USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 518 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 53 SER OG : rot 119:sc= 1.22 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 1.15 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.921 X(o=1.7,f=2.1) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.811 USER MOD Set 2.3: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.66 K(o=0.66,f=-0.092) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00124) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.969 K(o=0.97,f=-0.24) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.232 K(o=0.23,f=-8.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.617 (180deg=-0.0542) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.792) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.193 10.698 8.143 1.00 10.00 N ATOM 20 CA THR A 2 -7.370 9.954 7.211 1.00 10.00 C ATOM 21 C THR A 2 -7.670 10.440 5.790 1.00 10.00 C ATOM 22 O THR A 2 -8.558 11.274 5.594 1.00 10.00 O ATOM 23 CB THR A 2 -7.717 8.479 7.431 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.120 8.374 7.593 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.053 7.978 8.716 1.00 10.00 C ATOM 0 HA THR A 2 -6.300 10.097 7.363 1.00 10.00 H new ATOM 0 HB THR A 2 -7.371 7.890 6.582 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.542 8.255 6.717 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.302 6.928 8.869 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.972 8.086 8.633 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.412 8.563 9.563 1.00 10.00 H new ATOM 33 N GLU A 3 -6.884 9.968 4.824 1.00 10.00 N ATOM 34 CA GLU A 3 -6.834 10.411 3.451 1.00 10.00 C ATOM 35 C GLU A 3 -6.638 9.163 2.590 1.00 10.00 C ATOM 36 O GLU A 3 -5.887 8.267 2.986 1.00 10.00 O ATOM 37 CB GLU A 3 -5.636 11.362 3.322 1.00 10.00 C ATOM 38 CG GLU A 3 -5.929 12.549 2.412 1.00 10.00 C ATOM 39 CD GLU A 3 -4.767 13.532 2.464 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.760 13.257 1.781 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.889 14.510 3.233 1.00 10.00 O ATOM 0 H GLU A 3 -6.222 9.213 5.003 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.738 10.932 3.137 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.357 11.726 4.311 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.780 10.812 2.932 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.083 12.206 1.389 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.850 13.042 2.725 1.00 10.00 H new ATOM 48 N LYS A 4 -7.308 9.107 1.434 1.00 10.00 N ATOM 49 CA LYS A 4 -7.191 8.008 0.485 1.00 10.00 C ATOM 50 C LYS A 4 -6.080 8.328 -0.515 1.00 10.00 C ATOM 51 O LYS A 4 -6.066 9.408 -1.100 1.00 10.00 O ATOM 52 CB LYS A 4 -8.520 7.759 -0.258 1.00 10.00 C ATOM 53 CG LYS A 4 -9.292 6.506 0.208 1.00 10.00 C ATOM 54 CD LYS A 4 -10.576 6.814 0.994 1.00 10.00 C ATOM 55 CE LYS A 4 -11.674 7.387 0.073 1.00 10.00 C ATOM 56 NZ LYS A 4 -12.960 7.614 0.771 1.00 10.00 N ATOM 0 H LYS A 4 -7.954 9.836 1.132 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.947 7.098 1.034 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.161 8.632 -0.132 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.313 7.667 -1.324 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.549 5.906 -0.665 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.635 5.899 0.831 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.938 5.905 1.473 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -10.356 7.527 1.789 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.328 8.329 -0.352 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.836 6.702 -0.759 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -13.656 7.999 0.101 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -13.310 6.713 1.155 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.818 8.290 1.549 1.00 10.00 H new ATOM 70 N ALA A 5 -5.177 7.372 -0.723 1.00 10.00 N ATOM 71 CA ALA A 5 -4.018 7.470 -1.591 1.00 10.00 C ATOM 72 C ALA A 5 -3.961 6.203 -2.446 1.00 10.00 C ATOM 73 O ALA A 5 -4.347 5.137 -1.959 1.00 10.00 O ATOM 74 CB ALA A 5 -2.789 7.586 -0.694 1.00 10.00 C ATOM 0 H ALA A 5 -5.243 6.463 -0.264 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.065 8.335 -2.253 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.894 7.662 -1.311 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.876 8.476 -0.070 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.718 6.703 -0.059 1.00 10.00 H new ATOM 80 N GLU A 6 -3.480 6.300 -3.693 1.00 10.00 N ATOM 81 CA GLU A 6 -3.301 5.154 -4.569 1.00 10.00 C ATOM 82 C GLU A 6 -1.860 5.072 -5.039 1.00 10.00 C ATOM 83 O GLU A 6 -1.192 6.101 -5.172 1.00 10.00 O ATOM 84 CB GLU A 6 -4.232 5.228 -5.779 1.00 10.00 C ATOM 85 CG GLU A 6 -5.607 4.647 -5.436 1.00 10.00 C ATOM 86 CD GLU A 6 -6.353 4.127 -6.661 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.706 3.403 -7.448 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.568 4.405 -6.749 1.00 10.00 O ATOM 0 H GLU A 6 -3.205 7.186 -4.117 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.549 4.259 -3.999 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.339 6.264 -6.100 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.797 4.679 -6.614 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.484 3.835 -4.719 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.209 5.414 -4.949 1.00 10.00 H new ATOM 95 N PHE A 7 -1.414 3.839 -5.296 1.00 10.00 N ATOM 96 CA PHE A 7 -0.033 3.500 -5.595 1.00 10.00 C ATOM 97 C PHE A 7 0.010 2.476 -6.725 1.00 10.00 C ATOM 98 O PHE A 7 -0.819 1.562 -6.758 1.00 10.00 O ATOM 99 CB PHE A 7 0.683 2.932 -4.360 1.00 10.00 C ATOM 100 CG PHE A 7 0.454 3.657 -3.056 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.799 3.569 -2.431 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.495 4.359 -2.428 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.098 4.399 -1.345 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.227 5.088 -1.257 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.083 5.165 -0.757 1.00 10.00 C ATOM 0 H PHE A 7 -2.031 3.027 -5.300 1.00 10.00 H new ATOM 0 HA PHE A 7 0.482 4.412 -5.898 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.373 1.895 -4.233 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.754 2.922 -4.561 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.532 2.861 -2.788 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.493 4.339 -2.841 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.107 4.449 -0.962 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.031 5.591 -0.740 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.307 5.812 0.078 1.00 10.00 H new ATOM 115 N ASP A 8 0.986 2.638 -7.623 1.00 10.00 N ATOM 116 CA ASP A 8 1.146 1.841 -8.829 1.00 10.00 C ATOM 117 C ASP A 8 2.241 0.799 -8.584 1.00 10.00 C ATOM 118 O ASP A 8 3.242 1.110 -7.930 1.00 10.00 O ATOM 119 CB ASP A 8 1.479 2.776 -9.995 1.00 10.00 C ATOM 120 CG ASP A 8 1.045 2.168 -11.316 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.251 0.950 -11.480 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.476 2.937 -12.122 1.00 10.00 O ATOM 0 H ASP A 8 1.707 3.353 -7.521 1.00 10.00 H new ATOM 0 HA ASP A 8 0.230 1.308 -9.083 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.982 3.735 -9.851 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.551 2.972 -10.015 1.00 10.00 H new ATOM 127 N ILE A 9 1.992 -0.453 -8.982 1.00 10.00 N ATOM 128 CA ILE A 9 2.704 -1.630 -8.510 1.00 10.00 C ATOM 129 C ILE A 9 3.623 -2.166 -9.606 1.00 10.00 C ATOM 130 O ILE A 9 3.145 -2.590 -10.654 1.00 10.00 O ATOM 131 CB ILE A 9 1.687 -2.714 -8.097 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.444 -2.172 -7.379 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.369 -3.742 -7.197 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.787 -1.260 -6.208 1.00 10.00 C ATOM 0 H ILE A 9 1.266 -0.675 -9.663 1.00 10.00 H new ATOM 0 HA ILE A 9 3.313 -1.358 -7.648 1.00 10.00 H new ATOM 0 HB ILE A 9 1.339 -3.165 -9.026 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.171 -1.623 -8.092 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.155 -3.008 -7.018 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.648 -4.507 -6.907 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.194 -4.207 -7.736 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.752 -3.247 -6.305 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.132 -0.908 -5.740 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.378 -1.813 -5.477 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.361 -0.406 -6.568 1.00 10.00 H new ATOM 146 N GLU A 10 4.932 -2.209 -9.348 1.00 10.00 N ATOM 147 CA GLU A 10 5.900 -2.808 -10.245 1.00 10.00 C ATOM 148 C GLU A 10 6.448 -4.075 -9.585 1.00 10.00 C ATOM 149 O GLU A 10 7.377 -4.014 -8.774 1.00 10.00 O ATOM 150 CB GLU A 10 6.990 -1.779 -10.552 1.00 10.00 C ATOM 151 CG GLU A 10 6.473 -0.667 -11.479 1.00 10.00 C ATOM 152 CD GLU A 10 7.519 0.416 -11.734 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.472 0.510 -10.926 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.345 1.143 -12.735 1.00 10.00 O ATOM 0 H GLU A 10 5.345 -1.823 -8.499 1.00 10.00 H new ATOM 0 HA GLU A 10 5.450 -3.096 -11.195 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.349 -1.340 -9.621 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.840 -2.277 -11.019 1.00 10.00 H new ATOM 0 HG2 GLU A 10 6.168 -1.104 -12.430 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.586 -0.214 -11.037 1.00 10.00 H new ATOM 251 N ASN A 19 -2.392 -9.969 -0.014 1.00 10.00 N ATOM 252 CA ASN A 19 -2.614 -10.412 1.364 1.00 10.00 C ATOM 253 C ASN A 19 -1.428 -10.136 2.289 1.00 10.00 C ATOM 254 O ASN A 19 -1.623 -9.905 3.483 1.00 10.00 O ATOM 255 CB ASN A 19 -2.993 -11.895 1.390 1.00 10.00 C ATOM 256 CG ASN A 19 -4.447 -12.200 1.019 1.00 10.00 C ATOM 257 OD1 ASN A 19 -4.841 -13.361 1.082 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.275 -11.222 0.650 1.00 10.00 N ATOM 0 HA ASN A 19 -3.442 -9.820 1.753 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.339 -12.433 0.704 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.799 -12.286 2.389 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.245 -11.436 0.417 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.939 -10.260 0.601 1.00 10.00 H new ATOM 265 N ARG A 20 -0.193 -10.167 1.779 1.00 10.00 N ATOM 266 CA ARG A 20 0.947 -9.730 2.569 1.00 10.00 C ATOM 267 C ARG A 20 0.867 -8.221 2.763 1.00 10.00 C ATOM 268 O ARG A 20 0.942 -7.746 3.899 1.00 10.00 O ATOM 269 CB ARG A 20 2.285 -10.108 1.917 1.00 10.00 C ATOM 270 CG ARG A 20 3.298 -10.509 3.002 1.00 10.00 C ATOM 271 CD ARG A 20 3.178 -11.976 3.442 1.00 10.00 C ATOM 272 NE ARG A 20 3.699 -12.890 2.408 1.00 10.00 N ATOM 273 CZ ARG A 20 2.997 -13.445 1.405 1.00 10.00 C ATOM 274 NH1 ARG A 20 1.665 -13.342 1.380 1.00 10.00 N ATOM 275 NH2 ARG A 20 3.634 -14.080 0.416 1.00 10.00 N ATOM 0 H ARG A 20 0.035 -10.486 0.837 1.00 10.00 H new ATOM 0 HA ARG A 20 0.907 -10.239 3.532 1.00 10.00 H new ATOM 0 HB2 ARG A 20 2.140 -10.933 1.219 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.670 -9.267 1.340 1.00 10.00 H new ATOM 0 HG2 ARG A 20 4.307 -10.331 2.629 1.00 10.00 H new ATOM 0 HG3 ARG A 20 3.161 -9.865 3.871 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.727 -12.125 4.372 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.134 -12.212 3.647 1.00 10.00 H new ATOM 0 HE ARG A 20 4.690 -13.124 2.459 1.00 10.00 H new ATOM 0 HH11 ARG A 20 1.178 -12.841 2.123 1.00 10.00 H new ATOM 0 HH12 ARG A 20 1.135 -13.764 0.618 1.00 10.00 H new ATOM 0 HH21 ARG A 20 4.652 -14.143 0.423 1.00 10.00 H new ATOM 0 HH22 ARG A 20 3.102 -14.501 -0.345 1.00 10.00 H new ATOM 289 N ILE A 21 0.742 -7.483 1.650 1.00 10.00 N ATOM 290 CA ILE A 21 0.639 -6.028 1.660 1.00 10.00 C ATOM 291 C ILE A 21 -0.319 -5.580 2.751 1.00 10.00 C ATOM 292 O ILE A 21 0.091 -4.815 3.612 1.00 10.00 O ATOM 293 CB ILE A 21 0.215 -5.442 0.298 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.860 -6.124 -0.909 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.506 -3.942 0.279 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.379 -6.263 -0.818 1.00 10.00 C ATOM 0 H ILE A 21 0.710 -7.888 0.714 1.00 10.00 H new ATOM 0 HA ILE A 21 1.637 -5.642 1.866 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.854 -5.630 0.200 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.423 -7.116 -1.027 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.612 -5.557 -1.807 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.207 -3.526 -0.683 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.054 -3.453 1.076 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.573 -3.776 0.430 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.754 -6.757 -1.715 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.830 -5.275 -0.733 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.638 -6.857 0.058 1.00 10.00 H new ATOM 308 N GLU A 22 -1.552 -6.092 2.748 1.00 10.00 N ATOM 309 CA GLU A 22 -2.567 -5.777 3.744 1.00 10.00 C ATOM 310 C GLU A 22 -1.980 -5.751 5.166 1.00 10.00 C ATOM 311 O GLU A 22 -2.147 -4.772 5.889 1.00 10.00 O ATOM 312 CB GLU A 22 -3.721 -6.784 3.620 1.00 10.00 C ATOM 313 CG GLU A 22 -4.473 -6.658 2.281 1.00 10.00 C ATOM 314 CD GLU A 22 -5.401 -7.846 2.052 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.255 -8.066 2.935 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.211 -8.544 1.028 1.00 10.00 O ATOM 0 H GLU A 22 -1.874 -6.749 2.038 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.951 -4.774 3.557 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.328 -7.796 3.718 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.421 -6.633 4.442 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.052 -5.735 2.272 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.755 -6.592 1.463 1.00 10.00 H new ATOM 323 N LYS A 23 -1.253 -6.800 5.568 1.00 10.00 N ATOM 324 CA LYS A 23 -0.653 -6.889 6.892 1.00 10.00 C ATOM 325 C LYS A 23 0.506 -5.896 7.032 1.00 10.00 C ATOM 326 O LYS A 23 0.616 -5.184 8.030 1.00 10.00 O ATOM 327 CB LYS A 23 -0.202 -8.334 7.176 1.00 10.00 C ATOM 328 CG LYS A 23 -1.225 -9.104 8.028 1.00 10.00 C ATOM 329 CD LYS A 23 -2.499 -9.478 7.251 1.00 10.00 C ATOM 330 CE LYS A 23 -2.372 -10.818 6.510 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.471 -11.974 7.429 1.00 10.00 N ATOM 0 H LYS A 23 -1.067 -7.611 4.977 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.402 -6.620 7.637 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.050 -8.858 6.232 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.759 -8.319 7.690 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.760 -10.013 8.410 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.498 -8.498 8.892 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.340 -9.529 7.943 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.725 -8.690 6.532 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.154 -10.889 5.753 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.417 -10.853 5.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.910 -12.765 7.054 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.107 -11.705 8.366 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.466 -12.265 7.514 1.00 10.00 H new ATOM 345 N ARG A 24 1.395 -5.868 6.039 1.00 10.00 N ATOM 346 CA ARG A 24 2.579 -5.025 6.033 1.00 10.00 C ATOM 347 C ARG A 24 2.195 -3.547 6.178 1.00 10.00 C ATOM 348 O ARG A 24 2.893 -2.790 6.847 1.00 10.00 O ATOM 349 CB ARG A 24 3.379 -5.295 4.747 1.00 10.00 C ATOM 350 CG ARG A 24 4.903 -5.286 4.952 1.00 10.00 C ATOM 351 CD ARG A 24 5.465 -6.645 5.396 1.00 10.00 C ATOM 352 NE ARG A 24 5.262 -6.903 6.829 1.00 10.00 N ATOM 353 CZ ARG A 24 5.516 -8.075 7.436 1.00 10.00 C ATOM 354 NH1 ARG A 24 5.935 -9.122 6.716 1.00 10.00 N ATOM 355 NH2 ARG A 24 5.358 -8.191 8.759 1.00 10.00 N ATOM 0 H ARG A 24 1.306 -6.444 5.202 1.00 10.00 H new ATOM 0 HA ARG A 24 3.211 -5.266 6.888 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.082 -6.262 4.341 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.117 -4.543 4.003 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.386 -4.988 4.022 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.158 -4.534 5.699 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.989 -7.437 4.818 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.531 -6.683 5.172 1.00 10.00 H new ATOM 0 HE ARG A 24 4.903 -6.139 7.402 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.061 -9.030 5.708 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.128 -10.012 7.175 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.045 -7.390 9.307 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.551 -9.080 9.220 1.00 10.00 H new ATOM 369 N LEU A 25 1.079 -3.158 5.560 1.00 10.00 N ATOM 370 CA LEU A 25 0.479 -1.839 5.627 1.00 10.00 C ATOM 371 C LEU A 25 -0.276 -1.654 6.943 1.00 10.00 C ATOM 372 O LEU A 25 -0.114 -0.624 7.588 1.00 10.00 O ATOM 373 CB LEU A 25 -0.417 -1.616 4.399 1.00 10.00 C ATOM 374 CG LEU A 25 0.193 -0.564 3.460 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.271 -0.779 2.017 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.239 0.818 3.967 1.00 10.00 C ATOM 0 H LEU A 25 0.546 -3.795 4.969 1.00 10.00 H new ATOM 0 HA LEU A 25 1.262 -1.081 5.609 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.547 -2.556 3.863 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.407 -1.292 4.720 1.00 10.00 H new ATOM 0 HG LEU A 25 1.280 -0.648 3.461 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.176 -0.021 1.374 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.037 -1.768 1.679 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.357 -0.701 1.969 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.179 1.590 3.320 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.327 0.886 3.957 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.124 0.962 4.985 1.00 10.00 H new ATOM 388 N ASN A 26 -1.056 -2.646 7.386 1.00 10.00 N ATOM 389 CA ASN A 26 -1.677 -2.610 8.713 1.00 10.00 C ATOM 390 C ASN A 26 -0.646 -2.343 9.810 1.00 10.00 C ATOM 391 O ASN A 26 -0.990 -1.802 10.854 1.00 10.00 O ATOM 392 CB ASN A 26 -2.429 -3.911 9.034 1.00 10.00 C ATOM 393 CG ASN A 26 -3.941 -3.774 8.890 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.440 -3.167 7.949 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.695 -4.343 9.829 1.00 10.00 N ATOM 0 H ASN A 26 -1.272 -3.483 6.845 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.394 -1.789 8.688 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.076 -4.701 8.372 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.193 -4.219 10.052 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.712 -4.279 9.775 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.256 -4.843 10.602 1.00 10.00 H new ATOM 402 N LYS A 27 0.612 -2.745 9.598 1.00 10.00 N ATOM 403 CA LYS A 27 1.680 -2.498 10.542 1.00 10.00 C ATOM 404 C LYS A 27 1.937 -0.996 10.757 1.00 10.00 C ATOM 405 O LYS A 27 2.488 -0.620 11.789 1.00 10.00 O ATOM 406 CB LYS A 27 2.919 -3.166 9.957 1.00 10.00 C ATOM 407 CG LYS A 27 3.974 -3.571 10.989 1.00 10.00 C ATOM 408 CD LYS A 27 5.278 -2.779 10.825 1.00 10.00 C ATOM 409 CE LYS A 27 5.907 -3.001 9.437 1.00 10.00 C ATOM 410 NZ LYS A 27 7.157 -2.225 9.274 1.00 10.00 N ATOM 0 H LYS A 27 0.907 -3.250 8.763 1.00 10.00 H new ATOM 0 HA LYS A 27 1.416 -2.899 11.521 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.610 -4.054 9.405 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.376 -2.487 9.238 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.578 -3.413 11.992 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.183 -4.636 10.893 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.080 -1.717 10.969 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.986 -3.079 11.598 1.00 10.00 H new ATOM 0 HE2 LYS A 27 6.116 -4.062 9.297 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.195 -2.712 8.664 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.553 -2.399 8.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.953 -1.211 9.383 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.845 -2.519 9.996 1.00 10.00 H new ATOM 424 N ILE A 28 1.630 -0.152 9.766 1.00 10.00 N ATOM 425 CA ILE A 28 1.824 1.290 9.854 1.00 10.00 C ATOM 426 C ILE A 28 0.869 1.854 10.905 1.00 10.00 C ATOM 427 O ILE A 28 -0.312 1.523 10.902 1.00 10.00 O ATOM 428 CB ILE A 28 1.590 1.941 8.477 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.494 1.362 7.372 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.739 3.467 8.544 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.930 1.099 7.818 1.00 10.00 C ATOM 0 H ILE A 28 1.237 -0.458 8.876 1.00 10.00 H new ATOM 0 HA ILE A 28 2.848 1.513 10.154 1.00 10.00 H new ATOM 0 HB ILE A 28 0.562 1.700 8.206 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.059 0.429 7.013 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.507 2.053 6.529 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.567 3.893 7.556 1.00 10.00 H new ATOM 0 HG22 ILE A 28 1.011 3.873 9.246 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.745 3.720 8.878 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.501 0.692 6.984 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.385 2.033 8.149 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.930 0.384 8.641 1.00 10.00 H new ATOM 443 N GLU A 29 1.371 2.714 11.795 1.00 10.00 N ATOM 444 CA GLU A 29 0.588 3.208 12.911 1.00 10.00 C ATOM 445 C GLU A 29 -0.592 4.052 12.413 1.00 10.00 C ATOM 446 O GLU A 29 -1.747 3.750 12.709 1.00 10.00 O ATOM 447 CB GLU A 29 1.507 3.965 13.886 1.00 10.00 C ATOM 448 CG GLU A 29 1.008 3.852 15.332 1.00 10.00 C ATOM 449 CD GLU A 29 1.228 2.458 15.914 1.00 10.00 C ATOM 450 OE1 GLU A 29 2.408 2.046 15.966 1.00 10.00 O ATOM 451 OE2 GLU A 29 0.217 1.829 16.294 1.00 10.00 O ATOM 0 H GLU A 29 2.323 3.079 11.756 1.00 10.00 H new ATOM 0 HA GLU A 29 0.150 2.374 13.459 1.00 10.00 H new ATOM 0 HB2 GLU A 29 2.519 3.566 13.817 1.00 10.00 H new ATOM 0 HB3 GLU A 29 1.558 5.015 13.599 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.524 4.587 15.950 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.054 4.095 15.367 1.00 10.00 H new ATOM 458 N GLY A 30 -0.340 5.104 11.622 1.00 10.00 N ATOM 459 CA GLY A 30 -1.385 6.047 11.260 1.00 10.00 C ATOM 460 C GLY A 30 -2.202 5.565 10.069 1.00 10.00 C ATOM 461 O GLY A 30 -2.461 6.336 9.150 1.00 10.00 O ATOM 0 H GLY A 30 0.576 5.315 11.227 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.045 6.202 12.113 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -0.937 7.012 11.025 1.00 10.00 H new ATOM 465 N VAL A 31 -2.592 4.293 10.057 1.00 10.00 N ATOM 466 CA VAL A 31 -3.314 3.664 8.972 1.00 10.00 C ATOM 467 C VAL A 31 -4.755 3.421 9.414 1.00 10.00 C ATOM 468 O VAL A 31 -5.014 3.240 10.602 1.00 10.00 O ATOM 469 CB VAL A 31 -2.560 2.381 8.599 1.00 10.00 C ATOM 470 CG1 VAL A 31 -2.932 1.184 9.478 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.751 2.060 7.123 1.00 10.00 C ATOM 0 H VAL A 31 -2.404 3.657 10.832 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.366 4.291 8.082 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.503 2.573 8.786 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.364 0.310 9.161 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.700 1.411 10.519 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -3.998 0.978 9.381 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.209 1.147 6.876 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.812 1.920 6.915 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.369 2.883 6.519 1.00 10.00 H new ATOM 481 N ALA A 32 -5.694 3.430 8.465 1.00 10.00 N ATOM 482 CA ALA A 32 -7.089 3.108 8.725 1.00 10.00 C ATOM 483 C ALA A 32 -7.534 1.945 7.850 1.00 10.00 C ATOM 484 O ALA A 32 -8.067 0.969 8.372 1.00 10.00 O ATOM 485 CB ALA A 32 -7.964 4.340 8.523 1.00 10.00 C ATOM 0 H ALA A 32 -5.501 3.663 7.491 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.197 2.797 9.764 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.005 4.084 8.721 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.648 5.127 9.207 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.866 4.691 7.496 1.00 10.00 H new ATOM 491 N ASN A 33 -7.323 2.026 6.531 1.00 10.00 N ATOM 492 CA ASN A 33 -7.718 0.951 5.630 1.00 10.00 C ATOM 493 C ASN A 33 -6.624 0.736 4.588 1.00 10.00 C ATOM 494 O ASN A 33 -5.882 1.662 4.271 1.00 10.00 O ATOM 495 CB ASN A 33 -9.064 1.266 4.959 1.00 10.00 C ATOM 496 CG ASN A 33 -10.197 1.579 5.934 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.913 0.674 6.348 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.420 2.844 6.285 1.00 10.00 N ATOM 0 H ASN A 33 -6.883 2.823 6.071 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.846 0.033 6.204 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.932 2.116 4.289 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.356 0.416 4.342 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.196 3.072 6.907 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -9.815 3.585 5.932 1.00 10.00 H new ATOM 505 N ALA A 34 -6.528 -0.479 4.040 1.00 10.00 N ATOM 506 CA ALA A 34 -5.632 -0.794 2.931 1.00 10.00 C ATOM 507 C ALA A 34 -6.238 -1.854 2.000 1.00 10.00 C ATOM 508 O ALA A 34 -5.673 -2.937 1.853 1.00 10.00 O ATOM 509 CB ALA A 34 -4.264 -1.217 3.481 1.00 10.00 C ATOM 0 H ALA A 34 -7.077 -1.277 4.359 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.493 0.099 2.322 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.596 -1.452 2.653 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.841 -0.403 4.069 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.382 -2.097 4.113 1.00 10.00 H new ATOM 515 N PRO A 35 -7.386 -1.574 1.360 1.00 10.00 N ATOM 516 CA PRO A 35 -8.048 -2.517 0.474 1.00 10.00 C ATOM 517 C PRO A 35 -7.323 -2.550 -0.876 1.00 10.00 C ATOM 518 O PRO A 35 -7.811 -2.012 -1.867 1.00 10.00 O ATOM 519 CB PRO A 35 -9.485 -1.997 0.366 1.00 10.00 C ATOM 520 CG PRO A 35 -9.305 -0.481 0.463 1.00 10.00 C ATOM 521 CD PRO A 35 -8.157 -0.344 1.462 1.00 10.00 C ATOM 0 HA PRO A 35 -8.038 -3.545 0.837 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.951 -2.290 -0.575 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.116 -2.382 1.168 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.057 -0.040 -0.502 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.210 0.013 0.816 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.539 0.524 1.230 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.536 -0.204 2.474 1.00 10.00 H new ATOM 529 N VAL A 36 -6.137 -3.162 -0.916 1.00 10.00 N ATOM 530 CA VAL A 36 -5.344 -3.244 -2.130 1.00 10.00 C ATOM 531 C VAL A 36 -6.037 -4.115 -3.183 1.00 10.00 C ATOM 532 O VAL A 36 -6.770 -5.043 -2.837 1.00 10.00 O ATOM 533 CB VAL A 36 -3.929 -3.745 -1.805 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.360 -3.084 -0.542 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.870 -5.264 -1.641 1.00 10.00 C ATOM 0 H VAL A 36 -5.707 -3.611 -0.107 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.252 -2.246 -2.559 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.318 -3.463 -2.662 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.358 -3.468 -0.350 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.314 -2.005 -0.686 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.004 -3.309 0.308 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.848 -5.566 -1.412 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.529 -5.568 -0.828 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.191 -5.743 -2.566 1.00 10.00 H new ATOM 545 N ASN A 37 -5.786 -3.847 -4.468 1.00 10.00 N ATOM 546 CA ASN A 37 -6.462 -4.552 -5.550 1.00 10.00 C ATOM 547 C ASN A 37 -5.585 -5.685 -6.077 1.00 10.00 C ATOM 548 O ASN A 37 -4.443 -5.461 -6.474 1.00 10.00 O ATOM 549 CB ASN A 37 -6.827 -3.588 -6.675 1.00 10.00 C ATOM 550 CG ASN A 37 -7.676 -2.421 -6.181 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.730 -2.623 -5.589 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.223 -1.199 -6.426 1.00 10.00 N ATOM 0 H ASN A 37 -5.117 -3.144 -4.780 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.383 -4.982 -5.158 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.915 -3.204 -7.132 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.370 -4.127 -7.451 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.757 -0.386 -6.119 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.341 -1.072 -6.922 1.00 10.00 H new ATOM 559 N PHE A 38 -6.129 -6.902 -6.108 1.00 10.00 N ATOM 560 CA PHE A 38 -5.404 -8.139 -6.391 1.00 10.00 C ATOM 561 C PHE A 38 -5.707 -8.662 -7.797 1.00 10.00 C ATOM 562 O PHE A 38 -5.866 -9.864 -8.000 1.00 10.00 O ATOM 563 CB PHE A 38 -5.742 -9.161 -5.295 1.00 10.00 C ATOM 564 CG PHE A 38 -7.201 -9.218 -4.880 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.098 -10.076 -5.543 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.666 -8.392 -3.836 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.447 -10.121 -5.152 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.018 -8.423 -3.462 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.908 -9.294 -4.112 1.00 10.00 C ATOM 0 H PHE A 38 -7.121 -7.058 -5.930 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.331 -7.950 -6.377 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.442 -10.150 -5.641 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.141 -8.935 -4.414 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.750 -10.700 -6.353 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -6.980 -7.734 -3.323 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.131 -10.792 -5.651 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.375 -7.777 -2.674 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.945 -9.329 -3.813 1.00 10.00 H new ATOM 579 N ALA A 39 -5.762 -7.749 -8.768 1.00 10.00 N ATOM 580 CA ALA A 39 -6.005 -8.041 -10.179 1.00 10.00 C ATOM 581 C ALA A 39 -5.793 -6.782 -11.021 1.00 10.00 C ATOM 582 O ALA A 39 -5.279 -6.849 -12.131 1.00 10.00 O ATOM 583 CB ALA A 39 -7.435 -8.554 -10.381 1.00 10.00 C ATOM 0 H ALA A 39 -5.634 -6.753 -8.586 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.302 -8.811 -10.496 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.599 -8.767 -11.437 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.580 -9.465 -9.801 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.144 -7.796 -10.049 1.00 10.00 H new ATOM 589 N LEU A 40 -6.222 -5.633 -10.488 1.00 10.00 N ATOM 590 CA LEU A 40 -6.186 -4.349 -11.173 1.00 10.00 C ATOM 591 C LEU A 40 -4.776 -3.751 -11.177 1.00 10.00 C ATOM 592 O LEU A 40 -4.507 -2.829 -11.942 1.00 10.00 O ATOM 593 CB LEU A 40 -7.156 -3.379 -10.486 1.00 10.00 C ATOM 594 CG LEU A 40 -8.527 -3.979 -10.127 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.416 -2.849 -9.607 1.00 10.00 C ATOM 596 CD2 LEU A 40 -9.179 -4.704 -11.307 1.00 10.00 C ATOM 0 H LEU A 40 -6.611 -5.575 -9.547 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.484 -4.508 -12.209 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.689 -3.006 -9.574 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.311 -2.520 -11.139 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.392 -4.739 -9.357 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.396 -3.248 -9.345 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.958 -2.403 -8.724 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.529 -2.089 -10.381 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.143 -5.108 -10.998 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.325 -4.003 -12.129 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.533 -5.518 -11.636 1.00 10.00 H new ATOM 608 N GLU A 41 -3.910 -4.255 -10.291 1.00 10.00 N ATOM 609 CA GLU A 41 -2.513 -3.865 -10.153 1.00 10.00 C ATOM 610 C GLU A 41 -2.416 -2.439 -9.617 1.00 10.00 C ATOM 611 O GLU A 41 -1.645 -1.619 -10.109 1.00 10.00 O ATOM 612 CB GLU A 41 -1.729 -4.084 -11.458 1.00 10.00 C ATOM 613 CG GLU A 41 -1.761 -5.560 -11.863 1.00 10.00 C ATOM 614 CD GLU A 41 -0.815 -5.855 -13.022 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.359 -6.173 -12.729 1.00 10.00 O ATOM 616 OE2 GLU A 41 -1.278 -5.751 -14.177 1.00 10.00 O ATOM 0 H GLU A 41 -4.181 -4.977 -9.624 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.035 -4.514 -9.419 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.157 -3.474 -12.253 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.697 -3.759 -11.328 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.489 -6.177 -11.007 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.777 -5.837 -12.145 1.00 10.00 H new ATOM 623 N THR A 42 -3.201 -2.166 -8.573 1.00 10.00 N ATOM 624 CA THR A 42 -3.233 -0.897 -7.875 1.00 10.00 C ATOM 625 C THR A 42 -3.404 -1.173 -6.380 1.00 10.00 C ATOM 626 O THR A 42 -4.290 -1.925 -5.974 1.00 10.00 O ATOM 627 CB THR A 42 -4.368 -0.029 -8.438 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.551 -0.790 -8.590 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.993 0.560 -9.801 1.00 10.00 C ATOM 0 H THR A 42 -3.850 -2.850 -8.184 1.00 10.00 H new ATOM 0 HA THR A 42 -2.304 -0.346 -8.019 1.00 10.00 H new ATOM 0 HB THR A 42 -4.534 0.780 -7.727 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.263 -0.220 -8.948 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.817 1.169 -10.173 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.102 1.179 -9.697 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.793 -0.248 -10.504 1.00 10.00 H new ATOM 637 N VAL A 43 -2.547 -0.585 -5.550 1.00 10.00 N ATOM 638 CA VAL A 43 -2.728 -0.580 -4.106 1.00 10.00 C ATOM 639 C VAL A 43 -3.459 0.716 -3.769 1.00 10.00 C ATOM 640 O VAL A 43 -3.104 1.776 -4.285 1.00 10.00 O ATOM 641 CB VAL A 43 -1.367 -0.707 -3.402 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.363 -0.248 -1.942 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.820 -2.140 -3.469 1.00 10.00 C ATOM 0 H VAL A 43 -1.707 -0.098 -5.863 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.317 -1.428 -3.758 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.720 -0.029 -3.959 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.364 -0.372 -1.524 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.650 0.802 -1.890 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.072 -0.847 -1.370 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.143 -2.186 -2.960 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.520 -2.820 -2.983 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.694 -2.433 -4.511 1.00 10.00 H new ATOM 653 N THR A 44 -4.472 0.616 -2.912 1.00 10.00 N ATOM 654 CA THR A 44 -5.293 1.705 -2.431 1.00 10.00 C ATOM 655 C THR A 44 -5.136 1.708 -0.912 1.00 10.00 C ATOM 656 O THR A 44 -5.369 0.672 -0.286 1.00 10.00 O ATOM 657 CB THR A 44 -6.741 1.414 -2.857 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.826 1.234 -4.260 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.685 2.532 -2.424 1.00 10.00 C ATOM 0 H THR A 44 -4.751 -0.282 -2.517 1.00 10.00 H new ATOM 0 HA THR A 44 -5.012 2.680 -2.830 1.00 10.00 H new ATOM 0 HB THR A 44 -7.046 0.493 -2.360 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.755 1.048 -4.510 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.700 2.294 -2.741 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.658 2.631 -1.339 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.372 3.470 -2.882 1.00 10.00 H new ATOM 667 N VAL A 45 -4.709 2.829 -0.320 1.00 10.00 N ATOM 668 CA VAL A 45 -4.523 2.957 1.120 1.00 10.00 C ATOM 669 C VAL A 45 -5.342 4.135 1.628 1.00 10.00 C ATOM 670 O VAL A 45 -5.555 5.099 0.897 1.00 10.00 O ATOM 671 CB VAL A 45 -3.037 3.124 1.477 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.822 3.034 2.993 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.188 2.042 0.803 1.00 10.00 C ATOM 0 H VAL A 45 -4.482 3.678 -0.837 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.869 2.044 1.605 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.731 4.108 1.121 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.762 3.155 3.218 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.391 3.821 3.488 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.160 2.062 3.351 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.141 2.182 1.071 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.520 1.059 1.137 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.298 2.114 -0.279 1.00 10.00 H new ATOM 683 N GLU A 46 -5.787 4.038 2.878 1.00 10.00 N ATOM 684 CA GLU A 46 -6.499 5.052 3.621 1.00 10.00 C ATOM 685 C GLU A 46 -5.694 5.265 4.911 1.00 10.00 C ATOM 686 O GLU A 46 -5.716 4.403 5.797 1.00 10.00 O ATOM 687 CB GLU A 46 -7.930 4.539 3.846 1.00 10.00 C ATOM 688 CG GLU A 46 -9.014 5.618 3.746 1.00 10.00 C ATOM 689 CD GLU A 46 -9.391 6.190 5.095 1.00 10.00 C ATOM 690 OE1 GLU A 46 -9.602 5.365 6.006 1.00 10.00 O ATOM 691 OE2 GLU A 46 -9.484 7.433 5.186 1.00 10.00 O ATOM 0 H GLU A 46 -5.646 3.190 3.427 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.591 6.013 3.115 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.142 3.759 3.114 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.986 4.076 4.831 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.662 6.422 3.100 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.901 5.195 3.274 1.00 10.00 H new ATOM 698 N TYR A 47 -4.913 6.352 4.976 1.00 10.00 N ATOM 699 CA TYR A 47 -3.961 6.610 6.059 1.00 10.00 C ATOM 700 C TYR A 47 -3.996 8.078 6.468 1.00 10.00 C ATOM 701 O TYR A 47 -4.551 8.897 5.744 1.00 10.00 O ATOM 702 CB TYR A 47 -2.541 6.184 5.651 1.00 10.00 C ATOM 703 CG TYR A 47 -1.824 7.096 4.662 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.119 8.222 5.130 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.807 6.804 3.286 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.470 9.089 4.240 1.00 10.00 C ATOM 707 CE2 TYR A 47 -1.112 7.646 2.400 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.486 8.810 2.868 1.00 10.00 C ATOM 709 OH TYR A 47 0.120 9.655 1.988 1.00 10.00 O ATOM 0 H TYR A 47 -4.927 7.085 4.267 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.255 6.012 6.922 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.933 6.110 6.553 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.594 5.184 5.220 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.078 8.420 6.191 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.327 5.935 2.911 1.00 10.00 H new ATOM 0 HE1 TYR A 47 0.039 9.967 4.610 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -1.060 7.394 1.351 1.00 10.00 H new ATOM 0 HH TYR A 47 0.014 9.309 1.077 1.00 10.00 H new ATOM 719 N ASN A 48 -3.401 8.420 7.614 1.00 10.00 N ATOM 720 CA ASN A 48 -3.324 9.797 8.092 1.00 10.00 C ATOM 721 C ASN A 48 -1.911 10.349 7.881 1.00 10.00 C ATOM 722 O ASN A 48 -0.943 9.712 8.301 1.00 10.00 O ATOM 723 CB ASN A 48 -3.811 9.940 9.544 1.00 10.00 C ATOM 724 CG ASN A 48 -2.958 9.280 10.629 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.797 9.621 10.830 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.553 8.388 11.415 1.00 10.00 N ATOM 0 H ASN A 48 -2.958 7.744 8.237 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.009 10.404 7.499 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.888 11.003 9.773 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.818 9.527 9.606 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.043 7.978 12.198 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.519 8.114 11.236 1.00 10.00 H new ATOM 733 N PRO A 49 -1.753 11.514 7.230 1.00 10.00 N ATOM 734 CA PRO A 49 -0.453 12.143 7.057 1.00 10.00 C ATOM 735 C PRO A 49 -0.015 12.791 8.379 1.00 10.00 C ATOM 736 O PRO A 49 0.129 14.007 8.476 1.00 10.00 O ATOM 737 CB PRO A 49 -0.649 13.143 5.911 1.00 10.00 C ATOM 738 CG PRO A 49 -2.112 13.560 6.056 1.00 10.00 C ATOM 739 CD PRO A 49 -2.789 12.284 6.553 1.00 10.00 C ATOM 0 HA PRO A 49 0.347 11.446 6.805 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.023 13.996 6.002 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.455 12.686 4.941 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.229 14.380 6.764 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.531 13.896 5.107 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.608 12.517 7.233 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.214 11.720 5.723 1.00 10.00 H new ATOM 747 N LYS A 50 0.184 11.960 9.405 1.00 10.00 N ATOM 748 CA LYS A 50 0.682 12.334 10.717 1.00 10.00 C ATOM 749 C LYS A 50 1.587 11.191 11.174 1.00 10.00 C ATOM 750 O LYS A 50 2.765 11.398 11.452 1.00 10.00 O ATOM 751 CB LYS A 50 -0.513 12.595 11.655 1.00 10.00 C ATOM 752 CG LYS A 50 -0.190 12.424 13.149 1.00 10.00 C ATOM 753 CD LYS A 50 -1.436 12.499 14.036 1.00 10.00 C ATOM 754 CE LYS A 50 -2.174 13.830 13.858 1.00 10.00 C ATOM 755 NZ LYS A 50 -3.153 14.056 14.940 1.00 10.00 N ATOM 0 H LYS A 50 -0.009 10.961 9.333 1.00 10.00 H new ATOM 0 HA LYS A 50 1.262 13.257 10.712 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.878 13.608 11.487 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.324 11.916 11.390 1.00 10.00 H new ATOM 0 HG2 LYS A 50 0.303 11.464 13.302 1.00 10.00 H new ATOM 0 HG3 LYS A 50 0.515 13.197 13.455 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.107 11.675 13.793 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -1.148 12.378 15.080 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -1.453 14.647 13.842 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -2.686 13.837 12.896 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -3.634 14.965 14.788 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -3.855 13.289 14.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -2.660 14.073 15.856 1.00 10.00 H new ATOM 769 N GLU A 51 1.010 9.990 11.247 1.00 10.00 N ATOM 770 CA GLU A 51 1.636 8.785 11.775 1.00 10.00 C ATOM 771 C GLU A 51 1.853 7.711 10.698 1.00 10.00 C ATOM 772 O GLU A 51 2.321 6.612 10.993 1.00 10.00 O ATOM 773 CB GLU A 51 0.726 8.268 12.888 1.00 10.00 C ATOM 774 CG GLU A 51 1.163 8.803 14.259 1.00 10.00 C ATOM 775 CD GLU A 51 0.027 8.789 15.273 1.00 10.00 C ATOM 776 OE1 GLU A 51 -1.028 9.379 14.947 1.00 10.00 O ATOM 777 OE2 GLU A 51 0.244 8.228 16.367 1.00 10.00 O ATOM 0 H GLU A 51 0.055 9.828 10.926 1.00 10.00 H new ATOM 0 HA GLU A 51 2.631 9.022 12.152 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.303 8.569 12.689 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.743 7.178 12.898 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.990 8.201 14.635 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.535 9.821 14.147 1.00 10.00 H new ATOM 784 N ALA A 52 1.480 8.009 9.457 1.00 10.00 N ATOM 785 CA ALA A 52 1.763 7.203 8.277 1.00 10.00 C ATOM 786 C ALA A 52 2.287 8.092 7.146 1.00 10.00 C ATOM 787 O ALA A 52 1.989 9.286 7.113 1.00 10.00 O ATOM 788 CB ALA A 52 0.473 6.505 7.858 1.00 10.00 C ATOM 0 H ALA A 52 0.951 8.853 9.239 1.00 10.00 H new ATOM 0 HA ALA A 52 2.529 6.460 8.500 1.00 10.00 H new ATOM 0 HB1 ALA A 52 0.660 5.894 6.975 1.00 10.00 H new ATOM 0 HB2 ALA A 52 0.123 5.869 8.671 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -0.287 7.252 7.628 1.00 10.00 H new ATOM 794 N SER A 53 3.066 7.524 6.215 1.00 10.00 N ATOM 795 CA SER A 53 3.539 8.238 5.034 1.00 10.00 C ATOM 796 C SER A 53 3.659 7.304 3.828 1.00 10.00 C ATOM 797 O SER A 53 3.782 6.084 3.970 1.00 10.00 O ATOM 798 CB SER A 53 4.881 8.922 5.325 1.00 10.00 C ATOM 799 OG SER A 53 5.892 7.957 5.561 1.00 10.00 O ATOM 0 H SER A 53 3.383 6.556 6.265 1.00 10.00 H new ATOM 0 HA SER A 53 2.803 9.003 4.787 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.163 9.554 4.483 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.783 9.573 6.193 1.00 10.00 H new ATOM 0 HG SER A 53 6.598 8.051 4.888 1.00 10.00 H new ATOM 805 N VAL A 54 3.680 7.914 2.640 1.00 10.00 N ATOM 806 CA VAL A 54 3.931 7.253 1.365 1.00 10.00 C ATOM 807 C VAL A 54 5.234 6.454 1.454 1.00 10.00 C ATOM 808 O VAL A 54 5.284 5.280 1.096 1.00 10.00 O ATOM 809 CB VAL A 54 4.006 8.317 0.248 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.246 7.706 -1.141 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.719 9.152 0.194 1.00 10.00 C ATOM 0 H VAL A 54 3.517 8.916 2.540 1.00 10.00 H new ATOM 0 HA VAL A 54 3.121 6.562 1.132 1.00 10.00 H new ATOM 0 HB VAL A 54 4.857 8.949 0.500 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.289 8.501 -1.886 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.188 7.158 -1.140 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.431 7.025 -1.385 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.799 9.893 -0.601 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.869 8.498 -0.003 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.573 9.658 1.148 1.00 10.00 H new ATOM 821 N SER A 55 6.291 7.113 1.933 1.00 10.00 N ATOM 822 CA SER A 55 7.620 6.570 2.145 1.00 10.00 C ATOM 823 C SER A 55 7.580 5.273 2.954 1.00 10.00 C ATOM 824 O SER A 55 8.239 4.291 2.590 1.00 10.00 O ATOM 825 CB SER A 55 8.444 7.653 2.862 1.00 10.00 C ATOM 826 OG SER A 55 7.592 8.599 3.495 1.00 10.00 O ATOM 0 H SER A 55 6.231 8.097 2.196 1.00 10.00 H new ATOM 0 HA SER A 55 8.077 6.311 1.190 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.095 7.190 3.603 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.089 8.160 2.144 1.00 10.00 H new ATOM 0 HG SER A 55 8.136 9.278 3.947 1.00 10.00 H new ATOM 832 N ASP A 56 6.836 5.298 4.058 1.00 10.00 N ATOM 833 CA ASP A 56 6.773 4.211 5.018 1.00 10.00 C ATOM 834 C ASP A 56 6.083 2.999 4.388 1.00 10.00 C ATOM 835 O ASP A 56 6.656 1.916 4.279 1.00 10.00 O ATOM 836 CB ASP A 56 6.047 4.737 6.261 1.00 10.00 C ATOM 837 CG ASP A 56 6.051 3.767 7.427 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.613 2.661 7.276 1.00 10.00 O ATOM 839 OD2 ASP A 56 5.479 4.167 8.463 1.00 10.00 O ATOM 0 H ASP A 56 6.250 6.094 4.310 1.00 10.00 H new ATOM 0 HA ASP A 56 7.766 3.873 5.313 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.514 5.671 6.575 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.015 4.969 5.997 1.00 10.00 H new ATOM 844 N LEU A 57 4.869 3.188 3.868 1.00 10.00 N ATOM 845 CA LEU A 57 4.142 2.070 3.280 1.00 10.00 C ATOM 846 C LEU A 57 4.849 1.551 2.019 1.00 10.00 C ATOM 847 O LEU A 57 4.985 0.341 1.832 1.00 10.00 O ATOM 848 CB LEU A 57 2.662 2.410 3.101 1.00 10.00 C ATOM 849 CG LEU A 57 2.413 3.512 2.067 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.269 2.893 0.671 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.185 4.355 2.432 1.00 10.00 C ATOM 0 H LEU A 57 4.381 4.083 3.843 1.00 10.00 H new ATOM 0 HA LEU A 57 4.153 1.227 3.971 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.124 1.511 2.800 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.250 2.722 4.061 1.00 10.00 H new ATOM 0 HG LEU A 57 3.271 4.184 2.063 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.092 3.682 -0.060 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.183 2.358 0.414 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.429 2.198 0.666 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.037 5.128 1.678 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.304 3.715 2.474 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.340 4.822 3.404 1.00 10.00 H new ATOM 863 N LYS A 58 5.376 2.442 1.169 1.00 10.00 N ATOM 864 CA LYS A 58 6.377 2.060 0.192 1.00 10.00 C ATOM 865 C LYS A 58 7.449 1.143 0.788 1.00 10.00 C ATOM 866 O LYS A 58 7.744 0.123 0.181 1.00 10.00 O ATOM 867 CB LYS A 58 6.968 3.322 -0.437 1.00 10.00 C ATOM 868 CG LYS A 58 8.001 3.030 -1.526 1.00 10.00 C ATOM 869 CD LYS A 58 9.379 3.637 -1.219 1.00 10.00 C ATOM 870 CE LYS A 58 10.257 2.803 -0.265 1.00 10.00 C ATOM 871 NZ LYS A 58 10.257 3.286 1.135 1.00 10.00 N ATOM 0 H LYS A 58 5.119 3.429 1.146 1.00 10.00 H new ATOM 0 HA LYS A 58 5.901 1.471 -0.591 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.161 3.919 -0.862 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.433 3.924 0.343 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.103 1.951 -1.644 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.640 3.422 -2.477 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.917 3.775 -2.157 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.236 4.627 -0.786 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.912 1.769 -0.281 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.281 2.803 -0.638 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.696 2.571 1.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.796 4.173 1.196 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.278 3.454 1.444 1.00 10.00 H new ATOM 885 N GLU A 59 8.049 1.479 1.937 1.00 10.00 N ATOM 886 CA GLU A 59 9.083 0.651 2.550 1.00 10.00 C ATOM 887 C GLU A 59 8.574 -0.766 2.798 1.00 10.00 C ATOM 888 O GLU A 59 9.256 -1.745 2.504 1.00 10.00 O ATOM 889 CB GLU A 59 9.559 1.284 3.866 1.00 10.00 C ATOM 890 CG GLU A 59 10.989 0.830 4.201 1.00 10.00 C ATOM 891 CD GLU A 59 11.091 0.086 5.535 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.911 -1.154 5.531 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.371 0.768 6.542 1.00 10.00 O ATOM 0 H GLU A 59 7.830 2.327 2.461 1.00 10.00 H new ATOM 0 HA GLU A 59 9.925 0.593 1.860 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.527 2.371 3.785 1.00 10.00 H new ATOM 0 HB3 GLU A 59 8.884 1.004 4.675 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.354 0.183 3.403 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.643 1.702 4.228 1.00 10.00 H new ATOM 900 N ALA A 60 7.346 -0.868 3.304 1.00 10.00 N ATOM 901 CA ALA A 60 6.709 -2.160 3.511 1.00 10.00 C ATOM 902 C ALA A 60 6.722 -2.976 2.210 1.00 10.00 C ATOM 903 O ALA A 60 7.202 -4.113 2.192 1.00 10.00 O ATOM 904 CB ALA A 60 5.304 -1.977 4.100 1.00 10.00 C ATOM 0 H ALA A 60 6.775 -0.068 3.577 1.00 10.00 H new ATOM 0 HA ALA A 60 7.276 -2.735 4.243 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.842 -2.953 4.248 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.375 -1.460 5.057 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.696 -1.388 3.414 1.00 10.00 H new ATOM 910 N VAL A 61 6.222 -2.397 1.115 1.00 10.00 N ATOM 911 CA VAL A 61 6.242 -3.069 -0.186 1.00 10.00 C ATOM 912 C VAL A 61 7.678 -3.336 -0.686 1.00 10.00 C ATOM 913 O VAL A 61 7.952 -4.383 -1.273 1.00 10.00 O ATOM 914 CB VAL A 61 5.388 -2.304 -1.210 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.361 -3.066 -2.544 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.948 -2.183 -0.698 1.00 10.00 C ATOM 0 H VAL A 61 5.800 -1.468 1.104 1.00 10.00 H new ATOM 0 HA VAL A 61 5.789 -4.052 -0.059 1.00 10.00 H new ATOM 0 HB VAL A 61 5.822 -1.314 -1.353 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.754 -2.517 -3.264 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.377 -3.165 -2.927 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.933 -4.056 -2.389 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.347 -1.640 -1.427 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.529 -3.179 -0.552 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.943 -1.644 0.250 1.00 10.00 H new ATOM 926 N ASP A 62 8.596 -2.402 -0.434 1.00 10.00 N ATOM 927 CA ASP A 62 9.986 -2.456 -0.866 1.00 10.00 C ATOM 928 C ASP A 62 10.644 -3.692 -0.258 1.00 10.00 C ATOM 929 O ASP A 62 11.109 -4.579 -0.972 1.00 10.00 O ATOM 930 CB ASP A 62 10.663 -1.146 -0.441 1.00 10.00 C ATOM 931 CG ASP A 62 12.001 -0.875 -1.101 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.836 -1.801 -1.118 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.166 0.287 -1.540 1.00 10.00 O ATOM 0 H ASP A 62 8.380 -1.558 0.096 1.00 10.00 H new ATOM 0 HA ASP A 62 10.077 -2.546 -1.948 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.990 -0.318 -0.663 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.804 -1.161 0.640 1.00 10.00 H new ATOM 938 N LYS A 63 10.572 -3.803 1.073 1.00 10.00 N ATOM 939 CA LYS A 63 11.050 -4.956 1.817 1.00 10.00 C ATOM 940 C LYS A 63 10.403 -6.242 1.293 1.00 10.00 C ATOM 941 O LYS A 63 11.072 -7.268 1.183 1.00 10.00 O ATOM 942 CB LYS A 63 10.762 -4.760 3.312 1.00 10.00 C ATOM 943 CG LYS A 63 11.492 -5.825 4.154 1.00 10.00 C ATOM 944 CD LYS A 63 12.723 -5.262 4.882 1.00 10.00 C ATOM 945 CE LYS A 63 12.338 -4.787 6.291 1.00 10.00 C ATOM 946 NZ LYS A 63 13.460 -4.122 6.983 1.00 10.00 N ATOM 0 H LYS A 63 10.171 -3.077 1.667 1.00 10.00 H new ATOM 0 HA LYS A 63 12.127 -5.050 1.679 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.081 -3.764 3.621 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.689 -4.821 3.491 1.00 10.00 H new ATOM 0 HG2 LYS A 63 10.800 -6.241 4.886 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.801 -6.645 3.506 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.497 -6.027 4.947 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.143 -4.432 4.313 1.00 10.00 H new ATOM 0 HE2 LYS A 63 11.496 -4.098 6.223 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.004 -5.640 6.881 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 13.153 -3.819 7.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 14.255 -4.786 7.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 13.763 -3.292 6.435 1.00 10.00 H new ATOM 960 N LEU A 64 9.100 -6.202 0.988 1.00 10.00 N ATOM 961 CA LEU A 64 8.394 -7.303 0.352 1.00 10.00 C ATOM 962 C LEU A 64 9.130 -7.828 -0.892 1.00 10.00 C ATOM 963 O LEU A 64 9.066 -9.023 -1.173 1.00 10.00 O ATOM 964 CB LEU A 64 6.965 -6.859 -0.010 1.00 10.00 C ATOM 965 CG LEU A 64 5.808 -7.665 0.591 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.115 -9.159 0.658 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.422 -7.128 1.970 1.00 10.00 C ATOM 0 H LEU A 64 8.508 -5.394 1.181 1.00 10.00 H new ATOM 0 HA LEU A 64 8.352 -8.128 1.063 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.847 -5.819 0.295 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.868 -6.886 -1.095 1.00 10.00 H new ATOM 0 HG LEU A 64 4.957 -7.542 -0.079 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.265 -9.686 1.091 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.303 -9.537 -0.347 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.997 -9.322 1.278 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.599 -7.718 2.373 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.279 -7.196 2.640 1.00 10.00 H new ATOM 0 HD23 LEU A 64 5.112 -6.087 1.881 1.00 10.00 H new ATOM 979 N GLY A 65 9.820 -6.950 -1.628 1.00 10.00 N ATOM 980 CA GLY A 65 10.745 -7.325 -2.693 1.00 10.00 C ATOM 981 C GLY A 65 10.273 -6.888 -4.079 1.00 10.00 C ATOM 982 O GLY A 65 10.753 -7.414 -5.079 1.00 10.00 O ATOM 0 H GLY A 65 9.747 -5.941 -1.495 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.720 -6.882 -2.492 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.879 -8.407 -2.686 1.00 10.00 H new ATOM 986 N TYR A 66 9.328 -5.947 -4.157 1.00 10.00 N ATOM 987 CA TYR A 66 8.840 -5.372 -5.405 1.00 10.00 C ATOM 988 C TYR A 66 8.571 -3.892 -5.150 1.00 10.00 C ATOM 989 O TYR A 66 8.615 -3.460 -4.000 1.00 10.00 O ATOM 990 CB TYR A 66 7.616 -6.142 -5.924 1.00 10.00 C ATOM 991 CG TYR A 66 6.862 -6.942 -4.883 1.00 10.00 C ATOM 992 CD1 TYR A 66 7.338 -8.212 -4.502 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.732 -6.404 -4.246 1.00 10.00 C ATOM 994 CE1 TYR A 66 6.680 -8.945 -3.503 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.064 -7.149 -3.269 1.00 10.00 C ATOM 996 CZ TYR A 66 5.519 -8.428 -2.912 1.00 10.00 C ATOM 997 OH TYR A 66 4.799 -9.199 -2.051 1.00 10.00 O ATOM 0 H TYR A 66 8.873 -5.557 -3.332 1.00 10.00 H new ATOM 0 HA TYR A 66 9.581 -5.458 -6.200 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.927 -5.431 -6.380 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.942 -6.820 -6.713 1.00 10.00 H new ATOM 0 HD1 TYR A 66 8.214 -8.623 -4.981 1.00 10.00 H new ATOM 0 HD2 TYR A 66 5.380 -5.418 -4.510 1.00 10.00 H new ATOM 0 HE1 TYR A 66 7.067 -9.904 -3.191 1.00 10.00 H new ATOM 0 HE2 TYR A 66 4.191 -6.737 -2.785 1.00 10.00 H new ATOM 0 HH TYR A 66 4.024 -8.693 -1.728 1.00 10.00 H new ATOM 1007 N LYS A 67 8.361 -3.100 -6.205 1.00 10.00 N ATOM 1008 CA LYS A 67 8.427 -1.650 -6.087 1.00 10.00 C ATOM 1009 C LYS A 67 7.034 -1.026 -6.116 1.00 10.00 C ATOM 1010 O LYS A 67 6.133 -1.493 -6.815 1.00 10.00 O ATOM 1011 CB LYS A 67 9.377 -1.070 -7.140 1.00 10.00 C ATOM 1012 CG LYS A 67 9.748 0.387 -6.833 1.00 10.00 C ATOM 1013 CD LYS A 67 10.846 0.851 -7.795 1.00 10.00 C ATOM 1014 CE LYS A 67 11.317 2.263 -7.423 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.403 2.722 -8.313 1.00 10.00 N ATOM 0 H LYS A 67 8.146 -3.440 -7.142 1.00 10.00 H new ATOM 0 HA LYS A 67 8.845 -1.392 -5.114 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.283 -1.674 -7.184 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.908 -1.126 -8.123 1.00 10.00 H new ATOM 0 HG2 LYS A 67 8.870 1.025 -6.932 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.092 0.476 -5.802 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.687 0.158 -7.759 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.470 0.843 -8.818 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.478 2.956 -7.484 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.663 2.272 -6.390 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.698 3.680 -8.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.213 2.074 -8.236 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 12.064 2.736 -9.296 1.00 10.00 H new ATOM 1029 N LEU A 68 6.891 0.039 -5.324 1.00 10.00 N ATOM 1030 CA LEU A 68 5.675 0.803 -5.132 1.00 10.00 C ATOM 1031 C LEU A 68 6.014 2.276 -5.315 1.00 10.00 C ATOM 1032 O LEU A 68 7.089 2.710 -4.899 1.00 10.00 O ATOM 1033 CB LEU A 68 5.195 0.590 -3.691 1.00 10.00 C ATOM 1034 CG LEU A 68 3.777 1.124 -3.459 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.755 0.133 -4.008 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.506 1.390 -1.983 1.00 10.00 C ATOM 0 H LEU A 68 7.668 0.404 -4.773 1.00 10.00 H new ATOM 0 HA LEU A 68 4.905 0.493 -5.838 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.222 -0.474 -3.456 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.883 1.085 -3.006 1.00 10.00 H new ATOM 0 HG LEU A 68 3.688 2.074 -3.986 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.749 0.518 -3.840 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.918 -0.003 -5.077 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.867 -0.824 -3.499 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.491 1.767 -1.862 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.619 0.464 -1.420 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.215 2.130 -1.610 1.00 10.00 H new ATOM 1048 N LYS A 69 5.083 3.052 -5.870 1.00 10.00 N ATOM 1049 CA LYS A 69 5.120 4.493 -5.887 1.00 10.00 C ATOM 1050 C LYS A 69 3.695 5.015 -5.934 1.00 10.00 C ATOM 1051 O LYS A 69 2.811 4.307 -6.397 1.00 10.00 O ATOM 1052 CB LYS A 69 5.897 4.981 -7.115 1.00 10.00 C ATOM 1053 CG LYS A 69 7.404 5.108 -6.876 1.00 10.00 C ATOM 1054 CD LYS A 69 7.654 5.919 -5.597 1.00 10.00 C ATOM 1055 CE LYS A 69 9.035 6.588 -5.626 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.217 7.538 -4.509 1.00 10.00 N ATOM 0 H LYS A 69 4.259 2.670 -6.333 1.00 10.00 H new ATOM 0 HA LYS A 69 5.620 4.862 -4.991 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.725 4.291 -7.941 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.503 5.950 -7.422 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.853 4.119 -6.786 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.878 5.597 -7.727 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.881 6.679 -5.488 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.582 5.265 -4.728 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.809 5.822 -5.579 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.163 7.113 -6.572 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.163 7.966 -4.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.495 8.284 -4.567 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.121 7.033 -3.605 1.00 10.00 H new ATOM 1070 N LEU A 70 3.483 6.238 -5.441 1.00 10.00 N ATOM 1071 CA LEU A 70 2.170 6.867 -5.499 1.00 10.00 C ATOM 1072 C LEU A 70 1.750 7.087 -6.953 1.00 10.00 C ATOM 1073 O LEU A 70 2.586 7.230 -7.844 1.00 10.00 O ATOM 1074 CB LEU A 70 2.176 8.214 -4.756 1.00 10.00 C ATOM 1075 CG LEU A 70 0.822 8.654 -4.189 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.447 7.783 -2.991 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.889 10.118 -3.743 1.00 10.00 C ATOM 0 H LEU A 70 4.205 6.808 -4.999 1.00 10.00 H new ATOM 0 HA LEU A 70 1.456 6.201 -5.014 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.893 8.155 -3.937 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.534 8.985 -5.438 1.00 10.00 H new ATOM 0 HG LEU A 70 0.068 8.545 -4.969 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.517 8.104 -2.595 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.382 6.741 -3.305 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.208 7.882 -2.217 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.078 10.421 -3.342 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.652 10.229 -2.973 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.141 10.747 -4.597 1.00 10.00 H new ATOM 1089 N LYS A 71 0.439 7.157 -7.151 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.248 7.507 -8.371 1.00 10.00 C ATOM 1091 C LYS A 71 -0.919 8.854 -8.117 1.00 10.00 C ATOM 1092 O LYS A 71 -0.645 9.831 -8.810 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.266 6.393 -8.653 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.287 6.761 -9.731 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.270 5.783 -10.914 1.00 10.00 C ATOM 1096 CE LYS A 71 -1.026 6.004 -11.790 1.00 10.00 C ATOM 1097 NZ LYS A 71 -0.895 4.973 -12.838 1.00 10.00 N ATOM 0 H LYS A 71 -0.216 6.952 -6.397 1.00 10.00 H new ATOM 0 HA LYS A 71 0.408 7.596 -9.237 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.733 5.493 -8.960 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.794 6.151 -7.730 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.284 6.778 -9.292 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -2.081 7.768 -10.093 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.282 4.758 -10.544 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.170 5.916 -11.514 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -1.081 6.988 -12.255 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.135 5.997 -11.162 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.208 5.289 -13.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.566 4.084 -12.411 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.819 4.818 -13.290 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.810 8.894 -7.123 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.536 10.097 -6.763 1.00 10.00 C ATOM 1113 C GLY A 72 -3.450 9.808 -5.580 1.00 10.00 C ATOM 1114 O GLY A 72 -3.065 10.026 -4.433 1.00 10.00 O ATOM 0 H GLY A 72 -2.043 8.085 -6.548 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.837 10.893 -6.509 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.123 10.447 -7.612 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.648 9.291 -5.857 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.726 9.154 -4.895 1.00 10.00 C ATOM 1120 C GLU A 73 -6.747 8.172 -5.463 1.00 10.00 C ATOM 1121 O GLU A 73 -6.591 7.736 -6.603 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.348 10.529 -4.595 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.915 11.222 -5.844 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.589 12.539 -5.483 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.531 12.484 -4.663 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.145 13.574 -6.028 1.00 10.00 O ATOM 0 H GLU A 73 -4.895 8.948 -6.785 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.353 8.765 -3.947 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.145 10.408 -3.861 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.593 11.171 -4.142 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.112 11.405 -6.558 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.633 10.565 -6.334 1.00 10.00 H new