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 23 MET CE :methyl -175:sc= -0.0568 (180deg=-0.0739) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -1.94 K(o=-2,f=-3.6) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0477 (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 9 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=-0.14) USER MOD Single : A 10 GLN : amide:sc= -0.067 K(o=-0.067,f=-1.9!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 25 ASN : amide:sc= -2.98! C(o=-3!,f=-2.9!) USER MOD Single : A 26 SER OG : rot 49:sc= 0.957 USER MOD Single : A 38 GLN : amide:sc= 0.302 X(o=0.3,f=-0.0015) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.79 K(o=-1.8,f=-5.7!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -6.38! C(o=-7.6!,f=-6.4!) USER MOD Single : A 60 ASN : amide:sc= -2.88! C(o=-2.9!,f=-3.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -49:sc= 0.781 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 -27.579 -1.883 -14.523 1.00 0.00 N ATOM 2 CA GLY A 1 -26.729 -1.689 -13.362 1.00 0.00 C ATOM 3 C GLY A 1 -25.743 -2.824 -13.170 1.00 0.00 C ATOM 4 O GLY A 1 -25.431 -3.551 -14.113 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.533 -1.041 -15.132 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.253 -2.714 -15.057 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.560 -2.033 -14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.183 -0.751 -13.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.351 -1.597 -12.471 1.00 0.00 H new ATOM 8 N SER A 2 -25.249 -2.976 -11.945 1.00 0.00 N ATOM 9 CA SER A 2 -24.288 -4.027 -11.633 1.00 0.00 C ATOM 10 C SER A 2 -24.643 -4.714 -10.318 1.00 0.00 C ATOM 11 O SER A 2 -25.092 -4.071 -9.370 1.00 0.00 O ATOM 12 CB SER A 2 -22.874 -3.447 -11.554 1.00 0.00 C ATOM 13 OG SER A 2 -21.935 -4.443 -11.187 1.00 0.00 O ATOM 0 H SER A 2 -25.499 -2.384 -11.153 1.00 0.00 H new ATOM 0 HA SER A 2 -24.325 -4.768 -12.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.598 -3.020 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.851 -2.635 -10.827 1.00 0.00 H new ATOM 0 HG SER A 2 -21.039 -4.048 -11.145 1.00 0.00 H new ATOM 19 N SER A 3 -24.437 -6.027 -10.270 1.00 0.00 N ATOM 20 CA SER A 3 -24.738 -6.804 -9.073 1.00 0.00 C ATOM 21 C SER A 3 -23.496 -6.963 -8.202 1.00 0.00 C ATOM 22 O SER A 3 -22.766 -7.947 -8.315 1.00 0.00 O ATOM 23 CB SER A 3 -25.285 -8.180 -9.458 1.00 0.00 C ATOM 24 OG SER A 3 -25.351 -9.036 -8.330 1.00 0.00 O ATOM 0 H SER A 3 -24.063 -6.574 -11.045 1.00 0.00 H new ATOM 0 HA SER A 3 -25.495 -6.267 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.278 -8.071 -9.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.648 -8.627 -10.221 1.00 0.00 H new ATOM 0 HG SER A 3 -25.705 -9.908 -8.602 1.00 0.00 H new ATOM 30 N GLY A 4 -23.262 -5.985 -7.331 1.00 0.00 N ATOM 31 CA GLY A 4 -22.108 -6.035 -6.453 1.00 0.00 C ATOM 32 C GLY A 4 -21.730 -4.669 -5.916 1.00 0.00 C ATOM 33 O GLY A 4 -21.643 -3.700 -6.670 1.00 0.00 O ATOM 0 H GLY A 4 -23.851 -5.160 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.318 -6.705 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.261 -6.456 -6.994 1.00 0.00 H new ATOM 37 N SER A 5 -21.505 -4.590 -4.608 1.00 0.00 N ATOM 38 CA SER A 5 -21.139 -3.331 -3.970 1.00 0.00 C ATOM 39 C SER A 5 -19.623 -3.192 -3.872 1.00 0.00 C ATOM 40 O SER A 5 -18.947 -4.044 -3.296 1.00 0.00 O ATOM 41 CB SER A 5 -21.762 -3.241 -2.576 1.00 0.00 C ATOM 42 OG SER A 5 -23.166 -3.431 -2.631 1.00 0.00 O ATOM 0 H SER A 5 -21.570 -5.383 -3.970 1.00 0.00 H new ATOM 0 HA SER A 5 -21.522 -2.516 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.315 -3.993 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.540 -2.268 -2.137 1.00 0.00 H new ATOM 0 HG SER A 5 -23.540 -3.371 -1.727 1.00 0.00 H new ATOM 48 N SER A 6 -19.096 -2.111 -4.439 1.00 0.00 N ATOM 49 CA SER A 6 -17.660 -1.861 -4.419 1.00 0.00 C ATOM 50 C SER A 6 -17.305 -0.814 -3.368 1.00 0.00 C ATOM 51 O SER A 6 -17.313 0.385 -3.643 1.00 0.00 O ATOM 52 CB SER A 6 -17.182 -1.399 -5.798 1.00 0.00 C ATOM 53 OG SER A 6 -16.929 -2.505 -6.647 1.00 0.00 O ATOM 0 H SER A 6 -19.642 -1.395 -4.918 1.00 0.00 H new ATOM 0 HA SER A 6 -17.158 -2.793 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.936 -0.754 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.275 -0.803 -5.691 1.00 0.00 H new ATOM 0 HG SER A 6 -16.627 -2.183 -7.522 1.00 0.00 H new ATOM 59 N GLY A 7 -16.993 -1.277 -2.162 1.00 0.00 N ATOM 60 CA GLY A 7 -16.639 -0.369 -1.087 1.00 0.00 C ATOM 61 C GLY A 7 -15.183 -0.487 -0.683 1.00 0.00 C ATOM 62 O GLY A 7 -14.571 -1.544 -0.841 1.00 0.00 O ATOM 0 H GLY A 7 -16.979 -2.265 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.844 0.655 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.270 -0.572 -0.222 1.00 0.00 H new ATOM 66 N CYS A 8 -14.625 0.600 -0.161 1.00 0.00 N ATOM 67 CA CYS A 8 -13.231 0.615 0.265 1.00 0.00 C ATOM 68 C CYS A 8 -13.004 -0.357 1.419 1.00 0.00 C ATOM 69 O CYS A 8 -13.864 -0.520 2.286 1.00 0.00 O ATOM 70 CB CYS A 8 -12.819 2.028 0.685 1.00 0.00 C ATOM 71 SG CYS A 8 -11.307 2.091 1.699 1.00 0.00 S ATOM 0 H CYS A 8 -15.117 1.483 -0.023 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.616 0.300 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.669 2.632 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.637 2.483 1.243 1.00 0.00 H new ATOM 76 N HIS A 9 -11.841 -1.000 1.425 1.00 0.00 N ATOM 77 CA HIS A 9 -11.500 -1.955 2.473 1.00 0.00 C ATOM 78 C HIS A 9 -10.773 -1.264 3.622 1.00 0.00 C ATOM 79 O HIS A 9 -10.993 -1.585 4.790 1.00 0.00 O ATOM 80 CB HIS A 9 -10.632 -3.078 1.906 1.00 0.00 C ATOM 81 CG HIS A 9 -10.527 -4.268 2.809 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.617 -4.837 3.433 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.453 -4.999 3.190 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.218 -5.865 4.161 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.909 -5.985 4.030 1.00 0.00 N ATOM 0 H HIS A 9 -11.119 -0.877 0.716 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.427 -2.381 2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.043 -3.395 0.947 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.632 -2.690 1.712 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.428 -4.837 2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.854 -6.499 4.761 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.331 -6.695 4.480 1.00 0.00 H new ATOM 94 N GLN A 10 -9.906 -0.315 3.283 1.00 0.00 N ATOM 95 CA GLN A 10 -9.145 0.419 4.287 1.00 0.00 C ATOM 96 C GLN A 10 -10.051 0.886 5.422 1.00 0.00 C ATOM 97 O GLN A 10 -9.973 0.378 6.541 1.00 0.00 O ATOM 98 CB GLN A 10 -8.446 1.621 3.649 1.00 0.00 C ATOM 99 CG GLN A 10 -7.634 2.445 4.635 1.00 0.00 C ATOM 100 CD GLN A 10 -6.248 1.876 4.868 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.779 1.024 4.113 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.584 2.345 5.918 1.00 0.00 N ATOM 0 H GLN A 10 -9.713 -0.037 2.321 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.393 -0.253 4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.788 1.269 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.195 2.261 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.546 3.466 4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.166 2.496 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.011 3.051 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.647 1.999 6.125 1.00 0.00 H new ATOM 111 N CYS A 11 -10.910 1.856 5.126 1.00 0.00 N ATOM 112 CA CYS A 11 -11.830 2.392 6.121 1.00 0.00 C ATOM 113 C CYS A 11 -13.139 1.607 6.131 1.00 0.00 C ATOM 114 O CYS A 11 -13.667 1.273 7.191 1.00 0.00 O ATOM 115 CB CYS A 11 -12.112 3.870 5.842 1.00 0.00 C ATOM 116 SG CYS A 11 -12.895 4.186 4.228 1.00 0.00 S ATOM 0 H CYS A 11 -10.988 2.287 4.205 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.362 2.296 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.757 4.261 6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.175 4.424 5.894 1.00 0.00 H new ATOM 121 N GLY A 12 -13.657 1.315 4.941 1.00 0.00 N ATOM 122 CA GLY A 12 -14.898 0.572 4.835 1.00 0.00 C ATOM 123 C GLY A 12 -15.980 1.350 4.112 1.00 0.00 C ATOM 124 O GLY A 12 -16.761 0.778 3.352 1.00 0.00 O ATOM 0 H GLY A 12 -13.239 1.580 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.714 -0.364 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.248 0.311 5.834 1.00 0.00 H new ATOM 128 N GLU A 13 -16.026 2.657 4.349 1.00 0.00 N ATOM 129 CA GLU A 13 -17.022 3.513 3.716 1.00 0.00 C ATOM 130 C GLU A 13 -17.123 3.217 2.222 1.00 0.00 C ATOM 131 O GLU A 13 -16.150 2.800 1.593 1.00 0.00 O ATOM 132 CB GLU A 13 -16.671 4.987 3.932 1.00 0.00 C ATOM 133 CG GLU A 13 -16.519 5.367 5.395 1.00 0.00 C ATOM 134 CD GLU A 13 -17.852 5.582 6.084 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.461 6.653 5.877 1.00 0.00 O ATOM 136 OE2 GLU A 13 -18.287 4.680 6.831 1.00 0.00 O ATOM 0 H GLU A 13 -15.385 3.146 4.974 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.988 3.305 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.742 5.211 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.447 5.606 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.968 4.583 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.925 6.278 5.470 1.00 0.00 H new ATOM 143 N PHE A 14 -18.307 3.436 1.660 1.00 0.00 N ATOM 144 CA PHE A 14 -18.537 3.192 0.241 1.00 0.00 C ATOM 145 C PHE A 14 -17.815 4.230 -0.613 1.00 0.00 C ATOM 146 O PHE A 14 -17.802 5.417 -0.287 1.00 0.00 O ATOM 147 CB PHE A 14 -20.035 3.215 -0.066 1.00 0.00 C ATOM 148 CG PHE A 14 -20.384 2.616 -1.398 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.140 1.276 -1.656 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.956 3.392 -2.393 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.458 0.723 -2.881 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.277 2.844 -3.621 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.029 1.507 -3.865 1.00 0.00 C ATOM 0 H PHE A 14 -19.122 3.782 2.166 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.139 2.207 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.566 2.674 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.388 4.246 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.696 0.657 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.153 4.437 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.260 -0.322 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.721 3.460 -4.389 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.281 1.076 -4.823 1.00 0.00 H new ATOM 163 N ILE A 15 -17.216 3.773 -1.708 1.00 0.00 N ATOM 164 CA ILE A 15 -16.493 4.661 -2.609 1.00 0.00 C ATOM 165 C ILE A 15 -17.424 5.251 -3.663 1.00 0.00 C ATOM 166 O ILE A 15 -18.202 4.532 -4.291 1.00 0.00 O ATOM 167 CB ILE A 15 -15.336 3.928 -3.314 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.521 3.123 -2.300 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.448 4.922 -4.047 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.710 2.010 -2.925 1.00 0.00 C ATOM 0 H ILE A 15 -17.217 2.793 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.083 5.465 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.755 3.237 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.849 3.797 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.197 2.697 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.635 4.389 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.037 5.455 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.034 5.635 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.158 1.482 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.378 1.314 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.009 2.431 -3.646 1.00 0.00 H new ATOM 182 N ILE A 16 -17.336 6.563 -3.854 1.00 0.00 N ATOM 183 CA ILE A 16 -18.168 7.249 -4.835 1.00 0.00 C ATOM 184 C ILE A 16 -17.332 8.165 -5.721 1.00 0.00 C ATOM 185 O ILE A 16 -16.740 9.134 -5.248 1.00 0.00 O ATOM 186 CB ILE A 16 -19.272 8.081 -4.154 1.00 0.00 C ATOM 187 CG1 ILE A 16 -19.978 7.249 -3.080 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.271 8.581 -5.186 1.00 0.00 C ATOM 189 CD1 ILE A 16 -20.963 8.044 -2.252 1.00 0.00 C ATOM 0 H ILE A 16 -16.697 7.172 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.632 6.477 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.812 8.945 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.502 6.422 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.229 6.812 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.045 9.167 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.757 9.204 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.728 7.730 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.426 7.392 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.441 8.855 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.733 8.459 -2.902 1.00 0.00 H new ATOM 201 N GLY A 17 -17.289 7.852 -7.013 1.00 0.00 N ATOM 202 CA GLY A 17 -16.523 8.657 -7.947 1.00 0.00 C ATOM 203 C GLY A 17 -15.287 7.941 -8.452 1.00 0.00 C ATOM 204 O GLY A 17 -15.264 7.447 -9.579 1.00 0.00 O ATOM 0 H GLY A 17 -17.771 7.055 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.155 8.925 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.227 9.587 -7.462 1.00 0.00 H new ATOM 208 N ARG A 18 -14.254 7.886 -7.617 1.00 0.00 N ATOM 209 CA ARG A 18 -13.007 7.228 -7.987 1.00 0.00 C ATOM 210 C ARG A 18 -12.759 6.002 -7.112 1.00 0.00 C ATOM 211 O ARG A 18 -12.708 6.101 -5.886 1.00 0.00 O ATOM 212 CB ARG A 18 -11.834 8.202 -7.861 1.00 0.00 C ATOM 213 CG ARG A 18 -10.477 7.519 -7.818 1.00 0.00 C ATOM 214 CD ARG A 18 -9.385 8.415 -8.382 1.00 0.00 C ATOM 215 NE ARG A 18 -8.307 7.643 -8.995 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.382 8.174 -9.788 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.403 9.471 -10.060 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.434 7.406 -10.309 1.00 0.00 N ATOM 0 H ARG A 18 -14.256 8.289 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.091 6.903 -9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.856 8.895 -8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.961 8.796 -6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.235 7.252 -6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.517 6.590 -8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.815 9.089 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.978 9.037 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.262 6.642 -8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.130 10.064 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.692 9.876 -10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.415 6.408 -10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.724 7.814 -10.918 1.00 0.00 H new ATOM 232 N VAL A 19 -12.606 4.847 -7.752 1.00 0.00 N ATOM 233 CA VAL A 19 -12.363 3.601 -7.033 1.00 0.00 C ATOM 234 C VAL A 19 -11.007 3.011 -7.399 1.00 0.00 C ATOM 235 O VAL A 19 -10.756 2.678 -8.558 1.00 0.00 O ATOM 236 CB VAL A 19 -13.460 2.561 -7.327 1.00 0.00 C ATOM 237 CG1 VAL A 19 -12.967 1.159 -7.001 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.725 2.885 -6.546 1.00 0.00 C ATOM 0 H VAL A 19 -12.646 4.748 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.376 3.841 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.697 2.599 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.755 0.437 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.091 0.931 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.701 1.103 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.489 2.140 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.506 2.876 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.087 3.872 -6.833 1.00 0.00 H new ATOM 248 N ILE A 20 -10.135 2.884 -6.405 1.00 0.00 N ATOM 249 CA ILE A 20 -8.803 2.332 -6.622 1.00 0.00 C ATOM 250 C ILE A 20 -8.801 0.817 -6.447 1.00 0.00 C ATOM 251 O ILE A 20 -8.859 0.311 -5.326 1.00 0.00 O ATOM 252 CB ILE A 20 -7.773 2.951 -5.660 1.00 0.00 C ATOM 253 CG1 ILE A 20 -7.974 4.465 -5.568 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.359 2.625 -6.117 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.837 5.174 -6.897 1.00 0.00 C ATOM 0 H ILE A 20 -10.327 3.156 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.523 2.577 -7.646 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.921 2.523 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.963 4.668 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.247 4.878 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.642 3.070 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.223 1.544 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.198 3.028 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.992 6.244 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.839 5.002 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.581 4.788 -7.594 1.00 0.00 H new ATOM 267 N LYS A 21 -8.732 0.098 -7.562 1.00 0.00 N ATOM 268 CA LYS A 21 -8.719 -1.360 -7.533 1.00 0.00 C ATOM 269 C LYS A 21 -7.321 -1.885 -7.221 1.00 0.00 C ATOM 270 O LYS A 21 -6.382 -1.670 -7.987 1.00 0.00 O ATOM 271 CB LYS A 21 -9.199 -1.922 -8.872 1.00 0.00 C ATOM 272 CG LYS A 21 -10.704 -1.838 -9.063 1.00 0.00 C ATOM 273 CD LYS A 21 -11.402 -3.082 -8.541 1.00 0.00 C ATOM 274 CE LYS A 21 -12.828 -2.779 -8.106 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.589 -4.021 -7.795 1.00 0.00 N ATOM 0 H LYS A 21 -8.684 0.501 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.396 -1.689 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.708 -1.381 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.889 -2.964 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.089 -0.959 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.931 -1.709 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.412 -3.848 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.842 -3.489 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.810 -2.134 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.339 -2.228 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.555 -3.772 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.628 -4.625 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.116 -4.534 -7.024 1.00 0.00 H new ATOM 289 N ALA A 22 -7.191 -2.576 -6.093 1.00 0.00 N ATOM 290 CA ALA A 22 -5.908 -3.134 -5.683 1.00 0.00 C ATOM 291 C ALA A 22 -6.102 -4.335 -4.763 1.00 0.00 C ATOM 292 O ALA A 22 -7.187 -4.547 -4.223 1.00 0.00 O ATOM 293 CB ALA A 22 -5.065 -2.071 -4.995 1.00 0.00 C ATOM 0 H ALA A 22 -7.958 -2.763 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.385 -3.474 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.110 -2.502 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.889 -1.244 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.591 -1.704 -4.114 1.00 0.00 H new ATOM 299 N MET A 23 -5.042 -5.118 -4.589 1.00 0.00 N ATOM 300 CA MET A 23 -5.096 -6.298 -3.733 1.00 0.00 C ATOM 301 C MET A 23 -6.414 -7.043 -3.918 1.00 0.00 C ATOM 302 O MET A 23 -6.934 -7.645 -2.979 1.00 0.00 O ATOM 303 CB MET A 23 -4.924 -5.898 -2.266 1.00 0.00 C ATOM 304 CG MET A 23 -3.712 -5.016 -2.015 1.00 0.00 C ATOM 305 SD MET A 23 -2.168 -5.795 -2.525 1.00 0.00 S ATOM 306 CE MET A 23 -1.392 -6.080 -0.936 1.00 0.00 C ATOM 0 H MET A 23 -4.136 -4.957 -5.029 1.00 0.00 H new ATOM 0 HA MET A 23 -4.280 -6.962 -4.019 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.820 -5.374 -1.933 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.839 -6.800 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.835 -4.075 -2.552 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.658 -4.772 -0.954 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.388 -6.476 -1.087 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.332 -5.141 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.983 -6.797 -0.366 1.00 0.00 H new ATOM 316 N ASN A 24 -6.949 -6.998 -5.134 1.00 0.00 N ATOM 317 CA ASN A 24 -8.207 -7.669 -5.441 1.00 0.00 C ATOM 318 C ASN A 24 -9.349 -7.089 -4.611 1.00 0.00 C ATOM 319 O ASN A 24 -10.174 -7.826 -4.072 1.00 0.00 O ATOM 320 CB ASN A 24 -8.084 -9.172 -5.181 1.00 0.00 C ATOM 321 CG ASN A 24 -7.345 -9.892 -6.292 1.00 0.00 C ATOM 322 OD1 ASN A 24 -7.824 -9.967 -7.424 1.00 0.00 O ATOM 323 ND2 ASN A 24 -6.172 -10.426 -5.972 1.00 0.00 N ATOM 0 H ASN A 24 -6.531 -6.504 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.429 -7.507 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.563 -9.333 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.080 -9.602 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.629 -10.923 -6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.814 -10.339 -5.021 1.00 0.00 H new ATOM 330 N ASN A 25 -9.390 -5.765 -4.514 1.00 0.00 N ATOM 331 CA ASN A 25 -10.430 -5.086 -3.751 1.00 0.00 C ATOM 332 C ASN A 25 -10.460 -3.596 -4.077 1.00 0.00 C ATOM 333 O ASN A 25 -9.491 -3.044 -4.599 1.00 0.00 O ATOM 334 CB ASN A 25 -10.204 -5.286 -2.251 1.00 0.00 C ATOM 335 CG ASN A 25 -10.591 -6.678 -1.789 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.761 -7.058 -1.839 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.607 -7.446 -1.336 1.00 0.00 N ATOM 0 H ASN A 25 -8.715 -5.140 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.391 -5.520 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.154 -5.107 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.784 -4.548 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.807 -8.392 -1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.652 -7.090 -1.313 1.00 0.00 H new ATOM 344 N SER A 26 -11.579 -2.949 -3.765 1.00 0.00 N ATOM 345 CA SER A 26 -11.736 -1.523 -4.028 1.00 0.00 C ATOM 346 C SER A 26 -11.247 -0.696 -2.843 1.00 0.00 C ATOM 347 O SER A 26 -11.349 -1.119 -1.692 1.00 0.00 O ATOM 348 CB SER A 26 -13.202 -1.197 -4.322 1.00 0.00 C ATOM 349 OG SER A 26 -14.054 -1.735 -3.327 1.00 0.00 O ATOM 0 H SER A 26 -12.390 -3.390 -3.330 1.00 0.00 H new ATOM 0 HA SER A 26 -11.132 -1.269 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.334 -0.116 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.478 -1.598 -5.297 1.00 0.00 H new ATOM 0 HG SER A 26 -13.709 -1.502 -2.440 1.00 0.00 H new ATOM 355 N TRP A 27 -10.716 0.486 -3.135 1.00 0.00 N ATOM 356 CA TRP A 27 -10.210 1.374 -2.094 1.00 0.00 C ATOM 357 C TRP A 27 -10.340 2.834 -2.515 1.00 0.00 C ATOM 358 O TRP A 27 -10.665 3.133 -3.664 1.00 0.00 O ATOM 359 CB TRP A 27 -8.749 1.049 -1.783 1.00 0.00 C ATOM 360 CG TRP A 27 -8.473 -0.422 -1.700 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.643 -1.345 -2.691 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.980 -1.138 -0.562 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.285 -2.593 -2.239 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.875 -2.492 -0.936 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.616 -0.768 0.735 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.421 -3.474 -0.058 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -7.167 -1.743 1.605 1.00 0.00 C ATOM 368 CH2 TRP A 27 -7.072 -3.082 1.206 1.00 0.00 C ATOM 0 H TRP A 27 -10.625 0.852 -4.083 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.808 1.219 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.115 1.488 -2.553 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.473 1.517 -0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.006 -1.127 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.319 -3.454 -2.785 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.684 0.262 1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.347 -4.507 -0.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.884 -1.468 2.610 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.716 -3.820 1.910 1.00 0.00 H new ATOM 379 N HIS A 28 -10.084 3.741 -1.577 1.00 0.00 N ATOM 380 CA HIS A 28 -10.172 5.171 -1.851 1.00 0.00 C ATOM 381 C HIS A 28 -8.850 5.701 -2.396 1.00 0.00 C ATOM 382 O HIS A 28 -7.787 5.115 -2.194 1.00 0.00 O ATOM 383 CB HIS A 28 -10.557 5.932 -0.583 1.00 0.00 C ATOM 384 CG HIS A 28 -12.013 5.836 -0.244 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.477 5.290 0.934 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.110 6.222 -0.936 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.797 5.342 0.951 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.206 5.904 -0.172 1.00 0.00 N ATOM 0 H HIS A 28 -9.814 3.511 -0.621 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.944 5.325 -2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.972 5.548 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.289 6.982 -0.704 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.121 6.693 -1.908 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.433 4.986 1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.178 6.074 -0.430 1.00 0.00 H new ATOM 396 N PRO A 29 -8.915 6.838 -3.106 1.00 0.00 N ATOM 397 CA PRO A 29 -7.732 7.472 -3.695 1.00 0.00 C ATOM 398 C PRO A 29 -6.808 8.069 -2.639 1.00 0.00 C ATOM 399 O PRO A 29 -5.756 8.620 -2.963 1.00 0.00 O ATOM 400 CB PRO A 29 -8.323 8.576 -4.575 1.00 0.00 C ATOM 401 CG PRO A 29 -9.643 8.887 -3.958 1.00 0.00 C ATOM 402 CD PRO A 29 -10.149 7.591 -3.388 1.00 0.00 C ATOM 0 HA PRO A 29 -7.115 6.758 -4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.678 9.455 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.437 8.242 -5.606 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.541 9.643 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.336 9.284 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.737 7.752 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.789 7.064 -4.095 1.00 0.00 H new ATOM 410 N GLU A 30 -7.209 7.956 -1.377 1.00 0.00 N ATOM 411 CA GLU A 30 -6.415 8.486 -0.274 1.00 0.00 C ATOM 412 C GLU A 30 -6.101 7.394 0.744 1.00 0.00 C ATOM 413 O GLU A 30 -5.056 7.418 1.395 1.00 0.00 O ATOM 414 CB GLU A 30 -7.156 9.637 0.409 1.00 0.00 C ATOM 415 CG GLU A 30 -8.394 9.197 1.172 1.00 0.00 C ATOM 416 CD GLU A 30 -9.142 10.361 1.793 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.498 11.391 2.084 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.369 10.242 1.989 1.00 0.00 O ATOM 0 H GLU A 30 -8.078 7.503 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.476 8.859 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.475 10.139 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.445 10.370 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.061 8.661 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.103 8.497 1.956 1.00 0.00 H new ATOM 425 N CYS A 31 -7.013 6.437 0.877 1.00 0.00 N ATOM 426 CA CYS A 31 -6.835 5.335 1.815 1.00 0.00 C ATOM 427 C CYS A 31 -5.654 4.459 1.409 1.00 0.00 C ATOM 428 O CYS A 31 -4.685 4.320 2.156 1.00 0.00 O ATOM 429 CB CYS A 31 -8.109 4.491 1.890 1.00 0.00 C ATOM 430 SG CYS A 31 -9.410 5.199 2.950 1.00 0.00 S ATOM 0 H CYS A 31 -7.884 6.402 0.347 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.629 5.758 2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.506 4.362 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.853 3.499 2.261 1.00 0.00 H new ATOM 435 N PHE A 32 -5.741 3.872 0.220 1.00 0.00 N ATOM 436 CA PHE A 32 -4.680 3.009 -0.286 1.00 0.00 C ATOM 437 C PHE A 32 -3.325 3.705 -0.200 1.00 0.00 C ATOM 438 O PHE A 32 -2.963 4.492 -1.074 1.00 0.00 O ATOM 439 CB PHE A 32 -4.968 2.606 -1.733 1.00 0.00 C ATOM 440 CG PHE A 32 -4.152 1.437 -2.204 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.211 0.222 -1.541 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.325 1.553 -3.311 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.460 -0.856 -1.972 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.572 0.479 -3.746 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.640 -0.727 -3.077 1.00 0.00 C ATOM 0 H PHE A 32 -6.535 3.978 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.648 2.113 0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.026 2.363 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.776 3.459 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.851 0.116 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.269 2.493 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.514 -1.798 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.931 0.583 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.054 -1.568 -3.417 1.00 0.00 H new ATOM 455 N ARG A 33 -2.581 3.410 0.861 1.00 0.00 N ATOM 456 CA ARG A 33 -1.267 4.008 1.064 1.00 0.00 C ATOM 457 C ARG A 33 -0.205 2.931 1.263 1.00 0.00 C ATOM 458 O ARG A 33 -0.523 1.766 1.504 1.00 0.00 O ATOM 459 CB ARG A 33 -1.291 4.947 2.271 1.00 0.00 C ATOM 460 CG ARG A 33 -2.108 6.208 2.046 1.00 0.00 C ATOM 461 CD ARG A 33 -1.790 7.271 3.086 1.00 0.00 C ATOM 462 NE ARG A 33 -1.955 8.622 2.557 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.084 9.316 2.652 1.00 0.00 C ATOM 464 NH1 ARG A 33 -4.141 8.789 3.254 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.156 10.540 2.146 1.00 0.00 N ATOM 0 H ARG A 33 -2.866 2.760 1.594 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.015 4.582 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.695 4.411 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.268 5.227 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.906 6.601 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.170 5.966 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.441 7.138 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.766 7.141 3.435 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.160 9.057 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.089 7.849 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.007 9.324 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.344 10.949 1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.023 11.072 2.219 1.00 0.00 H new ATOM 479 N CYS A 34 1.059 3.329 1.162 1.00 0.00 N ATOM 480 CA CYS A 34 2.170 2.399 1.330 1.00 0.00 C ATOM 481 C CYS A 34 2.152 1.778 2.724 1.00 0.00 C ATOM 482 O CYS A 34 1.553 2.323 3.651 1.00 0.00 O ATOM 483 CB CYS A 34 3.501 3.115 1.096 1.00 0.00 C ATOM 484 SG CYS A 34 4.932 1.996 0.958 1.00 0.00 S ATOM 0 H CYS A 34 1.340 4.290 0.965 1.00 0.00 H new ATOM 0 HA CYS A 34 2.060 1.602 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.427 3.708 0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.676 3.812 1.916 1.00 0.00 H new ATOM 489 N ASP A 35 2.813 0.634 2.863 1.00 0.00 N ATOM 490 CA ASP A 35 2.875 -0.062 4.144 1.00 0.00 C ATOM 491 C ASP A 35 4.217 0.178 4.828 1.00 0.00 C ATOM 492 O ASP A 35 4.567 -0.508 5.789 1.00 0.00 O ATOM 493 CB ASP A 35 2.651 -1.562 3.944 1.00 0.00 C ATOM 494 CG ASP A 35 1.996 -2.214 5.146 1.00 0.00 C ATOM 495 OD1 ASP A 35 0.871 -1.807 5.503 1.00 0.00 O ATOM 496 OD2 ASP A 35 2.609 -3.133 5.729 1.00 0.00 O ATOM 0 H ASP A 35 3.313 0.169 2.105 1.00 0.00 H new ATOM 0 HA ASP A 35 2.086 0.333 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.027 -1.719 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.607 -2.046 3.748 1.00 0.00 H new ATOM 501 N LEU A 36 4.964 1.155 4.326 1.00 0.00 N ATOM 502 CA LEU A 36 6.269 1.485 4.889 1.00 0.00 C ATOM 503 C LEU A 36 6.395 2.987 5.126 1.00 0.00 C ATOM 504 O LEU A 36 7.006 3.423 6.102 1.00 0.00 O ATOM 505 CB LEU A 36 7.384 1.009 3.956 1.00 0.00 C ATOM 506 CG LEU A 36 7.553 -0.505 3.829 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.194 -0.862 2.497 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.381 -1.048 4.984 1.00 0.00 C ATOM 0 H LEU A 36 4.689 1.732 3.531 1.00 0.00 H new ATOM 0 HA LEU A 36 6.364 0.975 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.199 1.418 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.327 1.432 4.304 1.00 0.00 H new ATOM 0 HG LEU A 36 6.566 -0.965 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.306 -1.944 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.562 -0.508 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.174 -0.390 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.491 -2.127 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.366 -0.580 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.880 -0.826 5.926 1.00 0.00 H new ATOM 520 N CYS A 37 5.812 3.773 4.228 1.00 0.00 N ATOM 521 CA CYS A 37 5.857 5.226 4.339 1.00 0.00 C ATOM 522 C CYS A 37 4.450 5.815 4.343 1.00 0.00 C ATOM 523 O CYS A 37 4.261 6.995 4.639 1.00 0.00 O ATOM 524 CB CYS A 37 6.668 5.822 3.187 1.00 0.00 C ATOM 525 SG CYS A 37 5.933 5.551 1.542 1.00 0.00 S ATOM 0 H CYS A 37 5.302 3.428 3.415 1.00 0.00 H new ATOM 0 HA CYS A 37 6.340 5.478 5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.779 6.894 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.669 5.392 3.201 1.00 0.00 H new ATOM 530 N GLN A 38 3.466 4.985 4.013 1.00 0.00 N ATOM 531 CA GLN A 38 2.076 5.424 3.979 1.00 0.00 C ATOM 532 C GLN A 38 1.866 6.483 2.902 1.00 0.00 C ATOM 533 O GLN A 38 1.370 7.574 3.180 1.00 0.00 O ATOM 534 CB GLN A 38 1.659 5.977 5.343 1.00 0.00 C ATOM 535 CG GLN A 38 1.897 5.009 6.490 1.00 0.00 C ATOM 536 CD GLN A 38 0.694 4.130 6.771 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.244 4.542 7.454 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.715 2.911 6.244 1.00 0.00 N ATOM 0 H GLN A 38 3.605 4.005 3.765 1.00 0.00 H new ATOM 0 HA GLN A 38 1.455 4.561 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.209 6.898 5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.601 6.238 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.756 4.379 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.149 5.572 7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.513 2.611 5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.067 2.275 6.399 1.00 0.00 H new ATOM 547 N GLU A 39 2.248 6.153 1.672 1.00 0.00 N ATOM 548 CA GLU A 39 2.102 7.078 0.554 1.00 0.00 C ATOM 549 C GLU A 39 0.996 6.618 -0.392 1.00 0.00 C ATOM 550 O GLU A 39 0.936 5.449 -0.774 1.00 0.00 O ATOM 551 CB GLU A 39 3.422 7.201 -0.210 1.00 0.00 C ATOM 552 CG GLU A 39 3.289 7.915 -1.545 1.00 0.00 C ATOM 553 CD GLU A 39 4.587 8.555 -1.997 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.057 9.490 -1.315 1.00 0.00 O ATOM 555 OE2 GLU A 39 5.133 8.120 -3.032 1.00 0.00 O ATOM 0 H GLU A 39 2.660 5.253 1.425 1.00 0.00 H new ATOM 0 HA GLU A 39 1.830 8.054 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.142 7.737 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.828 6.204 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.956 7.204 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.518 8.682 -1.467 1.00 0.00 H new ATOM 562 N VAL A 40 0.121 7.546 -0.765 1.00 0.00 N ATOM 563 CA VAL A 40 -0.983 7.238 -1.666 1.00 0.00 C ATOM 564 C VAL A 40 -0.500 6.445 -2.876 1.00 0.00 C ATOM 565 O VAL A 40 0.279 6.944 -3.688 1.00 0.00 O ATOM 566 CB VAL A 40 -1.685 8.519 -2.153 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.829 8.177 -3.095 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.184 9.335 -0.970 1.00 0.00 C ATOM 0 H VAL A 40 0.155 8.518 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.694 6.636 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.962 9.122 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.313 9.095 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.440 7.637 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.555 7.553 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.677 10.237 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.892 8.742 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.341 9.612 -0.338 1.00 0.00 H new ATOM 578 N LEU A 41 -0.969 5.207 -2.990 1.00 0.00 N ATOM 579 CA LEU A 41 -0.586 4.344 -4.102 1.00 0.00 C ATOM 580 C LEU A 41 -1.713 4.240 -5.124 1.00 0.00 C ATOM 581 O LEU A 41 -1.902 3.197 -5.750 1.00 0.00 O ATOM 582 CB LEU A 41 -0.217 2.951 -3.588 1.00 0.00 C ATOM 583 CG LEU A 41 0.487 2.900 -2.231 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.351 1.518 -1.611 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.953 3.280 -2.377 1.00 0.00 C ATOM 0 H LEU A 41 -1.615 4.779 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 41 0.282 4.786 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.128 2.356 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.426 2.472 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 41 0.010 3.621 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.858 1.501 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.704 1.284 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.802 0.777 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.438 3.238 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.444 2.583 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.029 4.291 -2.777 1.00 0.00 H new ATOM 597 N ALA A 42 -2.457 5.328 -5.289 1.00 0.00 N ATOM 598 CA ALA A 42 -3.563 5.360 -6.238 1.00 0.00 C ATOM 599 C ALA A 42 -3.060 5.593 -7.659 1.00 0.00 C ATOM 600 O ALA A 42 -3.363 4.821 -8.569 1.00 0.00 O ATOM 601 CB ALA A 42 -4.563 6.439 -5.847 1.00 0.00 C ATOM 0 H ALA A 42 -2.314 6.199 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.061 4.391 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.384 6.452 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.954 6.229 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.068 7.410 -5.845 1.00 0.00 H new ATOM 607 N ASP A 43 -2.291 6.661 -7.842 1.00 0.00 N ATOM 608 CA ASP A 43 -1.746 6.995 -9.153 1.00 0.00 C ATOM 609 C ASP A 43 -0.411 6.292 -9.381 1.00 0.00 C ATOM 610 O ASP A 43 -0.236 5.575 -10.366 1.00 0.00 O ATOM 611 CB ASP A 43 -1.569 8.508 -9.285 1.00 0.00 C ATOM 612 CG ASP A 43 -1.716 8.986 -10.716 1.00 0.00 C ATOM 613 OD1 ASP A 43 -2.520 8.388 -11.462 1.00 0.00 O ATOM 614 OD2 ASP A 43 -1.028 9.958 -11.090 1.00 0.00 O ATOM 0 H ASP A 43 -2.031 7.310 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.451 6.652 -9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.305 9.013 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.585 8.790 -8.910 1.00 0.00 H new ATOM 619 N ILE A 44 0.528 6.505 -8.465 1.00 0.00 N ATOM 620 CA ILE A 44 1.847 5.892 -8.566 1.00 0.00 C ATOM 621 C ILE A 44 1.750 4.371 -8.532 1.00 0.00 C ATOM 622 O ILE A 44 2.685 3.670 -8.918 1.00 0.00 O ATOM 623 CB ILE A 44 2.775 6.362 -7.431 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.246 5.880 -6.078 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.904 7.878 -7.445 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.328 5.704 -5.035 1.00 0.00 C ATOM 0 H ILE A 44 0.400 7.097 -7.645 1.00 0.00 H new ATOM 0 HA ILE A 44 2.268 6.205 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 44 3.764 5.931 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.510 6.594 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.728 4.931 -6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.563 8.195 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.321 8.199 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.921 8.328 -7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.881 5.361 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.052 4.968 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.831 6.657 -4.868 1.00 0.00 H new ATOM 638 N GLY A 45 0.611 3.866 -8.068 1.00 0.00 N ATOM 639 CA GLY A 45 0.412 2.430 -7.994 1.00 0.00 C ATOM 640 C GLY A 45 1.140 1.804 -6.821 1.00 0.00 C ATOM 641 O GLY A 45 1.849 2.489 -6.084 1.00 0.00 O ATOM 0 H GLY A 45 -0.177 4.425 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.654 2.218 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.758 1.970 -8.920 1.00 0.00 H new ATOM 645 N PHE A 46 0.963 0.499 -6.646 1.00 0.00 N ATOM 646 CA PHE A 46 1.607 -0.220 -5.552 1.00 0.00 C ATOM 647 C PHE A 46 2.429 -1.392 -6.081 1.00 0.00 C ATOM 648 O PHE A 46 2.358 -1.732 -7.262 1.00 0.00 O ATOM 649 CB PHE A 46 0.559 -0.725 -4.559 1.00 0.00 C ATOM 650 CG PHE A 46 -0.367 -1.756 -5.137 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.360 -1.391 -6.032 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.245 -3.091 -4.784 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.213 -2.338 -6.566 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.096 -4.042 -5.315 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.082 -3.665 -6.206 1.00 0.00 C ATOM 0 H PHE A 46 0.379 -0.083 -7.247 1.00 0.00 H new ATOM 0 HA PHE A 46 2.278 0.471 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.066 -1.149 -3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.029 0.121 -4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.468 -0.355 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.523 -3.391 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.981 -2.041 -7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.990 -5.079 -5.033 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.749 -4.406 -6.620 1.00 0.00 H new ATOM 665 N VAL A 47 3.211 -2.005 -5.197 1.00 0.00 N ATOM 666 CA VAL A 47 4.046 -3.139 -5.573 1.00 0.00 C ATOM 667 C VAL A 47 3.920 -4.274 -4.563 1.00 0.00 C ATOM 668 O VAL A 47 4.550 -4.252 -3.506 1.00 0.00 O ATOM 669 CB VAL A 47 5.527 -2.731 -5.688 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.363 -3.893 -6.204 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.676 -1.515 -6.590 1.00 0.00 C ATOM 0 H VAL A 47 3.283 -1.735 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 47 3.694 -3.482 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 47 5.891 -2.466 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.406 -3.586 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.281 -4.734 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.002 -4.192 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.729 -1.241 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.296 -1.750 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.111 -0.681 -6.173 1.00 0.00 H new ATOM 681 N LYS A 48 3.101 -5.266 -4.896 1.00 0.00 N ATOM 682 CA LYS A 48 2.892 -6.412 -4.019 1.00 0.00 C ATOM 683 C LYS A 48 4.213 -6.893 -3.428 1.00 0.00 C ATOM 684 O LYS A 48 5.215 -7.006 -4.133 1.00 0.00 O ATOM 685 CB LYS A 48 2.220 -7.552 -4.788 1.00 0.00 C ATOM 686 CG LYS A 48 0.704 -7.537 -4.696 1.00 0.00 C ATOM 687 CD LYS A 48 0.219 -8.146 -3.392 1.00 0.00 C ATOM 688 CE LYS A 48 0.353 -9.661 -3.399 1.00 0.00 C ATOM 689 NZ LYS A 48 -0.743 -10.311 -4.170 1.00 0.00 N ATOM 0 H LYS A 48 2.571 -5.299 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 48 2.242 -6.099 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.513 -7.494 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.589 -8.504 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.344 -6.511 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.282 -8.089 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.792 -7.733 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.823 -7.873 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.315 -9.939 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.345 -10.031 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.616 -11.343 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.660 -10.067 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.720 -9.977 -5.155 1.00 0.00 H new ATOM 703 N ASN A 49 4.206 -7.175 -2.129 1.00 0.00 N ATOM 704 CA ASN A 49 5.404 -7.645 -1.443 1.00 0.00 C ATOM 705 C ASN A 49 5.063 -8.178 -0.055 1.00 0.00 C ATOM 706 O ASN A 49 4.448 -7.483 0.754 1.00 0.00 O ATOM 707 CB ASN A 49 6.429 -6.515 -1.330 1.00 0.00 C ATOM 708 CG ASN A 49 7.727 -6.972 -0.693 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.872 -8.136 -0.320 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.679 -6.055 -0.565 1.00 0.00 N ATOM 0 H ASN A 49 3.385 -7.086 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 49 5.832 -8.458 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.636 -6.115 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.005 -5.702 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.574 -6.304 -0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.515 -5.102 -0.888 1.00 0.00 H new ATOM 717 N ALA A 50 5.467 -9.415 0.215 1.00 0.00 N ATOM 718 CA ALA A 50 5.206 -10.040 1.505 1.00 0.00 C ATOM 719 C ALA A 50 3.771 -9.791 1.956 1.00 0.00 C ATOM 720 O ALA A 50 3.513 -9.547 3.134 1.00 0.00 O ATOM 721 CB ALA A 50 6.186 -9.523 2.549 1.00 0.00 C ATOM 0 H ALA A 50 5.977 -10.004 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 50 5.343 -11.116 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.980 -9.998 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.205 -9.757 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.076 -8.443 2.648 1.00 0.00 H new ATOM 727 N GLY A 51 2.839 -9.855 1.009 1.00 0.00 N ATOM 728 CA GLY A 51 1.441 -9.634 1.329 1.00 0.00 C ATOM 729 C GLY A 51 1.166 -8.212 1.777 1.00 0.00 C ATOM 730 O GLY A 51 0.266 -7.971 2.581 1.00 0.00 O ATOM 0 H GLY A 51 3.028 -10.056 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.831 -9.860 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.138 -10.325 2.116 1.00 0.00 H new ATOM 734 N ARG A 52 1.945 -7.269 1.257 1.00 0.00 N ATOM 735 CA ARG A 52 1.783 -5.864 1.611 1.00 0.00 C ATOM 736 C ARG A 52 1.946 -4.972 0.384 1.00 0.00 C ATOM 737 O ARG A 52 2.745 -5.263 -0.507 1.00 0.00 O ATOM 738 CB ARG A 52 2.799 -5.465 2.683 1.00 0.00 C ATOM 739 CG ARG A 52 2.723 -6.316 3.940 1.00 0.00 C ATOM 740 CD ARG A 52 3.976 -6.167 4.790 1.00 0.00 C ATOM 741 NE ARG A 52 4.085 -7.222 5.793 1.00 0.00 N ATOM 742 CZ ARG A 52 4.775 -7.095 6.921 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.413 -5.964 7.188 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.827 -8.100 7.786 1.00 0.00 N ATOM 0 H ARG A 52 2.694 -7.452 0.590 1.00 0.00 H new ATOM 0 HA ARG A 52 0.776 -5.729 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.803 -5.538 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.640 -4.421 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.849 -6.027 4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.591 -7.362 3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.855 -6.187 4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.965 -5.196 5.285 1.00 0.00 H new ATOM 0 HE ARG A 52 3.605 -8.105 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.375 -5.189 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.942 -5.869 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.337 -8.972 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.357 -8.001 8.652 1.00 0.00 H new ATOM 758 N HIS A 53 1.183 -3.884 0.343 1.00 0.00 N ATOM 759 CA HIS A 53 1.243 -2.949 -0.775 1.00 0.00 C ATOM 760 C HIS A 53 2.224 -1.818 -0.485 1.00 0.00 C ATOM 761 O HIS A 53 1.974 -0.970 0.374 1.00 0.00 O ATOM 762 CB HIS A 53 -0.145 -2.376 -1.062 1.00 0.00 C ATOM 763 CG HIS A 53 -0.996 -2.224 0.161 1.00 0.00 C ATOM 764 ND1 HIS A 53 -2.276 -2.726 0.255 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.741 -1.623 1.347 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.774 -2.438 1.444 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.862 -1.770 2.127 1.00 0.00 N ATOM 0 H HIS A 53 0.516 -3.628 1.071 1.00 0.00 H new ATOM 0 HA HIS A 53 1.592 -3.492 -1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.035 -1.403 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.657 -3.025 -1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.173 -1.121 1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.759 -2.704 1.798 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.972 -1.420 3.079 1.00 0.00 H new ATOM 776 N LEU A 54 3.340 -1.810 -1.204 1.00 0.00 N ATOM 777 CA LEU A 54 4.360 -0.783 -1.024 1.00 0.00 C ATOM 778 C LEU A 54 4.478 0.092 -2.268 1.00 0.00 C ATOM 779 O LEU A 54 3.880 -0.199 -3.304 1.00 0.00 O ATOM 780 CB LEU A 54 5.711 -1.427 -0.710 1.00 0.00 C ATOM 781 CG LEU A 54 5.663 -2.746 0.061 1.00 0.00 C ATOM 782 CD1 LEU A 54 7.017 -3.437 0.023 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.224 -2.508 1.499 1.00 0.00 C ATOM 0 H LEU A 54 3.562 -2.504 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 54 4.061 -0.153 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.237 -1.597 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.305 -0.716 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 54 4.932 -3.398 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.963 -4.374 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.292 -3.643 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.768 -2.790 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.196 -3.458 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.930 -1.838 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.231 -2.058 1.507 1.00 0.00 H new ATOM 795 N CYS A 55 5.254 1.165 -2.159 1.00 0.00 N ATOM 796 CA CYS A 55 5.452 2.083 -3.275 1.00 0.00 C ATOM 797 C CYS A 55 6.812 1.856 -3.930 1.00 0.00 C ATOM 798 O CYS A 55 7.770 1.451 -3.271 1.00 0.00 O ATOM 799 CB CYS A 55 5.339 3.532 -2.797 1.00 0.00 C ATOM 800 SG CYS A 55 6.694 4.061 -1.699 1.00 0.00 S ATOM 0 H CYS A 55 5.756 1.421 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 55 4.675 1.890 -4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.313 4.189 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.391 3.658 -2.273 1.00 0.00 H new ATOM 805 N ARG A 56 6.887 2.120 -5.230 1.00 0.00 N ATOM 806 CA ARG A 56 8.128 1.945 -5.975 1.00 0.00 C ATOM 807 C ARG A 56 9.335 2.307 -5.114 1.00 0.00 C ATOM 808 O ARG A 56 10.278 1.530 -4.967 1.00 0.00 O ATOM 809 CB ARG A 56 8.114 2.804 -7.240 1.00 0.00 C ATOM 810 CG ARG A 56 7.745 2.032 -8.497 1.00 0.00 C ATOM 811 CD ARG A 56 6.262 1.698 -8.530 1.00 0.00 C ATOM 812 NE ARG A 56 5.445 2.867 -8.844 1.00 0.00 N ATOM 813 CZ ARG A 56 5.418 3.446 -10.040 1.00 0.00 C ATOM 814 NH1 ARG A 56 6.158 2.965 -11.029 1.00 0.00 N ATOM 815 NH2 ARG A 56 4.648 4.506 -10.248 1.00 0.00 N ATOM 0 H ARG A 56 6.103 2.456 -5.789 1.00 0.00 H new ATOM 0 HA ARG A 56 8.207 0.895 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.406 3.622 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.098 3.253 -7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.006 2.620 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.328 1.112 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.082 0.920 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.960 1.293 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 56 4.863 3.261 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.750 2.149 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.136 3.411 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.076 4.877 -9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.628 4.950 -11.166 1.00 0.00 H new ATOM 829 N PRO A 57 9.305 3.515 -4.532 1.00 0.00 N ATOM 830 CA PRO A 57 10.389 4.008 -3.676 1.00 0.00 C ATOM 831 C PRO A 57 10.816 2.981 -2.633 1.00 0.00 C ATOM 832 O PRO A 57 11.962 2.529 -2.626 1.00 0.00 O ATOM 833 CB PRO A 57 9.775 5.235 -2.998 1.00 0.00 C ATOM 834 CG PRO A 57 8.721 5.702 -3.942 1.00 0.00 C ATOM 835 CD PRO A 57 8.212 4.492 -4.664 1.00 0.00 C ATOM 0 HA PRO A 57 11.292 4.226 -4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.352 4.980 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.524 6.008 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.913 6.198 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.128 6.428 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.288 4.121 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.997 4.712 -5.710 1.00 0.00 H new ATOM 843 N CYS A 58 9.889 2.616 -1.754 1.00 0.00 N ATOM 844 CA CYS A 58 10.169 1.642 -0.706 1.00 0.00 C ATOM 845 C CYS A 58 10.548 0.291 -1.306 1.00 0.00 C ATOM 846 O CYS A 58 11.685 -0.163 -1.175 1.00 0.00 O ATOM 847 CB CYS A 58 8.954 1.483 0.210 1.00 0.00 C ATOM 848 SG CYS A 58 8.493 3.003 1.102 1.00 0.00 S ATOM 0 H CYS A 58 8.936 2.981 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 58 11.012 2.009 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.104 1.152 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.160 0.696 0.936 1.00 0.00 H new ATOM 853 N HIS A 59 9.586 -0.348 -1.966 1.00 0.00 N ATOM 854 CA HIS A 59 9.818 -1.647 -2.587 1.00 0.00 C ATOM 855 C HIS A 59 11.200 -1.701 -3.233 1.00 0.00 C ATOM 856 O HIS A 59 11.945 -2.662 -3.046 1.00 0.00 O ATOM 857 CB HIS A 59 8.742 -1.935 -3.634 1.00 0.00 C ATOM 858 CG HIS A 59 8.959 -3.214 -4.381 1.00 0.00 C ATOM 859 ND1 HIS A 59 9.397 -3.440 -5.642 1.00 0.00 N flip ATOM 860 CD2 HIS A 59 8.718 -4.456 -3.832 1.00 0.00 C flip ATOM 861 CE1 HIS A 59 9.413 -4.800 -5.830 1.00 0.00 C flip ATOM 862 NE2 HIS A 59 9.000 -5.391 -4.723 1.00 0.00 N flip ATOM 0 H HIS A 59 8.639 0.013 -2.084 1.00 0.00 H new ATOM 0 HA HIS A 59 9.770 -2.408 -1.808 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.770 -1.971 -3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.709 -1.110 -4.345 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.356 -4.637 -2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.714 -5.305 -6.736 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.913 -6.397 -4.580 1.00 0.00 H new ATOM 871 N ASN A 60 11.533 -0.664 -3.994 1.00 0.00 N ATOM 872 CA ASN A 60 12.824 -0.595 -4.668 1.00 0.00 C ATOM 873 C ASN A 60 13.967 -0.605 -3.658 1.00 0.00 C ATOM 874 O ASN A 60 15.019 -1.197 -3.901 1.00 0.00 O ATOM 875 CB ASN A 60 12.905 0.665 -5.533 1.00 0.00 C ATOM 876 CG ASN A 60 12.160 0.515 -6.845 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.327 -0.476 -7.556 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.333 1.501 -7.172 1.00 0.00 N ATOM 0 H ASN A 60 10.927 0.140 -4.159 1.00 0.00 H new ATOM 0 HA ASN A 60 12.919 -1.473 -5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.494 1.509 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.951 0.896 -5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.805 1.456 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.226 2.304 -6.552 1.00 0.00 H new ATOM 885 N ARG A 61 13.753 0.053 -2.523 1.00 0.00 N ATOM 886 CA ARG A 61 14.765 0.119 -1.476 1.00 0.00 C ATOM 887 C ARG A 61 15.030 -1.263 -0.887 1.00 0.00 C ATOM 888 O ARG A 61 16.181 -1.657 -0.699 1.00 0.00 O ATOM 889 CB ARG A 61 14.322 1.079 -0.370 1.00 0.00 C ATOM 890 CG ARG A 61 14.394 2.544 -0.770 1.00 0.00 C ATOM 891 CD ARG A 61 13.624 3.425 0.201 1.00 0.00 C ATOM 892 NE ARG A 61 13.870 4.845 -0.035 1.00 0.00 N ATOM 893 CZ ARG A 61 13.617 5.793 0.860 1.00 0.00 C ATOM 894 NH1 ARG A 61 13.112 5.475 2.044 1.00 0.00 N ATOM 895 NH2 ARG A 61 13.869 7.064 0.571 1.00 0.00 N ATOM 0 H ARG A 61 12.888 0.548 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 61 15.689 0.488 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.298 0.840 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.946 0.920 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.436 2.862 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.990 2.668 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.557 3.221 0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.908 3.173 1.223 1.00 0.00 H new ATOM 0 HE ARG A 61 14.257 5.124 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.917 4.500 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.919 6.206 2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.257 7.313 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.674 7.792 1.259 1.00 0.00 H new ATOM 909 N GLU A 62 13.958 -1.994 -0.599 1.00 0.00 N ATOM 910 CA GLU A 62 14.076 -3.332 -0.031 1.00 0.00 C ATOM 911 C GLU A 62 14.626 -4.314 -1.062 1.00 0.00 C ATOM 912 O GLU A 62 15.689 -4.904 -0.870 1.00 0.00 O ATOM 913 CB GLU A 62 12.717 -3.816 0.477 1.00 0.00 C ATOM 914 CG GLU A 62 11.959 -2.771 1.278 1.00 0.00 C ATOM 915 CD GLU A 62 12.276 -2.827 2.759 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.164 -3.922 3.350 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.637 -1.776 3.328 1.00 0.00 O ATOM 0 H GLU A 62 12.998 -1.683 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 62 14.772 -3.284 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.108 -4.121 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.864 -4.700 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.202 -1.779 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.888 -2.915 1.134 1.00 0.00 H new ATOM 924 N LYS A 63 13.892 -4.486 -2.156 1.00 0.00 N ATOM 925 CA LYS A 63 14.304 -5.395 -3.219 1.00 0.00 C ATOM 926 C LYS A 63 15.746 -5.126 -3.637 1.00 0.00 C ATOM 927 O LYS A 63 16.497 -6.052 -3.940 1.00 0.00 O ATOM 928 CB LYS A 63 13.376 -5.253 -4.428 1.00 0.00 C ATOM 929 CG LYS A 63 13.714 -4.070 -5.319 1.00 0.00 C ATOM 930 CD LYS A 63 12.678 -3.884 -6.414 1.00 0.00 C ATOM 931 CE LYS A 63 12.912 -4.843 -7.572 1.00 0.00 C ATOM 932 NZ LYS A 63 13.882 -4.293 -8.559 1.00 0.00 N ATOM 0 H LYS A 63 13.008 -4.007 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 63 14.239 -6.414 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.421 -6.167 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.349 -5.151 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.774 -3.164 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.696 -4.220 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.681 -4.044 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.712 -2.857 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.284 -5.793 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.965 -5.049 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.015 -4.975 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.516 -3.399 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.794 -4.120 -8.090 1.00 0.00 H new ATOM 946 N ALA A 64 16.125 -3.852 -3.651 1.00 0.00 N ATOM 947 CA ALA A 64 17.478 -3.462 -4.028 1.00 0.00 C ATOM 948 C ALA A 64 18.494 -4.512 -3.593 1.00 0.00 C ATOM 949 O ALA A 64 18.622 -4.811 -2.405 1.00 0.00 O ATOM 950 CB ALA A 64 17.824 -2.108 -3.426 1.00 0.00 C ATOM 0 H ALA A 64 15.514 -3.073 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 64 17.518 -3.385 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.837 -1.829 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.123 -1.358 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.760 -2.166 -2.339 1.00 0.00 H new ATOM 956 N SER A 65 19.214 -5.070 -4.561 1.00 0.00 N ATOM 957 CA SER A 65 20.216 -6.091 -4.278 1.00 0.00 C ATOM 958 C SER A 65 19.562 -7.357 -3.731 1.00 0.00 C ATOM 959 O SER A 65 20.070 -7.978 -2.799 1.00 0.00 O ATOM 960 CB SER A 65 21.245 -5.562 -3.277 1.00 0.00 C ATOM 961 OG SER A 65 22.270 -6.513 -3.048 1.00 0.00 O ATOM 0 H SER A 65 19.122 -4.832 -5.549 1.00 0.00 H new ATOM 0 HA SER A 65 20.721 -6.338 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 65 21.681 -4.637 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.751 -5.322 -2.336 1.00 0.00 H new ATOM 0 HG SER A 65 21.869 -7.387 -2.857 1.00 0.00 H new ATOM 967 N GLY A 66 18.431 -7.732 -4.320 1.00 0.00 N ATOM 968 CA GLY A 66 17.725 -8.922 -3.880 1.00 0.00 C ATOM 969 C GLY A 66 18.078 -10.144 -4.705 1.00 0.00 C ATOM 970 O GLY A 66 18.743 -10.052 -5.737 1.00 0.00 O ATOM 0 H GLY A 66 17.991 -7.234 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.960 -9.114 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.651 -8.746 -3.938 1.00 0.00 H new ATOM 974 N PRO A 67 17.627 -11.321 -4.247 1.00 0.00 N ATOM 975 CA PRO A 67 17.888 -12.590 -4.934 1.00 0.00 C ATOM 976 C PRO A 67 17.130 -12.701 -6.253 1.00 0.00 C ATOM 977 O PRO A 67 16.440 -11.768 -6.664 1.00 0.00 O ATOM 978 CB PRO A 67 17.388 -13.641 -3.940 1.00 0.00 C ATOM 979 CG PRO A 67 16.365 -12.932 -3.122 1.00 0.00 C ATOM 980 CD PRO A 67 16.828 -11.505 -3.024 1.00 0.00 C ATOM 0 HA PRO A 67 18.939 -12.701 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.957 -14.500 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.201 -14.017 -3.319 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.382 -12.992 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.276 -13.382 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.988 -10.812 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.423 -11.336 -2.126 1.00 0.00 H new ATOM 988 N SER A 68 17.263 -13.848 -6.912 1.00 0.00 N ATOM 989 CA SER A 68 16.594 -14.080 -8.186 1.00 0.00 C ATOM 990 C SER A 68 15.145 -13.605 -8.133 1.00 0.00 C ATOM 991 O SER A 68 14.412 -13.917 -7.194 1.00 0.00 O ATOM 992 CB SER A 68 16.642 -15.565 -8.549 1.00 0.00 C ATOM 993 OG SER A 68 16.093 -16.361 -7.514 1.00 0.00 O ATOM 0 H SER A 68 17.828 -14.631 -6.584 1.00 0.00 H new ATOM 0 HA SER A 68 17.118 -13.509 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.090 -15.734 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.674 -15.864 -8.734 1.00 0.00 H new ATOM 0 HG SER A 68 16.134 -17.306 -7.771 1.00 0.00 H new ATOM 999 N SER A 69 14.739 -12.848 -9.147 1.00 0.00 N ATOM 1000 CA SER A 69 13.379 -12.325 -9.215 1.00 0.00 C ATOM 1001 C SER A 69 12.900 -12.245 -10.661 1.00 0.00 C ATOM 1002 O SER A 69 13.664 -12.488 -11.595 1.00 0.00 O ATOM 1003 CB SER A 69 13.309 -10.942 -8.565 1.00 0.00 C ATOM 1004 OG SER A 69 13.817 -9.944 -9.433 1.00 0.00 O ATOM 0 H SER A 69 15.332 -12.583 -9.933 1.00 0.00 H new ATOM 0 HA SER A 69 12.726 -13.007 -8.671 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.276 -10.711 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.879 -10.944 -7.636 1.00 0.00 H new ATOM 0 HG SER A 69 13.760 -9.069 -8.995 1.00 0.00 H new ATOM 1010 N GLY A 70 11.627 -11.903 -10.838 1.00 0.00 N ATOM 1011 CA GLY A 70 11.066 -11.797 -12.172 1.00 0.00 C ATOM 1012 C GLY A 70 12.038 -11.187 -13.163 1.00 0.00 C ATOM 1013 O GLY A 70 11.802 -11.278 -14.367 1.00 0.00 O ATOM 0 H GLY A 70 10.975 -11.698 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.772 -12.788 -12.519 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.161 -11.191 -12.135 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.420 4.338 2.420 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.624 3.565 0.488 1.00 0.00 ZN