USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 69 SER OG : rot 180:sc= -1.7! USER MOD Set 1.2: A 72 GLN : amide:sc= -0.226 X(o=-1.9,f=-1.7) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -9.01! C(o=-9.1!,f=-9.8!) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.073 K(o=-0.073,f=-0.63) USER MOD Single : A 12 SER OG : rot 180:sc= -0.711! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.552 K(o=-0.55,f=-3.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0772 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.464 F(o=-1,f=-0.46) USER MOD Single : A 40 CYS SG : rot 50:sc= -1.27! USER MOD Single : A 42 THR OG1 : rot -128:sc= 0.869 USER MOD Single : A 47 TYR OH : rot -47:sc= -7.71! USER MOD Single : A 55 GLN : amide:sc= -5.48! C(o=-5.5!,f=-6.5!) USER MOD Single : A 58 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.019) USER MOD Single : A 59 SER OG : rot -81:sc= -4.6! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -119:sc= -1.58 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -55:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.120 3.404 9.020 1.00 0.00 N ATOM 26 CA LYS A 2 -3.771 4.012 8.861 1.00 0.00 C ATOM 27 C LYS A 2 -2.826 2.999 8.217 1.00 0.00 C ATOM 28 O LYS A 2 -2.886 1.817 8.491 1.00 0.00 O ATOM 29 CB LYS A 2 -3.228 4.404 10.234 1.00 0.00 C ATOM 30 CG LYS A 2 -3.204 5.928 10.363 1.00 0.00 C ATOM 31 CD LYS A 2 -2.073 6.341 11.308 1.00 0.00 C ATOM 32 CE LYS A 2 -0.761 6.430 10.527 1.00 0.00 C ATOM 33 NZ LYS A 2 0.246 7.178 11.331 1.00 0.00 N ATOM 0 HA LYS A 2 -3.844 4.896 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.850 3.973 11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.223 4.002 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.059 6.385 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.160 6.287 10.744 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.301 7.303 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.978 5.617 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.391 5.430 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.926 6.932 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.138 7.239 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.107 8.137 11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.411 6.681 12.230 1.00 0.00 H new ATOM 47 N ALA A 3 -1.948 3.454 7.368 1.00 0.00 N ATOM 48 CA ALA A 3 -0.994 2.516 6.715 1.00 0.00 C ATOM 49 C ALA A 3 0.346 3.217 6.510 1.00 0.00 C ATOM 50 O ALA A 3 0.456 4.162 5.757 1.00 0.00 O ATOM 51 CB ALA A 3 -1.551 2.068 5.364 1.00 0.00 C ATOM 0 H ALA A 3 -1.850 4.433 7.098 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.854 1.642 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.849 1.382 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.506 1.564 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.696 2.938 4.724 1.00 0.00 H new ATOM 57 N VAL A 4 1.362 2.762 7.181 1.00 0.00 N ATOM 58 CA VAL A 4 2.699 3.400 7.041 1.00 0.00 C ATOM 59 C VAL A 4 3.655 2.443 6.334 1.00 0.00 C ATOM 60 O VAL A 4 3.998 1.400 6.856 1.00 0.00 O ATOM 61 CB VAL A 4 3.242 3.720 8.432 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.457 4.643 8.312 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.145 4.406 9.249 1.00 0.00 C ATOM 0 H VAL A 4 1.325 1.971 7.824 1.00 0.00 H new ATOM 0 HA VAL A 4 2.609 4.315 6.455 1.00 0.00 H new ATOM 0 HB VAL A 4 3.547 2.799 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.842 4.869 9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.233 4.149 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.163 5.569 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.524 4.638 10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.843 5.328 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.285 3.741 9.334 1.00 0.00 H new ATOM 73 N ILE A 5 4.103 2.787 5.159 1.00 0.00 N ATOM 74 CA ILE A 5 5.048 1.885 4.448 1.00 0.00 C ATOM 75 C ILE A 5 6.474 2.281 4.808 1.00 0.00 C ATOM 76 O ILE A 5 7.069 3.146 4.195 1.00 0.00 O ATOM 77 CB ILE A 5 4.847 1.988 2.939 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.348 1.790 2.627 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.708 0.914 2.255 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.143 0.845 1.434 1.00 0.00 C ATOM 0 H ILE A 5 3.858 3.645 4.665 1.00 0.00 H new ATOM 0 HA ILE A 5 4.861 0.855 4.751 1.00 0.00 H new ATOM 0 HB ILE A 5 5.152 2.965 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.843 1.386 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.889 2.755 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.575 0.975 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.757 1.077 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.403 -0.073 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.077 0.728 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.627 1.263 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.580 -0.128 1.661 1.00 0.00 H new ATOM 92 N ASN A 6 7.020 1.657 5.810 1.00 0.00 N ATOM 93 CA ASN A 6 8.401 1.983 6.237 1.00 0.00 C ATOM 94 C ASN A 6 9.398 1.259 5.329 1.00 0.00 C ATOM 95 O ASN A 6 9.655 0.083 5.487 1.00 0.00 O ATOM 96 CB ASN A 6 8.579 1.521 7.681 1.00 0.00 C ATOM 97 CG ASN A 6 7.698 2.369 8.600 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.696 1.900 9.103 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.030 3.608 8.843 1.00 0.00 N ATOM 0 H ASN A 6 6.562 0.927 6.356 1.00 0.00 H new ATOM 0 HA ASN A 6 8.578 3.056 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.311 0.468 7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.624 1.611 7.977 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.449 4.181 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.871 4.003 8.421 1.00 0.00 H new ATOM 106 N GLY A 7 9.955 1.953 4.374 1.00 0.00 N ATOM 107 CA GLY A 7 10.930 1.306 3.450 1.00 0.00 C ATOM 108 C GLY A 7 12.104 0.739 4.251 1.00 0.00 C ATOM 109 O GLY A 7 12.517 -0.385 4.050 1.00 0.00 O ATOM 0 H GLY A 7 9.777 2.941 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.441 0.509 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.291 2.032 2.721 1.00 0.00 H new ATOM 113 N GLU A 8 12.645 1.509 5.155 1.00 0.00 N ATOM 114 CA GLU A 8 13.794 1.014 5.965 1.00 0.00 C ATOM 115 C GLU A 8 13.523 -0.424 6.413 1.00 0.00 C ATOM 116 O GLU A 8 14.433 -1.192 6.651 1.00 0.00 O ATOM 117 CB GLU A 8 13.969 1.905 7.197 1.00 0.00 C ATOM 118 CG GLU A 8 12.614 2.110 7.877 1.00 0.00 C ATOM 119 CD GLU A 8 12.596 3.468 8.582 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.664 4.018 8.794 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.514 3.935 8.897 1.00 0.00 O ATOM 0 H GLU A 8 12.341 2.459 5.368 1.00 0.00 H new ATOM 0 HA GLU A 8 14.701 1.042 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.671 1.447 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.391 2.867 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.814 2.061 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.432 1.312 8.597 1.00 0.00 H new ATOM 128 N GLN A 9 12.277 -0.791 6.535 1.00 0.00 N ATOM 129 CA GLN A 9 11.945 -2.172 6.974 1.00 0.00 C ATOM 130 C GLN A 9 11.731 -3.072 5.755 1.00 0.00 C ATOM 131 O GLN A 9 12.185 -4.198 5.715 1.00 0.00 O ATOM 132 CB GLN A 9 10.664 -2.131 7.805 1.00 0.00 C ATOM 133 CG GLN A 9 10.855 -1.179 8.987 1.00 0.00 C ATOM 134 CD GLN A 9 11.010 -1.989 10.275 1.00 0.00 C ATOM 135 OE1 GLN A 9 11.572 -3.066 10.266 1.00 0.00 O ATOM 136 NE2 GLN A 9 10.533 -1.512 11.392 1.00 0.00 N ATOM 0 H GLN A 9 11.474 -0.191 6.349 1.00 0.00 H new ATOM 0 HA GLN A 9 12.766 -2.572 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.828 -1.800 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.419 -3.130 8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.736 -0.557 8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.001 -0.507 9.068 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.061 -0.608 11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.632 -2.043 12.257 1.00 0.00 H new ATOM 145 N ILE A 10 11.027 -2.591 4.768 1.00 0.00 N ATOM 146 CA ILE A 10 10.765 -3.422 3.561 1.00 0.00 C ATOM 147 C ILE A 10 12.021 -4.191 3.152 1.00 0.00 C ATOM 148 O ILE A 10 13.083 -3.630 2.969 1.00 0.00 O ATOM 149 CB ILE A 10 10.323 -2.535 2.395 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.923 -1.997 2.666 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.298 -3.367 1.110 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.922 -3.142 2.596 1.00 0.00 C ATOM 0 H ILE A 10 10.621 -1.656 4.746 1.00 0.00 H new ATOM 0 HA ILE A 10 9.974 -4.131 3.805 1.00 0.00 H new ATOM 0 HB ILE A 10 11.020 -1.704 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.886 -1.526 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.668 -1.230 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.984 -2.739 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.295 -3.761 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.598 -4.194 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.919 -2.761 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.954 -3.593 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.175 -3.893 3.344 1.00 0.00 H new ATOM 164 N ARG A 11 11.885 -5.474 2.985 1.00 0.00 N ATOM 165 CA ARG A 11 13.031 -6.314 2.560 1.00 0.00 C ATOM 166 C ARG A 11 12.797 -6.753 1.112 1.00 0.00 C ATOM 167 O ARG A 11 13.681 -7.263 0.452 1.00 0.00 O ATOM 168 CB ARG A 11 13.105 -7.549 3.457 1.00 0.00 C ATOM 169 CG ARG A 11 13.876 -7.213 4.734 1.00 0.00 C ATOM 170 CD ARG A 11 13.693 -8.345 5.749 1.00 0.00 C ATOM 171 NE ARG A 11 14.906 -8.456 6.613 1.00 0.00 N ATOM 172 CZ ARG A 11 16.095 -8.274 6.106 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.377 -8.741 4.921 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.001 -7.626 6.786 1.00 0.00 N ATOM 0 H ARG A 11 11.013 -5.983 3.128 1.00 0.00 H new ATOM 0 HA ARG A 11 13.962 -5.753 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.100 -7.890 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.597 -8.366 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.934 -7.079 4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.517 -6.273 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.814 -8.154 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.519 -9.287 5.229 1.00 0.00 H new ATOM 0 HE ARG A 11 14.805 -8.675 7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.668 -9.248 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.306 -8.599 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.780 -7.262 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.930 -7.483 6.391 1.00 0.00 H new ATOM 188 N SER A 12 11.601 -6.557 0.618 1.00 0.00 N ATOM 189 CA SER A 12 11.282 -6.957 -0.780 1.00 0.00 C ATOM 190 C SER A 12 9.801 -6.672 -1.056 1.00 0.00 C ATOM 191 O SER A 12 9.070 -6.224 -0.188 1.00 0.00 O ATOM 192 CB SER A 12 11.560 -8.449 -0.961 1.00 0.00 C ATOM 193 OG SER A 12 10.680 -8.976 -1.945 1.00 0.00 O ATOM 0 H SER A 12 10.827 -6.133 1.130 1.00 0.00 H new ATOM 0 HA SER A 12 11.901 -6.390 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.596 -8.603 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.422 -8.973 -0.015 1.00 0.00 H new ATOM 0 HG SER A 12 10.858 -9.932 -2.064 1.00 0.00 H new ATOM 199 N ILE A 13 9.346 -6.922 -2.253 1.00 0.00 N ATOM 200 CA ILE A 13 7.915 -6.655 -2.562 1.00 0.00 C ATOM 201 C ILE A 13 7.034 -7.399 -1.559 1.00 0.00 C ATOM 202 O ILE A 13 6.134 -6.831 -0.978 1.00 0.00 O ATOM 203 CB ILE A 13 7.586 -7.122 -3.983 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.224 -6.561 -4.412 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.534 -8.649 -4.020 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.114 -5.081 -4.023 1.00 0.00 C ATOM 0 H ILE A 13 9.899 -7.297 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 13 7.727 -5.584 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 13 8.358 -6.763 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.100 -6.672 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.423 -7.129 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.300 -8.981 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.501 -9.053 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.764 -9.004 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.143 -4.695 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.217 -4.980 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.904 -4.515 -4.517 1.00 0.00 H new ATOM 218 N SER A 14 7.289 -8.660 -1.337 1.00 0.00 N ATOM 219 CA SER A 14 6.462 -9.411 -0.357 1.00 0.00 C ATOM 220 C SER A 14 6.349 -8.569 0.908 1.00 0.00 C ATOM 221 O SER A 14 5.291 -8.423 1.488 1.00 0.00 O ATOM 222 CB SER A 14 7.139 -10.741 -0.027 1.00 0.00 C ATOM 223 OG SER A 14 6.292 -11.502 0.825 1.00 0.00 O ATOM 0 H SER A 14 8.029 -9.197 -1.789 1.00 0.00 H new ATOM 0 HA SER A 14 5.473 -9.612 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.344 -11.295 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.098 -10.563 0.460 1.00 0.00 H new ATOM 0 HG SER A 14 6.723 -12.356 1.037 1.00 0.00 H new ATOM 229 N ASP A 15 7.443 -8.000 1.327 1.00 0.00 N ATOM 230 CA ASP A 15 7.430 -7.151 2.538 1.00 0.00 C ATOM 231 C ASP A 15 6.474 -5.982 2.325 1.00 0.00 C ATOM 232 O ASP A 15 5.692 -5.646 3.186 1.00 0.00 O ATOM 233 CB ASP A 15 8.833 -6.615 2.791 1.00 0.00 C ATOM 234 CG ASP A 15 9.310 -7.066 4.173 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.933 -6.432 5.144 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.045 -8.038 4.236 1.00 0.00 O ATOM 0 H ASP A 15 8.353 -8.091 0.874 1.00 0.00 H new ATOM 0 HA ASP A 15 7.102 -7.740 3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.516 -6.977 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.834 -5.527 2.731 1.00 0.00 H new ATOM 241 N LEU A 16 6.528 -5.361 1.181 1.00 0.00 N ATOM 242 CA LEU A 16 5.615 -4.217 0.915 1.00 0.00 C ATOM 243 C LEU A 16 4.178 -4.670 1.147 1.00 0.00 C ATOM 244 O LEU A 16 3.429 -4.061 1.887 1.00 0.00 O ATOM 245 CB LEU A 16 5.788 -3.769 -0.535 1.00 0.00 C ATOM 246 CG LEU A 16 5.182 -2.377 -0.720 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.721 -1.438 0.362 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.563 -1.835 -2.099 1.00 0.00 C ATOM 0 H LEU A 16 7.164 -5.596 0.419 1.00 0.00 H new ATOM 0 HA LEU A 16 5.847 -3.385 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.846 -3.753 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.304 -4.479 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 16 4.097 -2.440 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.289 -0.446 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.452 -1.823 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.806 -1.375 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.132 -0.843 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.648 -1.772 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.181 -2.503 -2.871 1.00 0.00 H new ATOM 260 N HIS A 17 3.796 -5.744 0.526 1.00 0.00 N ATOM 261 CA HIS A 17 2.422 -6.266 0.702 1.00 0.00 C ATOM 262 C HIS A 17 2.255 -6.750 2.144 1.00 0.00 C ATOM 263 O HIS A 17 1.158 -6.872 2.649 1.00 0.00 O ATOM 264 CB HIS A 17 2.214 -7.422 -0.274 1.00 0.00 C ATOM 265 CG HIS A 17 2.529 -6.947 -1.666 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.907 -5.841 -2.226 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.405 -7.406 -2.620 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.412 -5.673 -3.461 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.328 -6.599 -3.752 1.00 0.00 N ATOM 0 H HIS A 17 4.386 -6.288 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 17 1.685 -5.488 0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.857 -8.261 -0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.186 -7.779 -0.221 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.196 -5.260 -1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.054 -8.262 -2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.113 -4.884 -4.135 1.00 0.00 H new ATOM 277 N GLN A 18 3.341 -7.018 2.815 1.00 0.00 N ATOM 278 CA GLN A 18 3.248 -7.481 4.219 1.00 0.00 C ATOM 279 C GLN A 18 2.760 -6.326 5.095 1.00 0.00 C ATOM 280 O GLN A 18 1.769 -6.435 5.792 1.00 0.00 O ATOM 281 CB GLN A 18 4.627 -7.938 4.699 1.00 0.00 C ATOM 282 CG GLN A 18 4.522 -9.345 5.291 1.00 0.00 C ATOM 283 CD GLN A 18 5.416 -10.301 4.499 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.492 -9.932 4.073 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.012 -11.523 4.281 1.00 0.00 N ATOM 0 H GLN A 18 4.289 -6.935 2.447 1.00 0.00 H new ATOM 0 HA GLN A 18 2.549 -8.315 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.333 -7.933 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.011 -7.245 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.823 -9.333 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.488 -9.688 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.108 -11.833 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.600 -12.168 3.753 1.00 0.00 H new ATOM 294 N THR A 19 3.450 -5.217 5.063 1.00 0.00 N ATOM 295 CA THR A 19 3.031 -4.061 5.888 1.00 0.00 C ATOM 296 C THR A 19 1.661 -3.585 5.396 1.00 0.00 C ATOM 297 O THR A 19 0.798 -3.252 6.176 1.00 0.00 O ATOM 298 CB THR A 19 4.097 -2.945 5.794 1.00 0.00 C ATOM 299 OG1 THR A 19 4.635 -2.714 7.088 1.00 0.00 O ATOM 300 CG2 THR A 19 3.492 -1.632 5.279 1.00 0.00 C ATOM 0 H THR A 19 4.286 -5.067 4.498 1.00 0.00 H new ATOM 0 HA THR A 19 2.944 -4.342 6.937 1.00 0.00 H new ATOM 0 HB THR A 19 4.869 -3.270 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.314 -2.009 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.269 -0.870 5.225 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.070 -1.790 4.287 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.706 -1.302 5.959 1.00 0.00 H new ATOM 308 N LEU A 20 1.447 -3.568 4.109 1.00 0.00 N ATOM 309 CA LEU A 20 0.131 -3.138 3.588 1.00 0.00 C ATOM 310 C LEU A 20 -0.931 -4.078 4.152 1.00 0.00 C ATOM 311 O LEU A 20 -2.029 -3.688 4.469 1.00 0.00 O ATOM 312 CB LEU A 20 0.139 -3.237 2.065 1.00 0.00 C ATOM 313 CG LEU A 20 1.000 -2.119 1.474 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.958 -2.204 -0.050 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.460 -0.758 1.926 1.00 0.00 C ATOM 0 H LEU A 20 2.130 -3.834 3.400 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.080 -2.109 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.527 -4.208 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.879 -3.165 1.682 1.00 0.00 H new ATOM 0 HG LEU A 20 2.028 -2.230 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.570 -1.409 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.344 -3.171 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.071 -2.092 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.075 0.036 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.568 -0.642 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.488 -0.699 3.014 1.00 0.00 H new ATOM 327 N LYS A 21 -0.586 -5.323 4.272 1.00 0.00 N ATOM 328 CA LYS A 21 -1.530 -6.342 4.812 1.00 0.00 C ATOM 329 C LYS A 21 -1.810 -6.060 6.288 1.00 0.00 C ATOM 330 O LYS A 21 -2.925 -6.169 6.744 1.00 0.00 O ATOM 331 CB LYS A 21 -0.904 -7.730 4.673 1.00 0.00 C ATOM 332 CG LYS A 21 -1.744 -8.751 5.444 1.00 0.00 C ATOM 333 CD LYS A 21 -1.436 -10.159 4.928 1.00 0.00 C ATOM 334 CE LYS A 21 -1.795 -11.187 6.002 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.546 -11.759 6.580 1.00 0.00 N ATOM 0 H LYS A 21 0.330 -5.689 4.014 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.466 -6.299 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.847 -8.011 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.116 -7.720 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.526 -8.687 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.805 -8.531 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.002 -10.356 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.380 -10.240 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.389 -10.717 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.406 -11.981 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.790 -12.458 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.004 -12.221 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.020 -10.997 7.005 1.00 0.00 H new ATOM 349 N LYS A 22 -0.811 -5.694 7.042 1.00 0.00 N ATOM 350 CA LYS A 22 -1.045 -5.400 8.475 1.00 0.00 C ATOM 351 C LYS A 22 -1.931 -4.164 8.560 1.00 0.00 C ATOM 352 O LYS A 22 -3.045 -4.201 9.044 1.00 0.00 O ATOM 353 CB LYS A 22 0.289 -5.113 9.160 1.00 0.00 C ATOM 354 CG LYS A 22 0.146 -5.316 10.669 1.00 0.00 C ATOM 355 CD LYS A 22 0.476 -4.010 11.394 1.00 0.00 C ATOM 356 CE LYS A 22 -0.660 -3.658 12.357 1.00 0.00 C ATOM 357 NZ LYS A 22 -0.114 -2.885 13.508 1.00 0.00 N ATOM 0 H LYS A 22 0.153 -5.587 6.725 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.522 -6.249 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.061 -5.774 8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.605 -4.091 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.869 -5.631 10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.814 -6.109 11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.413 -4.113 11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.616 -3.206 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.421 -3.073 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.144 -4.567 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.886 -2.646 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.597 -3.459 14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.329 -2.011 13.160 1.00 0.00 H new ATOM 371 N GLU A 23 -1.433 -3.073 8.061 1.00 0.00 N ATOM 372 CA GLU A 23 -2.204 -1.813 8.057 1.00 0.00 C ATOM 373 C GLU A 23 -3.602 -2.093 7.510 1.00 0.00 C ATOM 374 O GLU A 23 -4.583 -2.095 8.227 1.00 0.00 O ATOM 375 CB GLU A 23 -1.489 -0.827 7.134 1.00 0.00 C ATOM 376 CG GLU A 23 -0.091 -0.531 7.682 1.00 0.00 C ATOM 377 CD GLU A 23 0.789 0.020 6.559 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.284 0.174 5.459 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.954 0.276 6.817 1.00 0.00 O ATOM 0 H GLU A 23 -0.503 -3.004 7.647 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.282 -1.403 9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.416 -1.242 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.063 0.096 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.153 0.190 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.350 -1.439 8.093 1.00 0.00 H new ATOM 386 N LEU A 24 -3.681 -2.339 6.236 1.00 0.00 N ATOM 387 CA LEU A 24 -4.985 -2.637 5.590 1.00 0.00 C ATOM 388 C LEU A 24 -5.628 -3.849 6.267 1.00 0.00 C ATOM 389 O LEU A 24 -6.802 -4.114 6.102 1.00 0.00 O ATOM 390 CB LEU A 24 -4.733 -2.958 4.117 1.00 0.00 C ATOM 391 CG LEU A 24 -4.157 -1.725 3.419 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.921 -2.129 2.614 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.208 -1.134 2.477 1.00 0.00 C ATOM 0 H LEU A 24 -2.881 -2.346 5.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.651 -1.779 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.041 -3.796 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.663 -3.261 3.635 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.879 -0.981 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.509 -1.252 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.172 -2.551 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.200 -2.873 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.798 -0.255 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.486 -1.877 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.090 -0.848 3.050 1.00 0.00 H new ATOM 405 N ALA A 25 -4.866 -4.591 7.022 1.00 0.00 N ATOM 406 CA ALA A 25 -5.427 -5.785 7.700 1.00 0.00 C ATOM 407 C ALA A 25 -6.098 -6.692 6.666 1.00 0.00 C ATOM 408 O ALA A 25 -7.232 -7.100 6.824 1.00 0.00 O ATOM 409 CB ALA A 25 -6.445 -5.327 8.735 1.00 0.00 C ATOM 0 H ALA A 25 -3.876 -4.418 7.197 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.632 -6.344 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.865 -6.196 9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.956 -4.683 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.243 -4.774 8.240 1.00 0.00 H new ATOM 415 N LEU A 26 -5.401 -7.013 5.609 1.00 0.00 N ATOM 416 CA LEU A 26 -5.989 -7.895 4.564 1.00 0.00 C ATOM 417 C LEU A 26 -6.033 -9.334 5.086 1.00 0.00 C ATOM 418 O LEU A 26 -5.328 -9.674 6.016 1.00 0.00 O ATOM 419 CB LEU A 26 -5.117 -7.830 3.309 1.00 0.00 C ATOM 420 CG LEU A 26 -4.759 -6.374 3.015 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.833 -6.312 1.809 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.035 -5.582 2.720 1.00 0.00 C ATOM 0 H LEU A 26 -4.447 -6.701 5.425 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.000 -7.566 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.210 -8.417 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.647 -8.264 2.461 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.257 -5.943 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.578 -5.273 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.923 -6.874 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.334 -6.744 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.778 -4.544 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.539 -6.013 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.698 -5.625 3.584 1.00 0.00 H new ATOM 434 N PRO A 27 -6.861 -10.138 4.471 1.00 0.00 N ATOM 435 CA PRO A 27 -7.014 -11.551 4.858 1.00 0.00 C ATOM 436 C PRO A 27 -5.662 -12.266 4.821 1.00 0.00 C ATOM 437 O PRO A 27 -4.632 -11.666 4.585 1.00 0.00 O ATOM 438 CB PRO A 27 -7.965 -12.142 3.811 1.00 0.00 C ATOM 439 CG PRO A 27 -8.452 -10.980 2.908 1.00 0.00 C ATOM 440 CD PRO A 27 -7.708 -9.709 3.342 1.00 0.00 C ATOM 0 HA PRO A 27 -7.398 -11.662 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.456 -12.901 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.811 -12.631 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.252 -11.201 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.529 -10.845 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.107 -9.304 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.404 -8.926 3.644 1.00 0.00 H new ATOM 448 N GLU A 28 -5.666 -13.549 5.043 1.00 0.00 N ATOM 449 CA GLU A 28 -4.397 -14.324 5.015 1.00 0.00 C ATOM 450 C GLU A 28 -4.021 -14.576 3.566 1.00 0.00 C ATOM 451 O GLU A 28 -2.866 -14.613 3.191 1.00 0.00 O ATOM 452 CB GLU A 28 -4.636 -15.661 5.697 1.00 0.00 C ATOM 453 CG GLU A 28 -5.558 -16.527 4.832 1.00 0.00 C ATOM 454 CD GLU A 28 -5.868 -17.834 5.563 1.00 0.00 C ATOM 455 OE1 GLU A 28 -5.043 -18.257 6.356 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.926 -18.390 5.317 1.00 0.00 O ATOM 0 H GLU A 28 -6.501 -14.098 5.244 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.602 -13.777 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.687 -16.172 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.084 -15.504 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.482 -15.990 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.082 -16.738 3.874 1.00 0.00 H new ATOM 463 N TYR A 29 -5.017 -14.748 2.760 1.00 0.00 N ATOM 464 CA TYR A 29 -4.789 -15.002 1.309 1.00 0.00 C ATOM 465 C TYR A 29 -4.459 -13.687 0.594 1.00 0.00 C ATOM 466 O TYR A 29 -4.464 -13.625 -0.619 1.00 0.00 O ATOM 467 CB TYR A 29 -6.044 -15.625 0.677 1.00 0.00 C ATOM 468 CG TYR A 29 -7.286 -15.081 1.344 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.857 -13.884 0.895 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.865 -15.774 2.415 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.006 -13.381 1.518 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.013 -15.269 3.038 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.583 -14.074 2.589 1.00 0.00 C ATOM 474 OH TYR A 29 -10.715 -13.577 3.203 1.00 0.00 O ATOM 0 H TYR A 29 -5.997 -14.724 3.042 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.953 -15.693 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.070 -15.406 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.012 -16.710 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.412 -13.349 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.426 -16.698 2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.447 -12.458 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.458 -15.802 3.865 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.986 -14.180 3.927 1.00 0.00 H new ATOM 484 N TYR A 30 -4.171 -12.638 1.333 1.00 0.00 N ATOM 485 CA TYR A 30 -3.833 -11.331 0.689 1.00 0.00 C ATOM 486 C TYR A 30 -2.993 -11.590 -0.563 1.00 0.00 C ATOM 487 O TYR A 30 -1.796 -11.786 -0.493 1.00 0.00 O ATOM 488 CB TYR A 30 -3.034 -10.468 1.671 1.00 0.00 C ATOM 489 CG TYR A 30 -2.579 -9.200 0.977 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.373 -8.633 -0.025 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.361 -8.598 1.328 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.954 -7.468 -0.678 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.940 -7.427 0.676 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.739 -6.864 -0.328 1.00 0.00 C ATOM 495 OH TYR A 30 -1.328 -5.715 -0.973 1.00 0.00 O ATOM 0 H TYR A 30 -4.156 -12.634 2.353 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.750 -10.810 0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.648 -10.221 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.171 -11.023 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.311 -9.095 -0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.746 -9.036 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.568 -7.034 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.004 -6.962 0.948 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.465 -5.427 -0.609 1.00 0.00 H new ATOM 505 N GLY A 31 -3.618 -11.607 -1.708 1.00 0.00 N ATOM 506 CA GLY A 31 -2.866 -11.869 -2.966 1.00 0.00 C ATOM 507 C GLY A 31 -1.558 -11.082 -2.961 1.00 0.00 C ATOM 508 O GLY A 31 -0.547 -11.543 -3.451 1.00 0.00 O ATOM 0 H GLY A 31 -4.619 -11.450 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.659 -12.935 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.470 -11.583 -3.827 1.00 0.00 H new ATOM 512 N GLU A 32 -1.576 -9.891 -2.423 1.00 0.00 N ATOM 513 CA GLU A 32 -0.341 -9.054 -2.392 1.00 0.00 C ATOM 514 C GLU A 32 -0.186 -8.340 -3.743 1.00 0.00 C ATOM 515 O GLU A 32 0.606 -7.432 -3.889 1.00 0.00 O ATOM 516 CB GLU A 32 0.883 -9.945 -2.080 1.00 0.00 C ATOM 517 CG GLU A 32 1.777 -10.125 -3.317 1.00 0.00 C ATOM 518 CD GLU A 32 3.025 -10.923 -2.934 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.656 -10.563 -1.954 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.328 -11.880 -3.627 1.00 0.00 O ATOM 0 H GLU A 32 -2.398 -9.460 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.414 -8.300 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.463 -9.499 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.545 -10.920 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.228 -10.644 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.063 -9.152 -3.717 1.00 0.00 H new ATOM 527 N ASN A 33 -0.944 -8.741 -4.726 1.00 0.00 N ATOM 528 CA ASN A 33 -0.844 -8.079 -6.061 1.00 0.00 C ATOM 529 C ASN A 33 -1.663 -6.789 -6.048 1.00 0.00 C ATOM 530 O ASN A 33 -2.253 -6.425 -5.051 1.00 0.00 O ATOM 531 CB ASN A 33 -1.371 -8.996 -7.183 1.00 0.00 C ATOM 532 CG ASN A 33 -2.070 -10.231 -6.607 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.367 -10.227 -6.469 1.00 0.00 O flip ATOM 534 ND2 ASN A 33 -1.427 -11.209 -6.279 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.627 -9.496 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 33 0.207 -7.863 -6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.067 -8.442 -7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.543 -9.307 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.413 -11.212 -6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.902 -12.026 -5.896 1.00 0.00 H new ATOM 541 N LEU A 34 -1.711 -6.103 -7.154 1.00 0.00 N ATOM 542 CA LEU A 34 -2.501 -4.843 -7.220 1.00 0.00 C ATOM 543 C LEU A 34 -3.975 -5.196 -7.339 1.00 0.00 C ATOM 544 O LEU A 34 -4.831 -4.559 -6.778 1.00 0.00 O ATOM 545 CB LEU A 34 -2.092 -4.059 -8.456 1.00 0.00 C ATOM 546 CG LEU A 34 -0.689 -3.491 -8.266 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.409 -2.474 -9.370 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.593 -2.807 -6.900 1.00 0.00 C ATOM 0 H LEU A 34 -1.235 -6.361 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.322 -4.248 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.117 -4.706 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.800 -3.250 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 34 0.044 -4.297 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.592 -2.063 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.478 -2.963 -10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.141 -1.668 -9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.410 -2.402 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.322 -1.998 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.799 -3.534 -6.114 1.00 0.00 H new ATOM 560 N ASP A 35 -4.266 -6.210 -8.081 1.00 0.00 N ATOM 561 CA ASP A 35 -5.675 -6.637 -8.256 1.00 0.00 C ATOM 562 C ASP A 35 -6.283 -6.960 -6.891 1.00 0.00 C ATOM 563 O ASP A 35 -7.440 -6.690 -6.628 1.00 0.00 O ATOM 564 CB ASP A 35 -5.688 -7.901 -9.100 1.00 0.00 C ATOM 565 CG ASP A 35 -5.345 -7.558 -10.550 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.251 -7.196 -11.283 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.182 -7.663 -10.904 1.00 0.00 O ATOM 0 H ASP A 35 -3.581 -6.774 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.247 -5.843 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.969 -8.620 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.669 -8.373 -9.050 1.00 0.00 H new ATOM 572 N ALA A 36 -5.505 -7.543 -6.023 1.00 0.00 N ATOM 573 CA ALA A 36 -6.026 -7.903 -4.674 1.00 0.00 C ATOM 574 C ALA A 36 -6.018 -6.669 -3.795 1.00 0.00 C ATOM 575 O ALA A 36 -7.028 -6.265 -3.255 1.00 0.00 O ATOM 576 CB ALA A 36 -5.133 -8.964 -4.041 1.00 0.00 C ATOM 0 H ALA A 36 -4.529 -7.787 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.040 -8.291 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.519 -9.223 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.121 -9.853 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.119 -8.575 -3.943 1.00 0.00 H new ATOM 582 N LEU A 37 -4.878 -6.062 -3.662 1.00 0.00 N ATOM 583 CA LEU A 37 -4.775 -4.835 -2.835 1.00 0.00 C ATOM 584 C LEU A 37 -5.970 -3.948 -3.165 1.00 0.00 C ATOM 585 O LEU A 37 -6.725 -3.523 -2.310 1.00 0.00 O ATOM 586 CB LEU A 37 -3.480 -4.109 -3.202 1.00 0.00 C ATOM 587 CG LEU A 37 -3.568 -2.644 -2.768 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.652 -2.564 -1.243 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.328 -1.888 -3.252 1.00 0.00 C ATOM 0 H LEU A 37 -4.006 -6.366 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.768 -5.075 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.631 -4.591 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.310 -4.170 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.459 -2.193 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.715 -1.520 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.538 -3.097 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.763 -3.018 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.393 -0.845 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.435 -2.340 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.272 -1.940 -4.339 1.00 0.00 H new ATOM 601 N TRP A 38 -6.133 -3.686 -4.420 1.00 0.00 N ATOM 602 CA TRP A 38 -7.255 -2.855 -4.885 1.00 0.00 C ATOM 603 C TRP A 38 -8.549 -3.481 -4.429 1.00 0.00 C ATOM 604 O TRP A 38 -9.345 -2.874 -3.744 1.00 0.00 O ATOM 605 CB TRP A 38 -7.260 -2.820 -6.408 1.00 0.00 C ATOM 606 CG TRP A 38 -8.390 -1.969 -6.854 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.631 -2.413 -7.092 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.407 -0.544 -7.094 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.423 -1.344 -7.480 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.704 -0.163 -7.495 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.425 0.440 -7.004 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.009 1.165 -7.798 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.713 1.764 -7.298 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.006 2.138 -7.697 1.00 0.00 C ATOM 0 H TRP A 38 -5.518 -4.023 -5.161 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.151 -1.847 -4.483 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.316 -2.423 -6.781 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.363 -3.828 -6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.961 -3.437 -6.997 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.411 -1.419 -7.724 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.425 0.168 -6.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.007 1.439 -8.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.938 2.512 -7.220 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.226 3.170 -7.925 1.00 0.00 H new ATOM 625 N ASP A 39 -8.759 -4.703 -4.809 1.00 0.00 N ATOM 626 CA ASP A 39 -10.003 -5.399 -4.406 1.00 0.00 C ATOM 627 C ASP A 39 -10.270 -5.098 -2.933 1.00 0.00 C ATOM 628 O ASP A 39 -11.396 -5.103 -2.477 1.00 0.00 O ATOM 629 CB ASP A 39 -9.832 -6.902 -4.602 1.00 0.00 C ATOM 630 CG ASP A 39 -10.360 -7.303 -5.980 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.421 -6.442 -6.843 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.695 -8.464 -6.150 1.00 0.00 O ATOM 0 H ASP A 39 -8.120 -5.252 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.840 -5.056 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.780 -7.173 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.369 -7.444 -3.824 1.00 0.00 H new ATOM 637 N CYS A 40 -9.232 -4.826 -2.189 1.00 0.00 N ATOM 638 CA CYS A 40 -9.409 -4.513 -0.750 1.00 0.00 C ATOM 639 C CYS A 40 -9.839 -3.050 -0.580 1.00 0.00 C ATOM 640 O CYS A 40 -10.793 -2.753 0.111 1.00 0.00 O ATOM 641 CB CYS A 40 -8.085 -4.744 -0.024 1.00 0.00 C ATOM 642 SG CYS A 40 -7.514 -6.433 -0.334 1.00 0.00 S ATOM 0 H CYS A 40 -8.268 -4.808 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.180 -5.159 -0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.339 -4.028 -0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.212 -4.582 1.046 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.545 -6.674 -1.611 1.00 0.00 H new ATOM 648 N LEU A 41 -9.141 -2.128 -1.193 1.00 0.00 N ATOM 649 CA LEU A 41 -9.509 -0.699 -1.044 1.00 0.00 C ATOM 650 C LEU A 41 -10.947 -0.466 -1.516 1.00 0.00 C ATOM 651 O LEU A 41 -11.754 0.119 -0.822 1.00 0.00 O ATOM 652 CB LEU A 41 -8.566 0.155 -1.890 1.00 0.00 C ATOM 653 CG LEU A 41 -7.111 -0.235 -1.620 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.203 0.590 -2.524 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.765 0.045 -0.155 1.00 0.00 C ATOM 0 H LEU A 41 -8.333 -2.309 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.428 -0.423 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.795 0.023 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.715 1.210 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.971 -1.297 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.163 0.320 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.450 0.391 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.345 1.650 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.728 -0.234 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.899 1.106 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.421 -0.538 0.492 1.00 0.00 H new ATOM 667 N THR A 42 -11.261 -0.897 -2.705 1.00 0.00 N ATOM 668 CA THR A 42 -12.623 -0.684 -3.250 1.00 0.00 C ATOM 669 C THR A 42 -13.663 -1.458 -2.435 1.00 0.00 C ATOM 670 O THR A 42 -14.850 -1.322 -2.654 1.00 0.00 O ATOM 671 CB THR A 42 -12.660 -1.147 -4.706 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.972 -2.385 -4.827 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.986 -0.092 -5.587 1.00 0.00 C ATOM 0 H THR A 42 -10.622 -1.393 -3.327 1.00 0.00 H new ATOM 0 HA THR A 42 -12.863 0.378 -3.191 1.00 0.00 H new ATOM 0 HB THR A 42 -13.694 -1.279 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.310 -2.323 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.010 -0.417 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.517 0.855 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.951 0.038 -5.271 1.00 0.00 H new ATOM 681 N GLY A 43 -13.245 -2.268 -1.498 1.00 0.00 N ATOM 682 CA GLY A 43 -14.254 -3.026 -0.698 1.00 0.00 C ATOM 683 C GLY A 43 -13.572 -3.916 0.346 1.00 0.00 C ATOM 684 O GLY A 43 -13.555 -5.125 0.223 1.00 0.00 O ATOM 0 H GLY A 43 -12.269 -2.436 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.928 -2.328 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.863 -3.640 -1.362 1.00 0.00 H new ATOM 688 N TRP A 44 -13.028 -3.333 1.380 1.00 0.00 N ATOM 689 CA TRP A 44 -12.368 -4.146 2.439 1.00 0.00 C ATOM 690 C TRP A 44 -11.730 -3.218 3.474 1.00 0.00 C ATOM 691 O TRP A 44 -12.071 -3.242 4.640 1.00 0.00 O ATOM 692 CB TRP A 44 -11.288 -5.025 1.815 1.00 0.00 C ATOM 693 CG TRP A 44 -10.658 -5.861 2.880 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.569 -5.506 3.597 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.058 -7.175 3.365 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.271 -6.519 4.490 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.161 -7.570 4.386 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.101 -8.055 3.022 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.293 -8.794 5.043 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.237 -9.288 3.682 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.335 -9.656 4.690 1.00 0.00 C ATOM 0 H TRP A 44 -13.013 -2.325 1.536 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.113 -4.776 2.924 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.722 -5.663 1.045 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.534 -4.406 1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.021 -4.582 3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.490 -6.493 5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.801 -7.781 2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.595 -9.073 5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.041 -9.956 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.445 -10.605 5.194 1.00 0.00 H new ATOM 712 N VAL A 45 -10.801 -2.405 3.056 1.00 0.00 N ATOM 713 CA VAL A 45 -10.132 -1.480 4.004 1.00 0.00 C ATOM 714 C VAL A 45 -11.138 -0.442 4.506 1.00 0.00 C ATOM 715 O VAL A 45 -12.165 -0.216 3.897 1.00 0.00 O ATOM 716 CB VAL A 45 -8.978 -0.771 3.293 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.142 -0.003 4.318 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.094 -1.807 2.589 1.00 0.00 C ATOM 0 H VAL A 45 -10.476 -2.343 2.091 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.745 -2.046 4.851 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.380 -0.076 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.320 0.502 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.768 0.735 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.741 -0.699 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.272 -1.300 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.693 -2.503 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.688 -2.355 1.858 1.00 0.00 H new ATOM 728 N GLU A 46 -10.852 0.197 5.609 1.00 0.00 N ATOM 729 CA GLU A 46 -11.796 1.222 6.138 1.00 0.00 C ATOM 730 C GLU A 46 -11.205 2.616 5.927 1.00 0.00 C ATOM 731 O GLU A 46 -10.067 2.879 6.263 1.00 0.00 O ATOM 732 CB GLU A 46 -12.038 0.993 7.631 1.00 0.00 C ATOM 733 CG GLU A 46 -10.794 0.371 8.268 1.00 0.00 C ATOM 734 CD GLU A 46 -11.054 0.119 9.754 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.071 -0.480 10.064 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.233 0.529 10.557 1.00 0.00 O ATOM 0 H GLU A 46 -10.008 0.054 6.164 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.744 1.140 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.274 1.938 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.897 0.337 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.545 -0.565 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.939 1.035 8.145 1.00 0.00 H new ATOM 743 N TYR A 47 -11.976 3.507 5.371 1.00 0.00 N ATOM 744 CA TYR A 47 -11.482 4.892 5.120 1.00 0.00 C ATOM 745 C TYR A 47 -12.276 5.868 6.004 1.00 0.00 C ATOM 746 O TYR A 47 -13.267 5.476 6.588 1.00 0.00 O ATOM 747 CB TYR A 47 -11.689 5.213 3.633 1.00 0.00 C ATOM 748 CG TYR A 47 -10.729 4.395 2.785 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.682 3.678 3.378 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.892 4.352 1.399 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.805 2.929 2.587 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.017 3.596 0.612 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.975 2.887 1.205 1.00 0.00 C ATOM 754 OH TYR A 47 -8.114 2.143 0.426 1.00 0.00 O ATOM 0 H TYR A 47 -12.937 3.335 5.076 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.423 4.983 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.717 4.995 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.527 6.276 3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.552 3.704 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.695 4.904 0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.995 2.383 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.150 3.562 -0.459 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.189 2.330 0.691 1.00 0.00 H new ATOM 764 N PRO A 48 -11.830 7.107 6.102 1.00 0.00 N ATOM 765 CA PRO A 48 -10.626 7.625 5.407 1.00 0.00 C ATOM 766 C PRO A 48 -9.362 6.877 5.832 1.00 0.00 C ATOM 767 O PRO A 48 -9.113 6.664 7.001 1.00 0.00 O ATOM 768 CB PRO A 48 -10.530 9.097 5.833 1.00 0.00 C ATOM 769 CG PRO A 48 -11.710 9.391 6.791 1.00 0.00 C ATOM 770 CD PRO A 48 -12.525 8.099 6.941 1.00 0.00 C ATOM 0 HA PRO A 48 -10.708 7.498 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.579 9.290 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.574 9.750 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.341 9.725 7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.334 10.192 6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.565 7.777 7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.554 8.242 6.612 1.00 0.00 H new ATOM 778 N LEU A 49 -8.561 6.482 4.880 1.00 0.00 N ATOM 779 CA LEU A 49 -7.306 5.748 5.203 1.00 0.00 C ATOM 780 C LEU A 49 -6.114 6.661 4.947 1.00 0.00 C ATOM 781 O LEU A 49 -6.160 7.536 4.112 1.00 0.00 O ATOM 782 CB LEU A 49 -7.202 4.519 4.285 1.00 0.00 C ATOM 783 CG LEU A 49 -5.740 4.114 4.053 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.148 3.546 5.344 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.675 3.058 2.945 1.00 0.00 C ATOM 0 H LEU A 49 -8.724 6.638 3.885 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.314 5.436 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.746 3.685 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.677 4.737 3.328 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.165 4.990 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.110 3.260 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.192 4.302 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.720 2.670 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.637 2.769 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.252 2.183 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.089 3.470 2.025 1.00 0.00 H new ATOM 797 N VAL A 50 -5.029 6.427 5.621 1.00 0.00 N ATOM 798 CA VAL A 50 -3.824 7.248 5.364 1.00 0.00 C ATOM 799 C VAL A 50 -2.742 6.300 4.847 1.00 0.00 C ATOM 800 O VAL A 50 -2.512 5.250 5.407 1.00 0.00 O ATOM 801 CB VAL A 50 -3.362 7.950 6.662 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.907 7.582 7.003 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.463 9.466 6.476 1.00 0.00 C ATOM 0 H VAL A 50 -4.925 5.706 6.335 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.033 8.029 4.633 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.004 7.621 7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.609 8.090 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.828 6.504 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.253 7.891 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.139 9.967 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.826 9.774 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.496 9.738 6.261 1.00 0.00 H new ATOM 813 N LEU A 51 -2.055 6.664 3.814 1.00 0.00 N ATOM 814 CA LEU A 51 -0.976 5.778 3.320 1.00 0.00 C ATOM 815 C LEU A 51 0.330 6.536 3.444 1.00 0.00 C ATOM 816 O LEU A 51 0.852 7.067 2.485 1.00 0.00 O ATOM 817 CB LEU A 51 -1.201 5.369 1.862 1.00 0.00 C ATOM 818 CG LEU A 51 -0.096 4.387 1.459 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.326 3.049 2.157 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.113 4.159 -0.049 1.00 0.00 C ATOM 0 H LEU A 51 -2.190 7.530 3.291 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.961 4.862 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.181 4.906 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.183 6.246 1.215 1.00 0.00 H new ATOM 0 HG LEU A 51 0.866 4.807 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.460 2.350 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.307 3.194 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.295 2.647 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.678 3.459 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.078 3.748 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.050 5.107 -0.562 1.00 0.00 H new ATOM 832 N GLU A 52 0.857 6.597 4.629 1.00 0.00 N ATOM 833 CA GLU A 52 2.124 7.327 4.834 1.00 0.00 C ATOM 834 C GLU A 52 3.255 6.455 4.304 1.00 0.00 C ATOM 835 O GLU A 52 3.892 5.711 5.026 1.00 0.00 O ATOM 836 CB GLU A 52 2.304 7.595 6.329 1.00 0.00 C ATOM 837 CG GLU A 52 3.595 8.384 6.558 1.00 0.00 C ATOM 838 CD GLU A 52 3.754 8.681 8.050 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.926 9.402 8.582 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.702 8.183 8.635 1.00 0.00 O ATOM 0 H GLU A 52 0.461 6.170 5.466 1.00 0.00 H new ATOM 0 HA GLU A 52 2.122 8.282 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.451 8.154 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.340 6.653 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.451 7.814 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.570 9.315 5.992 1.00 0.00 H new ATOM 847 N TRP A 53 3.483 6.534 3.024 1.00 0.00 N ATOM 848 CA TRP A 53 4.545 5.716 2.392 1.00 0.00 C ATOM 849 C TRP A 53 5.904 6.370 2.642 1.00 0.00 C ATOM 850 O TRP A 53 6.267 7.331 1.994 1.00 0.00 O ATOM 851 CB TRP A 53 4.280 5.640 0.890 1.00 0.00 C ATOM 852 CG TRP A 53 4.883 4.390 0.347 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.177 4.029 0.498 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.247 3.333 -0.428 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.379 2.820 -0.137 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.221 2.350 -0.723 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.934 3.130 -0.904 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.909 1.212 -1.458 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.620 1.978 -1.649 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.609 1.025 -1.923 1.00 0.00 C ATOM 0 H TRP A 53 2.970 7.140 2.383 1.00 0.00 H new ATOM 0 HA TRP A 53 4.546 4.712 2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.207 5.654 0.697 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.705 6.510 0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.929 4.594 1.028 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.275 2.333 -0.169 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.167 3.861 -0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.671 0.476 -1.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.613 1.828 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.363 0.143 -2.496 1.00 0.00 H new ATOM 871 N ARG A 54 6.659 5.862 3.575 1.00 0.00 N ATOM 872 CA ARG A 54 7.990 6.465 3.858 1.00 0.00 C ATOM 873 C ARG A 54 9.045 5.795 2.979 1.00 0.00 C ATOM 874 O ARG A 54 8.949 4.626 2.664 1.00 0.00 O ATOM 875 CB ARG A 54 8.343 6.256 5.332 1.00 0.00 C ATOM 876 CG ARG A 54 9.359 7.313 5.769 1.00 0.00 C ATOM 877 CD ARG A 54 8.661 8.371 6.625 1.00 0.00 C ATOM 878 NE ARG A 54 9.539 8.743 7.769 1.00 0.00 N ATOM 879 CZ ARG A 54 9.293 9.824 8.457 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.784 10.969 8.070 1.00 0.00 N ATOM 881 NH2 ARG A 54 8.555 9.760 9.532 1.00 0.00 N ATOM 0 H ARG A 54 6.413 5.058 4.152 1.00 0.00 H new ATOM 0 HA ARG A 54 7.961 7.533 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.444 6.325 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.755 5.258 5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.165 6.846 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.813 7.779 4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.438 9.252 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.710 7.987 6.993 1.00 0.00 H new ATOM 0 HE ARG A 54 10.333 8.152 8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.360 11.019 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.592 11.814 8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.171 8.865 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.363 10.605 10.070 1.00 0.00 H new ATOM 895 N GLN A 55 10.049 6.527 2.580 1.00 0.00 N ATOM 896 CA GLN A 55 11.111 5.934 1.720 1.00 0.00 C ATOM 897 C GLN A 55 10.596 5.823 0.277 1.00 0.00 C ATOM 898 O GLN A 55 10.900 6.648 -0.560 1.00 0.00 O ATOM 899 CB GLN A 55 11.485 4.550 2.264 1.00 0.00 C ATOM 900 CG GLN A 55 12.840 4.130 1.704 1.00 0.00 C ATOM 901 CD GLN A 55 13.491 3.119 2.648 1.00 0.00 C ATOM 902 OE1 GLN A 55 13.792 3.434 3.782 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.723 1.906 2.226 1.00 0.00 N ATOM 0 H GLN A 55 10.179 7.511 2.813 1.00 0.00 H new ATOM 0 HA GLN A 55 11.997 6.569 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.522 4.574 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.724 3.821 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.716 3.691 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.484 5.002 1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.471 1.640 1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.157 1.224 2.848 1.00 0.00 H new ATOM 912 N PHE A 56 9.805 4.825 -0.013 1.00 0.00 N ATOM 913 CA PHE A 56 9.249 4.665 -1.390 1.00 0.00 C ATOM 914 C PHE A 56 10.360 4.362 -2.410 1.00 0.00 C ATOM 915 O PHE A 56 10.563 3.229 -2.783 1.00 0.00 O ATOM 916 CB PHE A 56 8.505 5.940 -1.799 1.00 0.00 C ATOM 917 CG PHE A 56 7.559 5.614 -2.931 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.282 5.115 -2.651 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.961 5.802 -4.258 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.405 4.803 -3.697 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.085 5.490 -5.306 1.00 0.00 C ATOM 922 CZ PHE A 56 5.807 4.990 -5.025 1.00 0.00 C ATOM 0 H PHE A 56 9.517 4.106 0.651 1.00 0.00 H new ATOM 0 HA PHE A 56 8.558 3.822 -1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.952 6.342 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.214 6.707 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.972 4.970 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.946 6.188 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.419 4.418 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.395 5.635 -6.330 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.132 4.749 -5.833 1.00 0.00 H new ATOM 932 N GLU A 57 11.059 5.358 -2.888 1.00 0.00 N ATOM 933 CA GLU A 57 12.126 5.107 -3.905 1.00 0.00 C ATOM 934 C GLU A 57 13.026 3.949 -3.479 1.00 0.00 C ATOM 935 O GLU A 57 13.207 2.998 -4.212 1.00 0.00 O ATOM 936 CB GLU A 57 12.980 6.358 -4.068 1.00 0.00 C ATOM 937 CG GLU A 57 12.301 7.323 -5.041 1.00 0.00 C ATOM 938 CD GLU A 57 12.382 8.748 -4.488 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.412 9.375 -4.672 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.413 9.186 -3.891 1.00 0.00 O ATOM 0 H GLU A 57 10.938 6.334 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 57 11.643 4.852 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.122 6.841 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.969 6.089 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.784 7.272 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.259 7.037 -5.186 1.00 0.00 H new ATOM 947 N GLN A 58 13.609 4.020 -2.315 1.00 0.00 N ATOM 948 CA GLN A 58 14.497 2.918 -1.875 1.00 0.00 C ATOM 949 C GLN A 58 13.647 1.667 -1.669 1.00 0.00 C ATOM 950 O GLN A 58 14.075 0.559 -1.926 1.00 0.00 O ATOM 951 CB GLN A 58 15.194 3.301 -0.569 1.00 0.00 C ATOM 952 CG GLN A 58 16.112 4.500 -0.810 1.00 0.00 C ATOM 953 CD GLN A 58 15.986 5.480 0.358 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.609 5.302 1.386 1.00 0.00 O ATOM 955 NE2 GLN A 58 15.199 6.515 0.243 1.00 0.00 N ATOM 0 H GLN A 58 13.507 4.791 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 58 15.260 2.728 -2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.453 3.545 0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.772 2.457 -0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.145 4.167 -0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.845 4.994 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.676 6.665 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.107 7.174 1.016 1.00 0.00 H new ATOM 964 N SER A 59 12.433 1.843 -1.224 1.00 0.00 N ATOM 965 CA SER A 59 11.536 0.675 -1.021 1.00 0.00 C ATOM 966 C SER A 59 10.805 0.383 -2.334 1.00 0.00 C ATOM 967 O SER A 59 9.885 -0.410 -2.384 1.00 0.00 O ATOM 968 CB SER A 59 10.516 0.994 0.073 1.00 0.00 C ATOM 969 OG SER A 59 10.283 -0.172 0.852 1.00 0.00 O ATOM 0 H SER A 59 12.025 2.748 -0.992 1.00 0.00 H new ATOM 0 HA SER A 59 12.121 -0.194 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.885 1.801 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.583 1.340 -0.373 1.00 0.00 H new ATOM 0 HG SER A 59 9.644 -0.753 0.388 1.00 0.00 H new ATOM 975 N LYS A 60 11.210 1.023 -3.399 1.00 0.00 N ATOM 976 CA LYS A 60 10.547 0.794 -4.711 1.00 0.00 C ATOM 977 C LYS A 60 11.497 0.033 -5.638 1.00 0.00 C ATOM 978 O LYS A 60 11.075 -0.678 -6.528 1.00 0.00 O ATOM 979 CB LYS A 60 10.194 2.143 -5.342 1.00 0.00 C ATOM 980 CG LYS A 60 9.559 1.916 -6.715 1.00 0.00 C ATOM 981 CD LYS A 60 10.299 2.749 -7.764 1.00 0.00 C ATOM 982 CE LYS A 60 9.384 2.987 -8.966 1.00 0.00 C ATOM 983 NZ LYS A 60 9.958 4.063 -9.823 1.00 0.00 N ATOM 0 H LYS A 60 11.975 1.697 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 60 9.639 0.210 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.505 2.689 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.090 2.755 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.603 0.859 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.506 2.195 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.608 3.702 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.205 2.233 -8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.276 2.068 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.387 3.270 -8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.336 4.225 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.039 4.940 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.900 3.776 -10.157 1.00 0.00 H new ATOM 1083 N ALA A 67 6.860 -0.725 -5.269 1.00 0.00 N ATOM 1084 CA ALA A 67 5.936 0.249 -4.636 1.00 0.00 C ATOM 1085 C ALA A 67 5.272 1.147 -5.685 1.00 0.00 C ATOM 1086 O ALA A 67 4.258 1.765 -5.428 1.00 0.00 O ATOM 1087 CB ALA A 67 6.739 1.115 -3.672 1.00 0.00 C ATOM 0 HA ALA A 67 5.152 -0.297 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.078 1.839 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.195 0.484 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.519 1.643 -4.221 1.00 0.00 H new ATOM 1093 N GLU A 68 5.834 1.240 -6.854 1.00 0.00 N ATOM 1094 CA GLU A 68 5.242 2.107 -7.897 1.00 0.00 C ATOM 1095 C GLU A 68 3.830 1.617 -8.265 1.00 0.00 C ATOM 1096 O GLU A 68 2.972 2.395 -8.632 1.00 0.00 O ATOM 1097 CB GLU A 68 6.190 2.107 -9.114 1.00 0.00 C ATOM 1098 CG GLU A 68 5.510 1.503 -10.343 1.00 0.00 C ATOM 1099 CD GLU A 68 6.362 1.769 -11.586 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.527 2.095 -11.423 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.836 1.642 -12.679 1.00 0.00 O ATOM 0 H GLU A 68 6.684 0.748 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 68 5.132 3.128 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.505 3.127 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.090 1.540 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.375 0.430 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.518 1.935 -10.471 1.00 0.00 H new ATOM 1108 N SER A 69 3.590 0.338 -8.188 1.00 0.00 N ATOM 1109 CA SER A 69 2.243 -0.192 -8.553 1.00 0.00 C ATOM 1110 C SER A 69 1.249 -0.022 -7.395 1.00 0.00 C ATOM 1111 O SER A 69 0.198 0.580 -7.546 1.00 0.00 O ATOM 1112 CB SER A 69 2.365 -1.677 -8.897 1.00 0.00 C ATOM 1113 OG SER A 69 2.093 -1.863 -10.280 1.00 0.00 O ATOM 0 H SER A 69 4.266 -0.364 -7.889 1.00 0.00 H new ATOM 0 HA SER A 69 1.872 0.368 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.367 -2.036 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.667 -2.260 -8.296 1.00 0.00 H new ATOM 0 HG SER A 69 2.172 -2.814 -10.504 1.00 0.00 H new ATOM 1119 N VAL A 70 1.557 -0.561 -6.245 1.00 0.00 N ATOM 1120 CA VAL A 70 0.618 -0.445 -5.096 1.00 0.00 C ATOM 1121 C VAL A 70 0.235 1.018 -4.915 1.00 0.00 C ATOM 1122 O VAL A 70 -0.873 1.342 -4.537 1.00 0.00 O ATOM 1123 CB VAL A 70 1.297 -0.967 -3.833 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.463 -0.594 -2.606 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.426 -2.489 -3.918 1.00 0.00 C ATOM 0 H VAL A 70 2.417 -1.075 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.280 -1.034 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 70 2.287 -0.520 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.951 -0.969 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.371 0.490 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.529 -1.038 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.911 -2.864 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.435 -2.934 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.024 -2.755 -4.789 1.00 0.00 H new ATOM 1135 N LEU A 71 1.142 1.905 -5.199 1.00 0.00 N ATOM 1136 CA LEU A 71 0.828 3.351 -5.062 1.00 0.00 C ATOM 1137 C LEU A 71 -0.210 3.726 -6.111 1.00 0.00 C ATOM 1138 O LEU A 71 -1.136 4.452 -5.843 1.00 0.00 O ATOM 1139 CB LEU A 71 2.084 4.169 -5.307 1.00 0.00 C ATOM 1140 CG LEU A 71 1.716 5.651 -5.382 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.243 6.132 -4.009 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.943 6.460 -5.811 1.00 0.00 C ATOM 0 H LEU A 71 2.087 1.692 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 71 0.449 3.551 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.803 4.001 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.562 3.854 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 71 0.916 5.789 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.981 7.189 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.369 5.557 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.042 5.994 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.681 7.517 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.743 6.321 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.279 6.119 -6.790 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.060 3.231 -7.307 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.047 3.553 -8.373 1.00 0.00 C ATOM 1156 C GLN A 72 -2.416 3.063 -7.928 1.00 0.00 C ATOM 1157 O GLN A 72 -3.432 3.646 -8.238 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.613 2.860 -9.685 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.669 1.856 -10.177 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.247 1.295 -11.534 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -1.932 1.479 -12.520 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -0.139 0.613 -11.629 1.00 0.00 N ATOM 0 H GLN A 72 0.703 2.617 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.095 4.628 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.441 3.613 -10.454 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.334 2.344 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.780 1.046 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.640 2.345 -10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.437 0.458 -10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.151 0.235 -12.531 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.438 1.983 -7.218 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.721 1.426 -6.753 1.00 0.00 C ATOM 1173 C VAL A 73 -4.237 2.236 -5.567 1.00 0.00 C ATOM 1174 O VAL A 73 -5.426 2.361 -5.365 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.484 -0.018 -6.346 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.694 -0.569 -5.593 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.223 -0.836 -7.612 1.00 0.00 C ATOM 0 H VAL A 73 -1.611 1.456 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.468 1.472 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.624 -0.079 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.506 -1.605 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.867 0.027 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.574 -0.523 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.050 -1.878 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.088 -0.771 -8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.345 -0.443 -8.125 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.359 2.784 -4.776 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.830 3.582 -3.608 1.00 0.00 C ATOM 1189 C PHE A 74 -4.387 4.927 -4.094 1.00 0.00 C ATOM 1190 O PHE A 74 -5.412 5.395 -3.632 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.668 3.811 -2.637 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.715 2.763 -1.552 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.749 2.780 -0.608 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.730 1.770 -1.491 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.797 1.808 0.396 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.777 0.797 -0.485 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.811 0.816 0.458 1.00 0.00 C ATOM 0 H PHE A 74 -2.347 2.716 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.620 3.037 -3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.718 3.759 -3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.734 4.807 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.510 3.545 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.933 1.754 -2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.595 1.822 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.016 0.032 -0.437 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.848 0.065 1.234 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.731 5.543 -5.037 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.218 6.839 -5.565 1.00 0.00 C ATOM 1209 C ARG A 75 -5.427 6.576 -6.447 1.00 0.00 C ATOM 1210 O ARG A 75 -6.391 7.307 -6.430 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.125 7.491 -6.401 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.220 8.336 -5.502 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.854 9.713 -5.293 1.00 0.00 C ATOM 1214 NE ARG A 75 -3.148 10.335 -6.617 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.328 10.166 -7.619 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.039 10.207 -7.421 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.797 9.958 -8.819 1.00 0.00 N ATOM 0 H ARG A 75 -2.872 5.198 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.485 7.500 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.537 6.726 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.570 8.116 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.077 7.840 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.235 8.442 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.772 9.618 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.181 10.352 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.992 10.894 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.672 10.371 -6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.398 10.075 -8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.805 9.927 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.156 9.826 -9.601 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.377 5.519 -7.207 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.522 5.170 -8.084 1.00 0.00 C ATOM 1233 C GLU A 76 -7.732 4.953 -7.190 1.00 0.00 C ATOM 1234 O GLU A 76 -8.810 5.437 -7.458 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.200 3.881 -8.827 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.593 4.197 -10.195 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.638 3.955 -11.286 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.627 3.303 -10.996 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.431 4.426 -12.392 1.00 0.00 O ATOM 0 H GLU A 76 -4.585 4.878 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.718 5.961 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.504 3.280 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.106 3.288 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.255 5.233 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.718 3.571 -10.370 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.547 4.245 -6.105 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.667 4.027 -5.169 1.00 0.00 C ATOM 1248 C ALA A 77 -9.067 5.400 -4.658 1.00 0.00 C ATOM 1249 O ALA A 77 -10.229 5.707 -4.487 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.220 3.141 -4.003 1.00 0.00 C ATOM 0 H ALA A 77 -6.664 3.812 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.501 3.526 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.056 2.989 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.884 2.177 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.401 3.625 -3.471 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.096 6.251 -4.459 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.412 7.629 -4.014 1.00 0.00 C ATOM 1258 C LYS A 78 -9.329 8.240 -5.066 1.00 0.00 C ATOM 1259 O LYS A 78 -10.207 9.029 -4.780 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.122 8.437 -3.960 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.088 9.285 -2.687 1.00 0.00 C ATOM 1262 CD LYS A 78 -5.931 10.283 -2.770 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.069 11.322 -1.655 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.746 12.674 -2.192 1.00 0.00 N ATOM 0 H LYS A 78 -7.104 6.048 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.883 7.627 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.262 7.767 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.049 9.080 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.032 9.816 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.968 8.644 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.979 9.760 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.931 10.776 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.083 11.310 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.399 11.077 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.840 13.380 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.770 12.680 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.402 12.906 -2.965 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.108 7.859 -6.292 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.920 8.370 -7.418 1.00 0.00 C ATOM 1280 C ALA A 79 -11.308 7.734 -7.368 1.00 0.00 C ATOM 1281 O ALA A 79 -12.300 8.333 -7.733 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.226 7.974 -8.717 1.00 0.00 C ATOM 0 H ALA A 79 -8.379 7.198 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.021 9.454 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.805 8.339 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.228 8.411 -8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.148 6.888 -8.772 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.370 6.515 -6.916 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.665 5.796 -6.824 1.00 0.00 C ATOM 1290 C GLU A 80 -13.647 6.592 -5.959 1.00 0.00 C ATOM 1291 O GLU A 80 -14.829 6.312 -5.928 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.417 4.426 -6.186 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.050 3.414 -7.271 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.196 3.306 -8.278 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.247 2.816 -7.899 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.003 3.714 -9.412 1.00 0.00 O ATOM 0 H GLU A 80 -10.562 5.978 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.091 5.677 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.614 4.495 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.308 4.095 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.135 3.723 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.853 2.440 -6.823 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.165 7.567 -5.240 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.061 8.364 -4.359 1.00 0.00 C ATOM 1305 C GLY A 81 -13.673 8.094 -2.906 1.00 0.00 C ATOM 1306 O GLY A 81 -14.133 8.748 -1.992 1.00 0.00 O ATOM 0 H GLY A 81 -12.184 7.847 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.968 9.426 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.102 8.091 -4.531 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.821 7.126 -2.696 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.382 6.790 -1.319 1.00 0.00 C ATOM 1312 C CYS A 82 -11.536 7.934 -0.756 1.00 0.00 C ATOM 1313 O CYS A 82 -11.108 8.814 -1.477 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.542 5.516 -1.376 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.620 4.070 -1.221 1.00 0.00 S ATOM 0 H CYS A 82 -12.409 6.550 -3.430 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.250 6.640 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.992 5.473 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.803 5.519 -0.574 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.291 3.396 -0.159 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.293 7.933 0.527 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.481 9.022 1.132 1.00 0.00 C ATOM 1323 C ASP A 83 -9.136 8.464 1.611 1.00 0.00 C ATOM 1324 O ASP A 83 -8.873 8.385 2.795 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.243 9.607 2.318 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.669 10.980 2.672 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.467 11.066 2.863 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.440 11.922 2.746 1.00 0.00 O ATOM 0 H ASP A 83 -11.623 7.223 1.181 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.298 9.798 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.302 9.696 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.169 8.939 3.176 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.280 8.083 0.701 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.949 7.540 1.104 1.00 0.00 C ATOM 1335 C ILE A 84 -5.897 8.650 0.985 1.00 0.00 C ATOM 1336 O ILE A 84 -5.347 8.874 -0.075 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.554 6.404 0.168 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.450 5.203 0.421 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.097 6.014 0.425 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.053 4.759 -0.905 1.00 0.00 C ATOM 0 H ILE A 84 -8.444 8.124 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.006 7.175 2.130 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.667 6.731 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.876 4.390 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.239 5.462 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.814 5.201 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.453 6.874 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.985 5.688 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.699 3.897 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.638 5.575 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.254 4.487 -1.595 1.00 0.00 H new ATOM 1352 N THR A 85 -5.604 9.344 2.047 1.00 0.00 N ATOM 1353 CA THR A 85 -4.582 10.427 1.962 1.00 0.00 C ATOM 1354 C THR A 85 -3.219 9.814 1.630 1.00 0.00 C ATOM 1355 O THR A 85 -2.509 9.349 2.499 1.00 0.00 O ATOM 1356 CB THR A 85 -4.499 11.162 3.302 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.704 11.882 3.520 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.317 12.137 3.285 1.00 0.00 C ATOM 0 H THR A 85 -6.024 9.211 2.967 1.00 0.00 H new ATOM 0 HA THR A 85 -4.865 11.133 1.181 1.00 0.00 H new ATOM 0 HB THR A 85 -4.356 10.437 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.654 12.352 4.378 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.261 12.658 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.392 11.585 3.119 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.455 12.863 2.484 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.845 9.813 0.379 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.527 9.232 -0.004 1.00 0.00 C ATOM 1368 C ILE A 86 -0.413 10.200 0.417 1.00 0.00 C ATOM 1369 O ILE A 86 -0.314 11.305 -0.079 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.510 8.981 -1.528 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -1.606 7.478 -1.786 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.224 9.506 -2.172 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -3.029 7.008 -1.505 1.00 0.00 C ATOM 0 H ILE A 86 -3.395 10.189 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.363 8.280 0.501 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.356 9.509 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.335 7.257 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.902 6.942 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.248 9.311 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.143 10.579 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.636 9.002 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.101 5.936 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.282 7.216 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.722 7.535 -2.160 1.00 0.00 H new ATOM 1385 N ILE A 87 0.421 9.788 1.331 1.00 0.00 N ATOM 1386 CA ILE A 87 1.526 10.675 1.790 1.00 0.00 C ATOM 1387 C ILE A 87 2.872 10.037 1.432 1.00 0.00 C ATOM 1388 O ILE A 87 3.330 9.121 2.086 1.00 0.00 O ATOM 1389 CB ILE A 87 1.426 10.857 3.306 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.231 11.756 3.631 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.706 11.506 3.832 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.232 11.492 5.065 1.00 0.00 C ATOM 0 H ILE A 87 0.385 8.873 1.781 1.00 0.00 H new ATOM 0 HA ILE A 87 1.448 11.646 1.302 1.00 0.00 H new ATOM 0 HB ILE A 87 1.293 9.884 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.508 12.804 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.584 11.562 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.632 11.634 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.559 10.868 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.841 12.479 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.083 12.132 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.526 10.447 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.583 11.708 5.756 1.00 0.00 H new ATOM 1404 N LEU A 88 3.505 10.515 0.395 1.00 0.00 N ATOM 1405 CA LEU A 88 4.819 9.939 -0.012 1.00 0.00 C ATOM 1406 C LEU A 88 5.953 10.787 0.570 1.00 0.00 C ATOM 1407 O LEU A 88 6.194 11.898 0.139 1.00 0.00 O ATOM 1408 CB LEU A 88 4.919 9.937 -1.538 1.00 0.00 C ATOM 1409 CG LEU A 88 4.554 8.551 -2.068 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.120 8.568 -2.601 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.513 8.172 -3.198 1.00 0.00 C ATOM 0 H LEU A 88 3.168 11.281 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 88 4.900 8.919 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.249 10.687 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.930 10.202 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 88 4.632 7.821 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.861 7.579 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.436 8.840 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.040 9.297 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.255 7.184 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.433 8.902 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.535 8.160 -2.819 1.00 0.00 H new ATOM 1423 N SER A 89 6.653 10.273 1.543 1.00 0.00 N ATOM 1424 CA SER A 89 7.771 11.051 2.149 1.00 0.00 C ATOM 1425 C SER A 89 9.100 10.362 1.835 1.00 0.00 C ATOM 1426 O SER A 89 10.000 10.451 2.654 1.00 0.00 O ATOM 1427 CB SER A 89 7.581 11.122 3.664 1.00 0.00 C ATOM 1428 OG SER A 89 8.712 11.753 4.250 1.00 0.00 O ATOM 1429 OXT SER A 89 9.196 9.757 0.780 1.00 0.00 O ATOM 0 H SER A 89 6.500 9.348 1.945 1.00 0.00 H new ATOM 0 HA SER A 89 7.777 12.060 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.675 11.679 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.456 10.120 4.074 1.00 0.00 H new ATOM 0 HG SER A 89 9.527 11.284 3.975 1.00 0.00 H new