USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 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 46 MET CE :methyl -154:sc= -0.107 (180deg=-0.558) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 177:sc= 1.37 (180deg=1.32) USER MOD Set 2.1: A 36 CYS SG : rot -141:sc= -2.15 USER MOD Set 2.2: A 39 CYS SG : rot -41:sc= -2.87! USER MOD Set 2.3: A 44 HIS :FLIP no HE2:sc= -3.15! C(o=-11!,f=-8.4!) USER MOD Set 2.4: A 49 CYS SG : rot -122:sc= -0.243 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -147:sc= -0.0495 (180deg=0) USER MOD Set 3.2: A 45 GLN : amide:sc= -5.41! C(o=-5.5!,f=-12!) USER MOD Set 4.1: A 26 LYS NZ :NH3+ 167:sc= 0.81 (180deg=-0.22) USER MOD Set 4.2: A 27 ASN : amide:sc= -5.97! C(o=-5.2!,f=-16!) USER MOD Set 5.1: A 15 CYS SG : rot 125:sc= -0.858 USER MOD Set 5.2: A 18 CYS SG : rot -166:sc= -0.382 USER MOD Set 5.3: A 23 HIS : no HD1:sc= -3.25! C(o=-4.7!,f=-11!) USER MOD Set 5.4: A 28 CYS SG : rot 118:sc= -0.244 USER MOD Single : A 2 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.11) USER MOD Single : A 9 GLN : amide:sc= -6.24! C(o=-6.2!,f=-9.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -33.105 12.008 7.186 1.00 0.00 N ATOM 19 CA GLN A 2 -32.678 11.152 6.094 1.00 0.00 C ATOM 20 C GLN A 2 -33.744 10.093 5.803 1.00 0.00 C ATOM 21 O GLN A 2 -34.707 9.952 6.554 1.00 0.00 O ATOM 22 CB GLN A 2 -31.329 10.501 6.402 1.00 0.00 C ATOM 23 CG GLN A 2 -30.222 11.554 6.496 1.00 0.00 C ATOM 24 CD GLN A 2 -29.047 11.196 5.583 1.00 0.00 C ATOM 25 OE1 GLN A 2 -29.166 11.130 4.370 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.908 10.970 6.231 1.00 0.00 N ATOM 0 HA GLN A 2 -32.551 11.768 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.393 9.950 7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -31.084 9.778 5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -30.619 12.530 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.876 11.632 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -27.877 11.042 7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.065 10.725 5.711 1.00 0.00 H new ATOM 35 N LYS A 3 -33.534 9.373 4.710 1.00 0.00 N ATOM 36 CA LYS A 3 -34.464 8.331 4.311 1.00 0.00 C ATOM 37 C LYS A 3 -34.562 7.285 5.424 1.00 0.00 C ATOM 38 O LYS A 3 -35.652 6.821 5.750 1.00 0.00 O ATOM 39 CB LYS A 3 -34.065 7.748 2.953 1.00 0.00 C ATOM 40 CG LYS A 3 -34.264 8.774 1.836 1.00 0.00 C ATOM 41 CD LYS A 3 -32.960 9.008 1.068 1.00 0.00 C ATOM 42 CE LYS A 3 -32.279 10.299 1.527 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.368 10.805 0.476 1.00 0.00 N ATOM 0 H LYS A 3 -32.734 9.491 4.089 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.463 8.745 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -33.022 7.433 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.661 6.859 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -35.037 8.426 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -34.615 9.715 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.288 8.164 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -33.168 9.062 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.032 11.052 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.720 10.116 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.914 11.682 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -30.639 10.091 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.910 10.998 -0.390 1.00 0.00 H new ATOM 57 N GLY A 4 -33.405 6.946 5.975 1.00 0.00 N ATOM 58 CA GLY A 4 -33.347 5.964 7.045 1.00 0.00 C ATOM 59 C GLY A 4 -34.189 6.408 8.242 1.00 0.00 C ATOM 60 O GLY A 4 -34.583 5.584 9.067 1.00 0.00 O ATOM 0 H GLY A 4 -32.502 7.333 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.706 5.002 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.312 5.821 7.357 1.00 0.00 H new ATOM 64 N ASN A 5 -34.441 7.707 8.301 1.00 0.00 N ATOM 65 CA ASN A 5 -35.230 8.270 9.383 1.00 0.00 C ATOM 66 C ASN A 5 -36.606 7.602 9.405 1.00 0.00 C ATOM 67 O ASN A 5 -37.169 7.369 10.473 1.00 0.00 O ATOM 68 CB ASN A 5 -35.437 9.773 9.190 1.00 0.00 C ATOM 69 CG ASN A 5 -35.725 10.462 10.526 1.00 0.00 C ATOM 70 OD1 ASN A 5 -36.855 10.780 10.858 1.00 0.00 O ATOM 71 ND2 ASN A 5 -34.643 10.674 11.270 1.00 0.00 N ATOM 0 H ASN A 5 -34.112 8.387 7.616 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.694 8.097 10.316 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.549 10.211 8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -36.265 9.945 8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -34.730 11.128 12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.726 10.382 10.931 1.00 0.00 H new ATOM 78 N PHE A 6 -37.108 7.313 8.213 1.00 0.00 N ATOM 79 CA PHE A 6 -38.408 6.677 8.084 1.00 0.00 C ATOM 80 C PHE A 6 -38.429 5.321 8.791 1.00 0.00 C ATOM 81 O PHE A 6 -39.494 4.748 9.013 1.00 0.00 O ATOM 82 CB PHE A 6 -38.653 6.463 6.588 1.00 0.00 C ATOM 83 CG PHE A 6 -40.024 5.866 6.262 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.021 5.907 7.185 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.245 5.294 5.047 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.294 5.354 6.882 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.516 4.740 4.745 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.514 4.782 5.668 1.00 0.00 C ATOM 0 H PHE A 6 -36.638 7.507 7.329 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.176 7.304 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.552 7.419 6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.878 5.805 6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.845 6.360 8.149 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.453 5.262 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.086 5.388 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.691 4.285 3.781 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.481 4.361 5.437 1.00 0.00 H new ATOM 98 N ARG A 7 -37.237 4.846 9.125 1.00 0.00 N ATOM 99 CA ARG A 7 -37.105 3.568 9.804 1.00 0.00 C ATOM 100 C ARG A 7 -37.880 3.583 11.123 1.00 0.00 C ATOM 101 O ARG A 7 -38.139 2.533 11.707 1.00 0.00 O ATOM 102 CB ARG A 7 -35.637 3.243 10.086 1.00 0.00 C ATOM 103 CG ARG A 7 -34.882 2.942 8.790 1.00 0.00 C ATOM 104 CD ARG A 7 -33.369 3.007 9.009 1.00 0.00 C ATOM 105 NE ARG A 7 -32.679 2.137 8.030 1.00 0.00 N ATOM 106 CZ ARG A 7 -31.377 2.229 7.731 1.00 0.00 C ATOM 107 NH1 ARG A 7 -30.614 3.152 8.334 1.00 0.00 N ATOM 108 NH2 ARG A 7 -30.834 1.398 6.830 1.00 0.00 N ATOM 0 H ARG A 7 -36.355 5.323 8.938 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.516 2.801 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.167 4.083 10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.573 2.385 10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.158 1.953 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.173 3.658 8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.022 4.035 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.126 2.691 10.024 1.00 0.00 H new ATOM 0 HE ARG A 7 -33.230 1.423 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -31.025 3.784 9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -29.622 3.222 8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -31.413 0.694 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -29.842 1.469 6.603 1.00 0.00 H new ATOM 122 N ASN A 8 -38.229 4.787 11.552 1.00 0.00 N ATOM 123 CA ASN A 8 -38.969 4.954 12.792 1.00 0.00 C ATOM 124 C ASN A 8 -40.265 4.144 12.720 1.00 0.00 C ATOM 125 O ASN A 8 -40.882 3.861 13.745 1.00 0.00 O ATOM 126 CB ASN A 8 -39.341 6.420 13.018 1.00 0.00 C ATOM 127 CG ASN A 8 -39.578 6.702 14.504 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.709 7.173 15.218 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.800 6.391 14.925 1.00 0.00 N ATOM 0 H ASN A 8 -38.013 5.656 11.063 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.336 4.612 13.611 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.544 7.063 12.645 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -40.239 6.663 12.450 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -41.058 6.544 15.900 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.480 6.000 14.273 1.00 0.00 H new ATOM 136 N GLN A 9 -40.639 3.793 11.498 1.00 0.00 N ATOM 137 CA GLN A 9 -41.850 3.021 11.278 1.00 0.00 C ATOM 138 C GLN A 9 -41.812 1.728 12.097 1.00 0.00 C ATOM 139 O GLN A 9 -42.855 1.184 12.456 1.00 0.00 O ATOM 140 CB GLN A 9 -42.048 2.722 9.792 1.00 0.00 C ATOM 141 CG GLN A 9 -43.463 2.207 9.519 1.00 0.00 C ATOM 142 CD GLN A 9 -44.122 2.989 8.380 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.574 3.143 7.301 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.324 3.471 8.680 1.00 0.00 N ATOM 0 H GLN A 9 -40.124 4.029 10.650 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.701 3.615 11.612 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.867 3.625 9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.318 1.981 9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -43.425 1.148 9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.067 2.296 10.422 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -45.724 3.305 9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -45.846 4.007 7.987 1.00 0.00 H new ATOM 153 N ARG A 10 -40.597 1.274 12.369 1.00 0.00 N ATOM 154 CA ARG A 10 -40.408 0.056 13.138 1.00 0.00 C ATOM 155 C ARG A 10 -41.118 0.166 14.489 1.00 0.00 C ATOM 156 O ARG A 10 -41.525 -0.843 15.065 1.00 0.00 O ATOM 157 CB ARG A 10 -38.922 -0.223 13.372 1.00 0.00 C ATOM 158 CG ARG A 10 -38.355 -1.130 12.278 1.00 0.00 C ATOM 159 CD ARG A 10 -37.029 -0.585 11.746 1.00 0.00 C ATOM 160 NE ARG A 10 -36.494 -1.485 10.700 1.00 0.00 N ATOM 161 CZ ARG A 10 -35.284 -1.351 10.141 1.00 0.00 C ATOM 162 NH1 ARG A 10 -34.476 -0.354 10.523 1.00 0.00 N ATOM 163 NH2 ARG A 10 -34.882 -2.216 9.199 1.00 0.00 N ATOM 0 H ARG A 10 -39.734 1.728 12.070 1.00 0.00 H new ATOM 0 HA ARG A 10 -40.835 -0.767 12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -38.371 0.717 13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -38.786 -0.693 14.346 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -38.206 -2.134 12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.072 -1.212 11.461 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -37.175 0.415 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -36.311 -0.494 12.561 1.00 0.00 H new ATOM 0 HE ARG A 10 -37.083 -2.256 10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -34.782 0.304 11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -33.555 -0.252 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -35.497 -2.976 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -33.961 -2.114 8.773 1.00 0.00 H new ATOM 177 N LYS A 11 -41.247 1.399 14.956 1.00 0.00 N ATOM 178 CA LYS A 11 -41.901 1.654 16.227 1.00 0.00 C ATOM 179 C LYS A 11 -42.995 2.706 16.031 1.00 0.00 C ATOM 180 O LYS A 11 -43.213 3.548 16.902 1.00 0.00 O ATOM 181 CB LYS A 11 -40.870 2.030 17.294 1.00 0.00 C ATOM 182 CG LYS A 11 -40.867 1.012 18.437 1.00 0.00 C ATOM 183 CD LYS A 11 -40.173 1.581 19.676 1.00 0.00 C ATOM 184 CE LYS A 11 -39.679 0.459 20.591 1.00 0.00 C ATOM 185 NZ LYS A 11 -38.380 -0.066 20.113 1.00 0.00 N ATOM 0 H LYS A 11 -40.909 2.233 14.476 1.00 0.00 H new ATOM 0 HA LYS A 11 -42.389 0.750 16.592 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -39.878 2.080 16.845 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.093 3.022 17.687 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.892 0.735 18.685 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -40.359 0.102 18.117 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -39.332 2.204 19.372 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.864 2.223 20.222 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.574 0.832 21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -40.414 -0.345 20.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -38.059 -0.827 20.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -38.490 -0.441 19.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -37.677 0.700 20.108 1.00 0.00 H new ATOM 199 N THR A 12 -43.652 2.623 14.885 1.00 0.00 N ATOM 200 CA THR A 12 -44.717 3.557 14.564 1.00 0.00 C ATOM 201 C THR A 12 -44.135 4.885 14.077 1.00 0.00 C ATOM 202 O THR A 12 -43.349 5.518 14.781 1.00 0.00 O ATOM 203 CB THR A 12 -45.608 3.701 15.800 1.00 0.00 C ATOM 204 OG1 THR A 12 -45.714 2.373 16.308 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.047 4.080 15.444 1.00 0.00 C ATOM 0 H THR A 12 -43.468 1.923 14.166 1.00 0.00 H new ATOM 0 HA THR A 12 -45.332 3.188 13.743 1.00 0.00 H new ATOM 0 HB THR A 12 -45.188 4.456 16.464 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.274 2.374 17.112 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.636 4.169 16.357 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.052 5.033 14.914 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.479 3.308 14.807 1.00 0.00 H new ATOM 213 N VAL A 13 -44.542 5.269 12.877 1.00 0.00 N ATOM 214 CA VAL A 13 -44.070 6.511 12.288 1.00 0.00 C ATOM 215 C VAL A 13 -45.042 7.638 12.638 1.00 0.00 C ATOM 216 O VAL A 13 -46.008 7.426 13.368 1.00 0.00 O ATOM 217 CB VAL A 13 -43.877 6.334 10.780 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.214 6.425 10.041 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.877 7.355 10.232 1.00 0.00 C ATOM 0 H VAL A 13 -45.194 4.742 12.296 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.097 6.783 12.697 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.467 5.338 10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.048 6.296 8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.883 5.643 10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.665 7.401 10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.758 7.208 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.246 8.363 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.914 7.222 10.725 1.00 0.00 H new ATOM 229 N LYS A 14 -44.752 8.815 12.102 1.00 0.00 N ATOM 230 CA LYS A 14 -45.589 9.977 12.349 1.00 0.00 C ATOM 231 C LYS A 14 -45.821 10.721 11.032 1.00 0.00 C ATOM 232 O LYS A 14 -44.874 11.010 10.302 1.00 0.00 O ATOM 233 CB LYS A 14 -44.983 10.850 13.450 1.00 0.00 C ATOM 234 CG LYS A 14 -45.732 12.177 13.572 1.00 0.00 C ATOM 235 CD LYS A 14 -45.316 12.927 14.840 1.00 0.00 C ATOM 236 CE LYS A 14 -44.960 14.380 14.525 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.835 14.834 15.372 1.00 0.00 N ATOM 0 H LYS A 14 -43.949 8.989 11.498 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.567 9.671 12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -45.019 10.319 14.401 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.932 11.040 13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.530 12.795 12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -46.806 11.992 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -46.127 12.897 15.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.460 12.430 15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -44.692 14.475 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -45.828 15.017 14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -43.606 15.823 15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -44.104 14.762 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.003 14.237 15.193 1.00 0.00 H new ATOM 251 N CYS A 15 -47.087 11.011 10.769 1.00 0.00 N ATOM 252 CA CYS A 15 -47.456 11.716 9.554 1.00 0.00 C ATOM 253 C CYS A 15 -47.318 13.218 9.809 1.00 0.00 C ATOM 254 O CYS A 15 -48.084 13.794 10.580 1.00 0.00 O ATOM 255 CB CYS A 15 -48.866 11.344 9.091 1.00 0.00 C ATOM 256 SG CYS A 15 -49.178 12.033 7.424 1.00 0.00 S ATOM 0 H CYS A 15 -47.870 10.770 11.377 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.788 11.423 8.744 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.978 10.260 9.072 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.603 11.728 9.796 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.538 11.077 6.620 1.00 0.00 H new ATOM 261 N PHE A 16 -46.334 13.810 9.147 1.00 0.00 N ATOM 262 CA PHE A 16 -46.086 15.234 9.293 1.00 0.00 C ATOM 263 C PHE A 16 -46.930 16.042 8.305 1.00 0.00 C ATOM 264 O PHE A 16 -46.671 17.225 8.085 1.00 0.00 O ATOM 265 CB PHE A 16 -44.604 15.463 8.985 1.00 0.00 C ATOM 266 CG PHE A 16 -44.306 15.704 7.504 1.00 0.00 C ATOM 267 CD1 PHE A 16 -45.006 15.032 6.551 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.341 16.591 7.140 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.729 15.255 5.176 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.065 16.815 5.765 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.765 16.141 4.813 1.00 0.00 C ATOM 0 H PHE A 16 -45.700 13.329 8.509 1.00 0.00 H new ATOM 0 HA PHE A 16 -46.348 15.556 10.301 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -44.252 16.320 9.560 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -44.035 14.597 9.323 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -45.773 14.329 6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.785 17.125 7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -45.284 14.721 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.300 17.520 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.554 16.310 3.767 1.00 0.00 H new ATOM 281 N ASN A 17 -47.921 15.372 7.737 1.00 0.00 N ATOM 282 CA ASN A 17 -48.805 16.013 6.778 1.00 0.00 C ATOM 283 C ASN A 17 -50.196 16.168 7.398 1.00 0.00 C ATOM 284 O ASN A 17 -50.785 17.246 7.347 1.00 0.00 O ATOM 285 CB ASN A 17 -48.944 15.170 5.509 1.00 0.00 C ATOM 286 CG ASN A 17 -50.121 15.651 4.658 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.044 16.642 3.949 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.211 14.898 4.766 1.00 0.00 N ATOM 0 H ASN A 17 -48.132 14.391 7.922 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.379 16.983 6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.023 15.226 4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -49.088 14.123 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.050 15.136 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -51.208 14.082 5.378 1.00 0.00 H new ATOM 295 N CYS A 18 -50.680 15.075 7.969 1.00 0.00 N ATOM 296 CA CYS A 18 -51.990 15.077 8.597 1.00 0.00 C ATOM 297 C CYS A 18 -51.794 15.042 10.114 1.00 0.00 C ATOM 298 O CYS A 18 -52.652 15.509 10.864 1.00 0.00 O ATOM 299 CB CYS A 18 -52.854 13.913 8.106 1.00 0.00 C ATOM 300 SG CYS A 18 -52.396 12.377 8.991 1.00 0.00 S ATOM 0 H CYS A 18 -50.189 14.182 8.010 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.528 15.984 8.321 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.908 14.137 8.271 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.721 13.778 7.033 1.00 0.00 H new ATOM 0 HG CYS A 18 -52.901 11.352 8.371 1.00 0.00 H new ATOM 305 N GLY A 19 -50.663 14.486 10.521 1.00 0.00 N ATOM 306 CA GLY A 19 -50.345 14.386 11.935 1.00 0.00 C ATOM 307 C GLY A 19 -50.460 12.940 12.421 1.00 0.00 C ATOM 308 O GLY A 19 -49.566 12.437 13.102 1.00 0.00 O ATOM 0 H GLY A 19 -49.955 14.100 9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -49.334 14.753 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -51.020 15.021 12.509 1.00 0.00 H new ATOM 312 N LYS A 20 -51.566 12.311 12.053 1.00 0.00 N ATOM 313 CA LYS A 20 -51.810 10.934 12.443 1.00 0.00 C ATOM 314 C LYS A 20 -50.496 10.152 12.386 1.00 0.00 C ATOM 315 O LYS A 20 -49.682 10.364 11.487 1.00 0.00 O ATOM 316 CB LYS A 20 -52.925 10.324 11.591 1.00 0.00 C ATOM 317 CG LYS A 20 -53.885 9.500 12.451 1.00 0.00 C ATOM 318 CD LYS A 20 -54.580 8.421 11.619 1.00 0.00 C ATOM 319 CE LYS A 20 -56.054 8.293 12.007 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.913 8.962 11.004 1.00 0.00 N ATOM 0 H LYS A 20 -52.304 12.731 11.488 1.00 0.00 H new ATOM 0 HA LYS A 20 -52.166 10.888 13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -53.475 11.117 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.491 9.692 10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.337 9.035 13.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -54.632 10.156 12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.499 8.665 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.078 7.465 11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -56.326 7.240 12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -56.218 8.737 12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.911 8.866 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.664 9.970 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.769 8.520 10.074 1.00 0.00 H new ATOM 334 N GLU A 21 -50.329 9.265 13.356 1.00 0.00 N ATOM 335 CA GLU A 21 -49.127 8.451 13.427 1.00 0.00 C ATOM 336 C GLU A 21 -49.417 7.032 12.934 1.00 0.00 C ATOM 337 O GLU A 21 -50.567 6.595 12.933 1.00 0.00 O ATOM 338 CB GLU A 21 -48.561 8.433 14.848 1.00 0.00 C ATOM 339 CG GLU A 21 -47.448 9.471 15.008 1.00 0.00 C ATOM 340 CD GLU A 21 -47.440 10.052 16.424 1.00 0.00 C ATOM 341 OE1 GLU A 21 -47.396 9.237 17.371 1.00 0.00 O ATOM 342 OE2 GLU A 21 -47.477 11.296 16.527 1.00 0.00 O ATOM 0 H GLU A 21 -51.006 9.092 14.099 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.373 8.893 12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -49.358 8.636 15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -48.173 7.440 15.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -46.483 9.011 14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -47.586 10.273 14.283 1.00 0.00 H new ATOM 349 N GLY A 22 -48.355 6.352 12.528 1.00 0.00 N ATOM 350 CA GLY A 22 -48.482 4.991 12.033 1.00 0.00 C ATOM 351 C GLY A 22 -48.089 4.906 10.557 1.00 0.00 C ATOM 352 O GLY A 22 -47.577 3.883 10.106 1.00 0.00 O ATOM 0 H GLY A 22 -47.403 6.718 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.849 4.326 12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.509 4.648 12.160 1.00 0.00 H new ATOM 356 N HIS A 23 -48.344 5.994 9.846 1.00 0.00 N ATOM 357 CA HIS A 23 -48.024 6.054 8.430 1.00 0.00 C ATOM 358 C HIS A 23 -47.350 7.391 8.113 1.00 0.00 C ATOM 359 O HIS A 23 -47.168 8.225 9.000 1.00 0.00 O ATOM 360 CB HIS A 23 -49.271 5.803 7.579 1.00 0.00 C ATOM 361 CG HIS A 23 -50.298 6.907 7.654 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.423 6.833 8.456 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.358 8.113 7.019 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.122 7.948 8.302 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.460 8.740 7.411 1.00 0.00 N ATOM 0 H HIS A 23 -48.769 6.841 10.224 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.319 5.262 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.969 5.672 6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.733 4.868 7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.631 8.493 6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.052 8.187 8.795 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.762 9.662 7.097 1.00 0.00 H new ATOM 373 N ILE A 24 -46.997 7.554 6.846 1.00 0.00 N ATOM 374 CA ILE A 24 -46.348 8.774 6.401 1.00 0.00 C ATOM 375 C ILE A 24 -47.243 9.481 5.381 1.00 0.00 C ATOM 376 O ILE A 24 -48.069 8.846 4.728 1.00 0.00 O ATOM 377 CB ILE A 24 -44.942 8.473 5.879 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.978 7.386 4.802 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.997 8.111 7.027 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.582 7.141 4.224 1.00 0.00 C ATOM 0 H ILE A 24 -47.149 6.860 6.114 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.213 9.460 7.237 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.550 9.377 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.367 6.461 5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.659 7.682 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.004 7.902 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.939 8.945 7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.374 7.229 7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.635 6.364 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.206 8.062 3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.909 6.822 5.020 1.00 0.00 H new ATOM 392 N ALA A 25 -47.051 10.788 5.278 1.00 0.00 N ATOM 393 CA ALA A 25 -47.831 11.589 4.349 1.00 0.00 C ATOM 394 C ALA A 25 -47.766 10.956 2.958 1.00 0.00 C ATOM 395 O ALA A 25 -48.752 10.960 2.224 1.00 0.00 O ATOM 396 CB ALA A 25 -47.316 13.030 4.360 1.00 0.00 C ATOM 0 H ALA A 25 -46.366 11.313 5.823 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.878 11.616 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.901 13.631 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.412 13.443 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.268 13.044 4.060 1.00 0.00 H new ATOM 402 N LYS A 26 -46.594 10.428 2.638 1.00 0.00 N ATOM 403 CA LYS A 26 -46.386 9.792 1.347 1.00 0.00 C ATOM 404 C LYS A 26 -47.636 8.992 0.971 1.00 0.00 C ATOM 405 O LYS A 26 -47.953 8.848 -0.208 1.00 0.00 O ATOM 406 CB LYS A 26 -45.103 8.960 1.359 1.00 0.00 C ATOM 407 CG LYS A 26 -45.351 7.562 0.790 1.00 0.00 C ATOM 408 CD LYS A 26 -44.035 6.886 0.400 1.00 0.00 C ATOM 409 CE LYS A 26 -43.974 5.455 0.936 1.00 0.00 C ATOM 410 NZ LYS A 26 -45.124 4.667 0.442 1.00 0.00 N ATOM 0 H LYS A 26 -45.778 10.427 3.250 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.242 10.543 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.333 9.463 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.727 8.880 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.872 6.952 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.001 7.631 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.935 6.876 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.196 7.461 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -43.042 4.983 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -43.976 5.468 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -44.958 3.657 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -45.989 4.971 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -45.235 4.818 -0.581 1.00 0.00 H new ATOM 424 N ASN A 27 -48.311 8.494 1.997 1.00 0.00 N ATOM 425 CA ASN A 27 -49.517 7.712 1.789 1.00 0.00 C ATOM 426 C ASN A 27 -50.466 7.922 2.971 1.00 0.00 C ATOM 427 O ASN A 27 -50.857 6.964 3.636 1.00 0.00 O ATOM 428 CB ASN A 27 -49.198 6.219 1.699 1.00 0.00 C ATOM 429 CG ASN A 27 -47.889 5.894 2.421 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.039 5.172 1.926 1.00 0.00 O ATOM 431 ND2 ASN A 27 -47.775 6.465 3.617 1.00 0.00 N ATOM 0 H ASN A 27 -48.045 8.617 2.974 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.974 8.040 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -50.012 5.642 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -49.124 5.922 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.938 6.309 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -48.525 7.059 3.972 1.00 0.00 H new ATOM 438 N CYS A 28 -50.809 9.182 3.196 1.00 0.00 N ATOM 439 CA CYS A 28 -51.704 9.531 4.288 1.00 0.00 C ATOM 440 C CYS A 28 -53.106 9.028 3.936 1.00 0.00 C ATOM 441 O CYS A 28 -53.471 8.965 2.764 1.00 0.00 O ATOM 442 CB CYS A 28 -51.690 11.033 4.573 1.00 0.00 C ATOM 443 SG CYS A 28 -52.797 11.413 5.980 1.00 0.00 S ATOM 0 H CYS A 28 -50.484 9.974 2.641 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.367 9.052 5.207 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.675 11.359 4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.011 11.583 3.688 1.00 0.00 H new ATOM 0 HG CYS A 28 -52.100 11.911 6.958 1.00 0.00 H new ATOM 448 N ARG A 29 -53.854 8.684 4.975 1.00 0.00 N ATOM 449 CA ARG A 29 -55.208 8.191 4.791 1.00 0.00 C ATOM 450 C ARG A 29 -56.049 9.218 4.030 1.00 0.00 C ATOM 451 O ARG A 29 -57.110 8.888 3.504 1.00 0.00 O ATOM 452 CB ARG A 29 -55.872 7.893 6.136 1.00 0.00 C ATOM 453 CG ARG A 29 -56.112 6.392 6.310 1.00 0.00 C ATOM 454 CD ARG A 29 -57.522 6.005 5.862 1.00 0.00 C ATOM 455 NE ARG A 29 -58.450 6.053 7.013 1.00 0.00 N ATOM 456 CZ ARG A 29 -59.738 5.685 6.957 1.00 0.00 C ATOM 457 NH1 ARG A 29 -60.257 5.241 5.805 1.00 0.00 N ATOM 458 NH2 ARG A 29 -60.504 5.763 8.053 1.00 0.00 N ATOM 0 H ARG A 29 -53.548 8.737 5.946 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.149 7.267 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -55.241 8.260 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -56.820 8.426 6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -55.377 5.833 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.971 6.117 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.863 6.684 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -57.514 5.003 5.433 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.087 6.387 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -59.672 5.183 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -61.237 4.961 5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.107 6.102 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -61.484 5.483 8.011 1.00 0.00 H new ATOM 472 N ALA A 30 -55.543 10.441 3.996 1.00 0.00 N ATOM 473 CA ALA A 30 -56.234 11.519 3.308 1.00 0.00 C ATOM 474 C ALA A 30 -56.838 10.983 2.008 1.00 0.00 C ATOM 475 O ALA A 30 -56.135 10.831 1.011 1.00 0.00 O ATOM 476 CB ALA A 30 -55.263 12.676 3.067 1.00 0.00 C ATOM 0 H ALA A 30 -54.662 10.710 4.434 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.052 11.902 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.781 13.484 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.885 13.039 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.430 12.330 2.455 1.00 0.00 H new ATOM 482 N PRO A 31 -58.167 10.704 2.064 1.00 0.00 N ATOM 483 CA PRO A 31 -58.874 10.189 0.904 1.00 0.00 C ATOM 484 C PRO A 31 -59.113 11.294 -0.127 1.00 0.00 C ATOM 485 O PRO A 31 -60.234 11.471 -0.603 1.00 0.00 O ATOM 486 CB PRO A 31 -60.162 9.602 1.456 1.00 0.00 C ATOM 487 CG PRO A 31 -60.345 10.220 2.834 1.00 0.00 C ATOM 488 CD PRO A 31 -59.031 10.872 3.230 1.00 0.00 C ATOM 0 HA PRO A 31 -58.305 9.430 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.007 9.835 0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.100 8.516 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -61.148 10.957 2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.627 9.457 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.169 11.926 3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.603 10.396 4.112 1.00 0.00 H new ATOM 496 N ARG A 32 -58.043 12.010 -0.441 1.00 0.00 N ATOM 497 CA ARG A 32 -58.123 13.092 -1.406 1.00 0.00 C ATOM 498 C ARG A 32 -58.846 14.295 -0.796 1.00 0.00 C ATOM 499 O ARG A 32 -59.988 14.179 -0.354 1.00 0.00 O ATOM 500 CB ARG A 32 -58.863 12.650 -2.670 1.00 0.00 C ATOM 501 CG ARG A 32 -57.960 12.755 -3.900 1.00 0.00 C ATOM 502 CD ARG A 32 -57.640 11.370 -4.467 1.00 0.00 C ATOM 503 NE ARG A 32 -57.461 11.452 -5.933 1.00 0.00 N ATOM 504 CZ ARG A 32 -57.618 10.416 -6.768 1.00 0.00 C ATOM 505 NH1 ARG A 32 -57.958 9.213 -6.287 1.00 0.00 N ATOM 506 NH2 ARG A 32 -57.435 10.584 -8.085 1.00 0.00 N ATOM 0 H ARG A 32 -57.116 11.861 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 32 -57.104 13.372 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -59.207 11.622 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -59.749 13.268 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -58.449 13.360 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -57.034 13.265 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -56.735 10.979 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -58.446 10.676 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 32 -57.202 12.354 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -58.098 9.085 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -58.077 8.425 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -57.176 11.500 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -57.554 9.796 -8.721 1.00 0.00 H new ATOM 520 N LYS A 33 -58.150 15.423 -0.791 1.00 0.00 N ATOM 521 CA LYS A 33 -58.710 16.646 -0.243 1.00 0.00 C ATOM 522 C LYS A 33 -57.615 17.710 -0.157 1.00 0.00 C ATOM 523 O LYS A 33 -57.737 18.782 -0.747 1.00 0.00 O ATOM 524 CB LYS A 33 -59.401 16.366 1.093 1.00 0.00 C ATOM 525 CG LYS A 33 -60.903 16.651 1.004 1.00 0.00 C ATOM 526 CD LYS A 33 -61.504 16.861 2.395 1.00 0.00 C ATOM 527 CE LYS A 33 -61.994 15.536 2.986 1.00 0.00 C ATOM 528 NZ LYS A 33 -61.461 15.350 4.354 1.00 0.00 N ATOM 0 H LYS A 33 -57.203 15.515 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 33 -59.485 17.039 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -59.241 15.326 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -58.956 16.983 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -61.073 17.537 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -61.406 15.821 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -60.758 17.304 3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -62.334 17.565 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -63.084 15.522 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -61.678 14.709 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -61.803 14.447 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -60.421 15.342 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -61.784 16.130 4.961 1.00 0.00 H new ATOM 542 N LYS A 34 -56.567 17.377 0.584 1.00 0.00 N ATOM 543 CA LYS A 34 -55.451 18.292 0.755 1.00 0.00 C ATOM 544 C LYS A 34 -55.939 19.561 1.455 1.00 0.00 C ATOM 545 O LYS A 34 -56.900 20.189 1.011 1.00 0.00 O ATOM 546 CB LYS A 34 -54.764 18.555 -0.587 1.00 0.00 C ATOM 547 CG LYS A 34 -53.434 17.803 -0.679 1.00 0.00 C ATOM 548 CD LYS A 34 -52.425 18.576 -1.529 1.00 0.00 C ATOM 549 CE LYS A 34 -51.669 17.640 -2.472 1.00 0.00 C ATOM 550 NZ LYS A 34 -50.236 17.583 -2.110 1.00 0.00 N ATOM 0 H LYS A 34 -56.468 16.487 1.072 1.00 0.00 H new ATOM 0 HA LYS A 34 -54.689 17.848 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -55.418 18.245 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -54.590 19.624 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -53.030 17.649 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -53.599 16.816 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -52.943 19.340 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -51.718 19.092 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -52.102 16.641 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -51.777 17.986 -3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -49.666 17.454 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -49.961 18.470 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -50.073 16.785 -1.463 1.00 0.00 H new ATOM 564 N GLY A 35 -55.256 19.901 2.538 1.00 0.00 N ATOM 565 CA GLY A 35 -55.608 21.085 3.304 1.00 0.00 C ATOM 566 C GLY A 35 -54.372 21.940 3.591 1.00 0.00 C ATOM 567 O GLY A 35 -53.484 21.523 4.332 1.00 0.00 O ATOM 0 H GLY A 35 -54.461 19.377 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.342 21.674 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.076 20.789 4.243 1.00 0.00 H new ATOM 571 N CYS A 36 -54.356 23.120 2.989 1.00 0.00 N ATOM 572 CA CYS A 36 -53.244 24.037 3.171 1.00 0.00 C ATOM 573 C CYS A 36 -53.254 24.522 4.622 1.00 0.00 C ATOM 574 O CYS A 36 -54.115 25.309 5.012 1.00 0.00 O ATOM 575 CB CYS A 36 -53.303 25.202 2.180 1.00 0.00 C ATOM 576 SG CYS A 36 -51.833 26.274 2.386 1.00 0.00 S ATOM 0 H CYS A 36 -55.095 23.462 2.375 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.306 23.520 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -53.345 24.821 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.212 25.782 2.341 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.182 27.519 2.255 1.00 0.00 H new ATOM 581 N TRP A 37 -52.284 24.033 5.383 1.00 0.00 N ATOM 582 CA TRP A 37 -52.170 24.407 6.782 1.00 0.00 C ATOM 583 C TRP A 37 -51.244 25.620 6.873 1.00 0.00 C ATOM 584 O TRP A 37 -50.684 25.899 7.933 1.00 0.00 O ATOM 585 CB TRP A 37 -51.693 23.225 7.628 1.00 0.00 C ATOM 586 CG TRP A 37 -50.793 22.243 6.874 1.00 0.00 C ATOM 587 CD1 TRP A 37 -51.038 20.958 6.581 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.488 22.520 6.324 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.991 20.389 5.886 1.00 0.00 N ATOM 590 CE2 TRP A 37 -49.018 21.369 5.725 1.00 0.00 C ATOM 591 CE3 TRP A 37 -48.730 23.703 6.334 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.772 21.289 5.091 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -47.487 23.607 5.697 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.999 22.456 5.089 1.00 0.00 C ATOM 0 H TRP A 37 -51.571 23.381 5.056 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.143 24.682 7.189 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -51.152 23.606 8.494 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.563 22.688 8.006 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.942 20.434 6.855 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -49.940 19.427 5.552 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -49.079 24.614 6.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -47.426 20.376 4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -46.864 24.489 5.677 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.028 22.462 4.617 1.00 0.00 H new ATOM 605 N LYS A 38 -51.112 26.310 5.750 1.00 0.00 N ATOM 606 CA LYS A 38 -50.262 27.487 5.689 1.00 0.00 C ATOM 607 C LYS A 38 -51.138 28.736 5.565 1.00 0.00 C ATOM 608 O LYS A 38 -50.800 29.791 6.099 1.00 0.00 O ATOM 609 CB LYS A 38 -49.229 27.346 4.571 1.00 0.00 C ATOM 610 CG LYS A 38 -48.305 28.564 4.520 1.00 0.00 C ATOM 611 CD LYS A 38 -46.961 28.263 5.189 1.00 0.00 C ATOM 612 CE LYS A 38 -45.818 28.982 4.470 1.00 0.00 C ATOM 613 NZ LYS A 38 -44.863 29.544 5.451 1.00 0.00 N ATOM 0 H LYS A 38 -51.580 26.076 4.874 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.687 27.590 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -48.638 26.444 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -49.738 27.231 3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.141 28.857 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.782 29.408 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -46.992 28.575 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.780 27.188 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -45.302 28.287 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -46.218 29.780 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -44.093 30.029 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -45.356 30.223 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -44.468 28.776 6.030 1.00 0.00 H new ATOM 627 N CYS A 39 -52.245 28.574 4.855 1.00 0.00 N ATOM 628 CA CYS A 39 -53.171 29.675 4.652 1.00 0.00 C ATOM 629 C CYS A 39 -54.441 29.389 5.456 1.00 0.00 C ATOM 630 O CYS A 39 -55.081 30.310 5.962 1.00 0.00 O ATOM 631 CB CYS A 39 -53.471 29.896 3.169 1.00 0.00 C ATOM 632 SG CYS A 39 -54.208 28.384 2.448 1.00 0.00 S ATOM 0 H CYS A 39 -52.521 27.697 4.413 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.720 30.602 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.155 30.737 3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.554 30.152 2.638 1.00 0.00 H new ATOM 0 HG CYS A 39 -53.591 27.337 2.910 1.00 0.00 H new ATOM 637 N GLY A 40 -54.768 28.108 5.548 1.00 0.00 N ATOM 638 CA GLY A 40 -55.950 27.689 6.281 1.00 0.00 C ATOM 639 C GLY A 40 -57.121 27.428 5.332 1.00 0.00 C ATOM 640 O GLY A 40 -58.281 27.567 5.717 1.00 0.00 O ATOM 0 H GLY A 40 -54.235 27.347 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.729 26.785 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.226 28.458 7.002 1.00 0.00 H new ATOM 644 N LYS A 41 -56.776 27.055 4.107 1.00 0.00 N ATOM 645 CA LYS A 41 -57.784 26.773 3.099 1.00 0.00 C ATOM 646 C LYS A 41 -57.655 25.318 2.647 1.00 0.00 C ATOM 647 O LYS A 41 -56.547 24.821 2.451 1.00 0.00 O ATOM 648 CB LYS A 41 -57.692 27.784 1.954 1.00 0.00 C ATOM 649 CG LYS A 41 -58.878 28.751 1.980 1.00 0.00 C ATOM 650 CD LYS A 41 -59.890 28.407 0.886 1.00 0.00 C ATOM 651 CE LYS A 41 -61.247 28.041 1.490 1.00 0.00 C ATOM 652 NZ LYS A 41 -62.238 29.107 1.224 1.00 0.00 N ATOM 0 H LYS A 41 -55.813 26.942 3.791 1.00 0.00 H new ATOM 0 HA LYS A 41 -58.784 26.889 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -56.760 28.344 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -57.668 27.257 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.363 28.711 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -58.522 29.772 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.005 29.256 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.517 27.575 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -61.597 27.098 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.145 27.892 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -63.153 28.842 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.910 29.999 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -62.348 29.230 0.197 1.00 0.00 H new ATOM 666 N GLU A 42 -58.802 24.674 2.495 1.00 0.00 N ATOM 667 CA GLU A 42 -58.831 23.286 2.069 1.00 0.00 C ATOM 668 C GLU A 42 -58.945 23.199 0.545 1.00 0.00 C ATOM 669 O GLU A 42 -59.278 24.184 -0.112 1.00 0.00 O ATOM 670 CB GLU A 42 -59.973 22.527 2.748 1.00 0.00 C ATOM 671 CG GLU A 42 -61.333 23.020 2.248 1.00 0.00 C ATOM 672 CD GLU A 42 -62.364 21.889 2.257 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.050 20.832 1.667 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.440 22.108 2.853 1.00 0.00 O ATOM 0 H GLU A 42 -59.719 25.088 2.660 1.00 0.00 H new ATOM 0 HA GLU A 42 -57.895 22.815 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -59.874 21.460 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -59.910 22.658 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.681 23.839 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.231 23.416 1.238 1.00 0.00 H new ATOM 681 N GLY A 43 -58.663 22.012 0.029 1.00 0.00 N ATOM 682 CA GLY A 43 -58.730 21.785 -1.405 1.00 0.00 C ATOM 683 C GLY A 43 -57.407 22.151 -2.080 1.00 0.00 C ATOM 684 O GLY A 43 -57.340 22.257 -3.304 1.00 0.00 O ATOM 0 H GLY A 43 -58.388 21.197 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -58.965 20.739 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -59.538 22.379 -1.834 1.00 0.00 H new ATOM 688 N HIS A 44 -56.389 22.334 -1.253 1.00 0.00 N ATOM 689 CA HIS A 44 -55.072 22.687 -1.755 1.00 0.00 C ATOM 690 C HIS A 44 -54.064 22.676 -0.605 1.00 0.00 C ATOM 691 O HIS A 44 -54.438 22.486 0.551 1.00 0.00 O ATOM 692 CB HIS A 44 -55.112 24.025 -2.495 1.00 0.00 C ATOM 693 CG HIS A 44 -54.832 25.221 -1.618 1.00 0.00 C ATOM 694 ND1 HIS A 44 -53.693 25.950 -1.443 1.00 0.00 N flip ATOM 695 CD2 HIS A 44 -55.789 25.788 -0.794 1.00 0.00 C flip ATOM 696 CE1 HIS A 44 -53.941 26.912 -0.562 1.00 0.00 C flip ATOM 697 NE2 HIS A 44 -55.240 26.812 -0.158 1.00 0.00 N flip ATOM 0 H HIS A 44 -56.449 22.245 -0.239 1.00 0.00 H new ATOM 0 HA HIS A 44 -54.747 21.945 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -54.383 24.003 -3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -56.093 24.146 -2.954 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -52.801 25.784 -1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -56.810 25.452 -0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -53.231 27.652 -0.222 1.00 0.00 H new ATOM 705 N GLN A 45 -52.804 22.883 -0.962 1.00 0.00 N ATOM 706 CA GLN A 45 -51.739 22.900 0.027 1.00 0.00 C ATOM 707 C GLN A 45 -50.858 24.136 -0.163 1.00 0.00 C ATOM 708 O GLN A 45 -50.950 24.817 -1.184 1.00 0.00 O ATOM 709 CB GLN A 45 -50.907 21.618 -0.042 1.00 0.00 C ATOM 710 CG GLN A 45 -50.349 21.402 -1.450 1.00 0.00 C ATOM 711 CD GLN A 45 -48.844 21.132 -1.407 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.125 21.612 -0.546 1.00 0.00 O ATOM 713 NE2 GLN A 45 -48.408 20.337 -2.380 1.00 0.00 N ATOM 0 H GLN A 45 -52.497 23.040 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.190 22.949 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -50.087 21.674 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -51.522 20.765 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -50.859 20.563 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -50.547 22.282 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.063 19.969 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -47.419 20.096 -2.437 1.00 0.00 H new ATOM 722 N MET A 46 -50.026 24.389 0.837 1.00 0.00 N ATOM 723 CA MET A 46 -49.130 25.532 0.793 1.00 0.00 C ATOM 724 C MET A 46 -48.299 25.528 -0.492 1.00 0.00 C ATOM 725 O MET A 46 -48.225 26.537 -1.190 1.00 0.00 O ATOM 726 CB MET A 46 -48.197 25.496 2.004 1.00 0.00 C ATOM 727 CG MET A 46 -47.129 26.588 1.908 1.00 0.00 C ATOM 728 SD MET A 46 -45.689 25.960 1.060 1.00 0.00 S ATOM 729 CE MET A 46 -45.016 24.906 2.335 1.00 0.00 C ATOM 0 H MET A 46 -49.954 23.822 1.682 1.00 0.00 H new ATOM 0 HA MET A 46 -49.730 26.442 0.813 1.00 0.00 H new ATOM 0 HB2 MET A 46 -48.776 25.629 2.918 1.00 0.00 H new ATOM 0 HB3 MET A 46 -47.718 24.519 2.069 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.527 27.452 1.375 1.00 0.00 H new ATOM 0 HG3 MET A 46 -46.854 26.928 2.906 1.00 0.00 H new ATOM 0 HE1 MET A 46 -43.941 24.802 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.210 25.348 3.312 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.486 23.924 2.281 1.00 0.00 H new ATOM 739 N LYS A 47 -47.695 24.381 -0.765 1.00 0.00 N ATOM 740 CA LYS A 47 -46.872 24.231 -1.953 1.00 0.00 C ATOM 741 C LYS A 47 -47.683 24.642 -3.184 1.00 0.00 C ATOM 742 O LYS A 47 -47.115 24.982 -4.220 1.00 0.00 O ATOM 743 CB LYS A 47 -46.303 22.813 -2.036 1.00 0.00 C ATOM 744 CG LYS A 47 -44.975 22.800 -2.796 1.00 0.00 C ATOM 745 CD LYS A 47 -43.811 23.157 -1.871 1.00 0.00 C ATOM 746 CE LYS A 47 -43.308 24.576 -2.144 1.00 0.00 C ATOM 747 NZ LYS A 47 -43.334 25.383 -0.905 1.00 0.00 N ATOM 0 H LYS A 47 -47.759 23.546 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 47 -46.008 24.893 -1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -46.155 22.417 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -47.018 22.159 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -44.810 21.814 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -45.018 23.509 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -44.129 23.074 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.998 22.445 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -42.293 24.538 -2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -43.929 25.048 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.942 26.327 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.315 25.477 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.763 24.914 -0.173 1.00 0.00 H new ATOM 761 N ASP A 48 -48.997 24.597 -3.029 1.00 0.00 N ATOM 762 CA ASP A 48 -49.892 24.960 -4.115 1.00 0.00 C ATOM 763 C ASP A 48 -50.851 26.052 -3.637 1.00 0.00 C ATOM 764 O ASP A 48 -52.026 26.054 -4.001 1.00 0.00 O ATOM 765 CB ASP A 48 -50.729 23.760 -4.564 1.00 0.00 C ATOM 766 CG ASP A 48 -49.938 22.634 -5.232 1.00 0.00 C ATOM 767 OD1 ASP A 48 -48.810 22.926 -5.688 1.00 0.00 O ATOM 768 OD2 ASP A 48 -50.478 21.508 -5.272 1.00 0.00 O ATOM 0 H ASP A 48 -49.464 24.315 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 48 -49.284 25.309 -4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -51.249 23.353 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -51.493 24.109 -5.259 1.00 0.00 H new ATOM 773 N CYS A 49 -50.314 26.955 -2.829 1.00 0.00 N ATOM 774 CA CYS A 49 -51.107 28.050 -2.297 1.00 0.00 C ATOM 775 C CYS A 49 -51.413 29.020 -3.440 1.00 0.00 C ATOM 776 O CYS A 49 -50.774 28.971 -4.490 1.00 0.00 O ATOM 777 CB CYS A 49 -50.401 28.746 -1.131 1.00 0.00 C ATOM 778 SG CYS A 49 -51.619 29.668 -0.123 1.00 0.00 S ATOM 0 H CYS A 49 -49.339 26.950 -2.530 1.00 0.00 H new ATOM 0 HA CYS A 49 -52.041 27.662 -1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -49.889 28.009 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -49.640 29.428 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 49 -51.283 30.923 -0.077 1.00 0.00 H new ATOM 783 N THR A 50 -52.392 29.880 -3.198 1.00 0.00 N ATOM 784 CA THR A 50 -52.791 30.860 -4.193 1.00 0.00 C ATOM 785 C THR A 50 -52.545 32.278 -3.675 1.00 0.00 C ATOM 786 O THR A 50 -52.700 33.249 -4.413 1.00 0.00 O ATOM 787 CB THR A 50 -54.252 30.592 -4.561 1.00 0.00 C ATOM 788 OG1 THR A 50 -54.983 31.032 -3.420 1.00 0.00 O ATOM 789 CG2 THR A 50 -54.569 29.099 -4.655 1.00 0.00 C ATOM 0 H THR A 50 -52.921 29.918 -2.326 1.00 0.00 H new ATOM 0 HA THR A 50 -52.191 30.771 -5.098 1.00 0.00 H new ATOM 0 HB THR A 50 -54.480 31.071 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 50 -55.941 30.896 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 50 -55.618 28.966 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 50 -53.942 28.641 -5.420 1.00 0.00 H new ATOM 0 HG23 THR A 50 -54.373 28.624 -3.693 1.00 0.00 H new ATOM 797 N GLU A 51 -52.165 32.352 -2.407 1.00 0.00 N ATOM 798 CA GLU A 51 -51.895 33.635 -1.781 1.00 0.00 C ATOM 799 C GLU A 51 -50.490 34.120 -2.147 1.00 0.00 C ATOM 800 O GLU A 51 -50.332 35.193 -2.727 1.00 0.00 O ATOM 801 CB GLU A 51 -52.068 33.551 -0.263 1.00 0.00 C ATOM 802 CG GLU A 51 -52.785 34.792 0.277 1.00 0.00 C ATOM 803 CD GLU A 51 -54.276 34.754 -0.061 1.00 0.00 C ATOM 804 OE1 GLU A 51 -54.602 34.205 -1.137 1.00 0.00 O ATOM 805 OE2 GLU A 51 -55.059 35.273 0.764 1.00 0.00 O ATOM 0 H GLU A 51 -52.038 31.544 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 51 -52.617 34.360 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -52.637 32.657 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -51.092 33.454 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.655 34.850 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -52.335 35.690 -0.147 1.00 0.00 H new