USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=12 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 59 HIS :FLIP no HD1:sc= -8.75! C(o=-9.6!,f=-8.8!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0727) 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= -0.112 X(o=-0.11,f=-0.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.2) USER MOD Single : A 25 ASN : amide:sc= -3.03! C(o=-3!,f=-2.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.29) USER MOD Single : A 49 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.8!) USER MOD Single : A 53 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-8.8!) USER MOD Single : A 60 ASN : amide:sc= -2.54! X(o=-2.5!,f=-2.3) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.624 -8.102 -6.915 1.00 0.00 N ATOM 2 CA GLY A 1 -29.295 -8.670 -7.052 1.00 0.00 C ATOM 3 C GLY A 1 -28.705 -8.437 -8.428 1.00 0.00 C ATOM 4 O GLY A 1 -28.376 -9.387 -9.139 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.984 -8.288 -5.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.581 -7.075 -7.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.260 -8.535 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.638 -8.234 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.339 -9.741 -6.855 1.00 0.00 H new ATOM 8 N SER A 2 -28.570 -7.170 -8.806 1.00 0.00 N ATOM 9 CA SER A 2 -28.020 -6.815 -10.109 1.00 0.00 C ATOM 10 C SER A 2 -26.498 -6.914 -10.102 1.00 0.00 C ATOM 11 O SER A 2 -25.906 -7.618 -10.920 1.00 0.00 O ATOM 12 CB SER A 2 -28.449 -5.399 -10.499 1.00 0.00 C ATOM 13 OG SER A 2 -29.855 -5.248 -10.406 1.00 0.00 O ATOM 0 H SER A 2 -28.834 -6.372 -8.228 1.00 0.00 H new ATOM 0 HA SER A 2 -28.409 -7.520 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.959 -4.675 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.124 -5.184 -11.517 1.00 0.00 H new ATOM 0 HG SER A 2 -30.103 -4.334 -10.659 1.00 0.00 H new ATOM 19 N SER A 3 -25.870 -6.203 -9.171 1.00 0.00 N ATOM 20 CA SER A 3 -24.416 -6.207 -9.058 1.00 0.00 C ATOM 21 C SER A 3 -23.985 -6.242 -7.594 1.00 0.00 C ATOM 22 O SER A 3 -24.724 -5.817 -6.707 1.00 0.00 O ATOM 23 CB SER A 3 -23.827 -4.973 -9.744 1.00 0.00 C ATOM 24 OG SER A 3 -24.160 -4.948 -11.121 1.00 0.00 O ATOM 0 H SER A 3 -26.345 -5.617 -8.484 1.00 0.00 H new ATOM 0 HA SER A 3 -24.040 -7.103 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.201 -4.071 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.743 -4.971 -9.629 1.00 0.00 H new ATOM 0 HG SER A 3 -23.773 -4.149 -11.537 1.00 0.00 H new ATOM 30 N GLY A 4 -22.783 -6.755 -7.350 1.00 0.00 N ATOM 31 CA GLY A 4 -22.273 -6.838 -5.994 1.00 0.00 C ATOM 32 C GLY A 4 -22.045 -5.472 -5.376 1.00 0.00 C ATOM 33 O GLY A 4 -22.493 -4.459 -5.911 1.00 0.00 O ATOM 0 H GLY A 4 -22.153 -7.115 -8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.976 -7.399 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.336 -7.394 -5.995 1.00 0.00 H new ATOM 37 N SER A 5 -21.349 -5.446 -4.244 1.00 0.00 N ATOM 38 CA SER A 5 -21.067 -4.195 -3.549 1.00 0.00 C ATOM 39 C SER A 5 -19.585 -3.846 -3.637 1.00 0.00 C ATOM 40 O SER A 5 -18.722 -4.700 -3.430 1.00 0.00 O ATOM 41 CB SER A 5 -21.493 -4.295 -2.083 1.00 0.00 C ATOM 42 OG SER A 5 -21.689 -3.009 -1.520 1.00 0.00 O ATOM 0 H SER A 5 -20.970 -6.276 -3.789 1.00 0.00 H new ATOM 0 HA SER A 5 -21.638 -3.403 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.414 -4.873 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.733 -4.832 -1.516 1.00 0.00 H new ATOM 0 HG SER A 5 -21.962 -3.100 -0.583 1.00 0.00 H new ATOM 48 N SER A 6 -19.297 -2.586 -3.946 1.00 0.00 N ATOM 49 CA SER A 6 -17.919 -2.124 -4.065 1.00 0.00 C ATOM 50 C SER A 6 -17.601 -1.080 -2.998 1.00 0.00 C ATOM 51 O SER A 6 -17.938 0.094 -3.143 1.00 0.00 O ATOM 52 CB SER A 6 -17.674 -1.538 -5.457 1.00 0.00 C ATOM 53 OG SER A 6 -17.544 -2.563 -6.427 1.00 0.00 O ATOM 0 H SER A 6 -19.999 -1.867 -4.119 1.00 0.00 H new ATOM 0 HA SER A 6 -17.261 -2.980 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.499 -0.879 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.770 -0.928 -5.444 1.00 0.00 H new ATOM 0 HG SER A 6 -17.390 -2.162 -7.308 1.00 0.00 H new ATOM 59 N GLY A 7 -16.951 -1.519 -1.925 1.00 0.00 N ATOM 60 CA GLY A 7 -16.598 -0.612 -0.849 1.00 0.00 C ATOM 61 C GLY A 7 -15.134 -0.704 -0.469 1.00 0.00 C ATOM 62 O GLY A 7 -14.529 -1.774 -0.552 1.00 0.00 O ATOM 0 H GLY A 7 -16.663 -2.487 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.828 0.410 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.211 -0.833 0.024 1.00 0.00 H new ATOM 66 N CYS A 8 -14.560 0.420 -0.052 1.00 0.00 N ATOM 67 CA CYS A 8 -13.157 0.463 0.340 1.00 0.00 C ATOM 68 C CYS A 8 -12.862 -0.573 1.421 1.00 0.00 C ATOM 69 O CYS A 8 -13.698 -0.840 2.285 1.00 0.00 O ATOM 70 CB CYS A 8 -12.789 1.860 0.843 1.00 0.00 C ATOM 71 SG CYS A 8 -11.182 1.944 1.698 1.00 0.00 S ATOM 0 H CYS A 8 -15.046 1.314 0.023 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.553 0.229 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.774 2.547 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.568 2.207 1.522 1.00 0.00 H new ATOM 76 N HIS A 9 -11.667 -1.153 1.367 1.00 0.00 N ATOM 77 CA HIS A 9 -11.261 -2.159 2.341 1.00 0.00 C ATOM 78 C HIS A 9 -10.518 -1.516 3.509 1.00 0.00 C ATOM 79 O HIS A 9 -10.637 -1.959 4.651 1.00 0.00 O ATOM 80 CB HIS A 9 -10.375 -3.214 1.678 1.00 0.00 C ATOM 81 CG HIS A 9 -10.222 -4.464 2.489 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.294 -5.176 2.984 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.113 -5.129 2.890 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.851 -6.224 3.655 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.531 -6.219 3.613 1.00 0.00 N ATOM 0 H HIS A 9 -10.963 -0.943 0.659 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.161 -2.640 2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.796 -3.471 0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.389 -2.786 1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.090 -4.853 2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.464 -6.960 4.153 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.921 -6.912 4.047 1.00 0.00 H new ATOM 94 N GLN A 10 -9.753 -0.471 3.213 1.00 0.00 N ATOM 95 CA GLN A 10 -8.990 0.231 4.238 1.00 0.00 C ATOM 96 C GLN A 10 -9.895 0.672 5.384 1.00 0.00 C ATOM 97 O GLN A 10 -9.797 0.158 6.499 1.00 0.00 O ATOM 98 CB GLN A 10 -8.283 1.446 3.635 1.00 0.00 C ATOM 99 CG GLN A 10 -7.520 2.275 4.656 1.00 0.00 C ATOM 100 CD GLN A 10 -6.149 1.705 4.964 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.171 2.006 4.279 1.00 0.00 O ATOM 102 NE2 GLN A 10 -6.071 0.876 5.998 1.00 0.00 N ATOM 0 H GLN A 10 -9.645 -0.092 2.272 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.242 -0.457 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.591 1.108 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.022 2.079 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.410 3.293 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.100 2.334 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.907 0.654 6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.175 0.461 6.252 1.00 0.00 H new ATOM 111 N CYS A 11 -10.777 1.625 5.102 1.00 0.00 N ATOM 112 CA CYS A 11 -11.699 2.136 6.109 1.00 0.00 C ATOM 113 C CYS A 11 -13.008 1.351 6.096 1.00 0.00 C ATOM 114 O CYS A 11 -13.502 0.931 7.141 1.00 0.00 O ATOM 115 CB CYS A 11 -11.980 3.621 5.867 1.00 0.00 C ATOM 116 SG CYS A 11 -12.778 3.975 4.268 1.00 0.00 S ATOM 0 H CYS A 11 -10.873 2.059 4.184 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.233 2.016 7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.616 3.995 6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.041 4.171 5.922 1.00 0.00 H new ATOM 121 N GLY A 12 -13.563 1.156 4.903 1.00 0.00 N ATOM 122 CA GLY A 12 -14.808 0.422 4.776 1.00 0.00 C ATOM 123 C GLY A 12 -15.878 1.216 4.052 1.00 0.00 C ATOM 124 O GLY A 12 -16.660 0.658 3.283 1.00 0.00 O ATOM 0 H GLY A 12 -13.172 1.493 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.624 -0.509 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.169 0.151 5.768 1.00 0.00 H new ATOM 128 N GLU A 13 -15.913 2.522 4.300 1.00 0.00 N ATOM 129 CA GLU A 13 -16.898 3.392 3.668 1.00 0.00 C ATOM 130 C GLU A 13 -17.041 3.064 2.185 1.00 0.00 C ATOM 131 O GLU A 13 -16.134 2.501 1.572 1.00 0.00 O ATOM 132 CB GLU A 13 -16.499 4.859 3.841 1.00 0.00 C ATOM 133 CG GLU A 13 -16.024 5.200 5.244 1.00 0.00 C ATOM 134 CD GLU A 13 -16.354 6.625 5.642 1.00 0.00 C ATOM 135 OE1 GLU A 13 -17.518 6.883 6.015 1.00 0.00 O ATOM 136 OE2 GLU A 13 -15.448 7.483 5.580 1.00 0.00 O ATOM 0 H GLU A 13 -15.272 3.000 4.933 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.859 3.224 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.707 5.098 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.352 5.490 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.482 4.513 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.946 5.050 5.305 1.00 0.00 H new ATOM 143 N PHE A 14 -18.187 3.420 1.614 1.00 0.00 N ATOM 144 CA PHE A 14 -18.451 3.162 0.203 1.00 0.00 C ATOM 145 C PHE A 14 -17.744 4.188 -0.678 1.00 0.00 C ATOM 146 O PHE A 14 -17.808 5.391 -0.423 1.00 0.00 O ATOM 147 CB PHE A 14 -19.956 3.190 -0.069 1.00 0.00 C ATOM 148 CG PHE A 14 -20.354 2.448 -1.313 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.398 1.063 -1.324 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.684 3.135 -2.470 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.763 0.377 -2.468 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.050 2.454 -3.616 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.091 1.074 -3.614 1.00 0.00 C ATOM 0 H PHE A 14 -18.948 3.888 2.107 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.064 2.172 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.480 2.759 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.283 4.226 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -20.145 0.513 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.655 4.215 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.791 -0.703 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.304 3.001 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.379 0.540 -4.508 1.00 0.00 H new ATOM 163 N ILE A 15 -17.070 3.703 -1.716 1.00 0.00 N ATOM 164 CA ILE A 15 -16.352 4.577 -2.635 1.00 0.00 C ATOM 165 C ILE A 15 -17.289 5.154 -3.690 1.00 0.00 C ATOM 166 O ILE A 15 -18.081 4.430 -4.294 1.00 0.00 O ATOM 167 CB ILE A 15 -15.202 3.831 -3.338 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.385 3.033 -2.321 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.313 4.813 -4.087 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.533 1.950 -2.945 1.00 0.00 C ATOM 0 H ILE A 15 -17.006 2.710 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 15 -15.937 5.389 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.629 3.134 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.741 3.717 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.063 2.579 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.505 4.271 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.904 5.341 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.892 5.532 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.982 1.426 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.173 1.244 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.830 2.399 -3.646 1.00 0.00 H new ATOM 182 N ILE A 16 -17.192 6.461 -3.908 1.00 0.00 N ATOM 183 CA ILE A 16 -18.029 7.135 -4.893 1.00 0.00 C ATOM 184 C ILE A 16 -17.203 8.075 -5.765 1.00 0.00 C ATOM 185 O ILE A 16 -16.603 9.029 -5.272 1.00 0.00 O ATOM 186 CB ILE A 16 -19.157 7.938 -4.218 1.00 0.00 C ATOM 187 CG1 ILE A 16 -19.912 7.057 -3.221 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.108 8.497 -5.265 1.00 0.00 C ATOM 189 CD1 ILE A 16 -20.972 7.801 -2.438 1.00 0.00 C ATOM 0 H ILE A 16 -16.542 7.074 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.470 6.358 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.715 8.773 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.381 6.233 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.198 6.618 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -20.900 9.062 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.560 9.154 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.547 7.677 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.466 7.114 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.507 8.608 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.707 8.218 -3.126 1.00 0.00 H new ATOM 201 N GLY A 17 -17.180 7.800 -7.065 1.00 0.00 N ATOM 202 CA GLY A 17 -16.427 8.631 -7.986 1.00 0.00 C ATOM 203 C GLY A 17 -15.183 7.938 -8.508 1.00 0.00 C ATOM 204 O GLY A 17 -15.144 7.502 -9.658 1.00 0.00 O ATOM 0 H GLY A 17 -17.669 7.016 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.065 8.907 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.141 9.556 -7.485 1.00 0.00 H new ATOM 208 N ARG A 18 -14.164 7.839 -7.661 1.00 0.00 N ATOM 209 CA ARG A 18 -12.912 7.197 -8.044 1.00 0.00 C ATOM 210 C ARG A 18 -12.653 5.959 -7.191 1.00 0.00 C ATOM 211 O ARG A 18 -12.507 6.051 -5.972 1.00 0.00 O ATOM 212 CB ARG A 18 -11.748 8.179 -7.903 1.00 0.00 C ATOM 213 CG ARG A 18 -10.382 7.513 -7.936 1.00 0.00 C ATOM 214 CD ARG A 18 -9.317 8.451 -8.483 1.00 0.00 C ATOM 215 NE ARG A 18 -8.218 7.724 -9.111 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.419 8.252 -10.032 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.595 9.505 -10.428 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.440 7.526 -10.557 1.00 0.00 N ATOM 0 H ARG A 18 -14.181 8.195 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.994 6.888 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.804 8.914 -8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.855 8.724 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.107 7.195 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.429 6.615 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.768 9.126 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.927 9.069 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.054 6.758 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.345 10.066 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.980 9.908 -11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.301 6.562 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.827 7.932 -11.264 1.00 0.00 H new ATOM 232 N VAL A 19 -12.597 4.801 -7.840 1.00 0.00 N ATOM 233 CA VAL A 19 -12.355 3.544 -7.142 1.00 0.00 C ATOM 234 C VAL A 19 -10.984 2.976 -7.492 1.00 0.00 C ATOM 235 O VAL A 19 -10.700 2.687 -8.655 1.00 0.00 O ATOM 236 CB VAL A 19 -13.434 2.497 -7.479 1.00 0.00 C ATOM 237 CG1 VAL A 19 -12.940 1.096 -7.153 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.724 2.804 -6.733 1.00 0.00 C ATOM 0 H VAL A 19 -12.716 4.707 -8.849 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.393 3.763 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.639 2.543 -8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.716 0.371 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.045 0.881 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.705 1.031 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.476 2.055 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.536 2.786 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.085 3.791 -7.022 1.00 0.00 H new ATOM 248 N ILE A 20 -10.139 2.818 -6.480 1.00 0.00 N ATOM 249 CA ILE A 20 -8.798 2.282 -6.681 1.00 0.00 C ATOM 250 C ILE A 20 -8.783 0.765 -6.527 1.00 0.00 C ATOM 251 O ILE A 20 -8.786 0.243 -5.412 1.00 0.00 O ATOM 252 CB ILE A 20 -7.792 2.898 -5.691 1.00 0.00 C ATOM 253 CG1 ILE A 20 -7.977 4.415 -5.619 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.368 2.551 -6.099 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.734 5.117 -6.937 1.00 0.00 C ATOM 0 H ILE A 20 -10.359 3.053 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.502 2.544 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.977 2.481 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.990 4.634 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.297 4.821 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.668 2.993 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.244 1.468 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.170 2.943 -7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.883 6.189 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.712 4.929 -7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.432 4.739 -7.685 1.00 0.00 H new ATOM 267 N LYS A 21 -8.765 0.061 -7.654 1.00 0.00 N ATOM 268 CA LYS A 21 -8.746 -1.396 -7.646 1.00 0.00 C ATOM 269 C LYS A 21 -7.345 -1.921 -7.349 1.00 0.00 C ATOM 270 O LYS A 21 -6.416 -1.711 -8.128 1.00 0.00 O ATOM 271 CB LYS A 21 -9.231 -1.941 -8.991 1.00 0.00 C ATOM 272 CG LYS A 21 -10.737 -1.860 -9.172 1.00 0.00 C ATOM 273 CD LYS A 21 -11.424 -3.131 -8.701 1.00 0.00 C ATOM 274 CE LYS A 21 -12.852 -2.859 -8.252 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.821 -2.992 -9.375 1.00 0.00 N ATOM 0 H LYS A 21 -8.763 0.477 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.418 -1.738 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.746 -1.386 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.917 -2.980 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.126 -1.007 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.969 -1.688 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.428 -3.864 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.859 -3.567 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.121 -3.553 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.916 -1.854 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.782 -2.799 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.580 -2.312 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.778 -3.958 -9.758 1.00 0.00 H new ATOM 289 N ALA A 22 -7.201 -2.604 -6.218 1.00 0.00 N ATOM 290 CA ALA A 22 -5.914 -3.161 -5.821 1.00 0.00 C ATOM 291 C ALA A 22 -6.096 -4.373 -4.914 1.00 0.00 C ATOM 292 O ALA A 22 -7.173 -4.587 -4.358 1.00 0.00 O ATOM 293 CB ALA A 22 -5.072 -2.101 -5.126 1.00 0.00 C ATOM 0 H ALA A 22 -7.960 -2.785 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.395 -3.489 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.114 -2.531 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.904 -1.266 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.595 -1.746 -4.238 1.00 0.00 H new ATOM 299 N MET A 23 -5.038 -5.163 -4.769 1.00 0.00 N ATOM 300 CA MET A 23 -5.082 -6.353 -3.928 1.00 0.00 C ATOM 301 C MET A 23 -6.393 -7.109 -4.124 1.00 0.00 C ATOM 302 O MET A 23 -6.885 -7.764 -3.207 1.00 0.00 O ATOM 303 CB MET A 23 -4.916 -5.971 -2.456 1.00 0.00 C ATOM 304 CG MET A 23 -3.706 -5.091 -2.189 1.00 0.00 C ATOM 305 SD MET A 23 -3.546 -4.638 -0.451 1.00 0.00 S ATOM 306 CE MET A 23 -2.041 -5.505 -0.013 1.00 0.00 C ATOM 0 H MET A 23 -4.139 -5.001 -5.223 1.00 0.00 H new ATOM 0 HA MET A 23 -4.259 -7.005 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.814 -5.452 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.832 -6.880 -1.860 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.804 -5.613 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.780 -4.185 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.808 -5.323 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.177 -6.574 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.220 -5.146 -0.634 1.00 0.00 H new ATOM 316 N ASN A 24 -6.952 -7.012 -5.326 1.00 0.00 N ATOM 317 CA ASN A 24 -8.206 -7.686 -5.642 1.00 0.00 C ATOM 318 C ASN A 24 -9.353 -7.120 -4.810 1.00 0.00 C ATOM 319 O ASN A 24 -10.198 -7.862 -4.313 1.00 0.00 O ATOM 320 CB ASN A 24 -8.077 -9.191 -5.395 1.00 0.00 C ATOM 321 CG ASN A 24 -9.201 -9.980 -6.036 1.00 0.00 C ATOM 322 OD1 ASN A 24 -10.135 -9.408 -6.598 1.00 0.00 O ATOM 323 ND2 ASN A 24 -9.117 -11.303 -5.955 1.00 0.00 N ATOM 0 H ASN A 24 -6.557 -6.473 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.426 -7.515 -6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.122 -9.540 -5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.069 -9.381 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.845 -11.886 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.325 -11.736 -5.480 1.00 0.00 H new ATOM 330 N ASN A 25 -9.374 -5.799 -4.664 1.00 0.00 N ATOM 331 CA ASN A 25 -10.417 -5.132 -3.893 1.00 0.00 C ATOM 332 C ASN A 25 -10.450 -3.638 -4.200 1.00 0.00 C ATOM 333 O ASN A 25 -9.485 -3.080 -4.723 1.00 0.00 O ATOM 334 CB ASN A 25 -10.192 -5.351 -2.395 1.00 0.00 C ATOM 335 CG ASN A 25 -10.584 -6.747 -1.950 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.762 -7.035 -1.737 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.595 -7.622 -1.807 1.00 0.00 N ATOM 0 H ASN A 25 -8.681 -5.170 -5.069 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.376 -5.564 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.142 -5.179 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.770 -4.618 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.798 -8.576 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.633 -7.340 -1.995 1.00 0.00 H new ATOM 344 N SER A 26 -11.566 -2.996 -3.871 1.00 0.00 N ATOM 345 CA SER A 26 -11.726 -1.567 -4.114 1.00 0.00 C ATOM 346 C SER A 26 -11.255 -0.755 -2.912 1.00 0.00 C ATOM 347 O SER A 26 -11.426 -1.168 -1.765 1.00 0.00 O ATOM 348 CB SER A 26 -13.189 -1.242 -4.422 1.00 0.00 C ATOM 349 OG SER A 26 -14.031 -1.605 -3.341 1.00 0.00 O ATOM 0 H SER A 26 -12.373 -3.443 -3.435 1.00 0.00 H new ATOM 0 HA SER A 26 -11.112 -1.299 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.293 -0.176 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.500 -1.771 -5.323 1.00 0.00 H new ATOM 0 HG SER A 26 -14.960 -1.386 -3.562 1.00 0.00 H new ATOM 355 N TRP A 27 -10.660 0.401 -3.183 1.00 0.00 N ATOM 356 CA TRP A 27 -10.163 1.272 -2.124 1.00 0.00 C ATOM 357 C TRP A 27 -10.276 2.738 -2.527 1.00 0.00 C ATOM 358 O TRP A 27 -10.590 3.054 -3.675 1.00 0.00 O ATOM 359 CB TRP A 27 -8.709 0.931 -1.796 1.00 0.00 C ATOM 360 CG TRP A 27 -8.430 -0.541 -1.794 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.657 -1.420 -2.814 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.873 -1.306 -0.719 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.275 -2.686 -2.438 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.790 -2.642 -1.158 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.434 -0.993 0.570 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.288 -3.661 -0.352 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.936 -2.005 1.369 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.865 -3.325 0.905 1.00 0.00 C ATOM 0 H TRP A 27 -10.510 0.757 -4.127 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.776 1.110 -1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.057 1.416 -2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.459 1.342 -0.818 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.075 -1.159 -3.775 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.342 -3.522 -3.018 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.483 0.022 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.235 -4.680 -0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.596 -1.774 2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.468 -4.093 1.553 1.00 0.00 H new ATOM 379 N HIS A 28 -10.018 3.630 -1.577 1.00 0.00 N ATOM 380 CA HIS A 28 -10.090 5.064 -1.834 1.00 0.00 C ATOM 381 C HIS A 28 -8.759 5.589 -2.364 1.00 0.00 C ATOM 382 O HIS A 28 -7.701 4.996 -2.151 1.00 0.00 O ATOM 383 CB HIS A 28 -10.476 5.814 -0.559 1.00 0.00 C ATOM 384 CG HIS A 28 -11.924 5.680 -0.199 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.355 5.153 1.000 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.041 6.008 -0.888 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.676 5.162 1.032 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.117 5.677 -0.102 1.00 0.00 N ATOM 0 H HIS A 28 -9.757 3.386 -0.622 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.855 5.234 -2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.869 5.445 0.268 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.237 6.870 -0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.079 6.448 -1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.291 4.808 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.097 5.807 -0.353 1.00 0.00 H new ATOM 396 N PRO A 29 -8.811 6.727 -3.072 1.00 0.00 N ATOM 397 CA PRO A 29 -7.618 7.356 -3.647 1.00 0.00 C ATOM 398 C PRO A 29 -6.702 7.946 -2.580 1.00 0.00 C ATOM 399 O PRO A 29 -5.641 8.487 -2.891 1.00 0.00 O ATOM 400 CB PRO A 29 -8.193 8.465 -4.531 1.00 0.00 C ATOM 401 CG PRO A 29 -9.518 8.782 -3.927 1.00 0.00 C ATOM 402 CD PRO A 29 -10.037 7.488 -3.365 1.00 0.00 C ATOM 0 HA PRO A 29 -7.000 6.639 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.543 9.340 -4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.298 8.134 -5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.420 9.536 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.201 9.185 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.633 7.650 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.673 6.966 -4.080 1.00 0.00 H new ATOM 410 N GLU A 30 -7.119 7.838 -1.323 1.00 0.00 N ATOM 411 CA GLU A 30 -6.335 8.361 -0.211 1.00 0.00 C ATOM 412 C GLU A 30 -6.001 7.257 0.788 1.00 0.00 C ATOM 413 O GLU A 30 -4.932 7.259 1.399 1.00 0.00 O ATOM 414 CB GLU A 30 -7.096 9.487 0.493 1.00 0.00 C ATOM 415 CG GLU A 30 -8.320 9.009 1.257 1.00 0.00 C ATOM 416 CD GLU A 30 -9.341 10.110 1.471 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.964 11.171 2.012 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.515 9.911 1.097 1.00 0.00 O ATOM 0 H GLU A 30 -7.995 7.393 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.402 8.757 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.422 9.993 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.405 10.224 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.786 8.188 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.009 8.614 2.224 1.00 0.00 H new ATOM 425 N CYS A 31 -6.924 6.314 0.948 1.00 0.00 N ATOM 426 CA CYS A 31 -6.730 5.203 1.872 1.00 0.00 C ATOM 427 C CYS A 31 -5.545 4.340 1.445 1.00 0.00 C ATOM 428 O CYS A 31 -4.576 4.186 2.188 1.00 0.00 O ATOM 429 CB CYS A 31 -7.996 4.348 1.948 1.00 0.00 C ATOM 430 SG CYS A 31 -9.281 5.019 3.052 1.00 0.00 S ATOM 0 H CYS A 31 -7.814 6.297 0.450 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.519 5.617 2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.412 4.243 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.726 3.348 2.287 1.00 0.00 H new ATOM 435 N PHE A 32 -5.631 3.781 0.242 1.00 0.00 N ATOM 436 CA PHE A 32 -4.568 2.934 -0.284 1.00 0.00 C ATOM 437 C PHE A 32 -3.218 3.641 -0.202 1.00 0.00 C ATOM 438 O PHE A 32 -2.838 4.382 -1.109 1.00 0.00 O ATOM 439 CB PHE A 32 -4.866 2.547 -1.734 1.00 0.00 C ATOM 440 CG PHE A 32 -4.087 1.353 -2.208 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.056 0.188 -1.460 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.386 1.397 -3.402 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.339 -0.911 -1.894 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.667 0.301 -3.842 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.645 -0.855 -3.087 1.00 0.00 C ATOM 0 H PHE A 32 -6.426 3.900 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.523 2.031 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.931 2.339 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.644 3.396 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.598 0.138 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.401 2.299 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.321 -1.813 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.124 0.349 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.086 -1.714 -3.429 1.00 0.00 H new ATOM 455 N ARG A 33 -2.499 3.406 0.890 1.00 0.00 N ATOM 456 CA ARG A 33 -1.193 4.021 1.092 1.00 0.00 C ATOM 457 C ARG A 33 -0.119 2.959 1.305 1.00 0.00 C ATOM 458 O ARG A 33 -0.425 1.790 1.542 1.00 0.00 O ATOM 459 CB ARG A 33 -1.232 4.969 2.292 1.00 0.00 C ATOM 460 CG ARG A 33 -2.051 6.226 2.049 1.00 0.00 C ATOM 461 CD ARG A 33 -1.746 7.299 3.083 1.00 0.00 C ATOM 462 NE ARG A 33 -1.882 8.645 2.532 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.010 9.344 2.571 1.00 0.00 C ATOM 464 NH1 ARG A 33 -4.095 8.828 3.133 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.055 10.563 2.048 1.00 0.00 N ATOM 0 H ARG A 33 -2.799 2.794 1.649 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.945 4.590 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.643 4.438 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.213 5.254 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.841 6.611 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.113 5.981 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.419 7.185 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.732 7.162 3.459 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.066 9.071 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.064 7.892 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.960 9.367 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.222 10.963 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.922 11.099 2.078 1.00 0.00 H new ATOM 479 N CYS A 34 1.141 3.373 1.217 1.00 0.00 N ATOM 480 CA CYS A 34 2.262 2.458 1.398 1.00 0.00 C ATOM 481 C CYS A 34 2.241 1.842 2.794 1.00 0.00 C ATOM 482 O CYS A 34 1.514 2.301 3.676 1.00 0.00 O ATOM 483 CB CYS A 34 3.586 3.189 1.172 1.00 0.00 C ATOM 484 SG CYS A 34 5.020 2.084 0.966 1.00 0.00 S ATOM 0 H CYS A 34 1.411 4.337 1.021 1.00 0.00 H new ATOM 0 HA CYS A 34 2.167 1.657 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.495 3.818 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.771 3.853 2.016 1.00 0.00 H new ATOM 489 N ASP A 35 3.042 0.800 2.987 1.00 0.00 N ATOM 490 CA ASP A 35 3.117 0.121 4.276 1.00 0.00 C ATOM 491 C ASP A 35 4.418 0.464 4.995 1.00 0.00 C ATOM 492 O ASP A 35 4.677 -0.022 6.097 1.00 0.00 O ATOM 493 CB ASP A 35 3.008 -1.392 4.086 1.00 0.00 C ATOM 494 CG ASP A 35 2.694 -2.117 5.380 1.00 0.00 C ATOM 495 OD1 ASP A 35 3.614 -2.272 6.211 1.00 0.00 O ATOM 496 OD2 ASP A 35 1.529 -2.529 5.563 1.00 0.00 O ATOM 0 H ASP A 35 3.649 0.407 2.267 1.00 0.00 H new ATOM 0 HA ASP A 35 2.283 0.463 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.230 -1.608 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.944 -1.772 3.678 1.00 0.00 H new ATOM 501 N LEU A 36 5.233 1.302 4.365 1.00 0.00 N ATOM 502 CA LEU A 36 6.509 1.710 4.945 1.00 0.00 C ATOM 503 C LEU A 36 6.591 3.228 5.069 1.00 0.00 C ATOM 504 O LEU A 36 7.206 3.753 5.996 1.00 0.00 O ATOM 505 CB LEU A 36 7.668 1.193 4.090 1.00 0.00 C ATOM 506 CG LEU A 36 7.874 -0.322 4.085 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.459 -0.777 2.757 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.775 -0.741 5.238 1.00 0.00 C ATOM 0 H LEU A 36 5.034 1.713 3.453 1.00 0.00 H new ATOM 0 HA LEU A 36 6.581 1.279 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.510 1.522 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.588 1.664 4.437 1.00 0.00 H new ATOM 0 HG LEU A 36 6.904 -0.802 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.599 -1.858 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.778 -0.510 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.421 -0.289 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.911 -1.822 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.744 -0.252 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.316 -0.449 6.183 1.00 0.00 H new ATOM 520 N CYS A 37 5.964 3.927 4.129 1.00 0.00 N ATOM 521 CA CYS A 37 5.963 5.385 4.133 1.00 0.00 C ATOM 522 C CYS A 37 4.539 5.929 4.084 1.00 0.00 C ATOM 523 O CYS A 37 4.322 7.138 4.168 1.00 0.00 O ATOM 524 CB CYS A 37 6.765 5.919 2.944 1.00 0.00 C ATOM 525 SG CYS A 37 5.992 5.607 1.325 1.00 0.00 S ATOM 0 H CYS A 37 5.450 3.507 3.355 1.00 0.00 H new ATOM 0 HA CYS A 37 6.430 5.721 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.905 6.993 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.756 5.465 2.955 1.00 0.00 H new ATOM 530 N GLN A 38 3.571 5.027 3.949 1.00 0.00 N ATOM 531 CA GLN A 38 2.168 5.417 3.890 1.00 0.00 C ATOM 532 C GLN A 38 1.944 6.485 2.825 1.00 0.00 C ATOM 533 O GLN A 38 1.394 7.549 3.106 1.00 0.00 O ATOM 534 CB GLN A 38 1.701 5.933 5.252 1.00 0.00 C ATOM 535 CG GLN A 38 1.996 4.978 6.398 1.00 0.00 C ATOM 536 CD GLN A 38 0.856 4.014 6.663 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.297 4.422 6.801 1.00 0.00 O ATOM 538 NE2 GLN A 38 1.174 2.727 6.735 1.00 0.00 N ATOM 0 H GLN A 38 3.733 4.022 3.879 1.00 0.00 H new ATOM 0 HA GLN A 38 1.584 4.536 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.183 6.889 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.628 6.119 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.900 4.412 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.198 5.553 7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.143 2.434 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.449 2.032 6.911 1.00 0.00 H new ATOM 547 N GLU A 39 2.375 6.194 1.601 1.00 0.00 N ATOM 548 CA GLU A 39 2.222 7.131 0.495 1.00 0.00 C ATOM 549 C GLU A 39 1.096 6.693 -0.438 1.00 0.00 C ATOM 550 O GLU A 39 1.048 5.543 -0.874 1.00 0.00 O ATOM 551 CB GLU A 39 3.531 7.248 -0.288 1.00 0.00 C ATOM 552 CG GLU A 39 3.389 7.994 -1.604 1.00 0.00 C ATOM 553 CD GLU A 39 4.677 8.669 -2.035 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.206 9.488 -1.256 1.00 0.00 O ATOM 555 OE2 GLU A 39 5.154 8.377 -3.151 1.00 0.00 O ATOM 0 H GLU A 39 2.832 5.317 1.351 1.00 0.00 H new ATOM 0 HA GLU A 39 1.967 8.106 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.270 7.757 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.916 6.248 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.071 7.297 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.604 8.744 -1.509 1.00 0.00 H new ATOM 562 N VAL A 40 0.191 7.619 -0.739 1.00 0.00 N ATOM 563 CA VAL A 40 -0.934 7.330 -1.620 1.00 0.00 C ATOM 564 C VAL A 40 -0.487 6.530 -2.839 1.00 0.00 C ATOM 565 O VAL A 40 0.250 7.033 -3.688 1.00 0.00 O ATOM 566 CB VAL A 40 -1.624 8.623 -2.093 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.782 8.301 -3.024 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.099 9.440 -0.900 1.00 0.00 C ATOM 0 H VAL A 40 0.215 8.576 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.644 6.739 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.899 9.219 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.257 9.227 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.410 7.761 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.511 7.684 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.584 10.350 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.808 8.853 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.245 9.702 -0.276 1.00 0.00 H new ATOM 578 N LEU A 41 -0.937 5.283 -2.919 1.00 0.00 N ATOM 579 CA LEU A 41 -0.584 4.413 -4.036 1.00 0.00 C ATOM 580 C LEU A 41 -1.721 4.341 -5.051 1.00 0.00 C ATOM 581 O LEU A 41 -2.020 3.275 -5.587 1.00 0.00 O ATOM 582 CB LEU A 41 -0.249 3.010 -3.528 1.00 0.00 C ATOM 583 CG LEU A 41 0.442 2.936 -2.165 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.224 1.572 -1.529 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.928 3.230 -2.304 1.00 0.00 C ATOM 0 H LEU A 41 -1.547 4.851 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 41 0.292 4.833 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.173 2.434 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.390 2.522 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 41 0.002 3.692 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.723 1.538 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.844 1.400 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.637 0.798 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.403 3.173 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.383 2.498 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.064 4.230 -2.716 1.00 0.00 H new ATOM 597 N ALA A 42 -2.348 5.483 -5.310 1.00 0.00 N ATOM 598 CA ALA A 42 -3.449 5.550 -6.264 1.00 0.00 C ATOM 599 C ALA A 42 -2.941 5.863 -7.667 1.00 0.00 C ATOM 600 O ALA A 42 -3.201 5.119 -8.612 1.00 0.00 O ATOM 601 CB ALA A 42 -4.466 6.593 -5.824 1.00 0.00 C ATOM 0 H ALA A 42 -2.113 6.374 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.934 4.574 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.282 6.632 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.861 6.326 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.985 7.569 -5.767 1.00 0.00 H new ATOM 607 N ASP A 43 -2.216 6.969 -7.796 1.00 0.00 N ATOM 608 CA ASP A 43 -1.671 7.381 -9.084 1.00 0.00 C ATOM 609 C ASP A 43 -0.276 6.800 -9.295 1.00 0.00 C ATOM 610 O ASP A 43 0.001 6.184 -10.325 1.00 0.00 O ATOM 611 CB ASP A 43 -1.621 8.907 -9.177 1.00 0.00 C ATOM 612 CG ASP A 43 -2.969 9.511 -9.517 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.778 9.720 -8.589 1.00 0.00 O ATOM 614 OD2 ASP A 43 -3.216 9.775 -10.713 1.00 0.00 O ATOM 0 H ASP A 43 -1.992 7.596 -7.024 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.326 6.999 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.273 9.315 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.894 9.198 -9.935 1.00 0.00 H new ATOM 619 N ILE A 44 0.597 7.001 -8.314 1.00 0.00 N ATOM 620 CA ILE A 44 1.963 6.497 -8.392 1.00 0.00 C ATOM 621 C ILE A 44 1.980 4.985 -8.583 1.00 0.00 C ATOM 622 O ILE A 44 2.872 4.441 -9.233 1.00 0.00 O ATOM 623 CB ILE A 44 2.767 6.854 -7.129 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.157 6.175 -5.901 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.814 8.362 -6.938 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.012 6.290 -4.659 1.00 0.00 C ATOM 0 H ILE A 44 0.383 7.509 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 44 2.428 6.975 -9.255 1.00 0.00 H new ATOM 0 HB ILE A 44 3.788 6.492 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.180 6.614 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.993 5.120 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.386 8.597 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.290 8.824 -7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.800 8.747 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.517 5.786 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.981 5.825 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.155 7.342 -4.412 1.00 0.00 H new ATOM 638 N GLY A 45 0.986 4.310 -8.013 1.00 0.00 N ATOM 639 CA GLY A 45 0.905 2.866 -8.134 1.00 0.00 C ATOM 640 C GLY A 45 1.368 2.153 -6.879 1.00 0.00 C ATOM 641 O GLY A 45 1.819 2.788 -5.926 1.00 0.00 O ATOM 0 H GLY A 45 0.236 4.737 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.124 2.580 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.512 2.540 -8.978 1.00 0.00 H new ATOM 645 N PHE A 46 1.255 0.829 -6.877 1.00 0.00 N ATOM 646 CA PHE A 46 1.663 0.028 -5.728 1.00 0.00 C ATOM 647 C PHE A 46 2.379 -1.242 -6.178 1.00 0.00 C ATOM 648 O PHE A 46 2.343 -1.607 -7.353 1.00 0.00 O ATOM 649 CB PHE A 46 0.447 -0.334 -4.874 1.00 0.00 C ATOM 650 CG PHE A 46 -0.442 -1.368 -5.503 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.180 -1.069 -6.637 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.538 -2.640 -4.961 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.998 -2.019 -7.219 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.355 -3.594 -5.539 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.086 -3.283 -6.668 1.00 0.00 C ATOM 0 H PHE A 46 0.884 0.288 -7.658 1.00 0.00 H new ATOM 0 HA PHE A 46 2.354 0.622 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.789 -0.701 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.135 0.568 -4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.115 -0.082 -7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.031 -2.889 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.568 -1.774 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.421 -4.582 -5.108 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.726 -4.027 -7.120 1.00 0.00 H new ATOM 665 N VAL A 47 3.031 -1.913 -5.233 1.00 0.00 N ATOM 666 CA VAL A 47 3.755 -3.143 -5.530 1.00 0.00 C ATOM 667 C VAL A 47 3.531 -4.189 -4.443 1.00 0.00 C ATOM 668 O VAL A 47 4.070 -4.082 -3.342 1.00 0.00 O ATOM 669 CB VAL A 47 5.267 -2.884 -5.672 1.00 0.00 C ATOM 670 CG1 VAL A 47 5.999 -4.171 -6.020 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.527 -1.813 -6.721 1.00 0.00 C ATOM 0 H VAL A 47 3.072 -1.625 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 47 3.367 -3.518 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 47 5.648 -2.525 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.066 -3.968 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.839 -4.905 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.618 -4.563 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.600 -1.642 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.132 -2.142 -7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.035 -0.886 -6.425 1.00 0.00 H new ATOM 681 N LYS A 48 2.731 -5.201 -4.761 1.00 0.00 N ATOM 682 CA LYS A 48 2.435 -6.270 -3.814 1.00 0.00 C ATOM 683 C LYS A 48 3.720 -6.898 -3.284 1.00 0.00 C ATOM 684 O LYS A 48 4.646 -7.174 -4.045 1.00 0.00 O ATOM 685 CB LYS A 48 1.566 -7.341 -4.477 1.00 0.00 C ATOM 686 CG LYS A 48 0.077 -7.129 -4.271 1.00 0.00 C ATOM 687 CD LYS A 48 -0.325 -7.362 -2.824 1.00 0.00 C ATOM 688 CE LYS A 48 -0.458 -8.845 -2.515 1.00 0.00 C ATOM 689 NZ LYS A 48 -1.440 -9.098 -1.424 1.00 0.00 N ATOM 0 H LYS A 48 2.276 -5.304 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 48 1.890 -5.838 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.778 -7.358 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.843 -8.318 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.191 -6.114 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.481 -7.806 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.418 -6.917 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.272 -6.861 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.769 -9.377 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.515 -9.245 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.428 -10.107 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.186 -8.531 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.393 -8.833 -1.746 1.00 0.00 H new ATOM 703 N ASN A 49 3.767 -7.123 -1.975 1.00 0.00 N ATOM 704 CA ASN A 49 4.939 -7.720 -1.344 1.00 0.00 C ATOM 705 C ASN A 49 4.609 -8.206 0.065 1.00 0.00 C ATOM 706 O ASN A 49 4.093 -7.451 0.888 1.00 0.00 O ATOM 707 CB ASN A 49 6.086 -6.710 -1.291 1.00 0.00 C ATOM 708 CG ASN A 49 7.445 -7.381 -1.225 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.608 -8.522 -1.658 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.428 -6.673 -0.680 1.00 0.00 N ATOM 0 H ASN A 49 3.008 -6.901 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 49 5.246 -8.577 -1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.043 -6.069 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.959 -6.066 -0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.364 -7.072 -0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.247 -5.731 -0.334 1.00 0.00 H new ATOM 717 N ALA A 50 4.913 -9.472 0.334 1.00 0.00 N ATOM 718 CA ALA A 50 4.652 -10.058 1.643 1.00 0.00 C ATOM 719 C ALA A 50 3.246 -9.718 2.126 1.00 0.00 C ATOM 720 O ALA A 50 3.019 -9.525 3.320 1.00 0.00 O ATOM 721 CB ALA A 50 5.688 -9.582 2.650 1.00 0.00 C ATOM 0 H ALA A 50 5.340 -10.111 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 50 4.723 -11.142 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.481 -10.027 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.682 -9.881 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.644 -8.496 2.731 1.00 0.00 H new ATOM 727 N GLY A 51 2.304 -9.646 1.190 1.00 0.00 N ATOM 728 CA GLY A 51 0.933 -9.328 1.541 1.00 0.00 C ATOM 729 C GLY A 51 0.773 -7.900 2.024 1.00 0.00 C ATOM 730 O GLY A 51 -0.065 -7.617 2.879 1.00 0.00 O ATOM 0 H GLY A 51 2.466 -9.802 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.293 -9.488 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.593 -10.011 2.319 1.00 0.00 H new ATOM 734 N ARG A 52 1.582 -6.998 1.476 1.00 0.00 N ATOM 735 CA ARG A 52 1.529 -5.592 1.858 1.00 0.00 C ATOM 736 C ARG A 52 1.686 -4.690 0.638 1.00 0.00 C ATOM 737 O ARG A 52 2.406 -5.023 -0.304 1.00 0.00 O ATOM 738 CB ARG A 52 2.622 -5.278 2.882 1.00 0.00 C ATOM 739 CG ARG A 52 2.574 -6.165 4.115 1.00 0.00 C ATOM 740 CD ARG A 52 3.882 -6.115 4.889 1.00 0.00 C ATOM 741 NE ARG A 52 3.953 -7.154 5.913 1.00 0.00 N ATOM 742 CZ ARG A 52 4.713 -7.065 6.998 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.463 -5.990 7.200 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.724 -8.052 7.885 1.00 0.00 N ATOM 0 H ARG A 52 2.281 -7.216 0.766 1.00 0.00 H new ATOM 0 HA ARG A 52 0.554 -5.400 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.596 -5.385 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.531 -4.236 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.755 -5.848 4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.365 -7.193 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.717 -6.230 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.989 -5.137 5.357 1.00 0.00 H new ATOM 0 HE ARG A 52 3.388 -7.994 5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.457 -5.229 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.046 -5.924 8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.148 -8.880 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.308 -7.982 8.718 1.00 0.00 H new ATOM 758 N HIS A 53 1.007 -3.548 0.661 1.00 0.00 N ATOM 759 CA HIS A 53 1.071 -2.598 -0.444 1.00 0.00 C ATOM 760 C HIS A 53 2.217 -1.610 -0.245 1.00 0.00 C ATOM 761 O HIS A 53 2.222 -0.833 0.710 1.00 0.00 O ATOM 762 CB HIS A 53 -0.252 -1.842 -0.572 1.00 0.00 C ATOM 763 CG HIS A 53 -0.738 -1.262 0.720 1.00 0.00 C ATOM 764 ND1 HIS A 53 0.035 -1.211 1.861 1.00 0.00 N ATOM 765 CD2 HIS A 53 -1.927 -0.704 1.049 1.00 0.00 C ATOM 766 CE1 HIS A 53 -0.657 -0.648 2.835 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.851 -0.331 2.368 1.00 0.00 N ATOM 0 H HIS A 53 0.406 -3.258 1.432 1.00 0.00 H new ATOM 0 HA HIS A 53 1.251 -3.158 -1.362 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.133 -1.039 -1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.011 -2.518 -0.965 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.992 -1.555 1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.777 -0.576 0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.306 -0.476 3.842 1.00 0.00 H new ATOM 776 N LEU A 54 3.186 -1.646 -1.153 1.00 0.00 N ATOM 777 CA LEU A 54 4.339 -0.755 -1.077 1.00 0.00 C ATOM 778 C LEU A 54 4.479 0.063 -2.357 1.00 0.00 C ATOM 779 O LEU A 54 3.989 -0.331 -3.415 1.00 0.00 O ATOM 780 CB LEU A 54 5.616 -1.560 -0.830 1.00 0.00 C ATOM 781 CG LEU A 54 5.476 -2.775 0.089 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.787 -3.543 0.161 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.031 -2.344 1.479 1.00 0.00 C ATOM 0 H LEU A 54 3.196 -2.282 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 54 4.183 -0.069 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.000 -1.899 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.366 -0.893 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 54 4.714 -3.435 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.669 -4.404 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.064 -3.884 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.569 -2.892 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.937 -3.221 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.769 -1.663 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.068 -1.838 1.412 1.00 0.00 H new ATOM 795 N CYS A 55 5.154 1.203 -2.253 1.00 0.00 N ATOM 796 CA CYS A 55 5.362 2.076 -3.401 1.00 0.00 C ATOM 797 C CYS A 55 6.700 1.783 -4.073 1.00 0.00 C ATOM 798 O CYS A 55 7.657 1.367 -3.419 1.00 0.00 O ATOM 799 CB CYS A 55 5.306 3.543 -2.970 1.00 0.00 C ATOM 800 SG CYS A 55 6.687 4.055 -1.897 1.00 0.00 S ATOM 0 H CYS A 55 5.566 1.544 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 55 4.565 1.884 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.299 4.172 -3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.367 3.721 -2.446 1.00 0.00 H new ATOM 805 N ARG A 56 6.759 2.003 -5.383 1.00 0.00 N ATOM 806 CA ARG A 56 7.979 1.761 -6.144 1.00 0.00 C ATOM 807 C ARG A 56 9.213 2.123 -5.322 1.00 0.00 C ATOM 808 O ARG A 56 10.142 1.330 -5.169 1.00 0.00 O ATOM 809 CB ARG A 56 7.964 2.568 -7.443 1.00 0.00 C ATOM 810 CG ARG A 56 7.549 1.757 -8.659 1.00 0.00 C ATOM 811 CD ARG A 56 8.221 2.267 -9.925 1.00 0.00 C ATOM 812 NE ARG A 56 7.572 1.759 -11.131 1.00 0.00 N ATOM 813 CZ ARG A 56 8.187 1.645 -12.303 1.00 0.00 C ATOM 814 NH1 ARG A 56 9.458 2.000 -12.426 1.00 0.00 N ATOM 815 NH2 ARG A 56 7.529 1.175 -13.355 1.00 0.00 N ATOM 0 H ARG A 56 5.977 2.348 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 56 8.022 0.699 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.282 3.411 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.957 2.982 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.808 0.710 -8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.466 1.803 -8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.199 3.357 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.269 1.969 -9.924 1.00 0.00 H new ATOM 0 HE ARG A 56 6.594 1.477 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.967 2.362 -11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.927 1.911 -13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.551 0.901 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.001 1.088 -14.255 1.00 0.00 H new ATOM 829 N PRO A 57 9.224 3.350 -4.780 1.00 0.00 N ATOM 830 CA PRO A 57 10.337 3.846 -3.965 1.00 0.00 C ATOM 831 C PRO A 57 10.765 2.844 -2.898 1.00 0.00 C ATOM 832 O PRO A 57 11.896 2.356 -2.908 1.00 0.00 O ATOM 833 CB PRO A 57 9.767 5.108 -3.315 1.00 0.00 C ATOM 834 CG PRO A 57 8.703 5.569 -4.251 1.00 0.00 C ATOM 835 CD PRO A 57 8.150 4.348 -4.921 1.00 0.00 C ATOM 0 HA PRO A 57 11.231 4.025 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.360 4.895 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.537 5.869 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.919 6.101 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.111 6.262 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.229 4.013 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.916 4.538 -5.969 1.00 0.00 H new ATOM 843 N CYS A 58 9.855 2.541 -1.978 1.00 0.00 N ATOM 844 CA CYS A 58 10.138 1.597 -0.904 1.00 0.00 C ATOM 845 C CYS A 58 10.472 0.218 -1.465 1.00 0.00 C ATOM 846 O CYS A 58 11.613 -0.238 -1.381 1.00 0.00 O ATOM 847 CB CYS A 58 8.941 1.498 0.044 1.00 0.00 C ATOM 848 SG CYS A 58 8.541 3.054 0.902 1.00 0.00 S ATOM 0 H CYS A 58 8.915 2.936 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 58 11.003 1.963 -0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.068 1.173 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.143 0.727 0.788 1.00 0.00 H new ATOM 853 N HIS A 59 9.470 -0.441 -2.037 1.00 0.00 N ATOM 854 CA HIS A 59 9.657 -1.768 -2.614 1.00 0.00 C ATOM 855 C HIS A 59 11.032 -1.888 -3.265 1.00 0.00 C ATOM 856 O HIS A 59 11.699 -2.915 -3.143 1.00 0.00 O ATOM 857 CB HIS A 59 8.565 -2.058 -3.643 1.00 0.00 C ATOM 858 CG HIS A 59 8.682 -3.412 -4.274 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.865 -3.774 -5.566 1.00 0.00 N flip ATOM 860 CD2 HIS A 59 8.611 -4.586 -3.555 1.00 0.00 C flip ATOM 861 CE1 HIS A 59 8.901 -5.146 -5.603 1.00 0.00 C flip ATOM 862 NE2 HIS A 59 8.746 -5.612 -4.377 1.00 0.00 N flip ATOM 0 H HIS A 59 8.520 -0.078 -2.114 1.00 0.00 H new ATOM 0 HA HIS A 59 9.590 -2.500 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.591 -1.974 -3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.601 -1.298 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.467 -4.656 -2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.034 -5.747 -6.491 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.733 -6.596 -4.110 1.00 0.00 H new ATOM 871 N ASN A 60 11.448 -0.832 -3.956 1.00 0.00 N ATOM 872 CA ASN A 60 12.743 -0.820 -4.628 1.00 0.00 C ATOM 873 C ASN A 60 13.882 -0.799 -3.613 1.00 0.00 C ATOM 874 O ASN A 60 14.875 -1.511 -3.763 1.00 0.00 O ATOM 875 CB ASN A 60 12.849 0.391 -5.556 1.00 0.00 C ATOM 876 CG ASN A 60 12.145 0.168 -6.880 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.323 -0.867 -7.523 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.342 1.141 -7.295 1.00 0.00 N ATOM 0 H ASN A 60 10.908 0.026 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 60 12.825 -1.731 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.420 1.263 -5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.900 0.614 -5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.843 1.048 -8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.225 1.982 -6.729 1.00 0.00 H new ATOM 885 N ARG A 61 13.731 0.024 -2.580 1.00 0.00 N ATOM 886 CA ARG A 61 14.747 0.139 -1.540 1.00 0.00 C ATOM 887 C ARG A 61 14.984 -1.206 -0.860 1.00 0.00 C ATOM 888 O ARG A 61 16.125 -1.588 -0.602 1.00 0.00 O ATOM 889 CB ARG A 61 14.327 1.180 -0.501 1.00 0.00 C ATOM 890 CG ARG A 61 14.432 2.613 -0.997 1.00 0.00 C ATOM 891 CD ARG A 61 13.578 3.555 -0.163 1.00 0.00 C ATOM 892 NE ARG A 61 13.449 4.871 -0.784 1.00 0.00 N ATOM 893 CZ ARG A 61 14.295 5.872 -0.566 1.00 0.00 C ATOM 894 NH1 ARG A 61 15.325 5.708 0.253 1.00 0.00 N ATOM 895 NH2 ARG A 61 14.111 7.040 -1.168 1.00 0.00 N ATOM 0 H ARG A 61 12.915 0.621 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 61 15.677 0.458 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.298 0.984 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.948 1.066 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.472 2.936 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.118 2.662 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.588 3.121 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.019 3.663 0.828 1.00 0.00 H new ATOM 0 HE ARG A 61 12.667 5.030 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.469 4.811 0.718 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.973 6.478 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.320 7.170 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.761 7.808 -1.000 1.00 0.00 H new ATOM 909 N GLU A 62 13.899 -1.919 -0.574 1.00 0.00 N ATOM 910 CA GLU A 62 13.991 -3.221 0.076 1.00 0.00 C ATOM 911 C GLU A 62 14.516 -4.277 -0.892 1.00 0.00 C ATOM 912 O GLU A 62 15.603 -4.824 -0.703 1.00 0.00 O ATOM 913 CB GLU A 62 12.623 -3.643 0.616 1.00 0.00 C ATOM 914 CG GLU A 62 11.876 -2.525 1.323 1.00 0.00 C ATOM 915 CD GLU A 62 12.199 -2.451 2.802 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.603 -3.485 3.374 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.048 -1.359 3.388 1.00 0.00 O ATOM 0 H GLU A 62 12.947 -1.617 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 62 14.691 -3.135 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.013 -4.010 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.756 -4.474 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.124 -1.573 0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.804 -2.673 1.196 1.00 0.00 H new ATOM 924 N LYS A 63 13.736 -4.560 -1.929 1.00 0.00 N ATOM 925 CA LYS A 63 14.120 -5.550 -2.929 1.00 0.00 C ATOM 926 C LYS A 63 15.529 -5.281 -3.447 1.00 0.00 C ATOM 927 O LYS A 63 16.292 -6.210 -3.711 1.00 0.00 O ATOM 928 CB LYS A 63 13.127 -5.542 -4.093 1.00 0.00 C ATOM 929 CG LYS A 63 13.274 -4.339 -5.009 1.00 0.00 C ATOM 930 CD LYS A 63 12.022 -4.116 -5.840 1.00 0.00 C ATOM 931 CE LYS A 63 11.814 -5.235 -6.849 1.00 0.00 C ATOM 932 NZ LYS A 63 11.054 -4.772 -8.043 1.00 0.00 N ATOM 0 H LYS A 63 12.833 -4.118 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 63 14.107 -6.532 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.259 -6.452 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.113 -5.563 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.480 -3.450 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.129 -4.485 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.155 -4.052 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.097 -3.163 -6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.782 -5.625 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.278 -6.057 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.699 -5.596 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.252 -4.185 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.679 -4.212 -8.657 1.00 0.00 H new ATOM 946 N ALA A 64 15.869 -4.004 -3.589 1.00 0.00 N ATOM 947 CA ALA A 64 17.188 -3.613 -4.072 1.00 0.00 C ATOM 948 C ALA A 64 18.263 -4.569 -3.565 1.00 0.00 C ATOM 949 O ALA A 64 18.453 -4.721 -2.359 1.00 0.00 O ATOM 950 CB ALA A 64 17.504 -2.187 -3.647 1.00 0.00 C ATOM 0 H ALA A 64 15.249 -3.222 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 64 17.179 -3.662 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.492 -1.908 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.758 -1.510 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.489 -2.120 -2.559 1.00 0.00 H new ATOM 956 N SER A 65 18.964 -5.210 -4.495 1.00 0.00 N ATOM 957 CA SER A 65 20.017 -6.154 -4.143 1.00 0.00 C ATOM 958 C SER A 65 21.317 -5.423 -3.820 1.00 0.00 C ATOM 959 O SER A 65 21.663 -4.435 -4.466 1.00 0.00 O ATOM 960 CB SER A 65 20.247 -7.145 -5.285 1.00 0.00 C ATOM 961 OG SER A 65 20.957 -8.286 -4.836 1.00 0.00 O ATOM 0 H SER A 65 18.821 -5.092 -5.498 1.00 0.00 H new ATOM 0 HA SER A 65 19.697 -6.701 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.288 -7.451 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.804 -6.659 -6.086 1.00 0.00 H new ATOM 0 HG SER A 65 21.089 -8.904 -5.585 1.00 0.00 H new ATOM 967 N GLY A 66 22.033 -5.916 -2.814 1.00 0.00 N ATOM 968 CA GLY A 66 23.286 -5.298 -2.422 1.00 0.00 C ATOM 969 C GLY A 66 24.493 -6.089 -2.886 1.00 0.00 C ATOM 970 O GLY A 66 24.369 -7.128 -3.536 1.00 0.00 O ATOM 0 H GLY A 66 21.767 -6.733 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 66 23.335 -4.290 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 66 23.315 -5.200 -1.337 1.00 0.00 H new ATOM 974 N PRO A 67 25.694 -5.595 -2.551 1.00 0.00 N ATOM 975 CA PRO A 67 26.951 -6.247 -2.929 1.00 0.00 C ATOM 976 C PRO A 67 27.173 -7.557 -2.180 1.00 0.00 C ATOM 977 O PRO A 67 28.202 -8.211 -2.346 1.00 0.00 O ATOM 978 CB PRO A 67 28.016 -5.219 -2.535 1.00 0.00 C ATOM 979 CG PRO A 67 27.384 -4.415 -1.452 1.00 0.00 C ATOM 980 CD PRO A 67 25.917 -4.362 -1.778 1.00 0.00 C ATOM 0 HA PRO A 67 26.969 -6.517 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 67 28.927 -5.706 -2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 67 28.294 -4.592 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 67 27.551 -4.874 -0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 67 27.811 -3.413 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 67 25.306 -4.337 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 67 25.666 -3.474 -2.358 1.00 0.00 H new ATOM 988 N SER A 68 26.201 -7.934 -1.356 1.00 0.00 N ATOM 989 CA SER A 68 26.291 -9.164 -0.579 1.00 0.00 C ATOM 990 C SER A 68 25.046 -10.023 -0.775 1.00 0.00 C ATOM 991 O SER A 68 23.928 -9.587 -0.499 1.00 0.00 O ATOM 992 CB SER A 68 26.475 -8.843 0.905 1.00 0.00 C ATOM 993 OG SER A 68 26.941 -9.976 1.618 1.00 0.00 O ATOM 0 H SER A 68 25.341 -7.405 -1.209 1.00 0.00 H new ATOM 0 HA SER A 68 27.157 -9.724 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 68 27.183 -8.022 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 68 25.528 -8.507 1.328 1.00 0.00 H new ATOM 0 HG SER A 68 27.052 -9.744 2.564 1.00 0.00 H new ATOM 999 N SER A 69 25.247 -11.247 -1.252 1.00 0.00 N ATOM 1000 CA SER A 69 24.141 -12.167 -1.489 1.00 0.00 C ATOM 1001 C SER A 69 23.216 -12.227 -0.277 1.00 0.00 C ATOM 1002 O SER A 69 23.649 -12.039 0.859 1.00 0.00 O ATOM 1003 CB SER A 69 24.673 -13.566 -1.809 1.00 0.00 C ATOM 1004 OG SER A 69 25.561 -14.017 -0.800 1.00 0.00 O ATOM 0 H SER A 69 26.166 -11.625 -1.482 1.00 0.00 H new ATOM 0 HA SER A 69 23.571 -11.799 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.840 -14.263 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.187 -13.552 -2.770 1.00 0.00 H new ATOM 0 HG SER A 69 25.886 -14.913 -1.027 1.00 0.00 H new ATOM 1010 N GLY A 70 21.937 -12.491 -0.529 1.00 0.00 N ATOM 1011 CA GLY A 70 20.970 -12.571 0.549 1.00 0.00 C ATOM 1012 C GLY A 70 19.595 -12.087 0.132 1.00 0.00 C ATOM 1013 O GLY A 70 18.855 -11.585 0.977 1.00 0.00 O ATOM 0 H GLY A 70 21.554 -12.651 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.899 -13.603 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 70 21.321 -11.976 1.392 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.282 4.180 2.462 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.658 3.598 0.294 1.00 0.00 ZN