USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 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 37 ASN : amide:sc= 0.533 K(o=1.2,f=1.8) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.661 USER MOD Single : A 2 THR OG1 : rot -26:sc= 0.525 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 1.27 (180deg=0.964) USER MOD Single : A 19 ASN : amide:sc= 0.897 K(o=0.9,f=-0.15) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.15 K(o=1.2,f=-0.24) USER MOD Single : A 44 THR OG1 : rot -3:sc= 1.3 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0947 USER MOD Single : A 48 ASN : amide:sc= -1.63 K(o=-1.6,f=-9.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00472 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0.156 (180deg=-0.443) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.00695 (180deg=-0.11) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.135 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00914) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00985) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.288 11.003 8.193 1.00 10.00 N ATOM 20 CA THR A 2 -7.463 10.209 7.298 1.00 10.00 C ATOM 21 C THR A 2 -7.544 10.791 5.887 1.00 10.00 C ATOM 22 O THR A 2 -8.369 11.664 5.618 1.00 10.00 O ATOM 23 CB THR A 2 -7.993 8.771 7.344 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.409 8.815 7.280 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.572 8.096 8.657 1.00 10.00 C ATOM 0 HA THR A 2 -6.415 10.221 7.599 1.00 10.00 H new ATOM 0 HB THR A 2 -7.587 8.203 6.507 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.726 9.674 7.631 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.953 7.075 8.680 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.484 8.079 8.725 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.979 8.654 9.500 1.00 10.00 H new ATOM 33 N GLU A 3 -6.677 10.292 5.007 1.00 10.00 N ATOM 34 CA GLU A 3 -6.532 10.652 3.612 1.00 10.00 C ATOM 35 C GLU A 3 -6.487 9.359 2.813 1.00 10.00 C ATOM 36 O GLU A 3 -6.033 8.336 3.325 1.00 10.00 O ATOM 37 CB GLU A 3 -5.216 11.418 3.441 1.00 10.00 C ATOM 38 CG GLU A 3 -5.491 12.912 3.316 1.00 10.00 C ATOM 39 CD GLU A 3 -4.287 13.721 3.774 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.358 13.879 2.954 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.301 14.125 4.957 1.00 10.00 O ATOM 0 H GLU A 3 -6.010 9.570 5.280 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.356 11.278 3.271 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.564 11.231 4.294 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.691 11.062 2.554 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.728 13.158 2.281 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.363 13.178 3.914 1.00 10.00 H new ATOM 48 N LYS A 4 -6.961 9.416 1.568 1.00 10.00 N ATOM 49 CA LYS A 4 -6.980 8.288 0.658 1.00 10.00 C ATOM 50 C LYS A 4 -5.958 8.539 -0.435 1.00 10.00 C ATOM 51 O LYS A 4 -6.042 9.551 -1.128 1.00 10.00 O ATOM 52 CB LYS A 4 -8.364 8.086 0.036 1.00 10.00 C ATOM 53 CG LYS A 4 -9.374 7.486 1.018 1.00 10.00 C ATOM 54 CD LYS A 4 -9.964 8.571 1.928 1.00 10.00 C ATOM 55 CE LYS A 4 -11.442 8.846 1.621 1.00 10.00 C ATOM 56 NZ LYS A 4 -12.311 7.748 2.097 1.00 10.00 N ATOM 0 H LYS A 4 -7.349 10.268 1.163 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.737 7.383 1.214 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.739 9.044 -0.324 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.275 7.432 -0.832 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.175 6.993 0.467 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.888 6.722 1.625 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -9.862 8.264 2.969 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.393 9.492 1.810 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.744 9.781 2.093 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.573 8.975 0.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -13.308 8.012 1.965 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -12.107 6.884 1.555 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.130 7.574 3.106 1.00 10.00 H new ATOM 70 N ALA A 5 -5.020 7.610 -0.592 1.00 10.00 N ATOM 71 CA ALA A 5 -4.016 7.650 -1.640 1.00 10.00 C ATOM 72 C ALA A 5 -3.951 6.308 -2.379 1.00 10.00 C ATOM 73 O ALA A 5 -4.297 5.272 -1.802 1.00 10.00 O ATOM 74 CB ALA A 5 -2.673 8.041 -1.033 1.00 10.00 C ATOM 0 H ALA A 5 -4.938 6.796 0.018 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.285 8.402 -2.382 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.915 8.073 -1.816 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.756 9.024 -0.568 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.386 7.307 -0.280 1.00 10.00 H new ATOM 80 N GLU A 6 -3.520 6.326 -3.646 1.00 10.00 N ATOM 81 CA GLU A 6 -3.341 5.144 -4.475 1.00 10.00 C ATOM 82 C GLU A 6 -1.894 5.028 -4.879 1.00 10.00 C ATOM 83 O GLU A 6 -1.242 6.047 -5.109 1.00 10.00 O ATOM 84 CB GLU A 6 -4.133 5.287 -5.766 1.00 10.00 C ATOM 85 CG GLU A 6 -5.448 4.539 -5.674 1.00 10.00 C ATOM 86 CD GLU A 6 -5.376 3.208 -6.417 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.299 3.255 -7.664 1.00 10.00 O ATOM 88 OE2 GLU A 6 -5.351 2.167 -5.726 1.00 10.00 O ATOM 0 H GLU A 6 -3.281 7.192 -4.130 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.672 4.277 -3.903 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.322 6.341 -5.967 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.548 4.903 -6.602 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.697 4.362 -4.628 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.248 5.150 -6.093 1.00 10.00 H new ATOM 95 N PHE A 7 -1.445 3.787 -5.042 1.00 10.00 N ATOM 96 CA PHE A 7 -0.066 3.446 -5.317 1.00 10.00 C ATOM 97 C PHE A 7 -0.023 2.403 -6.429 1.00 10.00 C ATOM 98 O PHE A 7 -0.872 1.510 -6.470 1.00 10.00 O ATOM 99 CB PHE A 7 0.641 2.942 -4.047 1.00 10.00 C ATOM 100 CG PHE A 7 0.386 3.721 -2.770 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.873 3.660 -2.152 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.421 4.439 -2.145 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.169 4.487 -1.062 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.156 5.149 -0.960 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.147 5.217 -0.445 1.00 10.00 C ATOM 0 H PHE A 7 -2.055 2.971 -4.983 1.00 10.00 H new ATOM 0 HA PHE A 7 0.469 4.337 -5.646 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.343 1.907 -3.880 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.715 2.938 -4.234 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.618 2.970 -2.520 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.413 4.445 -2.572 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.183 4.561 -0.698 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.963 5.646 -0.442 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.360 5.827 0.420 1.00 10.00 H new ATOM 115 N ASP A 8 0.959 2.545 -7.321 1.00 10.00 N ATOM 116 CA ASP A 8 1.133 1.742 -8.522 1.00 10.00 C ATOM 117 C ASP A 8 2.262 0.730 -8.282 1.00 10.00 C ATOM 118 O ASP A 8 3.285 1.094 -7.693 1.00 10.00 O ATOM 119 CB ASP A 8 1.433 2.697 -9.685 1.00 10.00 C ATOM 120 CG ASP A 8 1.125 2.071 -11.033 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.313 0.843 -11.142 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.681 2.840 -11.914 1.00 10.00 O ATOM 0 H ASP A 8 1.684 3.255 -7.217 1.00 10.00 H new ATOM 0 HA ASP A 8 0.237 1.173 -8.769 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.846 3.608 -9.566 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.483 2.988 -9.653 1.00 10.00 H new ATOM 127 N ILE A 9 2.027 -0.546 -8.612 1.00 10.00 N ATOM 128 CA ILE A 9 2.812 -1.700 -8.193 1.00 10.00 C ATOM 129 C ILE A 9 3.471 -2.354 -9.408 1.00 10.00 C ATOM 130 O ILE A 9 2.812 -2.553 -10.423 1.00 10.00 O ATOM 131 CB ILE A 9 1.907 -2.737 -7.485 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.610 -2.180 -6.876 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.725 -3.431 -6.395 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.896 -1.167 -5.784 1.00 10.00 C ATOM 0 H ILE A 9 1.243 -0.808 -9.209 1.00 10.00 H new ATOM 0 HA ILE A 9 3.581 -1.360 -7.499 1.00 10.00 H new ATOM 0 HB ILE A 9 1.578 -3.427 -8.262 1.00 10.00 H new ATOM 0 HG12 ILE A 9 0.011 -1.713 -7.658 1.00 10.00 H new ATOM 0 HG13 ILE A 9 0.018 -2.999 -6.467 1.00 10.00 H new ATOM 0 HG21 ILE A 9 2.102 -4.166 -5.885 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.582 -3.932 -6.846 1.00 10.00 H new ATOM 0 HG23 ILE A 9 3.075 -2.691 -5.676 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.044 -0.795 -5.377 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.473 -1.641 -4.990 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.466 -0.336 -6.199 1.00 10.00 H new ATOM 146 N GLU A 10 4.745 -2.740 -9.282 1.00 10.00 N ATOM 147 CA GLU A 10 5.488 -3.449 -10.311 1.00 10.00 C ATOM 148 C GLU A 10 6.092 -4.702 -9.685 1.00 10.00 C ATOM 149 O GLU A 10 7.102 -4.606 -8.987 1.00 10.00 O ATOM 150 CB GLU A 10 6.582 -2.523 -10.864 1.00 10.00 C ATOM 151 CG GLU A 10 6.055 -1.633 -12.001 1.00 10.00 C ATOM 152 CD GLU A 10 6.487 -2.155 -13.367 1.00 10.00 C ATOM 153 OE1 GLU A 10 6.327 -3.374 -13.587 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.013 -1.331 -14.149 1.00 10.00 O ATOM 0 H GLU A 10 5.294 -2.561 -8.441 1.00 10.00 H new ATOM 0 HA GLU A 10 4.838 -3.742 -11.136 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.968 -1.896 -10.060 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.416 -3.123 -11.229 1.00 10.00 H new ATOM 0 HG2 GLU A 10 4.967 -1.589 -11.955 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.421 -0.615 -11.867 1.00 10.00 H new ATOM 251 N ASN A 19 -2.373 -9.795 -1.004 1.00 10.00 N ATOM 252 CA ASN A 19 -2.820 -10.037 0.361 1.00 10.00 C ATOM 253 C ASN A 19 -1.780 -9.669 1.433 1.00 10.00 C ATOM 254 O ASN A 19 -2.123 -9.266 2.541 1.00 10.00 O ATOM 255 CB ASN A 19 -3.258 -11.492 0.500 1.00 10.00 C ATOM 256 CG ASN A 19 -3.853 -11.777 1.866 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.496 -12.760 2.511 1.00 10.00 O ATOM 258 ND2 ASN A 19 -4.764 -10.935 2.325 1.00 10.00 N ATOM 0 HA ASN A 19 -3.664 -9.372 0.542 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.992 -11.725 -0.271 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.402 -12.146 0.333 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.191 -11.093 3.238 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -5.040 -10.128 1.766 1.00 10.00 H new ATOM 265 N ARG A 20 -0.489 -9.819 1.131 1.00 10.00 N ATOM 266 CA ARG A 20 0.604 -9.467 2.019 1.00 10.00 C ATOM 267 C ARG A 20 0.568 -7.957 2.254 1.00 10.00 C ATOM 268 O ARG A 20 0.711 -7.504 3.394 1.00 10.00 O ATOM 269 CB ARG A 20 1.946 -9.884 1.387 1.00 10.00 C ATOM 270 CG ARG A 20 2.847 -10.699 2.322 1.00 10.00 C ATOM 271 CD ARG A 20 2.487 -12.191 2.310 1.00 10.00 C ATOM 272 NE ARG A 20 3.531 -12.976 2.992 1.00 10.00 N ATOM 273 CZ ARG A 20 3.882 -14.243 2.705 1.00 10.00 C ATOM 274 NH1 ARG A 20 3.161 -14.963 1.840 1.00 10.00 N ATOM 275 NH2 ARG A 20 4.960 -14.782 3.289 1.00 10.00 N ATOM 0 H ARG A 20 -0.174 -10.199 0.238 1.00 10.00 H new ATOM 0 HA ARG A 20 0.500 -9.988 2.971 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.747 -10.469 0.489 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.482 -8.989 1.072 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.888 -10.575 2.022 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.759 -10.313 3.338 1.00 10.00 H new ATOM 0 HD2 ARG A 20 1.527 -12.344 2.803 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.376 -12.537 1.282 1.00 10.00 H new ATOM 0 HE ARG A 20 4.034 -12.517 3.751 1.00 10.00 H new ATOM 0 HH11 ARG A 20 2.341 -14.552 1.394 1.00 10.00 H new ATOM 0 HH12 ARG A 20 3.431 -15.923 1.626 1.00 10.00 H new ATOM 0 HH21 ARG A 20 5.511 -14.233 3.948 1.00 10.00 H new ATOM 0 HH22 ARG A 20 5.230 -15.742 3.075 1.00 10.00 H new ATOM 289 N ILE A 21 0.399 -7.197 1.162 1.00 10.00 N ATOM 290 CA ILE A 21 0.395 -5.736 1.186 1.00 10.00 C ATOM 291 C ILE A 21 -0.505 -5.239 2.312 1.00 10.00 C ATOM 292 O ILE A 21 -0.065 -4.418 3.107 1.00 10.00 O ATOM 293 CB ILE A 21 -0.037 -5.081 -0.143 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.334 -5.867 -1.394 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.496 -3.643 -0.263 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.823 -6.172 -1.535 1.00 10.00 C ATOM 0 H ILE A 21 0.260 -7.588 0.230 1.00 10.00 H new ATOM 0 HA ILE A 21 1.430 -5.438 1.352 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.126 -5.074 -0.095 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -0.217 -6.807 -1.393 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.007 -5.306 -2.270 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.172 -3.213 -1.211 1.00 10.00 H new ATOM 0 HG22 ILE A 21 0.109 -3.042 0.559 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.585 -3.654 -0.223 1.00 10.00 H new ATOM 0 HD11 ILE A 21 1.994 -6.734 -2.453 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.384 -5.238 -1.571 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.156 -6.762 -0.681 1.00 10.00 H new ATOM 308 N GLU A 22 -1.732 -5.766 2.407 1.00 10.00 N ATOM 309 CA GLU A 22 -2.696 -5.410 3.443 1.00 10.00 C ATOM 310 C GLU A 22 -2.037 -5.339 4.823 1.00 10.00 C ATOM 311 O GLU A 22 -2.127 -4.328 5.511 1.00 10.00 O ATOM 312 CB GLU A 22 -3.839 -6.432 3.476 1.00 10.00 C ATOM 313 CG GLU A 22 -4.632 -6.501 2.167 1.00 10.00 C ATOM 314 CD GLU A 22 -5.740 -7.540 2.278 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.618 -7.340 3.143 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.660 -8.541 1.534 1.00 10.00 O ATOM 0 H GLU A 22 -2.084 -6.464 1.752 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.091 -4.424 3.200 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.429 -7.418 3.696 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.518 -6.180 4.291 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.060 -5.525 1.941 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.966 -6.756 1.343 1.00 10.00 H new ATOM 323 N LYS A 23 -1.360 -6.414 5.233 1.00 10.00 N ATOM 324 CA LYS A 23 -0.723 -6.524 6.533 1.00 10.00 C ATOM 325 C LYS A 23 0.491 -5.604 6.583 1.00 10.00 C ATOM 326 O LYS A 23 0.696 -4.890 7.566 1.00 10.00 O ATOM 327 CB LYS A 23 -0.333 -7.989 6.803 1.00 10.00 C ATOM 328 CG LYS A 23 -1.070 -8.537 8.034 1.00 10.00 C ATOM 329 CD LYS A 23 -0.740 -10.019 8.264 1.00 10.00 C ATOM 330 CE LYS A 23 -1.582 -10.921 7.344 1.00 10.00 C ATOM 331 NZ LYS A 23 -1.040 -12.291 7.248 1.00 10.00 N ATOM 0 H LYS A 23 -1.241 -7.245 4.654 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.418 -6.215 7.314 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.570 -8.599 5.931 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.744 -8.060 6.958 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.792 -7.959 8.915 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.145 -8.417 7.901 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.320 -10.192 8.078 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.928 -10.280 9.306 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.605 -10.963 7.719 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.625 -10.480 6.348 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.642 -12.859 6.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -0.074 -12.256 6.865 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.023 -12.724 8.193 1.00 10.00 H new ATOM 345 N ARG A 24 1.306 -5.632 5.525 1.00 10.00 N ATOM 346 CA ARG A 24 2.474 -4.759 5.436 1.00 10.00 C ATOM 347 C ARG A 24 2.103 -3.279 5.593 1.00 10.00 C ATOM 348 O ARG A 24 2.884 -2.506 6.136 1.00 10.00 O ATOM 349 CB ARG A 24 3.204 -5.036 4.121 1.00 10.00 C ATOM 350 CG ARG A 24 3.990 -6.346 4.237 1.00 10.00 C ATOM 351 CD ARG A 24 5.380 -6.092 4.839 1.00 10.00 C ATOM 352 NE ARG A 24 6.116 -7.346 5.064 1.00 10.00 N ATOM 353 CZ ARG A 24 5.898 -8.184 6.088 1.00 10.00 C ATOM 354 NH1 ARG A 24 4.898 -7.938 6.942 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.671 -9.264 6.254 1.00 10.00 N ATOM 0 H ARG A 24 1.177 -6.248 4.722 1.00 10.00 H new ATOM 0 HA ARG A 24 3.146 -4.981 6.265 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.488 -5.101 3.302 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.880 -4.213 3.888 1.00 10.00 H new ATOM 0 HG2 ARG A 24 3.441 -7.051 4.861 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.092 -6.803 3.253 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.953 -5.449 4.171 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.275 -5.558 5.783 1.00 10.00 H new ATOM 0 HE ARG A 24 6.843 -7.596 4.394 1.00 10.00 H new ATOM 0 HH11 ARG A 24 4.307 -7.117 6.812 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.727 -8.571 7.723 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.430 -9.453 5.600 1.00 10.00 H new ATOM 0 HH22 ARG A 24 6.501 -9.898 7.035 1.00 10.00 H new ATOM 369 N LEU A 25 0.913 -2.900 5.139 1.00 10.00 N ATOM 370 CA LEU A 25 0.343 -1.575 5.293 1.00 10.00 C ATOM 371 C LEU A 25 -0.358 -1.401 6.633 1.00 10.00 C ATOM 372 O LEU A 25 -0.310 -0.320 7.202 1.00 10.00 O ATOM 373 CB LEU A 25 -0.640 -1.341 4.155 1.00 10.00 C ATOM 374 CG LEU A 25 0.096 -0.683 2.979 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.557 -1.135 1.677 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.081 0.821 3.132 1.00 10.00 C ATOM 0 H LEU A 25 0.297 -3.537 4.633 1.00 10.00 H new ATOM 0 HA LEU A 25 1.151 -0.844 5.263 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.082 -2.286 3.840 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.458 -0.703 4.490 1.00 10.00 H new ATOM 0 HG LEU A 25 1.152 -0.954 2.966 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.043 -0.674 0.833 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.490 -2.220 1.594 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.605 -0.834 1.672 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.428 1.332 2.315 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.143 1.067 3.109 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.345 1.143 4.082 1.00 10.00 H new ATOM 388 N ASN A 26 -1.009 -2.439 7.153 1.00 10.00 N ATOM 389 CA ASN A 26 -1.651 -2.394 8.465 1.00 10.00 C ATOM 390 C ASN A 26 -0.633 -1.977 9.536 1.00 10.00 C ATOM 391 O ASN A 26 -0.960 -1.290 10.497 1.00 10.00 O ATOM 392 CB ASN A 26 -2.314 -3.744 8.777 1.00 10.00 C ATOM 393 CG ASN A 26 -3.371 -3.666 9.878 1.00 10.00 C ATOM 394 OD1 ASN A 26 -3.391 -2.756 10.694 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.285 -4.631 9.904 1.00 10.00 N ATOM 0 H ASN A 26 -1.106 -3.336 6.677 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.441 -1.643 8.462 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.775 -4.131 7.869 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.545 -4.457 9.073 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.018 -4.620 10.613 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.253 -5.383 9.215 1.00 10.00 H new ATOM 402 N LYS A 27 0.635 -2.352 9.334 1.00 10.00 N ATOM 403 CA LYS A 27 1.755 -1.851 10.139 1.00 10.00 C ATOM 404 C LYS A 27 1.821 -0.331 10.278 1.00 10.00 C ATOM 405 O LYS A 27 2.337 0.157 11.280 1.00 10.00 O ATOM 406 CB LYS A 27 3.083 -2.402 9.598 1.00 10.00 C ATOM 407 CG LYS A 27 3.597 -3.574 10.435 1.00 10.00 C ATOM 408 CD LYS A 27 2.460 -4.579 10.650 1.00 10.00 C ATOM 409 CE LYS A 27 2.968 -5.970 11.019 1.00 10.00 C ATOM 410 NZ LYS A 27 3.622 -5.985 12.345 1.00 10.00 N ATOM 0 H LYS A 27 0.914 -3.012 8.608 1.00 10.00 H new ATOM 0 HA LYS A 27 1.575 -2.219 11.149 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.949 -2.725 8.566 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.829 -1.607 9.589 1.00 10.00 H new ATOM 0 HG2 LYS A 27 4.434 -4.057 9.931 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.967 -3.215 11.395 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.803 -4.215 11.440 1.00 10.00 H new ATOM 0 HD3 LYS A 27 1.861 -4.644 9.742 1.00 10.00 H new ATOM 0 HE2 LYS A 27 2.135 -6.673 11.017 1.00 10.00 H new ATOM 0 HE3 LYS A 27 3.674 -6.311 10.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 3.953 -6.948 12.558 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 4.433 -5.334 12.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.941 -5.684 13.071 1.00 10.00 H new ATOM 424 N ILE A 28 1.329 0.421 9.298 1.00 10.00 N ATOM 425 CA ILE A 28 1.192 1.857 9.449 1.00 10.00 C ATOM 426 C ILE A 28 0.231 2.164 10.597 1.00 10.00 C ATOM 427 O ILE A 28 -0.985 2.076 10.461 1.00 10.00 O ATOM 428 CB ILE A 28 0.727 2.497 8.136 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.712 2.251 6.982 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.402 3.983 8.341 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.192 2.299 7.361 1.00 10.00 C ATOM 0 H ILE A 28 1.021 0.057 8.396 1.00 10.00 H new ATOM 0 HA ILE A 28 2.163 2.288 9.692 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.197 2.004 7.834 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.498 1.275 6.546 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.529 2.994 6.206 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.074 4.417 7.397 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.392 4.083 9.081 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.292 4.505 8.691 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.800 2.113 6.476 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.432 3.282 7.766 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.400 1.536 8.111 1.00 10.00 H new ATOM 443 N GLU A 29 0.785 2.589 11.726 1.00 10.00 N ATOM 444 CA GLU A 29 -0.025 2.896 12.902 1.00 10.00 C ATOM 445 C GLU A 29 -1.083 3.980 12.621 1.00 10.00 C ATOM 446 O GLU A 29 -2.132 3.984 13.259 1.00 10.00 O ATOM 447 CB GLU A 29 0.854 3.223 14.117 1.00 10.00 C ATOM 448 CG GLU A 29 1.467 1.945 14.710 1.00 10.00 C ATOM 449 CD GLU A 29 2.160 2.211 16.042 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.457 2.681 16.961 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.373 1.921 16.122 1.00 10.00 O ATOM 0 H GLU A 29 1.787 2.729 11.854 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.586 1.996 13.152 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.648 3.909 13.822 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.259 3.731 14.875 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.685 1.199 14.850 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.185 1.526 14.005 1.00 10.00 H new ATOM 458 N GLY A 30 -0.858 4.869 11.642 1.00 10.00 N ATOM 459 CA GLY A 30 -1.820 5.901 11.283 1.00 10.00 C ATOM 460 C GLY A 30 -2.793 5.455 10.192 1.00 10.00 C ATOM 461 O GLY A 30 -3.408 6.306 9.542 1.00 10.00 O ATOM 0 H GLY A 30 -0.005 4.886 11.083 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.384 6.189 12.170 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.284 6.788 10.944 1.00 10.00 H new ATOM 465 N VAL A 31 -2.928 4.148 9.951 1.00 10.00 N ATOM 466 CA VAL A 31 -3.809 3.629 8.925 1.00 10.00 C ATOM 467 C VAL A 31 -5.244 3.630 9.438 1.00 10.00 C ATOM 468 O VAL A 31 -5.491 3.540 10.639 1.00 10.00 O ATOM 469 CB VAL A 31 -3.338 2.230 8.493 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.776 1.126 9.464 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.746 1.896 7.060 1.00 10.00 C ATOM 0 H VAL A 31 -2.425 3.427 10.468 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.778 4.266 8.041 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.249 2.267 8.524 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.414 0.162 9.106 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.361 1.325 10.452 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.864 1.105 9.525 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -3.390 0.898 6.803 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.832 1.927 6.974 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -3.308 2.624 6.378 1.00 10.00 H new ATOM 481 N ALA A 32 -6.183 3.707 8.503 1.00 10.00 N ATOM 482 CA ALA A 32 -7.578 3.374 8.728 1.00 10.00 C ATOM 483 C ALA A 32 -7.915 2.131 7.919 1.00 10.00 C ATOM 484 O ALA A 32 -8.301 1.122 8.501 1.00 10.00 O ATOM 485 CB ALA A 32 -8.475 4.547 8.353 1.00 10.00 C ATOM 0 H ALA A 32 -5.989 4.009 7.548 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.749 3.168 9.785 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.517 4.279 8.528 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.216 5.413 8.962 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.335 4.790 7.300 1.00 10.00 H new ATOM 491 N ASN A 33 -7.764 2.189 6.588 1.00 10.00 N ATOM 492 CA ASN A 33 -8.096 1.057 5.729 1.00 10.00 C ATOM 493 C ASN A 33 -6.978 0.851 4.715 1.00 10.00 C ATOM 494 O ASN A 33 -6.261 1.790 4.378 1.00 10.00 O ATOM 495 CB ASN A 33 -9.437 1.282 5.016 1.00 10.00 C ATOM 496 CG ASN A 33 -10.572 1.629 5.974 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.970 0.808 6.793 1.00 10.00 O ATOM 498 ND2 ASN A 33 -11.116 2.837 5.880 1.00 10.00 N ATOM 0 H ASN A 33 -7.415 3.008 6.090 1.00 10.00 H new ATOM 0 HA ASN A 33 -8.196 0.163 6.344 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.325 2.086 4.289 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.701 0.383 4.459 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.884 3.100 6.498 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.766 3.502 5.190 1.00 10.00 H new ATOM 505 N ALA A 34 -6.843 -0.373 4.204 1.00 10.00 N ATOM 506 CA ALA A 34 -5.931 -0.692 3.113 1.00 10.00 C ATOM 507 C ALA A 34 -6.596 -1.687 2.153 1.00 10.00 C ATOM 508 O ALA A 34 -6.157 -2.830 2.053 1.00 10.00 O ATOM 509 CB ALA A 34 -4.615 -1.212 3.699 1.00 10.00 C ATOM 0 H ALA A 34 -7.371 -1.178 4.542 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.700 0.198 2.528 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.926 -1.453 2.889 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.172 -0.446 4.336 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.808 -2.107 4.290 1.00 10.00 H new ATOM 515 N PRO A 35 -7.676 -1.287 1.460 1.00 10.00 N ATOM 516 CA PRO A 35 -8.432 -2.173 0.588 1.00 10.00 C ATOM 517 C PRO A 35 -7.690 -2.338 -0.743 1.00 10.00 C ATOM 518 O PRO A 35 -8.130 -1.842 -1.777 1.00 10.00 O ATOM 519 CB PRO A 35 -9.794 -1.486 0.435 1.00 10.00 C ATOM 520 CG PRO A 35 -9.429 -0.002 0.483 1.00 10.00 C ATOM 521 CD PRO A 35 -8.289 0.032 1.501 1.00 10.00 C ATOM 0 HA PRO A 35 -8.555 -3.183 0.980 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.279 -1.753 -0.504 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.479 -1.761 1.237 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.112 0.369 -0.492 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.272 0.612 0.799 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.565 0.807 1.250 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.664 0.257 2.499 1.00 10.00 H new ATOM 529 N VAL A 36 -6.541 -3.011 -0.714 1.00 10.00 N ATOM 530 CA VAL A 36 -5.693 -3.160 -1.886 1.00 10.00 C ATOM 531 C VAL A 36 -6.339 -4.055 -2.941 1.00 10.00 C ATOM 532 O VAL A 36 -7.148 -4.925 -2.613 1.00 10.00 O ATOM 533 CB VAL A 36 -4.317 -3.697 -1.483 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.741 -2.933 -0.286 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.371 -5.190 -1.158 1.00 10.00 C ATOM 0 H VAL A 36 -6.176 -3.466 0.123 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.566 -2.174 -2.333 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.661 -3.548 -2.341 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.764 -3.342 -0.029 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.637 -1.879 -0.543 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.412 -3.033 0.567 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.377 -5.537 -0.876 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -5.062 -5.358 -0.332 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.713 -5.741 -2.034 1.00 10.00 H new ATOM 545 N ASN A 37 -5.947 -3.878 -4.205 1.00 10.00 N ATOM 546 CA ASN A 37 -6.533 -4.647 -5.296 1.00 10.00 C ATOM 547 C ASN A 37 -5.658 -5.846 -5.667 1.00 10.00 C ATOM 548 O ASN A 37 -4.435 -5.741 -5.733 1.00 10.00 O ATOM 549 CB ASN A 37 -6.781 -3.744 -6.499 1.00 10.00 C ATOM 550 CG ASN A 37 -7.669 -2.557 -6.135 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.776 -2.740 -5.639 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.202 -1.341 -6.385 1.00 10.00 N ATOM 0 H ASN A 37 -5.230 -3.212 -4.493 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.491 -5.044 -4.961 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.828 -3.382 -6.886 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.251 -4.320 -7.297 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.768 -0.522 -6.164 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.277 -1.225 -6.798 1.00 10.00 H new ATOM 559 N PHE A 38 -6.298 -6.989 -5.932 1.00 10.00 N ATOM 560 CA PHE A 38 -5.667 -8.288 -6.153 1.00 10.00 C ATOM 561 C PHE A 38 -5.974 -8.799 -7.564 1.00 10.00 C ATOM 562 O PHE A 38 -6.347 -9.951 -7.755 1.00 10.00 O ATOM 563 CB PHE A 38 -6.136 -9.258 -5.054 1.00 10.00 C ATOM 564 CG PHE A 38 -7.629 -9.233 -4.773 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.156 -8.306 -3.853 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.496 -10.104 -5.459 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.544 -8.226 -3.648 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.883 -10.034 -5.242 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.409 -9.091 -4.342 1.00 10.00 C ATOM 0 H PHE A 38 -7.315 -7.033 -6.001 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.582 -8.202 -6.088 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.852 -10.271 -5.338 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.604 -9.024 -4.132 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.492 -7.655 -3.304 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -8.095 -10.827 -6.153 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.947 -7.500 -2.957 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.546 -10.706 -5.768 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.476 -9.031 -4.184 1.00 10.00 H new ATOM 579 N ALA A 39 -5.797 -7.923 -8.556 1.00 10.00 N ATOM 580 CA ALA A 39 -6.069 -8.177 -9.971 1.00 10.00 C ATOM 581 C ALA A 39 -5.649 -6.964 -10.798 1.00 10.00 C ATOM 582 O ALA A 39 -5.098 -7.088 -11.886 1.00 10.00 O ATOM 583 CB ALA A 39 -7.562 -8.443 -10.186 1.00 10.00 C ATOM 0 H ALA A 39 -5.446 -6.980 -8.388 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.502 -9.053 -10.286 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.750 -8.630 -11.243 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.864 -9.314 -9.604 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.136 -7.574 -9.864 1.00 10.00 H new ATOM 589 N LEU A 40 -5.959 -5.779 -10.270 1.00 10.00 N ATOM 590 CA LEU A 40 -5.830 -4.509 -10.961 1.00 10.00 C ATOM 591 C LEU A 40 -4.389 -3.982 -10.913 1.00 10.00 C ATOM 592 O LEU A 40 -4.030 -3.105 -11.691 1.00 10.00 O ATOM 593 CB LEU A 40 -6.802 -3.512 -10.314 1.00 10.00 C ATOM 594 CG LEU A 40 -8.221 -4.063 -10.052 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.116 -2.929 -9.547 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.825 -4.742 -11.283 1.00 10.00 C ATOM 0 H LEU A 40 -6.317 -5.681 -9.320 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.076 -4.643 -12.014 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.378 -3.176 -9.368 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.882 -2.635 -10.957 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.149 -4.838 -9.289 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.119 -3.313 -9.360 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.704 -2.525 -8.622 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.163 -2.141 -10.298 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.822 -5.111 -11.043 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.891 -4.023 -12.100 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.193 -5.577 -11.585 1.00 10.00 H new ATOM 608 N GLU A 41 -3.595 -4.500 -9.968 1.00 10.00 N ATOM 609 CA GLU A 41 -2.227 -4.080 -9.674 1.00 10.00 C ATOM 610 C GLU A 41 -2.213 -2.616 -9.245 1.00 10.00 C ATOM 611 O GLU A 41 -1.424 -1.807 -9.726 1.00 10.00 O ATOM 612 CB GLU A 41 -1.239 -4.392 -10.814 1.00 10.00 C ATOM 613 CG GLU A 41 -0.999 -5.901 -10.954 1.00 10.00 C ATOM 614 CD GLU A 41 0.297 -6.219 -11.691 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.274 -6.142 -12.937 1.00 10.00 O ATOM 616 OE2 GLU A 41 1.283 -6.550 -10.992 1.00 10.00 O ATOM 0 H GLU A 41 -3.907 -5.258 -9.362 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.864 -4.676 -8.836 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.628 -3.996 -11.752 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.291 -3.888 -10.624 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.971 -6.355 -9.963 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.836 -6.351 -11.487 1.00 10.00 H new ATOM 623 N THR A 42 -3.080 -2.302 -8.282 1.00 10.00 N ATOM 624 CA THR A 42 -3.169 -1.005 -7.648 1.00 10.00 C ATOM 625 C THR A 42 -3.414 -1.234 -6.157 1.00 10.00 C ATOM 626 O THR A 42 -4.308 -1.988 -5.769 1.00 10.00 O ATOM 627 CB THR A 42 -4.289 -0.185 -8.301 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.449 -0.975 -8.479 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.854 0.359 -9.665 1.00 10.00 C ATOM 0 H THR A 42 -3.757 -2.971 -7.917 1.00 10.00 H new ATOM 0 HA THR A 42 -2.248 -0.436 -7.772 1.00 10.00 H new ATOM 0 HB THR A 42 -4.508 0.648 -7.634 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.152 -0.434 -8.895 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.668 0.936 -10.103 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.982 1.000 -9.540 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.602 -0.472 -10.324 1.00 10.00 H new ATOM 637 N VAL A 43 -2.584 -0.628 -5.314 1.00 10.00 N ATOM 638 CA VAL A 43 -2.794 -0.626 -3.877 1.00 10.00 C ATOM 639 C VAL A 43 -3.479 0.690 -3.535 1.00 10.00 C ATOM 640 O VAL A 43 -3.005 1.750 -3.933 1.00 10.00 O ATOM 641 CB VAL A 43 -1.445 -0.797 -3.168 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.418 -0.309 -1.721 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.974 -2.255 -3.235 1.00 10.00 C ATOM 0 H VAL A 43 -1.748 -0.125 -5.611 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.424 -1.451 -3.545 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.757 -0.153 -3.715 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.425 -0.470 -1.301 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.657 0.754 -1.691 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.153 -0.862 -1.137 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.015 -2.351 -2.725 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.709 -2.897 -2.750 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.863 -2.554 -4.277 1.00 10.00 H new ATOM 653 N THR A 44 -4.564 0.602 -2.770 1.00 10.00 N ATOM 654 CA THR A 44 -5.340 1.715 -2.264 1.00 10.00 C ATOM 655 C THR A 44 -5.119 1.768 -0.753 1.00 10.00 C ATOM 656 O THR A 44 -5.303 0.741 -0.098 1.00 10.00 O ATOM 657 CB THR A 44 -6.819 1.422 -2.561 1.00 10.00 C ATOM 658 OG1 THR A 44 -7.090 1.366 -3.946 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.714 2.471 -1.915 1.00 10.00 C ATOM 0 H THR A 44 -4.940 -0.299 -2.474 1.00 10.00 H new ATOM 0 HA THR A 44 -5.051 2.662 -2.721 1.00 10.00 H new ATOM 0 HB THR A 44 -7.033 0.441 -2.137 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.274 1.573 -4.448 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.757 2.246 -2.137 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.563 2.463 -0.836 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.464 3.456 -2.309 1.00 10.00 H new ATOM 667 N VAL A 45 -4.746 2.926 -0.187 1.00 10.00 N ATOM 668 CA VAL A 45 -4.631 3.084 1.261 1.00 10.00 C ATOM 669 C VAL A 45 -5.432 4.291 1.737 1.00 10.00 C ATOM 670 O VAL A 45 -5.362 5.356 1.127 1.00 10.00 O ATOM 671 CB VAL A 45 -3.162 3.221 1.676 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.017 3.078 3.198 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.323 2.143 0.989 1.00 10.00 C ATOM 0 H VAL A 45 -4.519 3.767 -0.718 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.041 2.191 1.733 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.811 4.208 1.375 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.967 3.178 3.474 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.598 3.855 3.694 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.382 2.099 3.508 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.280 2.247 1.289 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.688 1.158 1.280 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.402 2.254 -0.092 1.00 10.00 H new ATOM 683 N GLU A 46 -6.140 4.114 2.855 1.00 10.00 N ATOM 684 CA GLU A 46 -6.716 5.176 3.664 1.00 10.00 C ATOM 685 C GLU A 46 -5.880 5.271 4.943 1.00 10.00 C ATOM 686 O GLU A 46 -5.991 4.403 5.811 1.00 10.00 O ATOM 687 CB GLU A 46 -8.198 4.886 3.950 1.00 10.00 C ATOM 688 CG GLU A 46 -8.950 6.089 4.543 1.00 10.00 C ATOM 689 CD GLU A 46 -10.456 5.951 4.330 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.899 4.805 4.114 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.153 6.989 4.328 1.00 10.00 O ATOM 0 H GLU A 46 -6.332 3.186 3.232 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.691 6.134 3.144 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.687 4.581 3.024 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.270 4.045 4.640 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.735 6.167 5.609 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.596 7.009 4.078 1.00 10.00 H new ATOM 698 N TYR A 47 -5.024 6.293 5.052 1.00 10.00 N ATOM 699 CA TYR A 47 -4.168 6.519 6.213 1.00 10.00 C ATOM 700 C TYR A 47 -4.054 8.013 6.471 1.00 10.00 C ATOM 701 O TYR A 47 -4.431 8.811 5.619 1.00 10.00 O ATOM 702 CB TYR A 47 -2.773 5.898 6.025 1.00 10.00 C ATOM 703 CG TYR A 47 -1.819 6.695 5.151 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.932 6.682 3.747 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.894 7.564 5.761 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.166 7.572 2.970 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.201 8.512 4.994 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.343 8.519 3.598 1.00 10.00 C ATOM 709 OH TYR A 47 0.311 9.453 2.855 1.00 10.00 O ATOM 0 H TYR A 47 -4.908 6.996 4.322 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.624 6.030 7.074 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.317 5.767 7.006 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.891 4.904 5.593 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.607 5.989 3.266 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.717 7.500 6.825 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.212 7.526 1.892 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.440 9.235 5.477 1.00 10.00 H new ATOM 0 HH TYR A 47 0.836 10.032 3.446 1.00 10.00 H new ATOM 719 N ASN A 48 -3.535 8.395 7.636 1.00 10.00 N ATOM 720 CA ASN A 48 -3.350 9.799 7.993 1.00 10.00 C ATOM 721 C ASN A 48 -1.863 10.176 7.969 1.00 10.00 C ATOM 722 O ASN A 48 -1.047 9.435 8.523 1.00 10.00 O ATOM 723 CB ASN A 48 -3.999 10.090 9.351 1.00 10.00 C ATOM 724 CG ASN A 48 -3.144 9.688 10.543 1.00 10.00 C ATOM 725 OD1 ASN A 48 -2.187 10.360 10.875 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.479 8.612 11.232 1.00 10.00 N ATOM 0 H ASN A 48 -3.232 7.741 8.358 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.847 10.423 7.250 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -4.218 11.156 9.417 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.952 9.565 9.407 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.933 8.339 12.049 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.284 8.054 10.947 1.00 10.00 H new ATOM 733 N PRO A 49 -1.477 11.313 7.367 1.00 10.00 N ATOM 734 CA PRO A 49 -0.098 11.777 7.370 1.00 10.00 C ATOM 735 C PRO A 49 0.254 12.418 8.721 1.00 10.00 C ATOM 736 O PRO A 49 0.592 13.598 8.780 1.00 10.00 O ATOM 737 CB PRO A 49 -0.014 12.763 6.198 1.00 10.00 C ATOM 738 CG PRO A 49 -1.412 13.378 6.176 1.00 10.00 C ATOM 739 CD PRO A 49 -2.308 12.201 6.563 1.00 10.00 C ATOM 0 HA PRO A 49 0.625 10.970 7.247 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.757 13.516 6.357 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.221 12.259 5.261 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.502 14.203 6.882 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.665 13.772 5.192 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.176 12.540 7.127 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.684 11.689 5.677 1.00 10.00 H new ATOM 747 N LYS A 50 0.196 11.634 9.802 1.00 10.00 N ATOM 748 CA LYS A 50 0.703 12.027 11.120 1.00 10.00 C ATOM 749 C LYS A 50 1.713 10.985 11.606 1.00 10.00 C ATOM 750 O LYS A 50 2.798 11.338 12.063 1.00 10.00 O ATOM 751 CB LYS A 50 -0.450 12.314 12.115 1.00 10.00 C ATOM 752 CG LYS A 50 -0.649 11.261 13.219 1.00 10.00 C ATOM 753 CD LYS A 50 -1.952 11.476 13.999 1.00 10.00 C ATOM 754 CE LYS A 50 -2.162 10.216 14.848 1.00 10.00 C ATOM 755 NZ LYS A 50 -3.383 10.227 15.666 1.00 10.00 N ATOM 0 H LYS A 50 -0.209 10.698 9.786 1.00 10.00 H new ATOM 0 HA LYS A 50 1.236 12.975 11.045 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.268 13.280 12.587 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.379 12.405 11.552 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -0.655 10.266 12.773 1.00 10.00 H new ATOM 0 HG3 LYS A 50 0.195 11.296 13.908 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -1.885 12.362 14.630 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.790 11.631 13.320 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.190 9.349 14.188 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.301 10.088 15.505 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -3.447 9.341 16.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -3.353 11.032 16.324 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.214 10.316 15.048 1.00 10.00 H new ATOM 769 N GLU A 51 1.346 9.703 11.505 1.00 10.00 N ATOM 770 CA GLU A 51 2.069 8.601 12.117 1.00 10.00 C ATOM 771 C GLU A 51 3.124 8.063 11.146 1.00 10.00 C ATOM 772 O GLU A 51 4.290 7.924 11.504 1.00 10.00 O ATOM 773 CB GLU A 51 1.058 7.507 12.510 1.00 10.00 C ATOM 774 CG GLU A 51 1.188 7.079 13.976 1.00 10.00 C ATOM 775 CD GLU A 51 0.402 8.011 14.887 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.960 9.058 15.274 1.00 10.00 O ATOM 777 OE2 GLU A 51 -0.787 7.701 15.121 1.00 10.00 O ATOM 0 H GLU A 51 0.521 9.405 10.984 1.00 10.00 H new ATOM 0 HA GLU A 51 2.589 8.940 13.013 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.047 7.872 12.331 1.00 10.00 H new ATOM 0 HB3 GLU A 51 1.202 6.638 11.868 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.825 6.058 14.094 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.238 7.080 14.267 1.00 10.00 H new ATOM 784 N ALA A 52 2.696 7.750 9.918 1.00 10.00 N ATOM 785 CA ALA A 52 3.548 7.253 8.846 1.00 10.00 C ATOM 786 C ALA A 52 3.240 8.054 7.574 1.00 10.00 C ATOM 787 O ALA A 52 2.297 8.846 7.572 1.00 10.00 O ATOM 788 CB ALA A 52 3.302 5.769 8.621 1.00 10.00 C ATOM 0 H ALA A 52 1.719 7.840 9.640 1.00 10.00 H new ATOM 0 HA ALA A 52 4.597 7.378 9.113 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.945 5.411 7.817 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.525 5.220 9.536 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.259 5.610 8.348 1.00 10.00 H new ATOM 794 N SER A 53 3.986 7.837 6.485 1.00 10.00 N ATOM 795 CA SER A 53 3.730 8.480 5.200 1.00 10.00 C ATOM 796 C SER A 53 3.869 7.475 4.053 1.00 10.00 C ATOM 797 O SER A 53 4.241 6.322 4.269 1.00 10.00 O ATOM 798 CB SER A 53 4.682 9.672 5.029 1.00 10.00 C ATOM 799 OG SER A 53 6.013 9.223 4.853 1.00 10.00 O ATOM 0 H SER A 53 4.788 7.206 6.475 1.00 10.00 H new ATOM 0 HA SER A 53 2.705 8.850 5.177 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.377 10.268 4.169 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.623 10.320 5.903 1.00 10.00 H new ATOM 0 HG SER A 53 6.607 9.995 4.744 1.00 10.00 H new ATOM 805 N VAL A 54 3.606 7.935 2.822 1.00 10.00 N ATOM 806 CA VAL A 54 3.831 7.185 1.591 1.00 10.00 C ATOM 807 C VAL A 54 5.170 6.446 1.639 1.00 10.00 C ATOM 808 O VAL A 54 5.227 5.248 1.377 1.00 10.00 O ATOM 809 CB VAL A 54 3.766 8.143 0.384 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.269 7.491 -0.914 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.335 8.669 0.204 1.00 10.00 C ATOM 0 H VAL A 54 3.221 8.865 2.657 1.00 10.00 H new ATOM 0 HA VAL A 54 3.049 6.433 1.484 1.00 10.00 H new ATOM 0 HB VAL A 54 4.434 8.977 0.597 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.202 8.209 -1.732 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.306 7.182 -0.787 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.656 6.620 -1.145 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.300 9.344 -0.651 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.658 7.832 0.033 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.029 9.205 1.102 1.00 10.00 H new ATOM 821 N SER A 55 6.243 7.165 1.977 1.00 10.00 N ATOM 822 CA SER A 55 7.588 6.625 2.072 1.00 10.00 C ATOM 823 C SER A 55 7.653 5.372 2.947 1.00 10.00 C ATOM 824 O SER A 55 8.401 4.442 2.631 1.00 10.00 O ATOM 825 CB SER A 55 8.507 7.713 2.628 1.00 10.00 C ATOM 826 OG SER A 55 8.378 8.868 1.820 1.00 10.00 O ATOM 0 H SER A 55 6.193 8.160 2.196 1.00 10.00 H new ATOM 0 HA SER A 55 7.911 6.323 1.076 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.242 7.942 3.660 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.541 7.369 2.634 1.00 10.00 H new ATOM 0 HG SER A 55 8.961 9.576 2.166 1.00 10.00 H new ATOM 832 N ASP A 56 6.894 5.363 4.043 1.00 10.00 N ATOM 833 CA ASP A 56 6.932 4.308 5.038 1.00 10.00 C ATOM 834 C ASP A 56 6.322 3.037 4.446 1.00 10.00 C ATOM 835 O ASP A 56 6.993 2.018 4.280 1.00 10.00 O ATOM 836 CB ASP A 56 6.179 4.798 6.279 1.00 10.00 C ATOM 837 CG ASP A 56 6.510 3.950 7.492 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.250 2.733 7.417 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.001 4.548 8.471 1.00 10.00 O ATOM 0 H ASP A 56 6.227 6.103 4.262 1.00 10.00 H new ATOM 0 HA ASP A 56 7.954 4.067 5.331 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.438 5.838 6.478 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.106 4.767 6.092 1.00 10.00 H new ATOM 844 N LEU A 57 5.063 3.126 4.015 1.00 10.00 N ATOM 845 CA LEU A 57 4.367 1.974 3.452 1.00 10.00 C ATOM 846 C LEU A 57 5.041 1.492 2.162 1.00 10.00 C ATOM 847 O LEU A 57 5.238 0.291 1.965 1.00 10.00 O ATOM 848 CB LEU A 57 2.865 2.246 3.322 1.00 10.00 C ATOM 849 CG LEU A 57 2.469 3.391 2.372 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.290 2.875 0.940 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.199 4.128 2.823 1.00 10.00 C ATOM 0 H LEU A 57 4.508 3.981 4.046 1.00 10.00 H new ATOM 0 HA LEU A 57 4.449 1.137 4.145 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.378 1.332 2.981 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.469 2.468 4.313 1.00 10.00 H new ATOM 0 HG LEU A 57 3.289 4.109 2.400 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.010 3.702 0.287 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.226 2.438 0.591 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.506 2.117 0.921 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.969 4.924 2.115 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.366 3.426 2.863 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.359 4.557 3.812 1.00 10.00 H new ATOM 863 N LYS A 58 5.466 2.430 1.309 1.00 10.00 N ATOM 864 CA LYS A 58 6.412 2.167 0.244 1.00 10.00 C ATOM 865 C LYS A 58 7.565 1.296 0.715 1.00 10.00 C ATOM 866 O LYS A 58 7.909 0.358 0.011 1.00 10.00 O ATOM 867 CB LYS A 58 6.910 3.493 -0.344 1.00 10.00 C ATOM 868 CG LYS A 58 7.917 3.326 -1.487 1.00 10.00 C ATOM 869 CD LYS A 58 9.298 3.947 -1.202 1.00 10.00 C ATOM 870 CE LYS A 58 10.248 3.086 -0.348 1.00 10.00 C ATOM 871 NZ LYS A 58 10.311 3.494 1.075 1.00 10.00 N ATOM 0 H LYS A 58 5.154 3.400 1.347 1.00 10.00 H new ATOM 0 HA LYS A 58 5.902 1.607 -0.540 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.054 4.062 -0.707 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.371 4.081 0.450 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.044 2.263 -1.693 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.506 3.779 -2.389 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.785 4.160 -2.154 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.151 4.903 -0.699 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.929 2.045 -0.404 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.250 3.135 -0.775 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.771 2.745 1.631 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.859 4.374 1.160 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.348 3.650 1.434 1.00 10.00 H new ATOM 885 N GLU A 59 8.193 1.594 1.855 1.00 10.00 N ATOM 886 CA GLU A 59 9.296 0.788 2.339 1.00 10.00 C ATOM 887 C GLU A 59 8.831 -0.637 2.616 1.00 10.00 C ATOM 888 O GLU A 59 9.514 -1.591 2.259 1.00 10.00 O ATOM 889 CB GLU A 59 9.908 1.414 3.596 1.00 10.00 C ATOM 890 CG GLU A 59 11.411 1.124 3.617 1.00 10.00 C ATOM 891 CD GLU A 59 11.925 0.891 5.030 1.00 10.00 C ATOM 892 OE1 GLU A 59 11.787 -0.261 5.496 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.450 1.869 5.602 1.00 10.00 O ATOM 0 H GLU A 59 7.952 2.385 2.452 1.00 10.00 H new ATOM 0 HA GLU A 59 10.065 0.753 1.568 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.732 2.490 3.605 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.434 1.006 4.489 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.620 0.246 3.006 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.948 1.960 3.169 1.00 10.00 H new ATOM 900 N ALA A 60 7.651 -0.782 3.223 1.00 10.00 N ATOM 901 CA ALA A 60 7.116 -2.101 3.524 1.00 10.00 C ATOM 902 C ALA A 60 7.031 -2.930 2.235 1.00 10.00 C ATOM 903 O ALA A 60 7.512 -4.064 2.179 1.00 10.00 O ATOM 904 CB ALA A 60 5.772 -1.975 4.247 1.00 10.00 C ATOM 0 H ALA A 60 7.056 -0.006 3.512 1.00 10.00 H new ATOM 0 HA ALA A 60 7.784 -2.631 4.203 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.382 -2.969 4.467 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.910 -1.425 5.178 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.066 -1.441 3.612 1.00 10.00 H new ATOM 910 N VAL A 61 6.461 -2.344 1.179 1.00 10.00 N ATOM 911 CA VAL A 61 6.445 -2.967 -0.142 1.00 10.00 C ATOM 912 C VAL A 61 7.857 -3.176 -0.724 1.00 10.00 C ATOM 913 O VAL A 61 8.188 -4.267 -1.185 1.00 10.00 O ATOM 914 CB VAL A 61 5.507 -2.190 -1.075 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.586 -2.759 -2.496 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.060 -2.300 -0.577 1.00 10.00 C ATOM 0 H VAL A 61 6.003 -1.434 1.217 1.00 10.00 H new ATOM 0 HA VAL A 61 6.046 -3.976 -0.039 1.00 10.00 H new ATOM 0 HB VAL A 61 5.816 -1.145 -1.081 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.916 -2.200 -3.150 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.608 -2.674 -2.866 1.00 10.00 H new ATOM 0 HG13 VAL A 61 5.290 -3.808 -2.485 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.402 -1.745 -1.246 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.760 -3.348 -0.559 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.989 -1.885 0.428 1.00 10.00 H new ATOM 926 N ASP A 62 8.716 -2.161 -0.679 1.00 10.00 N ATOM 927 CA ASP A 62 10.065 -2.231 -1.232 1.00 10.00 C ATOM 928 C ASP A 62 10.805 -3.413 -0.596 1.00 10.00 C ATOM 929 O ASP A 62 11.517 -4.161 -1.261 1.00 10.00 O ATOM 930 CB ASP A 62 10.770 -0.884 -1.000 1.00 10.00 C ATOM 931 CG ASP A 62 11.885 -0.610 -1.998 1.00 10.00 C ATOM 932 OD1 ASP A 62 13.021 -1.044 -1.721 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.591 0.087 -2.998 1.00 10.00 O ATOM 0 H ASP A 62 8.494 -1.261 -0.255 1.00 10.00 H new ATOM 0 HA ASP A 62 10.046 -2.405 -2.308 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.034 -0.082 -1.058 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.182 -0.866 0.009 1.00 10.00 H new ATOM 938 N LYS A 63 10.555 -3.624 0.701 1.00 10.00 N ATOM 939 CA LYS A 63 11.156 -4.680 1.487 1.00 10.00 C ATOM 940 C LYS A 63 10.474 -6.030 1.251 1.00 10.00 C ATOM 941 O LYS A 63 11.151 -7.053 1.332 1.00 10.00 O ATOM 942 CB LYS A 63 11.185 -4.275 2.965 1.00 10.00 C ATOM 943 CG LYS A 63 11.999 -5.294 3.778 1.00 10.00 C ATOM 944 CD LYS A 63 12.648 -4.640 5.005 1.00 10.00 C ATOM 945 CE LYS A 63 13.495 -5.637 5.814 1.00 10.00 C ATOM 946 NZ LYS A 63 14.604 -6.215 5.023 1.00 10.00 N ATOM 0 H LYS A 63 9.910 -3.043 1.237 1.00 10.00 H new ATOM 0 HA LYS A 63 12.187 -4.817 1.160 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.623 -3.282 3.069 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.168 -4.217 3.354 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.349 -6.108 4.099 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.771 -5.732 3.146 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.276 -3.810 4.683 1.00 10.00 H new ATOM 0 HD3 LYS A 63 11.871 -4.222 5.645 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.903 -5.134 6.691 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.855 -6.441 6.177 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.240 -6.744 5.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 14.218 -6.857 4.301 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.134 -5.450 4.558 1.00 10.00 H new ATOM 960 N LEU A 64 9.166 -6.071 0.959 1.00 10.00 N ATOM 961 CA LEU A 64 8.568 -7.273 0.394 1.00 10.00 C ATOM 962 C LEU A 64 9.355 -7.747 -0.832 1.00 10.00 C ATOM 963 O LEU A 64 9.618 -8.943 -0.950 1.00 10.00 O ATOM 964 CB LEU A 64 7.111 -7.021 0.003 1.00 10.00 C ATOM 965 CG LEU A 64 6.126 -7.090 1.171 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.867 -6.298 0.796 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.789 -8.550 1.478 1.00 10.00 C ATOM 0 H LEU A 64 8.518 -5.297 1.104 1.00 10.00 H new ATOM 0 HA LEU A 64 8.600 -8.051 1.157 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.037 -6.038 -0.462 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.817 -7.753 -0.749 1.00 10.00 H new ATOM 0 HG LEU A 64 6.567 -6.654 2.067 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.154 -6.337 1.619 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.135 -5.260 0.598 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.416 -6.733 -0.096 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.087 -8.594 2.311 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.339 -9.012 0.599 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.700 -9.086 1.743 1.00 10.00 H new ATOM 979 N GLY A 65 9.721 -6.830 -1.736 1.00 10.00 N ATOM 980 CA GLY A 65 10.629 -7.152 -2.834 1.00 10.00 C ATOM 981 C GLY A 65 10.337 -6.348 -4.097 1.00 10.00 C ATOM 982 O GLY A 65 11.255 -5.939 -4.804 1.00 10.00 O ATOM 0 H GLY A 65 9.401 -5.862 -1.725 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.655 -6.964 -2.518 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.555 -8.216 -3.061 1.00 10.00 H new ATOM 986 N TYR A 66 9.053 -6.158 -4.400 1.00 10.00 N ATOM 987 CA TYR A 66 8.591 -5.393 -5.552 1.00 10.00 C ATOM 988 C TYR A 66 8.429 -3.933 -5.138 1.00 10.00 C ATOM 989 O TYR A 66 8.348 -3.637 -3.950 1.00 10.00 O ATOM 990 CB TYR A 66 7.292 -5.994 -6.109 1.00 10.00 C ATOM 991 CG TYR A 66 6.381 -6.641 -5.087 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.551 -7.998 -4.753 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.458 -5.859 -4.376 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.812 -8.567 -3.702 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.753 -6.418 -3.301 1.00 10.00 C ATOM 996 CZ TYR A 66 4.913 -7.774 -2.974 1.00 10.00 C ATOM 997 OH TYR A 66 4.202 -8.322 -1.948 1.00 10.00 O ATOM 0 H TYR A 66 8.292 -6.540 -3.839 1.00 10.00 H new ATOM 0 HA TYR A 66 9.323 -5.440 -6.358 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.737 -5.206 -6.617 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.551 -6.738 -6.862 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.252 -8.604 -5.307 1.00 10.00 H new ATOM 0 HD2 TYR A 66 5.291 -4.829 -4.656 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.936 -9.611 -3.456 1.00 10.00 H new ATOM 0 HE2 TYR A 66 4.082 -5.802 -2.721 1.00 10.00 H new ATOM 0 HH TYR A 66 4.720 -9.048 -1.542 1.00 10.00 H new ATOM 1007 N LYS A 67 8.424 -3.011 -6.102 1.00 10.00 N ATOM 1008 CA LYS A 67 8.469 -1.586 -5.803 1.00 10.00 C ATOM 1009 C LYS A 67 7.057 -1.013 -5.696 1.00 10.00 C ATOM 1010 O LYS A 67 6.094 -1.597 -6.192 1.00 10.00 O ATOM 1011 CB LYS A 67 9.314 -0.853 -6.857 1.00 10.00 C ATOM 1012 CG LYS A 67 10.257 0.180 -6.222 1.00 10.00 C ATOM 1013 CD LYS A 67 11.227 0.716 -7.281 1.00 10.00 C ATOM 1014 CE LYS A 67 12.365 1.507 -6.619 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.425 1.853 -7.589 1.00 10.00 N ATOM 0 H LYS A 67 8.389 -3.230 -7.098 1.00 10.00 H new ATOM 0 HA LYS A 67 8.947 -1.437 -4.835 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.899 -1.579 -7.422 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.655 -0.354 -7.567 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.679 1.000 -5.796 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.813 -0.277 -5.403 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.639 -0.112 -7.857 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.691 1.356 -7.982 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.965 2.419 -6.176 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.792 0.919 -5.807 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 14.176 2.386 -7.107 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.824 0.982 -7.993 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.022 2.435 -8.351 1.00 10.00 H new ATOM 1029 N LEU A 68 6.967 0.154 -5.055 1.00 10.00 N ATOM 1030 CA LEU A 68 5.744 0.918 -4.874 1.00 10.00 C ATOM 1031 C LEU A 68 6.051 2.381 -5.152 1.00 10.00 C ATOM 1032 O LEU A 68 7.147 2.845 -4.829 1.00 10.00 O ATOM 1033 CB LEU A 68 5.280 0.790 -3.419 1.00 10.00 C ATOM 1034 CG LEU A 68 3.863 1.342 -3.202 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.857 0.441 -3.908 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.504 1.471 -1.727 1.00 10.00 C ATOM 0 H LEU A 68 7.779 0.605 -4.634 1.00 10.00 H new ATOM 0 HA LEU A 68 4.969 0.549 -5.546 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.307 -0.259 -3.124 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.977 1.322 -2.771 1.00 10.00 H new ATOM 0 HG LEU A 68 3.832 2.347 -3.624 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.850 0.830 -3.756 1.00 10.00 H new ATOM 0 HD12 LEU A 68 3.078 0.415 -4.975 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.922 -0.567 -3.499 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.492 1.866 -1.632 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.557 0.491 -1.252 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.205 2.149 -1.240 1.00 10.00 H new ATOM 1048 N LYS A 69 5.071 3.118 -5.675 1.00 10.00 N ATOM 1049 CA LYS A 69 5.070 4.559 -5.707 1.00 10.00 C ATOM 1050 C LYS A 69 3.634 5.040 -5.756 1.00 10.00 C ATOM 1051 O LYS A 69 2.756 4.269 -6.124 1.00 10.00 O ATOM 1052 CB LYS A 69 5.834 5.066 -6.936 1.00 10.00 C ATOM 1053 CG LYS A 69 7.322 5.310 -6.678 1.00 10.00 C ATOM 1054 CD LYS A 69 7.505 6.097 -5.369 1.00 10.00 C ATOM 1055 CE LYS A 69 8.811 6.897 -5.354 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.991 6.017 -5.449 1.00 10.00 N ATOM 0 H LYS A 69 4.238 2.706 -6.097 1.00 10.00 H new ATOM 0 HA LYS A 69 5.563 4.945 -4.815 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.728 4.341 -7.743 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.377 5.994 -7.280 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.850 4.358 -6.617 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.758 5.864 -7.509 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.663 6.776 -5.234 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.495 5.405 -4.527 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.815 7.602 -6.185 1.00 10.00 H new ATOM 0 HE3 LYS A 69 8.868 7.484 -4.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.857 6.589 -5.385 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 9.973 5.327 -4.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.976 5.513 -6.359 1.00 10.00 H new ATOM 1070 N LEU A 70 3.403 6.299 -5.372 1.00 10.00 N ATOM 1071 CA LEU A 70 2.076 6.878 -5.461 1.00 10.00 C ATOM 1072 C LEU A 70 1.685 7.021 -6.926 1.00 10.00 C ATOM 1073 O LEU A 70 2.529 7.219 -7.799 1.00 10.00 O ATOM 1074 CB LEU A 70 2.010 8.256 -4.789 1.00 10.00 C ATOM 1075 CG LEU A 70 0.695 8.542 -4.058 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.584 7.585 -2.871 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.697 9.989 -3.557 1.00 10.00 C ATOM 0 H LEU A 70 4.117 6.926 -5.001 1.00 10.00 H new ATOM 0 HA LEU A 70 1.386 6.213 -4.942 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.832 8.340 -4.078 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.165 9.024 -5.547 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.151 8.400 -4.731 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.347 7.774 -2.337 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.594 6.556 -3.231 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.426 7.742 -2.197 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.238 10.195 -3.036 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.533 10.136 -2.873 1.00 10.00 H new ATOM 0 HD23 LEU A 70 0.797 10.667 -4.404 1.00 10.00 H new ATOM 1089 N LYS A 71 0.383 6.970 -7.148 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.302 7.281 -8.373 1.00 10.00 C ATOM 1091 C LYS A 71 -1.009 8.613 -8.130 1.00 10.00 C ATOM 1092 O LYS A 71 -0.841 9.571 -8.879 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.307 6.147 -8.594 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.155 6.361 -9.839 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.591 5.570 -11.030 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.307 5.905 -12.346 1.00 10.00 C ATOM 1097 NZ LYS A 71 -3.748 5.583 -12.298 1.00 10.00 N ATOM 0 H LYS A 71 -0.266 6.687 -6.413 1.00 10.00 H new ATOM 0 HA LYS A 71 0.345 7.366 -9.246 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.771 5.202 -8.680 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.958 6.067 -7.723 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.181 6.049 -9.643 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -2.186 7.423 -10.084 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.527 5.784 -11.134 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.684 4.502 -10.830 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.181 6.965 -12.566 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.841 5.353 -13.162 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.182 5.794 -13.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -3.871 4.573 -12.081 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -4.207 6.154 -11.560 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.822 8.640 -7.074 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.605 9.779 -6.657 1.00 10.00 C ATOM 1113 C GLY A 72 -3.533 9.278 -5.563 1.00 10.00 C ATOM 1114 O GLY A 72 -3.110 9.128 -4.419 1.00 10.00 O ATOM 0 H GLY A 72 -1.951 7.830 -6.468 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.963 10.578 -6.287 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.173 10.188 -7.493 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.765 8.929 -5.930 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.850 8.720 -4.985 1.00 10.00 C ATOM 1120 C GLU A 73 -6.928 7.831 -5.599 1.00 10.00 C ATOM 1121 O GLU A 73 -7.112 7.831 -6.815 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.391 10.083 -4.526 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.929 10.933 -5.689 1.00 10.00 C ATOM 1124 CD GLU A 73 -6.859 12.420 -5.369 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -7.710 12.872 -4.576 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -5.947 13.072 -5.920 1.00 10.00 O ATOM 0 H GLU A 73 -5.036 8.783 -6.902 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.484 8.195 -4.102 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.187 9.926 -3.798 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.598 10.631 -4.018 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.352 10.726 -6.590 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.961 10.653 -5.899 1.00 10.00 H new