USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 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 Set 1.1: A 38 LYS NZ :NH3+ -164:sc= -0.113 (180deg=0) USER MOD Set 1.2: A 46 MET CE :methyl -147:sc= -1.43 (180deg=-3.87!) USER MOD Set 2.1: A 45 GLN : amide:sc= -7.84! C(o=-8.8!,f=-12!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -159:sc= -0.937 (180deg=-1.1) USER MOD Set 3.1: A 36 CYS SG : rot -164:sc= 1.12 USER MOD Set 3.2: A 39 CYS SG : rot -58:sc= -4.45! USER MOD Set 3.3: A 44 HIS : no HE2:sc= -6.57! C(o=-10!,f=-11!) USER MOD Set 3.4: A 49 CYS SG : rot 180:sc= -0.517 USER MOD Set 4.1: A 15 CYS SG : rot 142:sc= -0.11 USER MOD Set 4.2: A 17 ASN : amide:sc= -2.49 X(o=-11,f=-11) USER MOD Set 4.3: A 18 CYS SG : rot -78:sc= -2.12 USER MOD Set 4.4: A 23 HIS : no HD1:sc= -3.55! C(o=-11!,f=-15!) USER MOD Set 4.5: A 28 CYS SG : rot 98:sc= -2.4! USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.043) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0227 F(o=-3.5,f=-0.023) USER MOD Single : A 9 GLN : amide:sc= 0.232 K(o=0.23,f=-1.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.26! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= -1.31! (180deg=-3.12!) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.74! F(o=-6.2,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= 0.498 (180deg=0.0604) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -44:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -31.724 10.007 8.803 1.00 0.00 N ATOM 19 CA GLN A 2 -31.595 9.497 7.448 1.00 0.00 C ATOM 20 C GLN A 2 -32.974 9.168 6.871 1.00 0.00 C ATOM 21 O GLN A 2 -33.927 8.951 7.618 1.00 0.00 O ATOM 22 CB GLN A 2 -30.677 8.274 7.407 1.00 0.00 C ATOM 23 CG GLN A 2 -29.226 8.686 7.155 1.00 0.00 C ATOM 24 CD GLN A 2 -28.267 7.536 7.471 1.00 0.00 C ATOM 25 OE1 GLN A 2 -27.697 7.447 8.545 1.00 0.00 O ATOM 26 NE2 GLN A 2 -28.123 6.664 6.477 1.00 0.00 N ATOM 0 HA GLN A 2 -31.140 10.272 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.746 7.731 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -31.007 7.593 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -29.106 8.989 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -28.978 9.551 7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -28.631 6.799 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.505 5.861 6.589 1.00 0.00 H new ATOM 35 N LYS A 3 -33.035 9.141 5.548 1.00 0.00 N ATOM 36 CA LYS A 3 -34.281 8.842 4.863 1.00 0.00 C ATOM 37 C LYS A 3 -34.753 7.442 5.259 1.00 0.00 C ATOM 38 O LYS A 3 -35.925 7.244 5.574 1.00 0.00 O ATOM 39 CB LYS A 3 -34.121 9.032 3.353 1.00 0.00 C ATOM 40 CG LYS A 3 -33.004 8.143 2.803 1.00 0.00 C ATOM 41 CD LYS A 3 -32.288 8.822 1.634 1.00 0.00 C ATOM 42 CE LYS A 3 -30.910 9.334 2.057 1.00 0.00 C ATOM 43 NZ LYS A 3 -29.881 8.928 1.075 1.00 0.00 N ATOM 0 H LYS A 3 -32.242 9.321 4.932 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.060 9.540 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -35.059 8.795 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.899 10.077 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -32.287 7.922 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.421 7.191 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.180 8.117 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.891 9.652 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.930 10.420 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.656 8.941 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -28.952 9.284 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.851 7.890 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.116 9.324 0.142 1.00 0.00 H new ATOM 57 N GLY A 4 -33.815 6.506 5.232 1.00 0.00 N ATOM 58 CA GLY A 4 -34.120 5.131 5.584 1.00 0.00 C ATOM 59 C GLY A 4 -34.594 5.028 7.036 1.00 0.00 C ATOM 60 O GLY A 4 -35.106 3.991 7.454 1.00 0.00 O ATOM 0 H GLY A 4 -32.843 6.674 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.891 4.744 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.235 4.511 5.442 1.00 0.00 H new ATOM 64 N ASN A 5 -34.406 6.120 7.764 1.00 0.00 N ATOM 65 CA ASN A 5 -34.808 6.166 9.160 1.00 0.00 C ATOM 66 C ASN A 5 -36.319 5.946 9.258 1.00 0.00 C ATOM 67 O ASN A 5 -36.840 5.666 10.337 1.00 0.00 O ATOM 68 CB ASN A 5 -34.487 7.528 9.780 1.00 0.00 C ATOM 69 CG ASN A 5 -34.562 7.465 11.307 1.00 0.00 C ATOM 70 OD1 ASN A 5 -33.588 7.199 11.992 1.00 0.00 O ATOM 71 ND2 ASN A 5 -35.769 7.724 11.800 1.00 0.00 N ATOM 0 H ASN A 5 -33.981 6.979 7.414 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.263 5.388 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.490 7.845 9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.188 8.275 9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -35.922 7.707 12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -36.542 7.940 11.170 1.00 0.00 H new ATOM 78 N PHE A 6 -36.981 6.081 8.119 1.00 0.00 N ATOM 79 CA PHE A 6 -38.421 5.900 8.063 1.00 0.00 C ATOM 80 C PHE A 6 -38.816 4.496 8.526 1.00 0.00 C ATOM 81 O PHE A 6 -39.986 4.235 8.799 1.00 0.00 O ATOM 82 CB PHE A 6 -38.839 6.078 6.602 1.00 0.00 C ATOM 83 CG PHE A 6 -40.246 5.566 6.290 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.285 5.894 7.103 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.458 4.783 5.198 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.591 5.417 6.814 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.763 4.307 4.908 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.803 4.634 5.723 1.00 0.00 C ATOM 0 H PHE A 6 -36.546 6.314 7.226 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.911 6.621 8.717 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.783 7.136 6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.124 5.557 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -41.117 6.517 7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.633 4.524 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.416 5.676 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.931 3.685 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.796 4.272 5.503 1.00 0.00 H new ATOM 98 N ARG A 7 -37.816 3.630 8.600 1.00 0.00 N ATOM 99 CA ARG A 7 -38.045 2.259 9.025 1.00 0.00 C ATOM 100 C ARG A 7 -38.668 2.233 10.421 1.00 0.00 C ATOM 101 O ARG A 7 -39.189 1.206 10.853 1.00 0.00 O ATOM 102 CB ARG A 7 -36.738 1.463 9.043 1.00 0.00 C ATOM 103 CG ARG A 7 -36.576 0.648 7.758 1.00 0.00 C ATOM 104 CD ARG A 7 -35.100 0.367 7.469 1.00 0.00 C ATOM 105 NE ARG A 7 -34.870 -1.093 7.376 1.00 0.00 N ATOM 106 CZ ARG A 7 -33.698 -1.648 7.042 1.00 0.00 C ATOM 107 NH1 ARG A 7 -32.641 -0.871 6.767 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.581 -2.982 6.983 1.00 0.00 N ATOM 0 H ARG A 7 -36.846 3.851 8.373 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.728 1.800 8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.894 2.144 9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.726 0.796 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.118 -0.293 7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.017 1.190 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.805 0.850 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -34.479 0.792 8.258 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.653 -1.714 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -32.729 0.144 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -31.749 -1.295 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -34.385 -3.574 7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.688 -3.405 6.729 1.00 0.00 H new ATOM 122 N ASN A 8 -38.593 3.375 11.089 1.00 0.00 N ATOM 123 CA ASN A 8 -39.143 3.496 12.428 1.00 0.00 C ATOM 124 C ASN A 8 -40.646 3.209 12.386 1.00 0.00 C ATOM 125 O ASN A 8 -41.274 3.016 13.426 1.00 0.00 O ATOM 126 CB ASN A 8 -38.947 4.911 12.979 1.00 0.00 C ATOM 127 CG ASN A 8 -39.636 5.946 12.088 1.00 0.00 C ATOM 128 OD1 ASN A 8 -40.948 6.041 12.286 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.018 6.613 11.276 1.00 0.00 N flip ATOM 0 H ASN A 8 -38.160 4.225 10.728 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.625 2.784 13.070 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.350 4.970 13.990 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.882 5.135 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.011 6.489 11.175 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.508 7.295 10.697 1.00 0.00 H new ATOM 136 N GLN A 9 -41.178 3.193 11.173 1.00 0.00 N ATOM 137 CA GLN A 9 -42.595 2.933 10.981 1.00 0.00 C ATOM 138 C GLN A 9 -42.990 1.619 11.656 1.00 0.00 C ATOM 139 O GLN A 9 -44.133 1.452 12.077 1.00 0.00 O ATOM 140 CB GLN A 9 -42.952 2.915 9.492 1.00 0.00 C ATOM 141 CG GLN A 9 -44.365 3.453 9.262 1.00 0.00 C ATOM 142 CD GLN A 9 -45.336 2.319 8.924 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.964 1.288 8.390 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.597 2.568 9.263 1.00 0.00 N ATOM 0 H GLN A 9 -40.654 3.356 10.313 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.159 3.741 11.447 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.234 3.517 8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.879 1.897 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.708 3.976 10.154 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.353 4.180 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.840 3.453 9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -47.321 1.874 9.078 1.00 0.00 H new ATOM 153 N ARG A 10 -42.022 0.718 11.737 1.00 0.00 N ATOM 154 CA ARG A 10 -42.254 -0.577 12.354 1.00 0.00 C ATOM 155 C ARG A 10 -42.809 -0.399 13.769 1.00 0.00 C ATOM 156 O ARG A 10 -43.394 -1.324 14.331 1.00 0.00 O ATOM 157 CB ARG A 10 -40.963 -1.396 12.420 1.00 0.00 C ATOM 158 CG ARG A 10 -40.991 -2.545 11.411 1.00 0.00 C ATOM 159 CD ARG A 10 -39.599 -3.154 11.234 1.00 0.00 C ATOM 160 NE ARG A 10 -39.707 -4.499 10.626 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.913 -5.624 11.324 1.00 0.00 C ATOM 162 NH1 ARG A 10 -40.034 -5.573 12.657 1.00 0.00 N ATOM 163 NH2 ARG A 10 -39.999 -6.800 10.687 1.00 0.00 N ATOM 0 H ARG A 10 -41.075 0.859 11.385 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.979 -1.111 11.740 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.108 -0.751 12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.832 -1.794 13.426 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.687 -3.313 11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.358 -2.182 10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.989 -2.509 10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.098 -3.222 12.199 1.00 0.00 H new ATOM 0 HE ARG A 10 -39.619 -4.574 9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.969 -4.678 13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -40.191 -6.430 13.188 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -39.908 -6.838 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.156 -7.657 11.217 1.00 0.00 H new ATOM 177 N LYS A 11 -42.608 0.796 14.303 1.00 0.00 N ATOM 178 CA LYS A 11 -43.081 1.107 15.642 1.00 0.00 C ATOM 179 C LYS A 11 -43.726 2.494 15.640 1.00 0.00 C ATOM 180 O LYS A 11 -43.484 3.296 16.541 1.00 0.00 O ATOM 181 CB LYS A 11 -41.948 0.956 16.659 1.00 0.00 C ATOM 182 CG LYS A 11 -42.467 0.371 17.974 1.00 0.00 C ATOM 183 CD LYS A 11 -41.626 0.852 19.158 1.00 0.00 C ATOM 184 CE LYS A 11 -40.331 0.046 19.275 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.748 0.195 20.628 1.00 0.00 N ATOM 0 H LYS A 11 -42.124 1.561 13.833 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.850 0.398 15.949 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.171 0.309 16.250 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.489 1.927 16.845 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -43.507 0.662 18.120 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.444 -0.718 17.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.391 1.909 19.036 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -42.201 0.758 20.079 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -40.531 -1.006 19.073 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -39.616 0.384 18.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -38.870 -0.358 20.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -39.539 1.198 20.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -40.425 -0.150 21.338 1.00 0.00 H new ATOM 199 N THR A 12 -44.534 2.735 14.619 1.00 0.00 N ATOM 200 CA THR A 12 -45.216 4.012 14.488 1.00 0.00 C ATOM 201 C THR A 12 -44.316 5.026 13.779 1.00 0.00 C ATOM 202 O THR A 12 -43.106 5.049 14.000 1.00 0.00 O ATOM 203 CB THR A 12 -45.654 4.458 15.884 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.040 3.249 16.531 1.00 0.00 O ATOM 205 CG2 THR A 12 -46.937 5.292 15.856 1.00 0.00 C ATOM 0 H THR A 12 -44.732 2.067 13.874 1.00 0.00 H new ATOM 0 HA THR A 12 -46.106 3.924 13.865 1.00 0.00 H new ATOM 0 HB THR A 12 -44.855 5.036 16.347 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.337 3.447 17.444 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.204 5.583 16.872 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.777 6.186 15.253 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.745 4.702 15.423 1.00 0.00 H new ATOM 213 N VAL A 13 -44.942 5.842 12.944 1.00 0.00 N ATOM 214 CA VAL A 13 -44.214 6.857 12.202 1.00 0.00 C ATOM 215 C VAL A 13 -44.878 8.217 12.420 1.00 0.00 C ATOM 216 O VAL A 13 -45.976 8.296 12.970 1.00 0.00 O ATOM 217 CB VAL A 13 -44.127 6.464 10.726 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.520 6.244 10.134 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.351 7.511 9.925 1.00 0.00 C ATOM 0 H VAL A 13 -45.946 5.821 12.765 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.189 6.934 12.565 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.583 5.522 10.662 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.429 5.966 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.025 5.446 10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -46.100 7.163 10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -43.304 7.208 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.855 8.474 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.340 7.598 10.323 1.00 0.00 H new ATOM 229 N LYS A 14 -44.184 9.257 11.979 1.00 0.00 N ATOM 230 CA LYS A 14 -44.693 10.610 12.119 1.00 0.00 C ATOM 231 C LYS A 14 -44.999 11.181 10.733 1.00 0.00 C ATOM 232 O LYS A 14 -44.087 11.453 9.954 1.00 0.00 O ATOM 233 CB LYS A 14 -43.723 11.465 12.936 1.00 0.00 C ATOM 234 CG LYS A 14 -44.208 12.914 13.024 1.00 0.00 C ATOM 235 CD LYS A 14 -43.028 13.887 13.036 1.00 0.00 C ATOM 236 CE LYS A 14 -43.328 15.102 13.918 1.00 0.00 C ATOM 237 NZ LYS A 14 -42.130 15.962 14.040 1.00 0.00 N ATOM 0 H LYS A 14 -43.273 9.189 11.525 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.629 10.609 12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.623 11.050 13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.734 11.436 12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.858 13.136 12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.804 13.048 13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -42.136 13.378 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -42.812 14.215 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -44.152 15.674 13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.648 14.771 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -42.351 16.781 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.354 15.418 14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -41.842 16.292 13.097 1.00 0.00 H new ATOM 251 N CYS A 15 -46.286 11.348 10.468 1.00 0.00 N ATOM 252 CA CYS A 15 -46.724 11.883 9.190 1.00 0.00 C ATOM 253 C CYS A 15 -46.195 13.313 9.060 1.00 0.00 C ATOM 254 O CYS A 15 -46.688 14.224 9.723 1.00 0.00 O ATOM 255 CB CYS A 15 -48.246 11.823 9.042 1.00 0.00 C ATOM 256 SG CYS A 15 -48.726 12.247 7.328 1.00 0.00 S ATOM 0 H CYS A 15 -47.040 11.122 11.117 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.322 11.272 8.382 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.605 10.825 9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.715 12.515 9.741 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.718 11.493 6.956 1.00 0.00 H new ATOM 261 N PHE A 16 -45.196 13.464 8.201 1.00 0.00 N ATOM 262 CA PHE A 16 -44.595 14.767 7.977 1.00 0.00 C ATOM 263 C PHE A 16 -45.547 15.686 7.208 1.00 0.00 C ATOM 264 O PHE A 16 -45.187 16.811 6.864 1.00 0.00 O ATOM 265 CB PHE A 16 -43.336 14.540 7.138 1.00 0.00 C ATOM 266 CG PHE A 16 -42.922 15.749 6.296 1.00 0.00 C ATOM 267 CD1 PHE A 16 -42.116 16.706 6.830 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.360 15.866 5.014 1.00 0.00 C ATOM 269 CE1 PHE A 16 -41.732 17.827 6.048 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.975 16.988 4.232 1.00 0.00 C ATOM 271 CZ PHE A 16 -42.170 17.945 4.766 1.00 0.00 C ATOM 0 H PHE A 16 -44.789 12.706 7.653 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.368 15.241 8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.513 14.273 7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.501 13.689 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -41.768 16.613 7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -44.000 15.106 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -41.092 18.587 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.322 17.081 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 16 -41.879 18.799 4.172 1.00 0.00 H new ATOM 281 N ASN A 17 -46.742 15.172 6.959 1.00 0.00 N ATOM 282 CA ASN A 17 -47.748 15.932 6.237 1.00 0.00 C ATOM 283 C ASN A 17 -48.840 16.379 7.211 1.00 0.00 C ATOM 284 O ASN A 17 -48.840 17.521 7.666 1.00 0.00 O ATOM 285 CB ASN A 17 -48.405 15.079 5.149 1.00 0.00 C ATOM 286 CG ASN A 17 -49.775 15.644 4.763 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.980 16.843 4.680 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.697 14.714 4.534 1.00 0.00 N ATOM 0 H ASN A 17 -47.036 14.238 7.244 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.258 16.790 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.761 15.044 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.517 14.054 5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.644 14.988 4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.458 13.726 4.621 1.00 0.00 H new ATOM 295 N CYS A 18 -49.744 15.455 7.503 1.00 0.00 N ATOM 296 CA CYS A 18 -50.838 15.740 8.414 1.00 0.00 C ATOM 297 C CYS A 18 -50.254 15.964 9.811 1.00 0.00 C ATOM 298 O CYS A 18 -50.793 16.745 10.594 1.00 0.00 O ATOM 299 CB CYS A 18 -51.886 14.626 8.406 1.00 0.00 C ATOM 300 SG CYS A 18 -51.222 13.136 9.235 1.00 0.00 S ATOM 0 H CYS A 18 -49.740 14.508 7.124 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.359 16.641 8.090 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -52.790 14.962 8.914 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.167 14.387 7.380 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.417 12.512 8.427 1.00 0.00 H new ATOM 305 N GLY A 19 -49.162 15.265 10.079 1.00 0.00 N ATOM 306 CA GLY A 19 -48.499 15.378 11.367 1.00 0.00 C ATOM 307 C GLY A 19 -48.770 14.146 12.234 1.00 0.00 C ATOM 308 O GLY A 19 -47.881 13.671 12.939 1.00 0.00 O ATOM 0 H GLY A 19 -48.719 14.618 9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.425 15.493 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -48.847 16.273 11.882 1.00 0.00 H new ATOM 312 N LYS A 20 -50.000 13.662 12.149 1.00 0.00 N ATOM 313 CA LYS A 20 -50.399 12.494 12.916 1.00 0.00 C ATOM 314 C LYS A 20 -49.379 11.374 12.699 1.00 0.00 C ATOM 315 O LYS A 20 -48.676 11.357 11.690 1.00 0.00 O ATOM 316 CB LYS A 20 -51.835 12.092 12.574 1.00 0.00 C ATOM 317 CG LYS A 20 -52.807 12.549 13.664 1.00 0.00 C ATOM 318 CD LYS A 20 -54.258 12.325 13.233 1.00 0.00 C ATOM 319 CE LYS A 20 -55.187 12.270 14.448 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.291 13.244 14.300 1.00 0.00 N ATOM 0 H LYS A 20 -50.734 14.057 11.561 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.402 12.722 13.982 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.122 12.531 11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.896 11.010 12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.609 12.002 14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.647 13.605 13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.572 13.129 12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.335 11.395 12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.593 11.265 14.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.622 12.486 15.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.912 13.194 15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.899 14.204 14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.839 13.020 13.445 1.00 0.00 H new ATOM 334 N GLU A 21 -49.330 10.467 13.663 1.00 0.00 N ATOM 335 CA GLU A 21 -48.407 9.347 13.591 1.00 0.00 C ATOM 336 C GLU A 21 -49.146 8.078 13.161 1.00 0.00 C ATOM 337 O GLU A 21 -50.374 8.027 13.202 1.00 0.00 O ATOM 338 CB GLU A 21 -47.691 9.138 14.927 1.00 0.00 C ATOM 339 CG GLU A 21 -48.696 8.990 16.071 1.00 0.00 C ATOM 340 CD GLU A 21 -47.995 8.579 17.366 1.00 0.00 C ATOM 341 OE1 GLU A 21 -46.891 8.002 17.257 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.578 8.853 18.438 1.00 0.00 O ATOM 0 H GLU A 21 -49.915 10.485 14.499 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.648 9.575 12.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.064 8.248 14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.030 9.982 15.126 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.222 9.932 16.222 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.446 8.245 15.807 1.00 0.00 H new ATOM 349 N GLY A 22 -48.366 7.085 12.758 1.00 0.00 N ATOM 350 CA GLY A 22 -48.932 5.819 12.322 1.00 0.00 C ATOM 351 C GLY A 22 -48.633 5.567 10.842 1.00 0.00 C ATOM 352 O GLY A 22 -48.452 4.423 10.429 1.00 0.00 O ATOM 0 H GLY A 22 -47.348 7.131 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.523 5.007 12.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -50.010 5.823 12.484 1.00 0.00 H new ATOM 356 N HIS A 23 -48.590 6.655 10.087 1.00 0.00 N ATOM 357 CA HIS A 23 -48.317 6.566 8.662 1.00 0.00 C ATOM 358 C HIS A 23 -47.503 7.784 8.218 1.00 0.00 C ATOM 359 O HIS A 23 -47.158 8.635 9.036 1.00 0.00 O ATOM 360 CB HIS A 23 -49.614 6.398 7.869 1.00 0.00 C ATOM 361 CG HIS A 23 -50.503 7.620 7.881 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.629 7.720 8.677 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.418 8.790 7.184 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.190 8.900 8.463 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.439 9.562 7.536 1.00 0.00 N ATOM 0 H HIS A 23 -48.739 7.602 10.435 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.718 5.678 8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.367 6.151 6.836 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -50.170 5.553 8.275 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.651 9.045 6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.085 9.273 8.939 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.630 10.496 7.173 1.00 0.00 H new ATOM 373 N ILE A 24 -47.222 7.828 6.925 1.00 0.00 N ATOM 374 CA ILE A 24 -46.456 8.927 6.363 1.00 0.00 C ATOM 375 C ILE A 24 -47.281 9.614 5.273 1.00 0.00 C ATOM 376 O ILE A 24 -48.255 9.048 4.777 1.00 0.00 O ATOM 377 CB ILE A 24 -45.089 8.436 5.881 1.00 0.00 C ATOM 378 CG1 ILE A 24 -45.240 7.310 4.857 1.00 0.00 C ATOM 379 CG2 ILE A 24 -44.207 8.023 7.061 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.915 7.035 4.143 1.00 0.00 C ATOM 0 H ILE A 24 -47.511 7.120 6.250 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.249 9.676 7.127 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.588 9.263 5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.583 6.404 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -46.002 7.579 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.242 7.678 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.058 8.878 7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.692 7.218 7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -44.051 6.230 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.587 7.936 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -43.161 6.743 4.874 1.00 0.00 H new ATOM 392 N ALA A 25 -46.864 10.824 4.933 1.00 0.00 N ATOM 393 CA ALA A 25 -47.552 11.594 3.911 1.00 0.00 C ATOM 394 C ALA A 25 -47.653 10.760 2.632 1.00 0.00 C ATOM 395 O ALA A 25 -48.684 10.771 1.960 1.00 0.00 O ATOM 396 CB ALA A 25 -46.818 12.918 3.688 1.00 0.00 C ATOM 0 H ALA A 25 -46.057 11.291 5.347 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.567 11.834 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.334 13.496 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.800 13.485 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.796 12.718 3.365 1.00 0.00 H new ATOM 402 N LYS A 26 -46.570 10.058 2.334 1.00 0.00 N ATOM 403 CA LYS A 26 -46.524 9.221 1.148 1.00 0.00 C ATOM 404 C LYS A 26 -47.873 8.521 0.970 1.00 0.00 C ATOM 405 O LYS A 26 -48.270 8.205 -0.151 1.00 0.00 O ATOM 406 CB LYS A 26 -45.337 8.258 1.217 1.00 0.00 C ATOM 407 CG LYS A 26 -45.812 6.811 1.362 1.00 0.00 C ATOM 408 CD LYS A 26 -44.755 5.833 0.845 1.00 0.00 C ATOM 409 CE LYS A 26 -43.348 6.413 0.999 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.921 7.077 -0.252 1.00 0.00 N ATOM 0 H LYS A 26 -45.717 10.052 2.894 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.360 9.830 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.731 8.357 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.699 8.521 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -46.028 6.599 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.742 6.673 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -44.826 4.893 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -44.946 5.607 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -43.331 7.128 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.647 5.618 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -42.112 6.565 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -43.708 7.075 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -42.643 8.058 -0.047 1.00 0.00 H new ATOM 424 N ASN A 27 -48.542 8.300 2.092 1.00 0.00 N ATOM 425 CA ASN A 27 -49.838 7.644 2.074 1.00 0.00 C ATOM 426 C ASN A 27 -50.678 8.152 3.248 1.00 0.00 C ATOM 427 O ASN A 27 -51.108 7.369 4.093 1.00 0.00 O ATOM 428 CB ASN A 27 -49.690 6.128 2.221 1.00 0.00 C ATOM 429 CG ASN A 27 -48.385 5.771 2.933 1.00 0.00 C ATOM 430 OD1 ASN A 27 -48.172 6.459 4.051 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -47.620 4.926 2.498 1.00 0.00 N flip ATOM 0 H ASN A 27 -48.211 8.564 3.020 1.00 0.00 H new ATOM 0 HA ASN A 27 -50.317 7.869 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -50.535 5.729 2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -49.711 5.660 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -47.843 4.433 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.758 4.712 2.999 1.00 0.00 H new ATOM 438 N CYS A 28 -50.887 9.460 3.261 1.00 0.00 N ATOM 439 CA CYS A 28 -51.668 10.082 4.317 1.00 0.00 C ATOM 440 C CYS A 28 -53.147 9.791 4.056 1.00 0.00 C ATOM 441 O CYS A 28 -53.609 9.880 2.919 1.00 0.00 O ATOM 442 CB CYS A 28 -51.391 11.583 4.417 1.00 0.00 C ATOM 443 SG CYS A 28 -52.395 12.318 5.758 1.00 0.00 S ATOM 0 H CYS A 28 -50.529 10.106 2.558 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.380 9.661 5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.332 11.753 4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.625 12.068 3.469 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.674 12.419 6.835 1.00 0.00 H new ATOM 448 N ARG A 29 -53.849 9.450 5.127 1.00 0.00 N ATOM 449 CA ARG A 29 -55.266 9.146 5.027 1.00 0.00 C ATOM 450 C ARG A 29 -56.088 10.437 5.036 1.00 0.00 C ATOM 451 O ARG A 29 -57.149 10.506 4.416 1.00 0.00 O ATOM 452 CB ARG A 29 -55.720 8.252 6.182 1.00 0.00 C ATOM 453 CG ARG A 29 -57.102 7.657 5.905 1.00 0.00 C ATOM 454 CD ARG A 29 -56.989 6.354 5.111 1.00 0.00 C ATOM 455 NE ARG A 29 -57.637 6.508 3.790 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.958 6.647 3.614 1.00 0.00 C ATOM 457 NH1 ARG A 29 -59.779 6.653 4.673 1.00 0.00 N ATOM 458 NH2 ARG A 29 -59.459 6.782 2.378 1.00 0.00 N ATOM 0 H ARG A 29 -53.463 9.378 6.068 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.426 8.616 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.998 7.449 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.748 8.831 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -57.617 7.469 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -57.706 8.374 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -55.940 6.087 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -57.459 5.540 5.663 1.00 0.00 H new ATOM 0 HE ARG A 29 -57.041 6.508 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -59.398 6.552 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -60.784 6.759 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -58.835 6.779 1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.465 6.888 2.244 1.00 0.00 H new ATOM 472 N ALA A 30 -55.568 11.427 5.745 1.00 0.00 N ATOM 473 CA ALA A 30 -56.240 12.711 5.843 1.00 0.00 C ATOM 474 C ALA A 30 -56.712 13.142 4.453 1.00 0.00 C ATOM 475 O ALA A 30 -56.121 12.756 3.445 1.00 0.00 O ATOM 476 CB ALA A 30 -55.298 13.735 6.481 1.00 0.00 C ATOM 0 H ALA A 30 -54.688 11.366 6.258 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.120 12.635 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.803 14.698 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.015 13.397 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.404 13.840 5.866 1.00 0.00 H new ATOM 482 N PRO A 31 -57.801 13.957 4.442 1.00 0.00 N ATOM 483 CA PRO A 31 -58.359 14.444 3.193 1.00 0.00 C ATOM 484 C PRO A 31 -57.484 15.548 2.594 1.00 0.00 C ATOM 485 O PRO A 31 -57.988 16.600 2.203 1.00 0.00 O ATOM 486 CB PRO A 31 -59.758 14.921 3.546 1.00 0.00 C ATOM 487 CG PRO A 31 -59.764 15.116 5.054 1.00 0.00 C ATOM 488 CD PRO A 31 -58.527 14.435 5.615 1.00 0.00 C ATOM 0 HA PRO A 31 -58.398 13.675 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -59.995 15.852 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.508 14.190 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -59.761 16.177 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.667 14.689 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -57.923 15.130 6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.795 13.612 6.277 1.00 0.00 H new ATOM 496 N ARG A 32 -56.190 15.271 2.544 1.00 0.00 N ATOM 497 CA ARG A 32 -55.241 16.226 2.000 1.00 0.00 C ATOM 498 C ARG A 32 -55.133 16.064 0.482 1.00 0.00 C ATOM 499 O ARG A 32 -55.833 15.243 -0.108 1.00 0.00 O ATOM 500 CB ARG A 32 -53.856 16.043 2.625 1.00 0.00 C ATOM 501 CG ARG A 32 -53.732 16.839 3.926 1.00 0.00 C ATOM 502 CD ARG A 32 -54.627 16.247 5.017 1.00 0.00 C ATOM 503 NE ARG A 32 -55.580 17.271 5.499 1.00 0.00 N ATOM 504 CZ ARG A 32 -55.254 18.270 6.330 1.00 0.00 C ATOM 505 NH1 ARG A 32 -53.996 18.386 6.777 1.00 0.00 N ATOM 506 NH2 ARG A 32 -56.186 19.152 6.715 1.00 0.00 N ATOM 0 H ARG A 32 -55.776 14.398 2.872 1.00 0.00 H new ATOM 0 HA ARG A 32 -55.605 17.226 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -53.679 14.986 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -53.090 16.368 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -52.695 16.837 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -54.008 17.879 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -55.171 15.387 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -54.016 15.888 5.845 1.00 0.00 H new ATOM 0 HE ARG A 32 -56.546 17.213 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -53.287 17.714 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -53.748 19.147 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -57.144 19.063 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -55.938 19.913 7.348 1.00 0.00 H new ATOM 520 N LYS A 33 -54.253 16.861 -0.105 1.00 0.00 N ATOM 521 CA LYS A 33 -54.045 16.816 -1.543 1.00 0.00 C ATOM 522 C LYS A 33 -54.990 17.809 -2.221 1.00 0.00 C ATOM 523 O LYS A 33 -54.779 18.185 -3.373 1.00 0.00 O ATOM 524 CB LYS A 33 -54.185 15.383 -2.059 1.00 0.00 C ATOM 525 CG LYS A 33 -53.409 15.193 -3.365 1.00 0.00 C ATOM 526 CD LYS A 33 -54.344 15.265 -4.573 1.00 0.00 C ATOM 527 CE LYS A 33 -54.042 16.498 -5.427 1.00 0.00 C ATOM 528 NZ LYS A 33 -55.299 17.140 -5.872 1.00 0.00 N ATOM 0 H LYS A 33 -53.676 17.542 0.388 1.00 0.00 H new ATOM 0 HA LYS A 33 -53.029 17.122 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -53.817 14.684 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -55.238 15.152 -2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -52.639 15.960 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -52.899 14.230 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -54.234 14.364 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -55.380 15.297 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -53.447 17.208 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -53.447 16.211 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -55.129 17.661 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -56.023 16.411 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -55.630 17.800 -5.139 1.00 0.00 H new ATOM 542 N LYS A 34 -56.013 18.206 -1.478 1.00 0.00 N ATOM 543 CA LYS A 34 -56.991 19.149 -1.994 1.00 0.00 C ATOM 544 C LYS A 34 -57.401 20.113 -0.879 1.00 0.00 C ATOM 545 O LYS A 34 -58.535 20.589 -0.852 1.00 0.00 O ATOM 546 CB LYS A 34 -58.168 18.405 -2.629 1.00 0.00 C ATOM 547 CG LYS A 34 -58.605 17.226 -1.758 1.00 0.00 C ATOM 548 CD LYS A 34 -59.658 16.376 -2.474 1.00 0.00 C ATOM 549 CE LYS A 34 -61.071 16.794 -2.062 1.00 0.00 C ATOM 550 NZ LYS A 34 -61.628 15.840 -1.078 1.00 0.00 N ATOM 0 H LYS A 34 -56.186 17.892 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.557 19.751 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.005 19.090 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.885 18.046 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -57.740 16.610 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -59.010 17.596 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -59.544 16.481 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -59.503 15.323 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -61.050 17.796 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -61.715 16.836 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -62.587 16.139 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -61.667 14.890 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -61.022 15.820 -0.233 1.00 0.00 H new ATOM 564 N GLY A 35 -56.457 20.370 0.014 1.00 0.00 N ATOM 565 CA GLY A 35 -56.706 21.269 1.128 1.00 0.00 C ATOM 566 C GLY A 35 -55.405 21.904 1.622 1.00 0.00 C ATOM 567 O GLY A 35 -54.360 21.254 1.641 1.00 0.00 O ATOM 0 H GLY A 35 -55.518 19.971 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.402 22.050 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.180 20.722 1.943 1.00 0.00 H new ATOM 571 N CYS A 36 -55.510 23.168 2.008 1.00 0.00 N ATOM 572 CA CYS A 36 -54.354 23.898 2.500 1.00 0.00 C ATOM 573 C CYS A 36 -53.995 23.352 3.884 1.00 0.00 C ATOM 574 O CYS A 36 -54.699 23.609 4.860 1.00 0.00 O ATOM 575 CB CYS A 36 -54.609 25.406 2.531 1.00 0.00 C ATOM 576 SG CYS A 36 -53.096 26.286 3.065 1.00 0.00 S ATOM 0 H CYS A 36 -56.377 23.704 1.990 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.513 23.752 1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.911 25.752 1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.430 25.630 3.212 1.00 0.00 H new ATOM 0 HG CYS A 36 -53.401 27.501 3.414 1.00 0.00 H new ATOM 581 N TRP A 37 -52.898 22.608 3.925 1.00 0.00 N ATOM 582 CA TRP A 37 -52.437 22.024 5.173 1.00 0.00 C ATOM 583 C TRP A 37 -51.501 23.029 5.848 1.00 0.00 C ATOM 584 O TRP A 37 -50.749 22.671 6.753 1.00 0.00 O ATOM 585 CB TRP A 37 -51.779 20.664 4.931 1.00 0.00 C ATOM 586 CG TRP A 37 -50.280 20.634 5.235 1.00 0.00 C ATOM 587 CD1 TRP A 37 -49.597 19.711 5.926 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.300 21.613 4.829 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.255 20.022 5.995 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.068 21.215 5.306 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.451 22.796 4.084 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -46.892 21.942 5.090 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.265 23.511 3.877 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.017 23.124 4.350 1.00 0.00 C ATOM 0 H TRP A 37 -52.316 22.397 3.114 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.276 21.827 5.840 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.279 19.916 5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -51.934 20.377 3.891 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.041 18.834 6.373 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -47.532 19.477 6.465 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.406 23.127 3.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -45.939 21.609 5.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.324 24.428 3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.148 23.732 4.148 1.00 0.00 H new ATOM 605 N LYS A 38 -51.577 24.266 5.381 1.00 0.00 N ATOM 606 CA LYS A 38 -50.746 25.325 5.928 1.00 0.00 C ATOM 607 C LYS A 38 -51.604 26.241 6.802 1.00 0.00 C ATOM 608 O LYS A 38 -51.126 26.783 7.798 1.00 0.00 O ATOM 609 CB LYS A 38 -50.008 26.061 4.807 1.00 0.00 C ATOM 610 CG LYS A 38 -48.602 26.467 5.251 1.00 0.00 C ATOM 611 CD LYS A 38 -47.940 27.375 4.213 1.00 0.00 C ATOM 612 CE LYS A 38 -46.890 28.279 4.865 1.00 0.00 C ATOM 613 NZ LYS A 38 -45.548 27.997 4.310 1.00 0.00 N ATOM 0 H LYS A 38 -52.201 24.559 4.630 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.970 24.907 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.945 25.421 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.572 26.948 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.654 26.983 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.993 25.576 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.472 26.767 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -48.698 27.986 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.147 29.325 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -46.885 28.121 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -44.822 28.406 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -45.408 26.968 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -45.469 28.418 3.362 1.00 0.00 H new ATOM 627 N CYS A 39 -52.858 26.387 6.399 1.00 0.00 N ATOM 628 CA CYS A 39 -53.788 27.228 7.134 1.00 0.00 C ATOM 629 C CYS A 39 -54.858 26.329 7.758 1.00 0.00 C ATOM 630 O CYS A 39 -55.209 26.495 8.925 1.00 0.00 O ATOM 631 CB CYS A 39 -54.400 28.308 6.240 1.00 0.00 C ATOM 632 SG CYS A 39 -55.379 27.534 4.902 1.00 0.00 S ATOM 0 H CYS A 39 -53.252 25.937 5.573 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.257 27.760 7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.036 28.965 6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.612 28.928 5.813 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.616 26.744 4.207 1.00 0.00 H new ATOM 637 N GLY A 40 -55.346 25.398 6.952 1.00 0.00 N ATOM 638 CA GLY A 40 -56.369 24.473 7.411 1.00 0.00 C ATOM 639 C GLY A 40 -57.698 24.728 6.697 1.00 0.00 C ATOM 640 O GLY A 40 -58.766 24.523 7.273 1.00 0.00 O ATOM 0 H GLY A 40 -55.052 25.264 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.045 23.448 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.504 24.579 8.487 1.00 0.00 H new ATOM 644 N LYS A 41 -57.590 25.171 5.453 1.00 0.00 N ATOM 645 CA LYS A 41 -58.771 25.456 4.655 1.00 0.00 C ATOM 646 C LYS A 41 -58.759 24.576 3.403 1.00 0.00 C ATOM 647 O LYS A 41 -57.827 24.643 2.602 1.00 0.00 O ATOM 648 CB LYS A 41 -58.864 26.953 4.354 1.00 0.00 C ATOM 649 CG LYS A 41 -59.877 27.635 5.276 1.00 0.00 C ATOM 650 CD LYS A 41 -60.537 28.828 4.580 1.00 0.00 C ATOM 651 CE LYS A 41 -61.632 29.438 5.458 1.00 0.00 C ATOM 652 NZ LYS A 41 -61.843 30.860 5.109 1.00 0.00 N ATOM 0 H LYS A 41 -56.703 25.340 4.978 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.676 25.209 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.884 27.414 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -59.156 27.101 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.640 26.918 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.378 27.970 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.785 29.583 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -60.964 28.508 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.562 28.884 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.354 29.353 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -62.589 31.259 5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.959 31.388 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -62.129 30.934 4.112 1.00 0.00 H new ATOM 666 N GLU A 42 -59.804 23.773 3.273 1.00 0.00 N ATOM 667 CA GLU A 42 -59.925 22.881 2.133 1.00 0.00 C ATOM 668 C GLU A 42 -60.381 23.660 0.896 1.00 0.00 C ATOM 669 O GLU A 42 -60.911 24.763 1.014 1.00 0.00 O ATOM 670 CB GLU A 42 -60.885 21.729 2.437 1.00 0.00 C ATOM 671 CG GLU A 42 -62.317 22.238 2.607 1.00 0.00 C ATOM 672 CD GLU A 42 -62.716 22.272 4.084 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.416 21.276 4.776 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.311 23.296 4.486 1.00 0.00 O ATOM 0 H GLU A 42 -60.575 23.721 3.939 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.945 22.450 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.849 20.998 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.567 21.216 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.405 23.237 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -63.003 21.595 2.056 1.00 0.00 H new ATOM 681 N GLY A 43 -60.154 23.055 -0.260 1.00 0.00 N ATOM 682 CA GLY A 43 -60.534 23.678 -1.517 1.00 0.00 C ATOM 683 C GLY A 43 -59.327 24.338 -2.188 1.00 0.00 C ATOM 684 O GLY A 43 -59.445 24.886 -3.284 1.00 0.00 O ATOM 0 H GLY A 43 -59.712 22.140 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.961 22.929 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.308 24.424 -1.338 1.00 0.00 H new ATOM 688 N HIS A 44 -58.196 24.265 -1.504 1.00 0.00 N ATOM 689 CA HIS A 44 -56.969 24.849 -2.019 1.00 0.00 C ATOM 690 C HIS A 44 -55.768 24.250 -1.285 1.00 0.00 C ATOM 691 O HIS A 44 -55.928 23.376 -0.435 1.00 0.00 O ATOM 692 CB HIS A 44 -57.017 26.376 -1.934 1.00 0.00 C ATOM 693 CG HIS A 44 -56.671 26.926 -0.571 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.523 26.829 0.515 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.557 27.579 -0.131 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.938 27.401 1.557 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.721 27.866 1.155 1.00 0.00 N ATOM 0 H HIS A 44 -58.103 23.810 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.861 24.606 -3.076 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.327 26.792 -2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -58.017 26.714 -2.208 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.444 26.392 0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.690 27.821 -0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.353 27.484 2.551 1.00 0.00 H new ATOM 705 N GLN A 45 -54.592 24.747 -1.639 1.00 0.00 N ATOM 706 CA GLN A 45 -53.364 24.274 -1.023 1.00 0.00 C ATOM 707 C GLN A 45 -52.525 25.456 -0.533 1.00 0.00 C ATOM 708 O GLN A 45 -52.845 26.608 -0.819 1.00 0.00 O ATOM 709 CB GLN A 45 -52.565 23.400 -1.993 1.00 0.00 C ATOM 710 CG GLN A 45 -51.839 24.256 -3.031 1.00 0.00 C ATOM 711 CD GLN A 45 -50.420 23.737 -3.274 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.635 23.551 -2.359 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.137 23.515 -4.554 1.00 0.00 N ATOM 0 H GLN A 45 -54.464 25.472 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.627 23.659 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.841 22.803 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.235 22.703 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.397 24.250 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.798 25.291 -2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.841 23.692 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.216 23.168 -4.820 1.00 0.00 H new ATOM 722 N MET A 46 -51.468 25.128 0.195 1.00 0.00 N ATOM 723 CA MET A 46 -50.580 26.149 0.728 1.00 0.00 C ATOM 724 C MET A 46 -49.987 26.999 -0.397 1.00 0.00 C ATOM 725 O MET A 46 -49.731 28.187 -0.212 1.00 0.00 O ATOM 726 CB MET A 46 -49.451 25.483 1.516 1.00 0.00 C ATOM 727 CG MET A 46 -48.340 25.000 0.581 1.00 0.00 C ATOM 728 SD MET A 46 -47.140 26.299 0.337 1.00 0.00 S ATOM 729 CE MET A 46 -45.957 25.868 1.602 1.00 0.00 C ATOM 0 H MET A 46 -51.206 24.170 0.429 1.00 0.00 H new ATOM 0 HA MET A 46 -51.157 26.800 1.385 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.042 26.189 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 46 -49.846 24.640 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.855 24.120 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.764 24.701 -0.377 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.502 26.775 1.999 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.463 25.333 2.406 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.182 25.232 1.174 1.00 0.00 H new ATOM 739 N LYS A 47 -49.784 26.357 -1.538 1.00 0.00 N ATOM 740 CA LYS A 47 -49.225 27.039 -2.692 1.00 0.00 C ATOM 741 C LYS A 47 -50.194 28.131 -3.152 1.00 0.00 C ATOM 742 O LYS A 47 -49.821 29.009 -3.930 1.00 0.00 O ATOM 743 CB LYS A 47 -48.868 26.034 -3.788 1.00 0.00 C ATOM 744 CG LYS A 47 -47.826 26.616 -4.747 1.00 0.00 C ATOM 745 CD LYS A 47 -46.409 26.393 -4.218 1.00 0.00 C ATOM 746 CE LYS A 47 -45.812 25.099 -4.775 1.00 0.00 C ATOM 747 NZ LYS A 47 -46.583 23.927 -4.304 1.00 0.00 N ATOM 0 H LYS A 47 -49.997 25.371 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 47 -48.290 27.532 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.482 25.120 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.766 25.761 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.929 26.151 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -48.005 27.683 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.777 27.237 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.426 26.350 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.815 25.130 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.772 25.007 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -45.995 23.072 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -46.863 24.071 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -47.434 23.813 -4.891 1.00 0.00 H new ATOM 761 N ASP A 48 -51.418 28.041 -2.653 1.00 0.00 N ATOM 762 CA ASP A 48 -52.442 29.011 -3.003 1.00 0.00 C ATOM 763 C ASP A 48 -53.169 29.458 -1.733 1.00 0.00 C ATOM 764 O ASP A 48 -54.344 29.820 -1.782 1.00 0.00 O ATOM 765 CB ASP A 48 -53.476 28.401 -3.950 1.00 0.00 C ATOM 766 CG ASP A 48 -54.403 29.409 -4.631 1.00 0.00 C ATOM 767 OD1 ASP A 48 -53.883 30.466 -5.050 1.00 0.00 O ATOM 768 OD2 ASP A 48 -55.612 29.101 -4.717 1.00 0.00 O ATOM 0 H ASP A 48 -51.724 27.311 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.956 29.854 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.952 27.834 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -54.085 27.691 -3.390 1.00 0.00 H new ATOM 773 N CYS A 49 -52.441 29.418 -0.626 1.00 0.00 N ATOM 774 CA CYS A 49 -53.002 29.815 0.653 1.00 0.00 C ATOM 775 C CYS A 49 -53.502 31.256 0.533 1.00 0.00 C ATOM 776 O CYS A 49 -52.897 32.070 -0.162 1.00 0.00 O ATOM 777 CB CYS A 49 -51.990 29.654 1.790 1.00 0.00 C ATOM 778 SG CYS A 49 -52.853 29.672 3.403 1.00 0.00 S ATOM 0 H CYS A 49 -51.467 29.116 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.838 29.162 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.443 28.719 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.256 30.459 1.752 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.985 29.532 4.361 1.00 0.00 H new ATOM 783 N THR A 50 -54.601 31.527 1.222 1.00 0.00 N ATOM 784 CA THR A 50 -55.188 32.856 1.201 1.00 0.00 C ATOM 785 C THR A 50 -55.207 33.453 2.609 1.00 0.00 C ATOM 786 O THR A 50 -55.879 34.454 2.854 1.00 0.00 O ATOM 787 CB THR A 50 -56.577 32.750 0.567 1.00 0.00 C ATOM 788 OG1 THR A 50 -57.096 34.074 0.646 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.544 31.918 1.412 1.00 0.00 C ATOM 0 H THR A 50 -55.100 30.849 1.798 1.00 0.00 H new ATOM 0 HA THR A 50 -54.592 33.542 0.599 1.00 0.00 H new ATOM 0 HB THR A 50 -56.491 32.308 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.906 34.448 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.514 31.874 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 -57.150 30.908 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 50 -57.657 32.378 2.394 1.00 0.00 H new ATOM 797 N GLU A 51 -54.463 32.812 3.499 1.00 0.00 N ATOM 798 CA GLU A 51 -54.386 33.268 4.876 1.00 0.00 C ATOM 799 C GLU A 51 -53.737 34.651 4.944 1.00 0.00 C ATOM 800 O GLU A 51 -54.346 35.604 5.427 1.00 0.00 O ATOM 801 CB GLU A 51 -53.626 32.262 5.745 1.00 0.00 C ATOM 802 CG GLU A 51 -54.015 32.404 7.217 1.00 0.00 C ATOM 803 CD GLU A 51 -53.355 33.636 7.842 1.00 0.00 C ATOM 804 OE1 GLU A 51 -52.231 33.474 8.363 1.00 0.00 O ATOM 805 OE2 GLU A 51 -53.990 34.711 7.783 1.00 0.00 O ATOM 0 H GLU A 51 -53.909 31.981 3.293 1.00 0.00 H new ATOM 0 HA GLU A 51 -55.400 33.346 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.839 31.249 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -52.553 32.417 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -55.099 32.484 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -53.716 31.510 7.764 1.00 0.00 H new