 -3.691 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.869 -4.940 -7.475 1.00 0.00 H new ATOM 946 N ALA A 64 16.251 -4.071 -3.225 1.00 0.00 N ATOM 947 CA ALA A 64 17.598 -3.612 -3.544 1.00 0.00 C ATOM 948 C ALA A 64 18.645 -4.619 -3.082 1.00 0.00 C ATOM 949 O ALA A 64 19.451 -5.101 -3.879 1.00 0.00 O ATOM 950 CB ALA A 64 17.855 -2.252 -2.912 1.00 0.00 C ATOM 0 H ALA A 64 15.596 -3.325 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 64 17.676 -3.518 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.864 -1.921 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.133 -1.531 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.752 -2.329 -1.830 1.00 0.00 H new ATOM 956 N SER A 65 18.629 -4.933 -1.791 1.00 0.00 N ATOM 957 CA SER A 65 19.581 -5.880 -1.222 1.00 0.00 C ATOM 958 C SER A 65 18.930 -7.242 -1.006 1.00 0.00 C ATOM 959 O SER A 65 17.774 -7.331 -0.593 1.00 0.00 O ATOM 960 CB SER A 65 20.131 -5.349 0.103 1.00 0.00 C ATOM 961 OG SER A 65 21.004 -4.252 -0.109 1.00 0.00 O ATOM 0 H SER A 65 17.967 -4.545 -1.119 1.00 0.00 H new ATOM 0 HA SER A 65 20.404 -5.998 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.306 -5.042 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.662 -6.145 0.625 1.00 0.00 H new ATOM 0 HG SER A 65 21.340 -3.930 0.753 1.00 0.00 H new ATOM 967 N GLY A 66 19.681 -8.302 -1.288 1.00 0.00 N ATOM 968 CA GLY A 66 19.161 -9.646 -1.119 1.00 0.00 C ATOM 969 C GLY A 66 19.537 -10.562 -2.267 1.00 0.00 C ATOM 970 O GLY A 66 20.286 -10.187 -3.169 1.00 0.00 O ATOM 0 H GLY A 66 20.641 -8.254 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.539 -10.064 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.075 -9.604 -1.032 1.00 0.00 H new ATOM 974 N PRO A 67 19.011 -11.796 -2.242 1.00 0.00 N ATOM 975 CA PRO A 67 19.283 -12.794 -3.280 1.00 0.00 C ATOM 976 C PRO A 67 18.631 -12.437 -4.612 1.00 0.00 C ATOM 977 O PRO A 67 18.737 -13.183 -5.585 1.00 0.00 O ATOM 978 CB PRO A 67 18.669 -14.075 -2.710 1.00 0.00 C ATOM 979 CG PRO A 67 17.607 -13.604 -1.778 1.00 0.00 C ATOM 980 CD PRO A 67 18.109 -12.311 -1.197 1.00 0.00 C ATOM 0 HA PRO A 67 20.348 -12.876 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.253 -14.700 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.416 -14.674 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.664 -13.455 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.422 -14.338 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.293 -11.618 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.634 -12.470 -0.255 1.00 0.00 H new ATOM 988 N SER A 68 17.957 -11.292 -4.648 1.00 0.00 N ATOM 989 CA SER A 68 17.285 -10.838 -5.860 1.00 0.00 C ATOM 990 C SER A 68 18.141 -11.116 -7.092 1.00 0.00 C ATOM 991 O SER A 68 17.688 -11.746 -8.047 1.00 0.00 O ATOM 992 CB SER A 68 16.975 -9.343 -5.767 1.00 0.00 C ATOM 993 OG SER A 68 15.813 -9.016 -6.510 1.00 0.00 O ATOM 0 H SER A 68 17.862 -10.662 -3.852 1.00 0.00 H new ATOM 0 HA SER A 68 16.350 -11.390 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.834 -9.062 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.823 -8.769 -6.140 1.00 0.00 H new ATOM 0 HG SER A 68 15.635 -8.055 -6.433 1.00 0.00 H new ATOM 999 N SER A 69 19.382 -10.640 -7.062 1.00 0.00 N ATOM 1000 CA SER A 69 20.302 -10.833 -8.177 1.00 0.00 C ATOM 1001 C SER A 69 19.780 -10.148 -9.436 1.00 0.00 C ATOM 1002 O SER A 69 19.827 -10.712 -10.528 1.00 0.00 O ATOM 1003 CB SER A 69 20.508 -12.325 -8.443 1.00 0.00 C ATOM 1004 OG SER A 69 21.450 -12.533 -9.482 1.00 0.00 O ATOM 0 H SER A 69 19.773 -10.118 -6.278 1.00 0.00 H new ATOM 0 HA SER A 69 21.258 -10.383 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.852 -12.816 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.557 -12.784 -8.713 1.00 0.00 H new ATOM 0 HG SER A 69 21.172 -12.036 -10.280 1.00 0.00 H new ATOM 1010 N GLY A 70 19.281 -8.926 -9.274 1.00 0.00 N ATOM 1011 CA GLY A 70 18.757 -8.183 -10.405 1.00 0.00 C ATOM 1012 C GLY A 70 19.539 -6.913 -10.677 1.00 0.00 C ATOM 1013 O GLY A 70 19.873 -6.652 -11.832 1.00 0.00 O ATOM 0 H GLY A 70 19.230 -8.438 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.778 -8.816 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.713 -7.930 -10.218 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.360 4.318 2.482 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.593 3.537 0.320 1.00 0.00 ZN