USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 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 36 CYS SG : rot -123:sc= -0.467! USER MOD Set 1.2: A 38 LYS NZ :NH3+ 149:sc= 0.0389 (180deg=0) USER MOD Set 1.3: A 39 CYS SG : rot -99:sc= -1.93! USER MOD Set 1.4: A 44 HIS :FLIP no HE2:sc= -8.3! C(o=-14!,f=-11!) USER MOD Set 1.5: A 49 CYS SG : rot 157:sc= 0.131 USER MOD Set 2.1: A 15 CYS SG : rot 158:sc= -0.453 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.127 K(o=-5.8,f=-7) USER MOD Set 2.3: A 18 CYS SG : rot -73:sc= -0.672 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -5.25! C(o=-5.8!,f=-12!) USER MOD Set 2.5: A 28 CYS SG : rot 105:sc= 0.679 USER MOD Single : A 2 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.5!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.5!) USER MOD Single : A 8 ASN : amide:sc= -0.977 K(o=-0.98,f=-2.6!) USER MOD Single : A 9 GLN : amide:sc= 0.352 K(o=0.35,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.24 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+ -156:sc= -0.585 (180deg=-1.41) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.92! C(o=-5.9!,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0223) 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 45 GLN : amide:sc= -4.33! C(o=-4.3!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= -0.283 (180deg=-0.423) USER MOD Single : A 50 THR OG1 : rot -60:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -31.490 9.783 6.303 1.00 0.00 N ATOM 19 CA GLN A 2 -31.355 8.337 6.343 1.00 0.00 C ATOM 20 C GLN A 2 -32.719 7.671 6.150 1.00 0.00 C ATOM 21 O GLN A 2 -33.604 7.804 6.994 1.00 0.00 O ATOM 22 CB GLN A 2 -30.703 7.882 7.650 1.00 0.00 C ATOM 23 CG GLN A 2 -29.479 7.006 7.377 1.00 0.00 C ATOM 24 CD GLN A 2 -28.606 6.879 8.627 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.816 7.538 9.633 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.618 5.997 8.509 1.00 0.00 N ATOM 0 HA GLN A 2 -30.703 8.030 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.408 8.753 8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -31.426 7.326 8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -29.801 6.017 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -28.895 7.435 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -27.498 5.479 7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -26.980 5.839 9.289 1.00 0.00 H new ATOM 35 N LYS A 3 -32.847 6.969 5.034 1.00 0.00 N ATOM 36 CA LYS A 3 -34.088 6.282 4.719 1.00 0.00 C ATOM 37 C LYS A 3 -34.431 5.313 5.853 1.00 0.00 C ATOM 38 O LYS A 3 -35.603 5.090 6.151 1.00 0.00 O ATOM 39 CB LYS A 3 -33.998 5.614 3.345 1.00 0.00 C ATOM 40 CG LYS A 3 -32.925 4.523 3.335 1.00 0.00 C ATOM 41 CD LYS A 3 -31.799 4.871 2.360 1.00 0.00 C ATOM 42 CE LYS A 3 -30.581 3.973 2.586 1.00 0.00 C ATOM 43 NZ LYS A 3 -30.355 3.102 1.411 1.00 0.00 N ATOM 0 H LYS A 3 -32.111 6.861 4.336 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.910 6.994 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.964 5.182 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.768 6.363 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -32.517 4.400 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.373 3.570 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.153 4.759 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.514 5.915 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.698 4.586 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.732 3.362 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.525 2.499 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.192 2.504 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.189 3.690 0.569 1.00 0.00 H new ATOM 57 N GLY A 4 -33.387 4.762 6.454 1.00 0.00 N ATOM 58 CA GLY A 4 -33.561 3.822 7.548 1.00 0.00 C ATOM 59 C GLY A 4 -34.318 4.469 8.710 1.00 0.00 C ATOM 60 O GLY A 4 -34.884 3.772 9.551 1.00 0.00 O ATOM 0 H GLY A 4 -32.416 4.949 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.106 2.946 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.587 3.474 7.892 1.00 0.00 H new ATOM 64 N ASN A 5 -34.303 5.794 8.720 1.00 0.00 N ATOM 65 CA ASN A 5 -34.979 6.542 9.765 1.00 0.00 C ATOM 66 C ASN A 5 -36.464 6.169 9.774 1.00 0.00 C ATOM 67 O ASN A 5 -37.087 6.113 10.833 1.00 0.00 O ATOM 68 CB ASN A 5 -34.872 8.048 9.522 1.00 0.00 C ATOM 69 CG ASN A 5 -33.441 8.539 9.748 1.00 0.00 C ATOM 70 OD1 ASN A 5 -32.563 7.802 10.167 1.00 0.00 O ATOM 71 ND2 ASN A 5 -33.256 9.822 9.450 1.00 0.00 N ATOM 0 H ASN A 5 -33.833 6.368 8.020 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.506 6.296 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -35.183 8.279 8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.552 8.577 10.190 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -32.336 10.245 9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -34.035 10.382 9.103 1.00 0.00 H new ATOM 78 N PHE A 6 -36.986 5.923 8.581 1.00 0.00 N ATOM 79 CA PHE A 6 -38.385 5.558 8.439 1.00 0.00 C ATOM 80 C PHE A 6 -38.696 4.271 9.207 1.00 0.00 C ATOM 81 O PHE A 6 -39.861 3.939 9.422 1.00 0.00 O ATOM 82 CB PHE A 6 -38.635 5.320 6.948 1.00 0.00 C ATOM 83 CG PHE A 6 -40.098 5.033 6.601 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.075 5.283 7.513 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.419 4.529 5.380 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.432 5.016 7.190 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.777 4.262 5.057 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.754 4.512 5.969 1.00 0.00 C ATOM 0 H PHE A 6 -36.466 5.969 7.705 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.019 6.350 8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.305 6.196 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.022 4.482 6.616 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.819 5.684 8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.642 4.332 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.208 5.213 7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.033 3.861 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.786 4.310 5.723 1.00 0.00 H new ATOM 98 N ARG A 7 -37.636 3.582 9.599 1.00 0.00 N ATOM 99 CA ARG A 7 -37.780 2.340 10.339 1.00 0.00 C ATOM 100 C ARG A 7 -38.556 2.582 11.636 1.00 0.00 C ATOM 101 O ARG A 7 -39.032 1.637 12.265 1.00 0.00 O ATOM 102 CB ARG A 7 -36.416 1.735 10.674 1.00 0.00 C ATOM 103 CG ARG A 7 -35.759 2.477 11.840 1.00 0.00 C ATOM 104 CD ARG A 7 -34.383 1.887 12.159 1.00 0.00 C ATOM 105 NE ARG A 7 -33.379 2.396 11.198 1.00 0.00 N ATOM 106 CZ ARG A 7 -32.169 1.851 11.016 1.00 0.00 C ATOM 107 NH1 ARG A 7 -31.805 0.776 11.728 1.00 0.00 N ATOM 108 NH2 ARG A 7 -31.323 2.382 10.124 1.00 0.00 N ATOM 0 H ARG A 7 -36.672 3.860 9.418 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.328 1.641 9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -36.534 0.682 10.929 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.769 1.781 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.657 3.534 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.398 2.416 12.721 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.092 2.151 13.176 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -34.425 0.799 12.112 1.00 0.00 H new ATOM 0 HE ARG A 7 -33.624 3.213 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -32.449 0.373 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -30.884 0.361 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -31.600 3.201 9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -30.402 1.967 9.985 1.00 0.00 H new ATOM 122 N ASN A 8 -38.658 3.852 11.999 1.00 0.00 N ATOM 123 CA ASN A 8 -39.367 4.231 13.209 1.00 0.00 C ATOM 124 C ASN A 8 -40.813 3.735 13.124 1.00 0.00 C ATOM 125 O ASN A 8 -41.509 3.665 14.136 1.00 0.00 O ATOM 126 CB ASN A 8 -39.398 5.750 13.377 1.00 0.00 C ATOM 127 CG ASN A 8 -39.585 6.136 14.847 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.642 6.432 15.562 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.850 6.117 15.254 1.00 0.00 N ATOM 0 H ASN A 8 -38.261 4.632 11.476 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.848 3.785 14.057 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.470 6.180 13.000 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -40.209 6.169 12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -41.079 6.360 16.218 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.592 5.860 14.603 1.00 0.00 H new ATOM 136 N GLN A 9 -41.221 3.404 11.908 1.00 0.00 N ATOM 137 CA GLN A 9 -42.570 2.917 11.678 1.00 0.00 C ATOM 138 C GLN A 9 -42.849 1.694 12.554 1.00 0.00 C ATOM 139 O GLN A 9 -43.991 1.454 12.945 1.00 0.00 O ATOM 140 CB GLN A 9 -42.792 2.594 10.200 1.00 0.00 C ATOM 141 CG GLN A 9 -44.203 2.989 9.758 1.00 0.00 C ATOM 142 CD GLN A 9 -45.026 1.754 9.385 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.509 0.743 8.941 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.332 1.894 9.590 1.00 0.00 N ATOM 0 H GLN A 9 -40.641 3.464 11.071 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.271 3.705 11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.056 3.122 9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.639 1.528 10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.701 3.533 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.145 3.664 8.904 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.698 2.769 9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.968 1.126 9.372 1.00 0.00 H new ATOM 153 N ARG A 10 -41.788 0.953 12.837 1.00 0.00 N ATOM 154 CA ARG A 10 -41.905 -0.239 13.660 1.00 0.00 C ATOM 155 C ARG A 10 -42.525 0.110 15.014 1.00 0.00 C ATOM 156 O ARG A 10 -43.128 -0.744 15.663 1.00 0.00 O ATOM 157 CB ARG A 10 -40.538 -0.889 13.884 1.00 0.00 C ATOM 158 CG ARG A 10 -40.572 -2.376 13.527 1.00 0.00 C ATOM 159 CD ARG A 10 -39.344 -2.770 12.705 1.00 0.00 C ATOM 160 NE ARG A 10 -38.331 -3.401 13.580 1.00 0.00 N ATOM 161 CZ ARG A 10 -37.034 -3.525 13.262 1.00 0.00 C ATOM 162 NH1 ARG A 10 -36.586 -3.062 12.087 1.00 0.00 N ATOM 163 NH2 ARG A 10 -36.188 -4.112 14.119 1.00 0.00 N ATOM 0 H ARG A 10 -40.843 1.155 12.511 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.548 -0.944 13.134 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.787 -0.383 13.277 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.240 -0.768 14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.610 -2.972 14.439 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.478 -2.598 12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.633 -3.460 11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.921 -1.889 12.222 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.639 -3.765 14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -37.231 -2.616 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -35.600 -3.156 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -36.530 -4.464 15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -35.201 -4.207 13.878 1.00 0.00 H new ATOM 177 N LYS A 11 -42.357 1.365 15.400 1.00 0.00 N ATOM 178 CA LYS A 11 -42.892 1.838 16.667 1.00 0.00 C ATOM 179 C LYS A 11 -43.729 3.095 16.424 1.00 0.00 C ATOM 180 O LYS A 11 -43.688 4.035 17.217 1.00 0.00 O ATOM 181 CB LYS A 11 -41.768 2.034 17.685 1.00 0.00 C ATOM 182 CG LYS A 11 -40.832 3.165 17.255 1.00 0.00 C ATOM 183 CD LYS A 11 -40.115 3.772 18.464 1.00 0.00 C ATOM 184 CE LYS A 11 -40.127 5.301 18.398 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.445 5.876 19.578 1.00 0.00 N ATOM 0 H LYS A 11 -41.858 2.070 14.858 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.556 1.091 17.102 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -42.193 2.261 18.663 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.202 1.108 17.790 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -40.098 2.784 16.545 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -41.402 3.938 16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.599 3.440 19.383 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -39.086 3.414 18.499 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.632 5.635 17.486 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -41.155 5.661 18.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -39.462 6.914 19.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -39.934 5.572 20.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -38.459 5.547 19.603 1.00 0.00 H new ATOM 199 N THR A 12 -44.469 3.071 15.325 1.00 0.00 N ATOM 200 CA THR A 12 -45.314 4.199 14.967 1.00 0.00 C ATOM 201 C THR A 12 -44.473 5.328 14.368 1.00 0.00 C ATOM 202 O THR A 12 -43.538 5.813 15.003 1.00 0.00 O ATOM 203 CB THR A 12 -46.095 4.618 16.215 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.491 3.385 16.808 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.416 5.310 15.874 1.00 0.00 C ATOM 0 H THR A 12 -44.501 2.289 14.671 1.00 0.00 H new ATOM 0 HA THR A 12 -46.031 3.926 14.193 1.00 0.00 H new ATOM 0 HB THR A 12 -45.481 5.286 16.820 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.002 3.564 17.625 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.930 5.586 16.795 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.216 6.206 15.287 1.00 0.00 H new ATOM 0 HG23 THR A 12 -48.044 4.631 15.297 1.00 0.00 H new ATOM 213 N VAL A 13 -44.836 5.712 13.154 1.00 0.00 N ATOM 214 CA VAL A 13 -44.125 6.775 12.462 1.00 0.00 C ATOM 215 C VAL A 13 -44.839 8.105 12.711 1.00 0.00 C ATOM 216 O VAL A 13 -45.798 8.165 13.480 1.00 0.00 O ATOM 217 CB VAL A 13 -43.994 6.436 10.976 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.215 6.925 10.192 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.702 7.010 10.394 1.00 0.00 C ATOM 0 H VAL A 13 -45.613 5.307 12.631 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.111 6.872 12.850 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.949 5.351 10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.096 6.671 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.113 6.446 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.306 8.006 10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.634 6.754 9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.703 8.094 10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.847 6.591 10.924 1.00 0.00 H new ATOM 229 N LYS A 14 -44.346 9.139 12.046 1.00 0.00 N ATOM 230 CA LYS A 14 -44.924 10.464 12.185 1.00 0.00 C ATOM 231 C LYS A 14 -45.155 11.064 10.796 1.00 0.00 C ATOM 232 O LYS A 14 -44.209 11.255 10.033 1.00 0.00 O ATOM 233 CB LYS A 14 -44.056 11.335 13.093 1.00 0.00 C ATOM 234 CG LYS A 14 -44.680 12.719 13.288 1.00 0.00 C ATOM 235 CD LYS A 14 -43.858 13.558 14.269 1.00 0.00 C ATOM 236 CE LYS A 14 -44.561 14.881 14.580 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.806 16.017 14.007 1.00 0.00 N ATOM 0 H LYS A 14 -43.552 9.086 11.409 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.897 10.405 12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.933 10.848 14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.061 11.439 12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.742 13.232 12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.699 12.613 13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.704 12.998 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -42.873 13.756 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.572 14.867 14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.653 15.006 15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.297 16.907 14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -42.850 16.039 14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.740 15.905 12.975 1.00 0.00 H new ATOM 251 N CYS A 15 -46.419 11.344 10.510 1.00 0.00 N ATOM 252 CA CYS A 15 -46.785 11.918 9.227 1.00 0.00 C ATOM 253 C CYS A 15 -46.527 13.425 9.284 1.00 0.00 C ATOM 254 O CYS A 15 -47.198 14.146 10.021 1.00 0.00 O ATOM 255 CB CYS A 15 -48.235 11.601 8.859 1.00 0.00 C ATOM 256 SG CYS A 15 -48.556 12.063 7.118 1.00 0.00 S ATOM 0 H CYS A 15 -47.201 11.184 11.145 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.174 11.475 8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.431 10.539 9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.913 12.143 9.518 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.579 11.395 6.673 1.00 0.00 H new ATOM 261 N PHE A 16 -45.555 13.857 8.494 1.00 0.00 N ATOM 262 CA PHE A 16 -45.201 15.265 8.445 1.00 0.00 C ATOM 263 C PHE A 16 -46.118 16.029 7.487 1.00 0.00 C ATOM 264 O PHE A 16 -45.869 17.193 7.179 1.00 0.00 O ATOM 265 CB PHE A 16 -43.763 15.348 7.930 1.00 0.00 C ATOM 266 CG PHE A 16 -43.654 15.581 6.422 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.334 14.779 5.559 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.878 16.590 5.944 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.234 14.996 4.160 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.777 16.807 4.544 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.457 16.006 3.681 1.00 0.00 C ATOM 0 H PHE A 16 -45.002 13.257 7.883 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.305 15.708 9.435 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.248 16.156 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.244 14.424 8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.950 13.977 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.338 17.227 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.775 14.360 3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.160 17.608 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.381 16.171 2.616 1.00 0.00 H new ATOM 281 N ASN A 17 -47.159 15.340 7.042 1.00 0.00 N ATOM 282 CA ASN A 17 -48.114 15.939 6.125 1.00 0.00 C ATOM 283 C ASN A 17 -49.407 16.258 6.878 1.00 0.00 C ATOM 284 O ASN A 17 -49.856 17.403 6.891 1.00 0.00 O ATOM 285 CB ASN A 17 -48.456 14.981 4.982 1.00 0.00 C ATOM 286 CG ASN A 17 -49.808 15.330 4.359 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.108 16.476 4.066 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.606 14.282 4.173 1.00 0.00 N ATOM 0 H ASN A 17 -47.362 14.374 7.299 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.665 16.844 5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.678 15.026 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.477 13.957 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.531 14.412 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.293 13.349 4.441 1.00 0.00 H new ATOM 295 N CYS A 18 -49.970 15.225 7.487 1.00 0.00 N ATOM 296 CA CYS A 18 -51.202 15.380 8.241 1.00 0.00 C ATOM 297 C CYS A 18 -50.841 15.646 9.703 1.00 0.00 C ATOM 298 O CYS A 18 -51.573 16.334 10.412 1.00 0.00 O ATOM 299 CB CYS A 18 -52.115 14.160 8.091 1.00 0.00 C ATOM 300 SG CYS A 18 -51.379 12.720 8.946 1.00 0.00 S ATOM 0 H CYS A 18 -49.595 14.276 7.474 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.767 16.225 7.848 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.098 14.378 8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.260 13.932 7.035 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.371 12.275 8.257 1.00 0.00 H new ATOM 305 N GLY A 19 -49.712 15.085 10.111 1.00 0.00 N ATOM 306 CA GLY A 19 -49.244 15.253 11.477 1.00 0.00 C ATOM 307 C GLY A 19 -49.465 13.977 12.293 1.00 0.00 C ATOM 308 O GLY A 19 -48.639 13.623 13.134 1.00 0.00 O ATOM 0 H GLY A 19 -49.108 14.514 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.184 15.508 11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.770 16.085 11.946 1.00 0.00 H new ATOM 312 N LYS A 20 -50.582 13.322 12.016 1.00 0.00 N ATOM 313 CA LYS A 20 -50.922 12.093 12.713 1.00 0.00 C ATOM 314 C LYS A 20 -49.701 11.173 12.739 1.00 0.00 C ATOM 315 O LYS A 20 -48.688 11.460 12.102 1.00 0.00 O ATOM 316 CB LYS A 20 -52.164 11.450 12.093 1.00 0.00 C ATOM 317 CG LYS A 20 -53.088 10.886 13.174 1.00 0.00 C ATOM 318 CD LYS A 20 -54.474 11.528 13.100 1.00 0.00 C ATOM 319 CE LYS A 20 -55.392 10.744 12.160 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.294 11.271 10.782 1.00 0.00 N ATOM 0 H LYS A 20 -51.264 13.619 11.318 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.186 12.304 13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.702 12.189 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.864 10.652 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.177 9.806 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.653 11.063 14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.915 11.566 14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.384 12.557 12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.119 9.689 12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -56.422 10.811 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.923 10.728 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.576 12.272 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -54.314 11.184 10.446 1.00 0.00 H new ATOM 334 N GLU A 21 -49.835 10.083 13.482 1.00 0.00 N ATOM 335 CA GLU A 21 -48.756 9.119 13.599 1.00 0.00 C ATOM 336 C GLU A 21 -49.235 7.731 13.169 1.00 0.00 C ATOM 337 O GLU A 21 -50.436 7.499 13.035 1.00 0.00 O ATOM 338 CB GLU A 21 -48.198 9.090 15.023 1.00 0.00 C ATOM 339 CG GLU A 21 -49.251 8.589 16.014 1.00 0.00 C ATOM 340 CD GLU A 21 -49.322 9.496 17.244 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.513 9.262 18.169 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.182 10.402 17.233 1.00 0.00 O ATOM 0 H GLU A 21 -50.676 9.847 14.009 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.948 9.425 12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.321 8.444 15.061 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.870 10.089 15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.226 8.553 15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.011 7.571 16.322 1.00 0.00 H new ATOM 349 N GLY A 22 -48.272 6.843 12.966 1.00 0.00 N ATOM 350 CA GLY A 22 -48.581 5.484 12.554 1.00 0.00 C ATOM 351 C GLY A 22 -48.239 5.268 11.079 1.00 0.00 C ATOM 352 O GLY A 22 -47.949 4.147 10.664 1.00 0.00 O ATOM 0 H GLY A 22 -47.277 7.038 13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.022 4.778 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.639 5.282 12.719 1.00 0.00 H new ATOM 356 N HIS A 23 -48.285 6.358 10.327 1.00 0.00 N ATOM 357 CA HIS A 23 -47.984 6.301 8.907 1.00 0.00 C ATOM 358 C HIS A 23 -47.297 7.598 8.476 1.00 0.00 C ATOM 359 O HIS A 23 -47.341 8.596 9.193 1.00 0.00 O ATOM 360 CB HIS A 23 -49.246 6.000 8.096 1.00 0.00 C ATOM 361 CG HIS A 23 -50.181 7.177 7.956 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.392 7.255 8.621 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.070 8.321 7.222 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.976 8.399 8.295 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.156 9.057 7.426 1.00 0.00 N ATOM 0 H HIS A 23 -48.526 7.286 10.675 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.292 5.482 8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.954 5.660 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.782 5.177 8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.240 8.584 6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.933 8.749 8.654 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.346 9.965 7.002 1.00 0.00 H new ATOM 373 N ILE A 24 -46.679 7.541 7.305 1.00 0.00 N ATOM 374 CA ILE A 24 -45.984 8.699 6.770 1.00 0.00 C ATOM 375 C ILE A 24 -46.775 9.264 5.589 1.00 0.00 C ATOM 376 O ILE A 24 -47.618 8.574 5.015 1.00 0.00 O ATOM 377 CB ILE A 24 -44.536 8.343 6.425 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.479 7.206 5.403 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.735 8.019 7.687 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.068 7.050 4.832 1.00 0.00 C ATOM 0 H ILE A 24 -46.645 6.711 6.712 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.925 9.487 7.521 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.071 9.214 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.789 6.273 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.182 7.404 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.710 7.770 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.733 8.885 8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.190 7.171 8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.056 6.235 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.770 7.976 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.371 6.828 5.640 1.00 0.00 H new ATOM 392 N ALA A 25 -46.479 10.513 5.261 1.00 0.00 N ATOM 393 CA ALA A 25 -47.154 11.176 4.158 1.00 0.00 C ATOM 394 C ALA A 25 -47.044 10.310 2.902 1.00 0.00 C ATOM 395 O ALA A 25 -47.976 10.251 2.101 1.00 0.00 O ATOM 396 CB ALA A 25 -46.555 12.571 3.959 1.00 0.00 C ATOM 0 H ALA A 25 -45.781 11.083 5.739 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.214 11.303 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.060 13.069 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.685 13.156 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.492 12.482 3.734 1.00 0.00 H new ATOM 402 N LYS A 26 -45.897 9.659 2.769 1.00 0.00 N ATOM 403 CA LYS A 26 -45.653 8.799 1.623 1.00 0.00 C ATOM 404 C LYS A 26 -46.916 7.991 1.321 1.00 0.00 C ATOM 405 O LYS A 26 -47.159 7.617 0.175 1.00 0.00 O ATOM 406 CB LYS A 26 -44.411 7.936 1.857 1.00 0.00 C ATOM 407 CG LYS A 26 -44.679 6.478 1.480 1.00 0.00 C ATOM 408 CD LYS A 26 -43.371 5.736 1.196 1.00 0.00 C ATOM 409 CE LYS A 26 -42.533 6.481 0.156 1.00 0.00 C ATOM 410 NZ LYS A 26 -43.398 7.023 -0.916 1.00 0.00 N ATOM 0 H LYS A 26 -45.127 9.710 3.436 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.436 9.395 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.579 8.321 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.114 7.996 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.214 5.982 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.322 6.438 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -42.801 5.630 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.590 4.730 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -41.986 7.293 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.792 5.807 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -42.837 7.155 -1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.175 6.358 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -43.791 7.938 -0.616 1.00 0.00 H new ATOM 424 N ASN A 27 -47.688 7.743 2.370 1.00 0.00 N ATOM 425 CA ASN A 27 -48.919 6.985 2.231 1.00 0.00 C ATOM 426 C ASN A 27 -49.922 7.452 3.288 1.00 0.00 C ATOM 427 O ASN A 27 -50.407 6.651 4.085 1.00 0.00 O ATOM 428 CB ASN A 27 -48.673 5.490 2.442 1.00 0.00 C ATOM 429 CG ASN A 27 -47.380 5.252 3.224 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.242 6.032 4.292 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.561 4.416 2.881 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.484 8.054 3.320 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.303 7.149 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.514 5.052 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.616 4.987 1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.728 3.849 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.709 4.283 3.426 1.00 0.00 H new ATOM 438 N CYS A 28 -50.204 8.747 3.259 1.00 0.00 N ATOM 439 CA CYS A 28 -51.141 9.330 4.204 1.00 0.00 C ATOM 440 C CYS A 28 -52.551 8.877 3.824 1.00 0.00 C ATOM 441 O CYS A 28 -52.842 8.656 2.649 1.00 0.00 O ATOM 442 CB CYS A 28 -51.023 10.856 4.248 1.00 0.00 C ATOM 443 SG CYS A 28 -52.165 11.534 5.507 1.00 0.00 S ATOM 0 H CYS A 28 -49.800 9.408 2.596 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.909 8.984 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.998 11.143 4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.256 11.276 3.269 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.489 11.893 6.558 1.00 0.00 H new ATOM 448 N ARG A 29 -53.392 8.752 4.840 1.00 0.00 N ATOM 449 CA ARG A 29 -54.767 8.329 4.627 1.00 0.00 C ATOM 450 C ARG A 29 -55.732 9.458 4.996 1.00 0.00 C ATOM 451 O ARG A 29 -56.838 9.203 5.470 1.00 0.00 O ATOM 452 CB ARG A 29 -55.097 7.091 5.463 1.00 0.00 C ATOM 453 CG ARG A 29 -55.009 7.400 6.959 1.00 0.00 C ATOM 454 CD ARG A 29 -55.867 6.427 7.770 1.00 0.00 C ATOM 455 NE ARG A 29 -55.609 6.611 9.216 1.00 0.00 N ATOM 456 CZ ARG A 29 -54.595 6.037 9.878 1.00 0.00 C ATOM 457 NH1 ARG A 29 -53.736 5.241 9.228 1.00 0.00 N ATOM 458 NH2 ARG A 29 -54.439 6.261 11.190 1.00 0.00 N ATOM 0 H ARG A 29 -53.148 8.936 5.813 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.879 8.081 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -56.100 6.740 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.407 6.285 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.971 7.336 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.339 8.422 7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.923 6.594 7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.642 5.401 7.479 1.00 0.00 H new ATOM 0 HE ARG A 29 -56.243 7.213 9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -53.854 5.072 8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -52.964 4.804 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -55.092 6.868 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -53.667 5.824 11.694 1.00 0.00 H new ATOM 472 N ALA A 30 -55.279 10.681 4.762 1.00 0.00 N ATOM 473 CA ALA A 30 -56.089 11.848 5.064 1.00 0.00 C ATOM 474 C ALA A 30 -57.548 11.557 4.709 1.00 0.00 C ATOM 475 O ALA A 30 -57.827 10.725 3.847 1.00 0.00 O ATOM 476 CB ALA A 30 -55.537 13.061 4.311 1.00 0.00 C ATOM 0 H ALA A 30 -54.362 10.889 4.367 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.048 12.078 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.145 13.937 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.508 13.244 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -55.565 12.867 3.239 1.00 0.00 H new ATOM 482 N PRO A 31 -58.465 12.278 5.409 1.00 0.00 N ATOM 483 CA PRO A 31 -59.889 12.105 5.176 1.00 0.00 C ATOM 484 C PRO A 31 -60.316 12.771 3.866 1.00 0.00 C ATOM 485 O PRO A 31 -61.490 12.738 3.503 1.00 0.00 O ATOM 486 CB PRO A 31 -60.563 12.710 6.397 1.00 0.00 C ATOM 487 CG PRO A 31 -59.523 13.610 7.045 1.00 0.00 C ATOM 488 CD PRO A 31 -58.172 13.272 6.437 1.00 0.00 C ATOM 0 HA PRO A 31 -60.172 11.059 5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.449 13.278 6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.891 11.933 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -59.767 14.659 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.505 13.458 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -57.698 14.156 6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.488 12.875 7.188 1.00 0.00 H new ATOM 496 N ARG A 32 -59.337 13.358 3.192 1.00 0.00 N ATOM 497 CA ARG A 32 -59.597 14.030 1.930 1.00 0.00 C ATOM 498 C ARG A 32 -60.383 15.321 2.169 1.00 0.00 C ATOM 499 O ARG A 32 -61.489 15.288 2.707 1.00 0.00 O ATOM 500 CB ARG A 32 -60.385 13.128 0.978 1.00 0.00 C ATOM 501 CG ARG A 32 -59.534 12.729 -0.229 1.00 0.00 C ATOM 502 CD ARG A 32 -60.382 12.021 -1.287 1.00 0.00 C ATOM 503 NE ARG A 32 -59.811 10.689 -1.586 1.00 0.00 N ATOM 504 CZ ARG A 32 -60.513 9.668 -2.097 1.00 0.00 C ATOM 505 NH1 ARG A 32 -61.816 9.820 -2.368 1.00 0.00 N ATOM 506 NH2 ARG A 32 -59.911 8.494 -2.336 1.00 0.00 N ATOM 0 H ARG A 32 -58.364 13.382 3.496 1.00 0.00 H new ATOM 0 HA ARG A 32 -58.635 14.266 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -60.714 12.234 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -61.282 13.646 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -59.072 13.616 -0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -58.725 12.073 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -61.407 11.915 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -60.420 12.622 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 32 -58.821 10.538 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -62.274 10.713 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -62.350 9.043 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -58.919 8.378 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -60.445 7.717 -2.725 1.00 0.00 H new ATOM 520 N LYS A 33 -59.782 16.426 1.756 1.00 0.00 N ATOM 521 CA LYS A 33 -60.412 17.726 1.917 1.00 0.00 C ATOM 522 C LYS A 33 -59.443 18.818 1.460 1.00 0.00 C ATOM 523 O LYS A 33 -58.901 19.555 2.282 1.00 0.00 O ATOM 524 CB LYS A 33 -60.909 17.906 3.353 1.00 0.00 C ATOM 525 CG LYS A 33 -62.381 18.320 3.376 1.00 0.00 C ATOM 526 CD LYS A 33 -63.282 17.169 2.928 1.00 0.00 C ATOM 527 CE LYS A 33 -64.738 17.625 2.810 1.00 0.00 C ATOM 528 NZ LYS A 33 -65.311 17.875 4.152 1.00 0.00 N ATOM 0 H LYS A 33 -58.865 16.449 1.310 1.00 0.00 H new ATOM 0 HA LYS A 33 -61.297 17.801 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.781 16.975 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.307 18.662 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -62.659 18.633 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -62.531 19.179 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -62.938 16.786 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -63.211 16.348 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -64.794 18.533 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -65.323 16.864 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -66.322 18.101 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -65.198 17.026 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -64.816 18.674 4.597 1.00 0.00 H new ATOM 542 N LYS A 34 -59.256 18.888 0.150 1.00 0.00 N ATOM 543 CA LYS A 34 -58.362 19.877 -0.426 1.00 0.00 C ATOM 544 C LYS A 34 -58.497 21.192 0.345 1.00 0.00 C ATOM 545 O LYS A 34 -59.555 21.820 0.327 1.00 0.00 O ATOM 546 CB LYS A 34 -58.615 20.017 -1.928 1.00 0.00 C ATOM 547 CG LYS A 34 -57.621 19.178 -2.733 1.00 0.00 C ATOM 548 CD LYS A 34 -58.264 18.644 -4.015 1.00 0.00 C ATOM 549 CE LYS A 34 -57.275 18.682 -5.181 1.00 0.00 C ATOM 550 NZ LYS A 34 -57.419 19.944 -5.941 1.00 0.00 N ATOM 0 H LYS A 34 -59.709 18.276 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 34 -57.325 19.555 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.633 19.703 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -58.531 21.064 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.749 19.782 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -57.267 18.345 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -58.605 17.621 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -59.144 19.239 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -56.256 18.591 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -57.448 17.832 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -56.740 19.954 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -58.386 20.015 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -57.231 20.751 -5.312 1.00 0.00 H new ATOM 564 N GLY A 35 -57.412 21.568 1.005 1.00 0.00 N ATOM 565 CA GLY A 35 -57.397 22.796 1.782 1.00 0.00 C ATOM 566 C GLY A 35 -55.968 23.186 2.163 1.00 0.00 C ATOM 567 O GLY A 35 -55.053 22.367 2.078 1.00 0.00 O ATOM 0 H GLY A 35 -56.537 21.044 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.856 23.600 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.995 22.667 2.684 1.00 0.00 H new ATOM 571 N CYS A 36 -55.819 24.437 2.573 1.00 0.00 N ATOM 572 CA CYS A 36 -54.516 24.946 2.967 1.00 0.00 C ATOM 573 C CYS A 36 -54.155 24.344 4.326 1.00 0.00 C ATOM 574 O CYS A 36 -54.741 24.706 5.344 1.00 0.00 O ATOM 575 CB CYS A 36 -54.491 26.475 2.996 1.00 0.00 C ATOM 576 SG CYS A 36 -52.788 27.068 3.308 1.00 0.00 S ATOM 0 H CYS A 36 -56.579 25.114 2.641 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.770 24.650 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.855 26.871 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.161 26.843 3.773 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.778 27.822 4.367 1.00 0.00 H new ATOM 581 N TRP A 37 -53.193 23.433 4.297 1.00 0.00 N ATOM 582 CA TRP A 37 -52.748 22.775 5.514 1.00 0.00 C ATOM 583 C TRP A 37 -51.600 23.599 6.103 1.00 0.00 C ATOM 584 O TRP A 37 -50.834 23.102 6.926 1.00 0.00 O ATOM 585 CB TRP A 37 -52.361 21.321 5.242 1.00 0.00 C ATOM 586 CG TRP A 37 -50.864 21.038 5.378 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.266 20.092 6.115 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.792 21.752 4.726 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.893 20.143 5.986 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.595 21.185 5.114 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.833 22.840 3.836 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.350 21.637 4.663 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.579 23.281 3.395 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.366 22.721 3.777 1.00 0.00 C ATOM 0 H TRP A 37 -52.709 23.135 3.450 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.555 22.729 6.245 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.906 20.676 5.931 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.681 21.053 4.235 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.792 19.379 6.732 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.220 19.529 6.446 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.758 23.299 3.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.427 21.175 4.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.553 24.115 2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.439 23.120 3.392 1.00 0.00 H new ATOM 605 N LYS A 38 -51.519 24.844 5.658 1.00 0.00 N ATOM 606 CA LYS A 38 -50.478 25.742 6.130 1.00 0.00 C ATOM 607 C LYS A 38 -51.107 26.835 6.995 1.00 0.00 C ATOM 608 O LYS A 38 -50.497 27.298 7.958 1.00 0.00 O ATOM 609 CB LYS A 38 -49.662 26.281 4.954 1.00 0.00 C ATOM 610 CG LYS A 38 -48.710 27.389 5.409 1.00 0.00 C ATOM 611 CD LYS A 38 -49.343 28.769 5.219 1.00 0.00 C ATOM 612 CE LYS A 38 -48.289 29.873 5.318 1.00 0.00 C ATOM 613 NZ LYS A 38 -48.452 30.844 4.211 1.00 0.00 N ATOM 0 H LYS A 38 -52.157 25.253 4.975 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.769 25.205 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.092 25.470 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.334 26.666 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.453 27.244 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.781 27.330 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -49.835 28.817 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -50.113 28.927 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -48.379 30.385 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.291 29.436 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -48.151 31.787 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.869 30.549 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -49.451 30.878 3.923 1.00 0.00 H new ATOM 627 N CYS A 39 -52.320 27.217 6.622 1.00 0.00 N ATOM 628 CA CYS A 39 -53.038 28.246 7.352 1.00 0.00 C ATOM 629 C CYS A 39 -54.289 27.615 7.967 1.00 0.00 C ATOM 630 O CYS A 39 -54.637 27.906 9.110 1.00 0.00 O ATOM 631 CB CYS A 39 -53.381 29.439 6.457 1.00 0.00 C ATOM 632 SG CYS A 39 -54.577 28.930 5.169 1.00 0.00 S ATOM 0 H CYS A 39 -52.823 26.831 5.823 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.405 28.642 8.146 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -53.802 30.246 7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.475 29.827 5.991 1.00 0.00 H new ATOM 0 HG CYS A 39 -53.946 28.704 4.055 1.00 0.00 H new ATOM 637 N GLY A 40 -54.931 26.764 7.181 1.00 0.00 N ATOM 638 CA GLY A 40 -56.136 26.090 7.634 1.00 0.00 C ATOM 639 C GLY A 40 -57.275 26.268 6.629 1.00 0.00 C ATOM 640 O GLY A 40 -58.029 25.331 6.366 1.00 0.00 O ATOM 0 H GLY A 40 -54.640 26.526 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.932 25.028 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.436 26.487 8.604 1.00 0.00 H new ATOM 644 N LYS A 41 -57.365 27.476 6.093 1.00 0.00 N ATOM 645 CA LYS A 41 -58.399 27.788 5.122 1.00 0.00 C ATOM 646 C LYS A 41 -58.385 26.736 4.010 1.00 0.00 C ATOM 647 O LYS A 41 -57.385 26.580 3.312 1.00 0.00 O ATOM 648 CB LYS A 41 -58.241 29.223 4.612 1.00 0.00 C ATOM 649 CG LYS A 41 -59.342 30.127 5.168 1.00 0.00 C ATOM 650 CD LYS A 41 -60.395 30.431 4.099 1.00 0.00 C ATOM 651 CE LYS A 41 -61.777 29.943 4.537 1.00 0.00 C ATOM 652 NZ LYS A 41 -62.804 30.967 4.242 1.00 0.00 N ATOM 0 H LYS A 41 -56.739 28.250 6.313 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.383 27.746 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.265 29.611 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.274 29.231 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.816 29.645 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -58.905 31.058 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.427 31.504 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -60.116 29.950 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.022 29.014 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.770 29.723 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -63.737 30.621 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -62.577 31.844 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -62.821 31.157 3.220 1.00 0.00 H new ATOM 666 N GLU A 42 -59.506 26.041 3.883 1.00 0.00 N ATOM 667 CA GLU A 42 -59.634 25.009 2.869 1.00 0.00 C ATOM 668 C GLU A 42 -60.005 25.631 1.521 1.00 0.00 C ATOM 669 O GLU A 42 -60.238 26.835 1.433 1.00 0.00 O ATOM 670 CB GLU A 42 -60.662 23.955 3.287 1.00 0.00 C ATOM 671 CG GLU A 42 -62.067 24.557 3.358 1.00 0.00 C ATOM 672 CD GLU A 42 -62.420 24.955 4.793 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.039 26.081 5.180 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.064 24.125 5.470 1.00 0.00 O ATOM 0 H GLU A 42 -60.333 26.172 4.465 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.671 24.510 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.652 23.130 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.390 23.542 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.125 25.431 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.795 23.836 2.987 1.00 0.00 H new ATOM 681 N GLY A 43 -60.047 24.781 0.505 1.00 0.00 N ATOM 682 CA GLY A 43 -60.384 25.233 -0.834 1.00 0.00 C ATOM 683 C GLY A 43 -59.142 25.735 -1.573 1.00 0.00 C ATOM 684 O GLY A 43 -59.169 25.913 -2.790 1.00 0.00 O ATOM 0 H GLY A 43 -59.853 23.783 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.839 24.416 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.124 26.031 -0.777 1.00 0.00 H new ATOM 688 N HIS A 44 -58.083 25.949 -0.806 1.00 0.00 N ATOM 689 CA HIS A 44 -56.834 26.428 -1.373 1.00 0.00 C ATOM 690 C HIS A 44 -55.661 25.686 -0.728 1.00 0.00 C ATOM 691 O HIS A 44 -55.860 24.827 0.129 1.00 0.00 O ATOM 692 CB HIS A 44 -56.721 27.948 -1.236 1.00 0.00 C ATOM 693 CG HIS A 44 -56.122 28.404 0.072 1.00 0.00 C ATOM 694 ND1 HIS A 44 -54.873 28.864 0.369 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -56.834 28.415 1.259 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -54.824 29.142 1.665 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -56.039 28.864 2.219 1.00 0.00 N flip ATOM 0 H HIS A 44 -58.064 25.800 0.203 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.811 26.216 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.113 28.332 -2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.713 28.387 -1.342 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -54.106 28.975 -0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -57.863 28.110 1.382 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -53.964 29.525 2.194 1.00 0.00 H new ATOM 705 N GLN A 45 -54.463 26.046 -1.165 1.00 0.00 N ATOM 706 CA GLN A 45 -53.258 25.426 -0.641 1.00 0.00 C ATOM 707 C GLN A 45 -52.223 26.495 -0.285 1.00 0.00 C ATOM 708 O GLN A 45 -52.359 27.653 -0.677 1.00 0.00 O ATOM 709 CB GLN A 45 -52.683 24.417 -1.637 1.00 0.00 C ATOM 710 CG GLN A 45 -52.037 25.129 -2.827 1.00 0.00 C ATOM 711 CD GLN A 45 -50.640 24.570 -3.107 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.806 24.441 -2.226 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.432 24.245 -4.381 1.00 0.00 N ATOM 0 H GLN A 45 -54.301 26.759 -1.876 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.518 24.883 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.944 23.790 -1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.475 23.757 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.664 25.010 -3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.971 26.198 -2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.173 24.378 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.531 23.863 -4.669 1.00 0.00 H new ATOM 722 N MET A 46 -51.209 26.068 0.455 1.00 0.00 N ATOM 723 CA MET A 46 -50.152 26.974 0.868 1.00 0.00 C ATOM 724 C MET A 46 -49.551 27.702 -0.336 1.00 0.00 C ATOM 725 O MET A 46 -49.416 28.926 -0.322 1.00 0.00 O ATOM 726 CB MET A 46 -49.054 26.185 1.587 1.00 0.00 C ATOM 727 CG MET A 46 -47.760 26.996 1.669 1.00 0.00 C ATOM 728 SD MET A 46 -46.562 26.134 2.673 1.00 0.00 S ATOM 729 CE MET A 46 -45.733 25.177 1.415 1.00 0.00 C ATOM 0 H MET A 46 -51.098 25.107 0.778 1.00 0.00 H new ATOM 0 HA MET A 46 -50.580 27.717 1.542 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.388 25.923 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.868 25.250 1.059 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.359 27.158 0.669 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.963 27.979 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.948 24.575 1.874 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.452 24.522 0.923 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.292 25.849 0.679 1.00 0.00 H new ATOM 739 N LYS A 47 -49.208 26.921 -1.348 1.00 0.00 N ATOM 740 CA LYS A 47 -48.624 27.476 -2.558 1.00 0.00 C ATOM 741 C LYS A 47 -49.562 28.544 -3.126 1.00 0.00 C ATOM 742 O LYS A 47 -49.147 29.372 -3.937 1.00 0.00 O ATOM 743 CB LYS A 47 -48.287 26.363 -3.551 1.00 0.00 C ATOM 744 CG LYS A 47 -47.123 26.768 -4.456 1.00 0.00 C ATOM 745 CD LYS A 47 -45.780 26.448 -3.797 1.00 0.00 C ATOM 746 CE LYS A 47 -45.234 25.106 -4.290 1.00 0.00 C ATOM 747 NZ LYS A 47 -46.125 24.000 -3.873 1.00 0.00 N ATOM 0 H LYS A 47 -49.323 25.908 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.677 27.967 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.031 25.453 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.163 26.136 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.199 26.244 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.181 27.835 -4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.064 27.240 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.900 26.420 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.145 25.120 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.233 24.945 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -45.690 23.090 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -46.270 24.040 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -47.042 24.092 -4.356 1.00 0.00 H new ATOM 761 N ASP A 48 -50.808 28.491 -2.680 1.00 0.00 N ATOM 762 CA ASP A 48 -51.808 29.443 -3.134 1.00 0.00 C ATOM 763 C ASP A 48 -52.459 30.110 -1.921 1.00 0.00 C ATOM 764 O ASP A 48 -53.651 30.412 -1.940 1.00 0.00 O ATOM 765 CB ASP A 48 -52.907 28.746 -3.938 1.00 0.00 C ATOM 766 CG ASP A 48 -52.416 27.937 -5.140 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.190 27.971 -5.384 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.276 27.302 -5.786 1.00 0.00 O ATOM 0 H ASP A 48 -51.149 27.803 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.311 30.179 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.457 28.081 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.612 29.499 -4.290 1.00 0.00 H new ATOM 773 N CYS A 49 -51.647 30.319 -0.894 1.00 0.00 N ATOM 774 CA CYS A 49 -52.130 30.945 0.326 1.00 0.00 C ATOM 775 C CYS A 49 -52.342 32.434 0.050 1.00 0.00 C ATOM 776 O CYS A 49 -51.620 33.031 -0.747 1.00 0.00 O ATOM 777 CB CYS A 49 -51.175 30.711 1.498 1.00 0.00 C ATOM 778 SG CYS A 49 -51.993 31.162 3.071 1.00 0.00 S ATOM 0 H CYS A 49 -50.659 30.066 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.077 30.493 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.868 29.665 1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.271 31.305 1.365 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.419 30.534 4.054 1.00 0.00 H new ATOM 783 N THR A 50 -53.336 32.993 0.725 1.00 0.00 N ATOM 784 CA THR A 50 -53.653 34.401 0.562 1.00 0.00 C ATOM 785 C THR A 50 -53.717 35.094 1.926 1.00 0.00 C ATOM 786 O THR A 50 -54.354 36.137 2.067 1.00 0.00 O ATOM 787 CB THR A 50 -54.954 34.505 -0.234 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.205 35.906 -0.306 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.156 33.950 0.532 1.00 0.00 C ATOM 0 H THR A 50 -53.932 32.496 1.386 1.00 0.00 H new ATOM 0 HA THR A 50 -52.873 34.920 0.004 1.00 0.00 H new ATOM 0 HB THR A 50 -54.846 33.969 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 50 -55.299 36.268 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.054 34.048 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.987 32.898 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.285 34.508 1.460 1.00 0.00 H new ATOM 797 N GLU A 51 -53.051 34.485 2.896 1.00 0.00 N ATOM 798 CA GLU A 51 -53.025 35.029 4.243 1.00 0.00 C ATOM 799 C GLU A 51 -52.014 36.174 4.333 1.00 0.00 C ATOM 800 O GLU A 51 -52.376 37.302 4.664 1.00 0.00 O ATOM 801 CB GLU A 51 -52.712 33.939 5.269 1.00 0.00 C ATOM 802 CG GLU A 51 -52.664 34.516 6.685 1.00 0.00 C ATOM 803 CD GLU A 51 -51.244 34.454 7.255 1.00 0.00 C ATOM 804 OE1 GLU A 51 -50.331 34.946 6.557 1.00 0.00 O ATOM 805 OE2 GLU A 51 -51.106 33.915 8.374 1.00 0.00 O ATOM 0 H GLU A 51 -52.525 33.619 2.776 1.00 0.00 H new ATOM 0 HA GLU A 51 -54.014 35.425 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.470 33.157 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -51.756 33.473 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -53.010 35.550 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -53.344 33.960 7.331 1.00 0.00 H new