USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 572 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 22 MET CE :methyl 180:sc= -7.19 (180deg=-6.77) USER MOD Set 1.2: A 65 MET CE :methyl -153:sc= -1.98 (180deg=-3.04!) USER MOD Set 2.1: A 41 GLN : amide:sc= -6.91! C(o=-12!,f=-10!) USER MOD Set 2.2: A 45 ASN : amide:sc= -5.19! K(o=-12!,f=-9.2) USER MOD Single : A 1 THR N :NH3+ -176:sc= 0 (180deg=-0.0288) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 72:sc= 0.336 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -101:sc=-0.00097 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.29! USER MOD Single : A 18 GLN : amide:sc=-0.00904 X(o=-0.009,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.33! C(o=-1.3!,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc=-0.00603 (180deg=-0.129) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.109 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 155:sc= -1.47 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -13.329 41.849 -10.420 1.00 0.00 N ATOM 2 CA THR A 1 -13.285 42.040 -11.860 1.00 0.00 C ATOM 3 C THR A 1 -13.352 40.691 -12.579 1.00 0.00 C ATOM 4 O THR A 1 -14.152 40.511 -13.497 1.00 0.00 O ATOM 5 CB THR A 1 -12.027 42.844 -12.193 1.00 0.00 C ATOM 6 OG1 THR A 1 -12.245 43.293 -13.528 1.00 0.00 O ATOM 7 CG2 THR A 1 -10.780 41.963 -12.295 1.00 0.00 C ATOM 0 H1 THR A 1 -13.351 42.775 -9.947 1.00 0.00 H new ATOM 0 H2 THR A 1 -14.182 41.311 -10.167 1.00 0.00 H new ATOM 0 H3 THR A 1 -12.485 41.324 -10.113 1.00 0.00 H new ATOM 0 HA THR A 1 -14.150 42.603 -12.210 1.00 0.00 H new ATOM 0 HB THR A 1 -11.871 43.607 -11.430 1.00 0.00 H new ATOM 0 HG1 THR A 1 -11.477 43.825 -13.824 1.00 0.00 H new ATOM 0 HG21 THR A 1 -9.915 42.582 -12.533 1.00 0.00 H new ATOM 0 HG22 THR A 1 -10.613 41.457 -11.344 1.00 0.00 H new ATOM 0 HG23 THR A 1 -10.922 41.221 -13.081 1.00 0.00 H new ATOM 15 N TYR A 2 -12.502 39.777 -12.134 1.00 0.00 N ATOM 16 CA TYR A 2 -12.455 38.449 -12.723 1.00 0.00 C ATOM 17 C TYR A 2 -11.424 37.570 -12.012 1.00 0.00 C ATOM 18 O TYR A 2 -10.392 38.061 -11.558 1.00 0.00 O ATOM 19 CB TYR A 2 -12.021 38.648 -14.177 1.00 0.00 C ATOM 20 CG TYR A 2 -12.776 37.770 -15.177 1.00 0.00 C ATOM 21 CD1 TYR A 2 -14.125 37.970 -15.391 1.00 0.00 C ATOM 22 CD2 TYR A 2 -12.108 36.778 -15.865 1.00 0.00 C ATOM 23 CE1 TYR A 2 -14.835 37.144 -16.333 1.00 0.00 C ATOM 24 CE2 TYR A 2 -12.818 35.951 -16.807 1.00 0.00 C ATOM 25 CZ TYR A 2 -14.146 36.175 -16.994 1.00 0.00 C ATOM 26 OH TYR A 2 -14.817 35.394 -17.883 1.00 0.00 O ATOM 0 H TYR A 2 -11.841 39.930 -11.373 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.424 37.957 -12.639 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -12.163 39.694 -14.448 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.954 38.439 -14.259 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -14.648 38.746 -14.852 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.053 36.621 -15.697 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -15.890 37.290 -16.511 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -12.307 35.171 -17.352 1.00 0.00 H new ATOM 0 HH TYR A 2 -14.199 34.746 -18.281 1.00 0.00 H new ATOM 36 N SER A 3 -11.740 36.286 -11.938 1.00 0.00 N ATOM 37 CA SER A 3 -10.854 35.334 -11.290 1.00 0.00 C ATOM 38 C SER A 3 -11.620 34.053 -10.952 1.00 0.00 C ATOM 39 O SER A 3 -12.411 34.028 -10.010 1.00 0.00 O ATOM 40 CB SER A 3 -10.234 35.931 -10.025 1.00 0.00 C ATOM 41 OG SER A 3 -8.855 36.240 -10.202 1.00 0.00 O ATOM 0 H SER A 3 -12.597 35.882 -12.316 1.00 0.00 H new ATOM 0 HA SER A 3 -10.045 35.095 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.776 36.835 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.345 35.227 -9.200 1.00 0.00 H new ATOM 0 HG SER A 3 -8.767 37.024 -10.783 1.00 0.00 H new ATOM 47 N LEU A 4 -11.358 33.020 -11.739 1.00 0.00 N ATOM 48 CA LEU A 4 -12.013 31.739 -11.535 1.00 0.00 C ATOM 49 C LEU A 4 -11.358 30.687 -12.433 1.00 0.00 C ATOM 50 O LEU A 4 -10.269 30.908 -12.961 1.00 0.00 O ATOM 51 CB LEU A 4 -13.523 31.870 -11.742 1.00 0.00 C ATOM 52 CG LEU A 4 -13.993 31.995 -13.192 1.00 0.00 C ATOM 53 CD1 LEU A 4 -15.511 31.832 -13.293 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.515 33.310 -13.811 1.00 0.00 C ATOM 0 H LEU A 4 -10.701 33.044 -12.519 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.884 31.405 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.007 31.000 -11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.871 32.744 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.544 31.186 -13.768 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.818 31.925 -14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.797 30.850 -12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.000 32.605 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.862 33.374 -14.842 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.916 34.148 -13.240 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.426 33.346 -13.792 1.00 0.00 H new ATOM 66 N ARG A 5 -12.049 29.566 -12.578 1.00 0.00 N ATOM 67 CA ARG A 5 -11.549 28.480 -13.403 1.00 0.00 C ATOM 68 C ARG A 5 -10.238 27.938 -12.829 1.00 0.00 C ATOM 69 O ARG A 5 -9.822 28.334 -11.742 1.00 0.00 O ATOM 70 CB ARG A 5 -11.314 28.945 -14.842 1.00 0.00 C ATOM 71 CG ARG A 5 -12.479 28.538 -15.747 1.00 0.00 C ATOM 72 CD ARG A 5 -12.099 28.671 -17.223 1.00 0.00 C ATOM 73 NE ARG A 5 -13.317 28.655 -18.063 1.00 0.00 N ATOM 74 CZ ARG A 5 -13.359 29.077 -19.334 1.00 0.00 C ATOM 75 NH1 ARG A 5 -12.251 29.551 -19.919 1.00 0.00 N ATOM 76 NH2 ARG A 5 -14.509 29.026 -20.019 1.00 0.00 N ATOM 0 H ARG A 5 -12.951 29.386 -12.138 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.302 27.692 -13.406 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.194 30.028 -14.863 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.387 28.514 -15.220 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.768 27.509 -15.533 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.346 29.163 -15.533 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.549 29.598 -17.383 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.438 27.854 -17.512 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.179 28.300 -17.648 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.376 29.591 -19.397 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.283 29.872 -20.887 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.353 28.666 -19.573 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.541 29.347 -20.987 1.00 0.00 H new ATOM 90 N THR A 6 -9.625 27.040 -13.586 1.00 0.00 N ATOM 91 CA THR A 6 -8.370 26.439 -13.166 1.00 0.00 C ATOM 92 C THR A 6 -8.566 25.644 -11.874 1.00 0.00 C ATOM 93 O THR A 6 -8.354 26.167 -10.780 1.00 0.00 O ATOM 94 CB THR A 6 -7.330 27.555 -13.041 1.00 0.00 C ATOM 95 OG1 THR A 6 -7.258 28.110 -14.351 1.00 0.00 O ATOM 96 CG2 THR A 6 -5.921 27.016 -12.787 1.00 0.00 C ATOM 0 H THR A 6 -9.974 26.714 -14.487 1.00 0.00 H new ATOM 0 HA THR A 6 -8.010 25.720 -13.902 1.00 0.00 H new ATOM 0 HB THR A 6 -7.613 28.226 -12.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.607 28.843 -14.361 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.222 27.848 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.912 26.444 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.624 26.371 -13.614 1.00 0.00 H new ATOM 104 N PHE A 7 -8.968 24.393 -12.042 1.00 0.00 N ATOM 105 CA PHE A 7 -9.195 23.520 -10.902 1.00 0.00 C ATOM 106 C PHE A 7 -9.521 22.096 -11.358 1.00 0.00 C ATOM 107 O PHE A 7 -10.621 21.833 -11.843 1.00 0.00 O ATOM 108 CB PHE A 7 -10.393 24.085 -10.137 1.00 0.00 C ATOM 109 CG PHE A 7 -10.839 23.223 -8.955 1.00 0.00 C ATOM 110 CD1 PHE A 7 -10.096 23.193 -7.816 1.00 0.00 C ATOM 111 CD2 PHE A 7 -11.979 22.486 -9.043 1.00 0.00 C ATOM 112 CE1 PHE A 7 -10.511 22.393 -6.719 1.00 0.00 C ATOM 113 CE2 PHE A 7 -12.393 21.686 -7.945 1.00 0.00 C ATOM 114 CZ PHE A 7 -11.650 21.656 -6.807 1.00 0.00 C ATOM 0 H PHE A 7 -9.142 23.963 -12.950 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.300 23.478 -10.282 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.141 25.081 -9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -11.230 24.200 -10.826 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.191 23.778 -7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.569 22.509 -9.947 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.922 22.370 -5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.298 21.101 -8.014 1.00 0.00 H new ATOM 0 HZ PHE A 7 -11.965 21.047 -5.973 1.00 0.00 H new ATOM 124 N PHE A 8 -8.546 21.216 -11.187 1.00 0.00 N ATOM 125 CA PHE A 8 -8.716 19.826 -11.575 1.00 0.00 C ATOM 126 C PHE A 8 -7.462 19.010 -11.256 1.00 0.00 C ATOM 127 O PHE A 8 -6.453 19.562 -10.820 1.00 0.00 O ATOM 128 CB PHE A 8 -8.950 19.809 -13.087 1.00 0.00 C ATOM 129 CG PHE A 8 -10.017 18.810 -13.540 1.00 0.00 C ATOM 130 CD1 PHE A 8 -11.333 19.150 -13.489 1.00 0.00 C ATOM 131 CD2 PHE A 8 -9.649 17.582 -13.994 1.00 0.00 C ATOM 132 CE1 PHE A 8 -12.323 18.223 -13.910 1.00 0.00 C ATOM 133 CE2 PHE A 8 -10.639 16.655 -14.415 1.00 0.00 C ATOM 134 CZ PHE A 8 -11.955 16.995 -14.364 1.00 0.00 C ATOM 0 H PHE A 8 -7.635 21.438 -10.785 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.551 19.387 -11.029 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.242 20.808 -13.411 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.011 19.574 -13.587 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.625 20.125 -13.128 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.604 17.312 -14.034 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.368 18.493 -13.870 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.347 15.680 -14.776 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.708 16.290 -14.684 1.00 0.00 H new ATOM 144 N VAL A 9 -7.566 17.710 -11.486 1.00 0.00 N ATOM 145 CA VAL A 9 -6.453 16.812 -11.228 1.00 0.00 C ATOM 146 C VAL A 9 -6.444 15.702 -12.281 1.00 0.00 C ATOM 147 O VAL A 9 -6.032 15.923 -13.419 1.00 0.00 O ATOM 148 CB VAL A 9 -6.531 16.279 -9.797 1.00 0.00 C ATOM 149 CG1 VAL A 9 -5.407 15.277 -9.523 1.00 0.00 C ATOM 150 CG2 VAL A 9 -6.505 17.424 -8.782 1.00 0.00 C ATOM 0 H VAL A 9 -8.405 17.256 -11.849 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.506 17.345 -11.310 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.481 15.756 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.486 14.913 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.491 14.438 -10.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.442 15.765 -9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.562 17.017 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.579 17.989 -8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.355 18.083 -8.955 1.00 0.00 H new ATOM 160 N ARG A 10 -6.904 14.531 -11.864 1.00 0.00 N ATOM 161 CA ARG A 10 -6.954 13.386 -12.756 1.00 0.00 C ATOM 162 C ARG A 10 -7.549 12.176 -12.034 1.00 0.00 C ATOM 163 O ARG A 10 -8.747 11.913 -12.137 1.00 0.00 O ATOM 164 CB ARG A 10 -5.559 13.028 -13.272 1.00 0.00 C ATOM 165 CG ARG A 10 -5.407 13.404 -14.748 1.00 0.00 C ATOM 166 CD ARG A 10 -5.562 12.174 -15.645 1.00 0.00 C ATOM 167 NE ARG A 10 -6.041 12.583 -16.985 1.00 0.00 N ATOM 168 CZ ARG A 10 -7.281 13.025 -17.237 1.00 0.00 C ATOM 169 NH1 ARG A 10 -8.173 13.119 -16.242 1.00 0.00 N ATOM 170 NH2 ARG A 10 -7.627 13.374 -18.483 1.00 0.00 N ATOM 0 H ARG A 10 -7.245 14.351 -10.920 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.585 13.654 -13.604 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.804 13.547 -12.681 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.384 11.960 -13.145 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.155 14.151 -15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.430 13.858 -14.913 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.607 11.655 -15.733 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.266 11.473 -15.196 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.386 12.525 -17.765 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.908 12.854 -15.293 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.117 13.455 -16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.947 13.303 -19.240 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.571 13.710 -18.675 1.00 0.00 H new ATOM 184 N GLU A 11 -6.686 11.471 -11.318 1.00 0.00 N ATOM 185 CA GLU A 11 -7.111 10.295 -10.578 1.00 0.00 C ATOM 186 C GLU A 11 -5.943 9.725 -9.769 1.00 0.00 C ATOM 187 O GLU A 11 -4.824 9.630 -10.271 1.00 0.00 O ATOM 188 CB GLU A 11 -7.694 9.238 -11.517 1.00 0.00 C ATOM 189 CG GLU A 11 -8.783 8.422 -10.816 1.00 0.00 C ATOM 190 CD GLU A 11 -9.776 7.848 -11.829 1.00 0.00 C ATOM 191 OE1 GLU A 11 -9.483 6.751 -12.352 1.00 0.00 O ATOM 192 OE2 GLU A 11 -10.805 8.520 -12.058 1.00 0.00 O ATOM 0 H GLU A 11 -5.694 11.692 -11.234 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.898 10.591 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.109 9.721 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.901 8.574 -11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.326 7.611 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.311 9.053 -10.101 1.00 0.00 H new ATOM 199 N SER A 12 -6.244 9.362 -8.531 1.00 0.00 N ATOM 200 CA SER A 12 -5.233 8.805 -7.648 1.00 0.00 C ATOM 201 C SER A 12 -5.856 8.455 -6.295 1.00 0.00 C ATOM 202 O SER A 12 -7.053 8.651 -6.089 1.00 0.00 O ATOM 203 CB SER A 12 -4.068 9.778 -7.461 1.00 0.00 C ATOM 204 OG SER A 12 -2.983 9.183 -6.756 1.00 0.00 O ATOM 0 H SER A 12 -7.173 9.443 -8.118 1.00 0.00 H new ATOM 0 HA SER A 12 -4.841 7.897 -8.106 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.722 10.121 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.414 10.658 -6.918 1.00 0.00 H new ATOM 0 HG SER A 12 -3.000 9.476 -5.821 1.00 0.00 H new ATOM 210 N ALA A 13 -5.015 7.944 -5.408 1.00 0.00 N ATOM 211 CA ALA A 13 -5.468 7.566 -4.080 1.00 0.00 C ATOM 212 C ALA A 13 -5.968 8.810 -3.342 1.00 0.00 C ATOM 213 O ALA A 13 -6.511 9.725 -3.960 1.00 0.00 O ATOM 214 CB ALA A 13 -4.332 6.864 -3.334 1.00 0.00 C ATOM 0 H ALA A 13 -4.023 7.783 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.300 6.864 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.672 6.580 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.033 5.971 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.481 7.539 -3.249 1.00 0.00 H new ATOM 220 N GLU A 14 -5.768 8.803 -2.033 1.00 0.00 N ATOM 221 CA GLU A 14 -6.193 9.919 -1.205 1.00 0.00 C ATOM 222 C GLU A 14 -5.173 11.056 -1.284 1.00 0.00 C ATOM 223 O GLU A 14 -4.775 11.611 -0.261 1.00 0.00 O ATOM 224 CB GLU A 14 -6.409 9.476 0.244 1.00 0.00 C ATOM 225 CG GLU A 14 -7.757 9.970 0.773 1.00 0.00 C ATOM 226 CD GLU A 14 -7.581 10.759 2.071 1.00 0.00 C ATOM 227 OE1 GLU A 14 -6.662 10.394 2.837 1.00 0.00 O ATOM 228 OE2 GLU A 14 -8.369 11.709 2.270 1.00 0.00 O ATOM 0 H GLU A 14 -5.317 8.042 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.147 10.285 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.366 8.389 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.605 9.863 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.237 10.599 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.417 9.120 0.947 1.00 0.00 H new ATOM 235 N GLY A 15 -4.778 11.370 -2.510 1.00 0.00 N ATOM 236 CA GLY A 15 -3.812 12.431 -2.736 1.00 0.00 C ATOM 237 C GLY A 15 -2.428 12.033 -2.218 1.00 0.00 C ATOM 238 O GLY A 15 -1.501 12.842 -2.227 1.00 0.00 O ATOM 0 H GLY A 15 -5.110 10.908 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.755 12.655 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.143 13.341 -2.236 1.00 0.00 H new ATOM 242 N LEU A 16 -2.333 10.787 -1.778 1.00 0.00 N ATOM 243 CA LEU A 16 -1.078 10.272 -1.257 1.00 0.00 C ATOM 244 C LEU A 16 -0.025 10.288 -2.366 1.00 0.00 C ATOM 245 O LEU A 16 -0.354 10.140 -3.542 1.00 0.00 O ATOM 246 CB LEU A 16 -1.285 8.893 -0.626 1.00 0.00 C ATOM 247 CG LEU A 16 -1.135 7.696 -1.566 1.00 0.00 C ATOM 248 CD1 LEU A 16 0.333 7.468 -1.934 1.00 0.00 C ATOM 249 CD2 LEU A 16 -1.776 6.443 -0.966 1.00 0.00 C ATOM 0 H LEU A 16 -3.104 10.119 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.708 10.912 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.573 8.779 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.282 8.862 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.668 7.919 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.412 6.611 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.725 8.355 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.909 7.276 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.655 5.607 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.293 6.205 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.838 6.623 -0.797 1.00 0.00 H new ATOM 261 N THR A 17 1.221 10.469 -1.953 1.00 0.00 N ATOM 262 CA THR A 17 2.325 10.507 -2.898 1.00 0.00 C ATOM 263 C THR A 17 2.898 9.103 -3.104 1.00 0.00 C ATOM 264 O THR A 17 2.769 8.243 -2.235 1.00 0.00 O ATOM 265 CB THR A 17 3.354 11.514 -2.382 1.00 0.00 C ATOM 266 OG1 THR A 17 3.447 11.233 -0.989 1.00 0.00 O ATOM 267 CG2 THR A 17 2.842 12.955 -2.439 1.00 0.00 C ATOM 0 H THR A 17 1.491 10.591 -0.977 1.00 0.00 H new ATOM 0 HA THR A 17 1.993 10.836 -3.883 1.00 0.00 H new ATOM 0 HB THR A 17 4.269 11.431 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.095 11.840 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.611 13.629 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.605 13.216 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.946 13.047 -1.826 1.00 0.00 H new ATOM 275 N GLN A 18 3.519 8.917 -4.259 1.00 0.00 N ATOM 276 CA GLN A 18 4.113 7.632 -4.591 1.00 0.00 C ATOM 277 C GLN A 18 5.035 7.167 -3.462 1.00 0.00 C ATOM 278 O GLN A 18 5.139 5.972 -3.193 1.00 0.00 O ATOM 279 CB GLN A 18 4.866 7.703 -5.921 1.00 0.00 C ATOM 280 CG GLN A 18 4.387 6.613 -6.881 1.00 0.00 C ATOM 281 CD GLN A 18 5.448 6.311 -7.941 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.325 6.672 -9.100 1.00 0.00 O ATOM 283 NE2 GLN A 18 6.494 5.631 -7.481 1.00 0.00 N ATOM 0 H GLN A 18 3.624 9.634 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 18 3.312 6.901 -4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.718 8.683 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.936 7.592 -5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.158 5.706 -6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.464 6.930 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.534 5.360 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.257 5.381 -8.111 1.00 0.00 H new ATOM 292 N GLY A 19 5.682 8.137 -2.832 1.00 0.00 N ATOM 293 CA GLY A 19 6.593 7.842 -1.739 1.00 0.00 C ATOM 294 C GLY A 19 5.823 7.465 -0.471 1.00 0.00 C ATOM 295 O GLY A 19 6.256 6.599 0.288 1.00 0.00 O ATOM 0 H GLY A 19 5.593 9.128 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.255 7.024 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.223 8.709 -1.542 1.00 0.00 H new ATOM 299 N GLU A 20 4.696 8.134 -0.281 1.00 0.00 N ATOM 300 CA GLU A 20 3.862 7.881 0.882 1.00 0.00 C ATOM 301 C GLU A 20 3.417 6.417 0.907 1.00 0.00 C ATOM 302 O GLU A 20 3.400 5.788 1.964 1.00 0.00 O ATOM 303 CB GLU A 20 2.655 8.821 0.907 1.00 0.00 C ATOM 304 CG GLU A 20 3.043 10.197 1.452 1.00 0.00 C ATOM 305 CD GLU A 20 2.890 10.247 2.973 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.845 9.759 3.455 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.821 10.772 3.620 1.00 0.00 O ATOM 0 H GLU A 20 4.340 8.851 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 20 4.452 8.077 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.250 8.926 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.867 8.390 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.074 10.423 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.417 10.963 0.995 1.00 0.00 H new ATOM 314 N LEU A 21 3.069 5.917 -0.269 1.00 0.00 N ATOM 315 CA LEU A 21 2.626 4.539 -0.395 1.00 0.00 C ATOM 316 C LEU A 21 3.650 3.616 0.268 1.00 0.00 C ATOM 317 O LEU A 21 3.280 2.662 0.952 1.00 0.00 O ATOM 318 CB LEU A 21 2.348 4.197 -1.861 1.00 0.00 C ATOM 319 CG LEU A 21 1.213 3.203 -2.114 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.436 1.906 -1.333 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.146 3.832 -1.804 1.00 0.00 C ATOM 0 H LEU A 21 3.085 6.442 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 21 1.680 4.394 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.120 5.121 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.261 3.794 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 21 1.214 2.946 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.615 1.217 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.376 1.450 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.476 2.126 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.935 3.104 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.176 4.137 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.297 4.704 -2.441 1.00 0.00 H new ATOM 333 N MET A 22 4.917 3.931 0.043 1.00 0.00 N ATOM 334 CA MET A 22 5.997 3.142 0.610 1.00 0.00 C ATOM 335 C MET A 22 5.864 3.045 2.132 1.00 0.00 C ATOM 336 O MET A 22 5.739 1.950 2.679 1.00 0.00 O ATOM 337 CB MET A 22 7.340 3.783 0.255 1.00 0.00 C ATOM 338 CG MET A 22 8.505 2.949 0.791 1.00 0.00 C ATOM 339 SD MET A 22 8.288 1.236 0.339 1.00 0.00 S ATOM 340 CE MET A 22 8.375 1.372 -1.439 1.00 0.00 C ATOM 0 H MET A 22 5.220 4.722 -0.525 1.00 0.00 H new ATOM 0 HA MET A 22 5.944 2.136 0.194 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.426 3.880 -0.827 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.388 4.790 0.670 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.446 3.323 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.562 3.043 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.257 0.385 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.580 2.028 -1.793 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.342 1.787 -1.725 1.00 0.00 H new ATOM 350 N LYS A 23 5.897 4.204 2.772 1.00 0.00 N ATOM 351 CA LYS A 23 5.782 4.264 4.219 1.00 0.00 C ATOM 352 C LYS A 23 4.413 3.725 4.640 1.00 0.00 C ATOM 353 O LYS A 23 4.276 3.141 5.714 1.00 0.00 O ATOM 354 CB LYS A 23 6.066 5.681 4.721 1.00 0.00 C ATOM 355 CG LYS A 23 7.102 5.666 5.847 1.00 0.00 C ATOM 356 CD LYS A 23 7.427 7.087 6.312 1.00 0.00 C ATOM 357 CE LYS A 23 6.576 7.476 7.522 1.00 0.00 C ATOM 358 NZ LYS A 23 7.391 8.216 8.512 1.00 0.00 N ATOM 0 H LYS A 23 6.002 5.110 2.315 1.00 0.00 H new ATOM 0 HA LYS A 23 6.533 3.628 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.427 6.297 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.142 6.136 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.724 5.082 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.012 5.175 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.484 7.157 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.250 7.789 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.736 8.092 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.157 6.581 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.798 8.473 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.178 7.616 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.770 9.080 8.074 1.00 0.00 H new ATOM 372 N LEU A 24 3.436 3.939 3.772 1.00 0.00 N ATOM 373 CA LEU A 24 2.083 3.482 4.040 1.00 0.00 C ATOM 374 C LEU A 24 2.056 1.952 4.037 1.00 0.00 C ATOM 375 O LEU A 24 1.441 1.336 4.907 1.00 0.00 O ATOM 376 CB LEU A 24 1.098 4.116 3.057 1.00 0.00 C ATOM 377 CG LEU A 24 -0.334 4.300 3.565 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.171 5.102 2.568 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.975 2.951 3.898 1.00 0.00 C ATOM 0 H LEU A 24 3.554 4.423 2.882 1.00 0.00 H new ATOM 0 HA LEU A 24 1.761 3.805 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.486 5.091 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.067 3.501 2.158 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.297 4.876 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.184 5.218 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.723 6.085 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.204 4.575 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.992 3.110 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.999 2.329 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.391 2.452 4.672 1.00 0.00 H new ATOM 391 N ILE A 25 2.730 1.382 3.049 1.00 0.00 N ATOM 392 CA ILE A 25 2.791 -0.064 2.920 1.00 0.00 C ATOM 393 C ILE A 25 3.601 -0.641 4.083 1.00 0.00 C ATOM 394 O ILE A 25 3.200 -1.630 4.693 1.00 0.00 O ATOM 395 CB ILE A 25 3.326 -0.457 1.542 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.184 -0.637 0.541 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.211 -1.703 1.633 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.723 -0.944 -0.858 1.00 0.00 C ATOM 0 H ILE A 25 3.239 1.896 2.330 1.00 0.00 H new ATOM 0 HA ILE A 25 1.792 -0.495 2.982 1.00 0.00 H new ATOM 0 HB ILE A 25 3.951 0.356 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.532 -1.447 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.577 0.268 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.579 -1.961 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.056 -1.502 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.629 -2.534 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.890 -1.067 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.354 -0.121 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.309 -1.862 -0.829 1.00 0.00 H new ATOM 410 N LYS A 26 4.727 0.003 4.354 1.00 0.00 N ATOM 411 CA LYS A 26 5.598 -0.434 5.432 1.00 0.00 C ATOM 412 C LYS A 26 4.877 -0.252 6.769 1.00 0.00 C ATOM 413 O LYS A 26 5.061 -1.046 7.691 1.00 0.00 O ATOM 414 CB LYS A 26 6.946 0.286 5.358 1.00 0.00 C ATOM 415 CG LYS A 26 7.933 -0.293 6.373 1.00 0.00 C ATOM 416 CD LYS A 26 9.376 -0.116 5.896 1.00 0.00 C ATOM 417 CE LYS A 26 10.085 -1.467 5.778 1.00 0.00 C ATOM 418 NZ LYS A 26 11.474 -1.283 5.302 1.00 0.00 N ATOM 0 H LYS A 26 5.056 0.824 3.846 1.00 0.00 H new ATOM 0 HA LYS A 26 5.824 -1.496 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.357 0.194 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.805 1.350 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.801 0.200 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.724 -1.352 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.384 0.388 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.917 0.523 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.089 -1.968 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.540 -2.111 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.941 -2.209 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.463 -0.825 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.995 -0.686 5.975 1.00 0.00 H new ATOM 432 N GLU A 27 4.071 0.798 6.833 1.00 0.00 N ATOM 433 CA GLU A 27 3.321 1.094 8.042 1.00 0.00 C ATOM 434 C GLU A 27 2.507 -0.128 8.474 1.00 0.00 C ATOM 435 O GLU A 27 2.410 -0.424 9.664 1.00 0.00 O ATOM 436 CB GLU A 27 2.417 2.312 7.842 1.00 0.00 C ATOM 437 CG GLU A 27 2.974 3.533 8.578 1.00 0.00 C ATOM 438 CD GLU A 27 2.412 4.829 7.990 1.00 0.00 C ATOM 439 OE1 GLU A 27 1.274 5.178 8.369 1.00 0.00 O ATOM 440 OE2 GLU A 27 3.135 5.442 7.174 1.00 0.00 O ATOM 0 H GLU A 27 3.921 1.454 6.067 1.00 0.00 H new ATOM 0 HA GLU A 27 4.029 1.334 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.328 2.533 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.414 2.089 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.722 3.470 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.062 3.539 8.509 1.00 0.00 H new ATOM 447 N ILE A 28 1.943 -0.804 7.484 1.00 0.00 N ATOM 448 CA ILE A 28 1.141 -1.986 7.747 1.00 0.00 C ATOM 449 C ILE A 28 2.044 -3.105 8.270 1.00 0.00 C ATOM 450 O ILE A 28 1.667 -3.835 9.185 1.00 0.00 O ATOM 451 CB ILE A 28 0.337 -2.375 6.504 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.868 -1.450 6.319 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.074 -3.848 6.556 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.836 -0.777 4.945 1.00 0.00 C ATOM 0 H ILE A 28 2.026 -0.555 6.498 1.00 0.00 H new ATOM 0 HA ILE A 28 0.405 -1.781 8.524 1.00 0.00 H new ATOM 0 HB ILE A 28 0.976 -2.250 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.790 -2.022 6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.871 -0.690 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.644 -4.099 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.818 -4.473 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.689 -4.023 7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.703 -0.125 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.075 -0.187 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.858 -1.539 4.166 1.00 0.00 H new ATOM 466 N VAL A 29 3.219 -3.203 7.666 1.00 0.00 N ATOM 467 CA VAL A 29 4.180 -4.220 8.059 1.00 0.00 C ATOM 468 C VAL A 29 4.971 -3.726 9.272 1.00 0.00 C ATOM 469 O VAL A 29 5.813 -4.448 9.804 1.00 0.00 O ATOM 470 CB VAL A 29 5.072 -4.584 6.871 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.442 -6.069 6.898 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.403 -4.210 5.547 1.00 0.00 C ATOM 0 H VAL A 29 3.528 -2.595 6.907 1.00 0.00 H new ATOM 0 HA VAL A 29 3.668 -5.135 8.356 1.00 0.00 H new ATOM 0 HB VAL A 29 5.993 -4.007 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.076 -6.302 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.979 -6.294 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.535 -6.671 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.059 -4.480 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.459 -4.747 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.214 -3.137 5.525 1.00 0.00 H new ATOM 482 N GLU A 30 4.672 -2.500 9.675 1.00 0.00 N ATOM 483 CA GLU A 30 5.345 -1.901 10.815 1.00 0.00 C ATOM 484 C GLU A 30 5.356 -2.875 11.995 1.00 0.00 C ATOM 485 O GLU A 30 6.272 -2.849 12.816 1.00 0.00 O ATOM 486 CB GLU A 30 4.689 -0.575 11.204 1.00 0.00 C ATOM 487 CG GLU A 30 5.606 0.243 12.115 1.00 0.00 C ATOM 488 CD GLU A 30 4.981 0.429 13.499 1.00 0.00 C ATOM 489 OE1 GLU A 30 3.739 0.566 13.547 1.00 0.00 O ATOM 490 OE2 GLU A 30 5.759 0.430 14.478 1.00 0.00 O ATOM 0 H GLU A 30 3.972 -1.905 9.232 1.00 0.00 H new ATOM 0 HA GLU A 30 6.377 -1.689 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.458 -0.002 10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.744 -0.768 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.569 -0.258 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.797 1.217 11.665 1.00 0.00 H new ATOM 497 N ASN A 31 4.329 -3.710 12.042 1.00 0.00 N ATOM 498 CA ASN A 31 4.210 -4.690 13.109 1.00 0.00 C ATOM 499 C ASN A 31 3.284 -5.821 12.655 1.00 0.00 C ATOM 500 O ASN A 31 2.417 -6.258 13.410 1.00 0.00 O ATOM 501 CB ASN A 31 3.609 -4.063 14.368 1.00 0.00 C ATOM 502 CG ASN A 31 2.112 -3.800 14.189 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.265 -4.471 14.755 1.00 0.00 O ATOM 504 ND2 ASN A 31 1.835 -2.788 13.372 1.00 0.00 N ATOM 0 H ASN A 31 3.572 -3.729 11.359 1.00 0.00 H new ATOM 0 HA ASN A 31 5.208 -5.066 13.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.766 -4.726 15.219 1.00 0.00 H new ATOM 0 HB3 ASN A 31 4.122 -3.128 14.593 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.865 -2.533 13.187 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.593 -2.267 12.930 1.00 0.00 H new ATOM 511 N GLU A 32 3.499 -6.261 11.424 1.00 0.00 N ATOM 512 CA GLU A 32 2.695 -7.333 10.861 1.00 0.00 C ATOM 513 C GLU A 32 2.429 -8.408 11.917 1.00 0.00 C ATOM 514 O GLU A 32 3.178 -8.531 12.885 1.00 0.00 O ATOM 515 CB GLU A 32 3.368 -7.932 9.626 1.00 0.00 C ATOM 516 CG GLU A 32 4.891 -7.809 9.716 1.00 0.00 C ATOM 517 CD GLU A 32 5.579 -8.907 8.902 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.084 -9.182 7.788 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.585 -9.446 9.413 1.00 0.00 O ATOM 0 H GLU A 32 4.218 -5.895 10.800 1.00 0.00 H new ATOM 0 HA GLU A 32 1.738 -6.916 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.090 -8.981 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.011 -7.423 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.203 -6.831 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.204 -7.874 10.758 1.00 0.00 H new ATOM 526 N ASP A 33 1.360 -9.158 11.695 1.00 0.00 N ATOM 527 CA ASP A 33 0.986 -10.219 12.615 1.00 0.00 C ATOM 528 C ASP A 33 1.770 -11.487 12.270 1.00 0.00 C ATOM 529 O ASP A 33 2.238 -11.645 11.144 1.00 0.00 O ATOM 530 CB ASP A 33 -0.506 -10.541 12.506 1.00 0.00 C ATOM 531 CG ASP A 33 -1.212 -10.790 13.840 1.00 0.00 C ATOM 532 OD1 ASP A 33 -1.131 -11.942 14.319 1.00 0.00 O ATOM 533 OD2 ASP A 33 -1.817 -9.823 14.351 1.00 0.00 O ATOM 0 H ASP A 33 0.741 -9.052 10.891 1.00 0.00 H new ATOM 0 HA ASP A 33 1.210 -9.883 13.627 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.004 -9.716 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.627 -11.423 11.878 1.00 0.00 H new ATOM 538 N LYS A 34 1.889 -12.358 13.261 1.00 0.00 N ATOM 539 CA LYS A 34 2.608 -13.607 13.078 1.00 0.00 C ATOM 540 C LYS A 34 1.891 -14.454 12.024 1.00 0.00 C ATOM 541 O LYS A 34 2.385 -14.615 10.910 1.00 0.00 O ATOM 542 CB LYS A 34 2.794 -14.321 14.418 1.00 0.00 C ATOM 543 CG LYS A 34 4.108 -13.906 15.083 1.00 0.00 C ATOM 544 CD LYS A 34 5.154 -15.017 14.969 1.00 0.00 C ATOM 545 CE LYS A 34 5.584 -15.509 16.352 1.00 0.00 C ATOM 546 NZ LYS A 34 6.301 -14.441 17.083 1.00 0.00 N ATOM 0 H LYS A 34 1.499 -12.223 14.194 1.00 0.00 H new ATOM 0 HA LYS A 34 3.614 -13.415 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.959 -14.087 15.078 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.785 -15.400 14.263 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.485 -12.997 14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.931 -13.674 16.133 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.746 -15.848 14.394 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.023 -14.649 14.424 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.709 -15.823 16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.228 -16.383 16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.843 -14.860 17.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.951 -13.953 16.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.614 -13.759 17.463 1.00 0.00 H new ATOM 560 N ARG A 35 0.735 -14.972 12.415 1.00 0.00 N ATOM 561 CA ARG A 35 -0.055 -15.798 11.518 1.00 0.00 C ATOM 562 C ARG A 35 -0.761 -14.926 10.477 1.00 0.00 C ATOM 563 O ARG A 35 -1.393 -15.442 9.557 1.00 0.00 O ATOM 564 CB ARG A 35 -1.101 -16.605 12.291 1.00 0.00 C ATOM 565 CG ARG A 35 -2.135 -15.682 12.940 1.00 0.00 C ATOM 566 CD ARG A 35 -2.575 -16.225 14.301 1.00 0.00 C ATOM 567 NE ARG A 35 -2.216 -15.266 15.369 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.267 -15.546 16.679 1.00 0.00 C ATOM 569 NH1 ARG A 35 -2.664 -16.758 17.090 1.00 0.00 N ATOM 570 NH2 ARG A 35 -1.922 -14.613 17.577 1.00 0.00 N ATOM 0 H ARG A 35 0.327 -14.836 13.340 1.00 0.00 H new ATOM 0 HA ARG A 35 0.624 -16.489 11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.601 -17.300 11.616 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.610 -17.203 13.058 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.712 -14.685 13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.001 -15.584 12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.651 -16.397 14.302 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.098 -17.187 14.489 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.911 -14.333 15.091 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.927 -17.467 16.406 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.703 -16.971 18.087 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.621 -13.690 17.264 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.961 -14.826 18.574 1.00 0.00 H new ATOM 584 N LYS A 36 -0.628 -13.621 10.657 1.00 0.00 N ATOM 585 CA LYS A 36 -1.244 -12.672 9.745 1.00 0.00 C ATOM 586 C LYS A 36 -0.222 -11.601 9.362 1.00 0.00 C ATOM 587 O LYS A 36 -0.219 -10.509 9.929 1.00 0.00 O ATOM 588 CB LYS A 36 -2.531 -12.107 10.349 1.00 0.00 C ATOM 589 CG LYS A 36 -3.743 -12.949 9.946 1.00 0.00 C ATOM 590 CD LYS A 36 -5.048 -12.263 10.353 1.00 0.00 C ATOM 591 CE LYS A 36 -5.540 -11.323 9.251 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.381 -12.059 8.280 1.00 0.00 N ATOM 0 H LYS A 36 -0.102 -13.197 11.422 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.544 -13.170 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.446 -12.082 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.672 -11.079 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.735 -13.112 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.682 -13.930 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.809 -13.015 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.896 -11.701 11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.112 -10.506 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.688 -10.876 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.707 -11.407 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.824 -12.824 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.204 -12.464 8.770 1.00 0.00 H new ATOM 606 N PRO A 37 0.645 -11.959 8.377 1.00 0.00 N ATOM 607 CA PRO A 37 1.670 -11.041 7.912 1.00 0.00 C ATOM 608 C PRO A 37 1.067 -9.946 7.030 1.00 0.00 C ATOM 609 O PRO A 37 -0.131 -9.675 7.103 1.00 0.00 O ATOM 610 CB PRO A 37 2.674 -11.912 7.174 1.00 0.00 C ATOM 611 CG PRO A 37 1.944 -13.206 6.853 1.00 0.00 C ATOM 612 CD PRO A 37 0.672 -13.243 7.683 1.00 0.00 C ATOM 0 HA PRO A 37 2.153 -10.503 8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.021 -11.423 6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.554 -12.102 7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.708 -13.257 5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.574 -14.066 7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.208 -13.371 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.683 -14.074 8.388 1.00 0.00 H new ATOM 620 N TYR A 38 1.923 -9.346 6.216 1.00 0.00 N ATOM 621 CA TYR A 38 1.489 -8.287 5.321 1.00 0.00 C ATOM 622 C TYR A 38 2.380 -8.220 4.079 1.00 0.00 C ATOM 623 O TYR A 38 3.032 -7.206 3.833 1.00 0.00 O ATOM 624 CB TYR A 38 1.633 -6.984 6.109 1.00 0.00 C ATOM 625 CG TYR A 38 0.573 -6.793 7.196 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.723 -7.214 6.976 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.913 -6.200 8.395 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.721 -7.034 7.999 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.085 -6.021 9.417 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.353 -6.447 9.169 1.00 0.00 C ATOM 631 OH TYR A 38 -2.295 -6.277 10.135 1.00 0.00 O ATOM 0 H TYR A 38 2.916 -9.573 6.158 1.00 0.00 H new ATOM 0 HA TYR A 38 0.467 -8.462 4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.620 -6.958 6.570 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.583 -6.145 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.989 -7.678 6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.927 -5.870 8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.739 -7.358 7.840 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.167 -5.559 10.360 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.889 -5.846 10.916 1.00 0.00 H new ATOM 641 N SER A 39 2.380 -9.313 3.330 1.00 0.00 N ATOM 642 CA SER A 39 3.181 -9.390 2.120 1.00 0.00 C ATOM 643 C SER A 39 2.526 -8.570 1.006 1.00 0.00 C ATOM 644 O SER A 39 1.562 -7.846 1.248 1.00 0.00 O ATOM 645 CB SER A 39 3.364 -10.842 1.673 1.00 0.00 C ATOM 646 OG SER A 39 2.378 -11.703 2.236 1.00 0.00 O ATOM 0 H SER A 39 1.838 -10.152 3.537 1.00 0.00 H new ATOM 0 HA SER A 39 4.167 -8.977 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.313 -10.895 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.356 -11.188 1.963 1.00 0.00 H new ATOM 0 HG SER A 39 2.529 -12.620 1.925 1.00 0.00 H new ATOM 652 N ASP A 40 3.076 -8.713 -0.191 1.00 0.00 N ATOM 653 CA ASP A 40 2.557 -7.994 -1.343 1.00 0.00 C ATOM 654 C ASP A 40 1.087 -8.364 -1.550 1.00 0.00 C ATOM 655 O ASP A 40 0.285 -7.528 -1.963 1.00 0.00 O ATOM 656 CB ASP A 40 3.322 -8.367 -2.614 1.00 0.00 C ATOM 657 CG ASP A 40 3.425 -9.869 -2.890 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.255 -10.514 -2.213 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.672 -10.337 -3.771 1.00 0.00 O ATOM 0 H ASP A 40 3.875 -9.315 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 40 2.670 -6.927 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.837 -7.889 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.329 -7.955 -2.548 1.00 0.00 H new ATOM 664 N GLN A 41 0.778 -9.618 -1.253 1.00 0.00 N ATOM 665 CA GLN A 41 -0.582 -10.109 -1.401 1.00 0.00 C ATOM 666 C GLN A 41 -1.519 -9.374 -0.440 1.00 0.00 C ATOM 667 O GLN A 41 -2.568 -8.878 -0.849 1.00 0.00 O ATOM 668 CB GLN A 41 -0.646 -11.622 -1.180 1.00 0.00 C ATOM 669 CG GLN A 41 -1.846 -11.998 -0.308 1.00 0.00 C ATOM 670 CD GLN A 41 -3.161 -11.646 -1.005 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.199 -11.278 -2.168 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.236 -11.779 -0.233 1.00 0.00 N ATOM 0 H GLN A 41 1.446 -10.309 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.911 -9.910 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.717 -12.131 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.274 -11.963 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.821 -13.065 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.785 -11.475 0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.135 -12.092 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.161 -11.568 -0.607 1.00 0.00 H new ATOM 681 N GLU A 42 -1.107 -9.328 0.818 1.00 0.00 N ATOM 682 CA GLU A 42 -1.896 -8.662 1.840 1.00 0.00 C ATOM 683 C GLU A 42 -2.020 -7.169 1.527 1.00 0.00 C ATOM 684 O GLU A 42 -3.114 -6.678 1.250 1.00 0.00 O ATOM 685 CB GLU A 42 -1.294 -8.882 3.229 1.00 0.00 C ATOM 686 CG GLU A 42 -2.384 -9.197 4.256 1.00 0.00 C ATOM 687 CD GLU A 42 -3.262 -10.358 3.785 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.724 -11.485 3.715 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.451 -10.093 3.504 1.00 0.00 O ATOM 0 H GLU A 42 -0.237 -9.741 1.153 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.895 -9.098 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.576 -9.701 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.746 -7.992 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.926 -9.448 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.001 -8.313 4.420 1.00 0.00 H new ATOM 696 N ILE A 43 -0.884 -6.490 1.580 1.00 0.00 N ATOM 697 CA ILE A 43 -0.852 -5.063 1.305 1.00 0.00 C ATOM 698 C ILE A 43 -1.710 -4.766 0.074 1.00 0.00 C ATOM 699 O ILE A 43 -2.514 -3.836 0.084 1.00 0.00 O ATOM 700 CB ILE A 43 0.593 -4.574 1.181 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.048 -3.876 2.464 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.766 -3.681 -0.049 1.00 0.00 C ATOM 703 CD1 ILE A 43 1.864 -4.824 3.345 1.00 0.00 C ATOM 0 H ILE A 43 0.021 -6.901 1.809 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.283 -4.505 2.136 1.00 0.00 H new ATOM 0 HB ILE A 43 1.236 -5.443 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.647 -3.001 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.178 -3.519 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.802 -3.347 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.510 -4.244 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.110 -2.814 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.175 -4.302 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.254 -5.686 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.746 -5.160 2.799 1.00 0.00 H new ATOM 715 N ALA A 44 -1.508 -5.573 -0.957 1.00 0.00 N ATOM 716 CA ALA A 44 -2.253 -5.408 -2.193 1.00 0.00 C ATOM 717 C ALA A 44 -3.752 -5.493 -1.896 1.00 0.00 C ATOM 718 O ALA A 44 -4.537 -4.699 -2.413 1.00 0.00 O ATOM 719 CB ALA A 44 -1.800 -6.460 -3.207 1.00 0.00 C ATOM 0 H ALA A 44 -0.839 -6.343 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.058 -4.429 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.359 -6.336 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.735 -6.339 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.982 -7.456 -2.804 1.00 0.00 H new ATOM 725 N ASN A 45 -4.104 -6.462 -1.064 1.00 0.00 N ATOM 726 CA ASN A 45 -5.494 -6.661 -0.692 1.00 0.00 C ATOM 727 C ASN A 45 -5.964 -5.478 0.157 1.00 0.00 C ATOM 728 O ASN A 45 -7.147 -5.138 0.153 1.00 0.00 O ATOM 729 CB ASN A 45 -5.665 -7.935 0.137 1.00 0.00 C ATOM 730 CG ASN A 45 -5.929 -9.144 -0.763 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.034 -9.654 -0.854 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.856 -9.573 -1.421 1.00 0.00 N ATOM 0 H ASN A 45 -3.450 -7.118 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.080 -6.745 -1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.768 -8.109 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.492 -7.810 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.929 -10.375 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.960 -9.100 -1.299 1.00 0.00 H new ATOM 739 N ILE A 46 -5.015 -4.883 0.863 1.00 0.00 N ATOM 740 CA ILE A 46 -5.317 -3.745 1.715 1.00 0.00 C ATOM 741 C ILE A 46 -5.746 -2.562 0.845 1.00 0.00 C ATOM 742 O ILE A 46 -6.642 -1.806 1.217 1.00 0.00 O ATOM 743 CB ILE A 46 -4.134 -3.435 2.635 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.210 -4.259 3.922 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.040 -1.935 2.919 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.053 -3.915 4.862 1.00 0.00 C ATOM 0 H ILE A 46 -4.035 -5.167 0.863 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.153 -3.975 2.376 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.217 -3.724 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.159 -4.070 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.183 -5.321 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.191 -1.741 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.905 -1.395 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.957 -1.598 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.131 -4.514 5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.106 -4.128 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.097 -2.857 5.121 1.00 0.00 H new ATOM 758 N LEU A 47 -5.086 -2.439 -0.298 1.00 0.00 N ATOM 759 CA LEU A 47 -5.387 -1.361 -1.224 1.00 0.00 C ATOM 760 C LEU A 47 -6.874 -1.404 -1.583 1.00 0.00 C ATOM 761 O LEU A 47 -7.504 -0.362 -1.761 1.00 0.00 O ATOM 762 CB LEU A 47 -4.459 -1.423 -2.439 1.00 0.00 C ATOM 763 CG LEU A 47 -4.977 -2.220 -3.638 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.692 -1.307 -4.635 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.847 -3.014 -4.296 1.00 0.00 C ATOM 0 H LEU A 47 -4.344 -3.069 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.199 -0.394 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.253 -0.404 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.509 -1.854 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.711 -2.941 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.050 -1.898 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.537 -0.824 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.998 -0.547 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.241 -3.572 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.073 -2.328 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.421 -3.709 -3.572 1.00 0.00 H new ATOM 777 N LYS A 48 -7.392 -2.619 -1.678 1.00 0.00 N ATOM 778 CA LYS A 48 -8.793 -2.812 -2.013 1.00 0.00 C ATOM 779 C LYS A 48 -9.662 -2.062 -1.001 1.00 0.00 C ATOM 780 O LYS A 48 -10.790 -1.681 -1.308 1.00 0.00 O ATOM 781 CB LYS A 48 -9.119 -4.303 -2.118 1.00 0.00 C ATOM 782 CG LYS A 48 -9.321 -4.718 -3.577 1.00 0.00 C ATOM 783 CD LYS A 48 -10.378 -5.818 -3.693 1.00 0.00 C ATOM 784 CE LYS A 48 -9.761 -7.198 -3.459 1.00 0.00 C ATOM 785 NZ LYS A 48 -10.765 -8.261 -3.687 1.00 0.00 N ATOM 0 H LYS A 48 -6.867 -3.481 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.011 -2.392 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.311 -4.888 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.020 -4.523 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.625 -3.853 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.377 -5.071 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.172 -5.643 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.837 -5.784 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.913 -7.342 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.378 -7.264 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.329 -9.191 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.562 -8.132 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.111 -8.208 -4.666 1.00 0.00 H new ATOM 799 N GLU A 49 -9.104 -1.874 0.186 1.00 0.00 N ATOM 800 CA GLU A 49 -9.813 -1.177 1.245 1.00 0.00 C ATOM 801 C GLU A 49 -10.537 0.048 0.682 1.00 0.00 C ATOM 802 O GLU A 49 -11.554 0.477 1.224 1.00 0.00 O ATOM 803 CB GLU A 49 -8.861 -0.780 2.374 1.00 0.00 C ATOM 804 CG GLU A 49 -8.366 -2.014 3.133 1.00 0.00 C ATOM 805 CD GLU A 49 -9.136 -2.198 4.442 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.015 -1.299 5.303 1.00 0.00 O ATOM 807 OE2 GLU A 49 -9.828 -3.232 4.553 1.00 0.00 O ATOM 0 H GLU A 49 -8.168 -2.193 0.438 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.557 -1.854 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.011 -0.236 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.369 -0.105 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.484 -2.900 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.301 -1.913 3.344 1.00 0.00 H new ATOM 814 N LYS A 50 -9.983 0.578 -0.399 1.00 0.00 N ATOM 815 CA LYS A 50 -10.563 1.746 -1.041 1.00 0.00 C ATOM 816 C LYS A 50 -9.923 1.935 -2.418 1.00 0.00 C ATOM 817 O LYS A 50 -10.603 2.297 -3.378 1.00 0.00 O ATOM 818 CB LYS A 50 -10.442 2.971 -0.134 1.00 0.00 C ATOM 819 CG LYS A 50 -11.584 3.957 -0.389 1.00 0.00 C ATOM 820 CD LYS A 50 -11.101 5.155 -1.210 1.00 0.00 C ATOM 821 CE LYS A 50 -12.249 6.127 -1.489 1.00 0.00 C ATOM 822 NZ LYS A 50 -12.646 6.064 -2.913 1.00 0.00 N ATOM 0 H LYS A 50 -9.139 0.220 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.631 1.602 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.454 2.658 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.486 3.464 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.394 3.453 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.990 4.303 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.305 5.671 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.677 4.808 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.102 5.883 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.944 7.142 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.426 6.730 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.834 6.319 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.957 5.099 -3.144 1.00 0.00 H new ATOM 836 N GLY A 51 -8.624 1.682 -2.472 1.00 0.00 N ATOM 837 CA GLY A 51 -7.885 1.820 -3.715 1.00 0.00 C ATOM 838 C GLY A 51 -6.395 2.042 -3.446 1.00 0.00 C ATOM 839 O GLY A 51 -5.568 1.196 -3.780 1.00 0.00 O ATOM 0 H GLY A 51 -8.064 1.382 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.019 0.925 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.283 2.657 -4.288 1.00 0.00 H new ATOM 843 N PHE A 52 -6.099 3.186 -2.846 1.00 0.00 N ATOM 844 CA PHE A 52 -4.724 3.530 -2.528 1.00 0.00 C ATOM 845 C PHE A 52 -3.859 3.554 -3.790 1.00 0.00 C ATOM 846 O PHE A 52 -2.633 3.593 -3.706 1.00 0.00 O ATOM 847 CB PHE A 52 -4.198 2.446 -1.584 1.00 0.00 C ATOM 848 CG PHE A 52 -4.329 2.797 -0.101 1.00 0.00 C ATOM 849 CD1 PHE A 52 -5.215 3.748 0.298 1.00 0.00 C ATOM 850 CD2 PHE A 52 -3.558 2.157 0.819 1.00 0.00 C ATOM 851 CE1 PHE A 52 -5.337 4.073 1.675 1.00 0.00 C ATOM 852 CE2 PHE A 52 -3.679 2.482 2.196 1.00 0.00 C ATOM 853 CZ PHE A 52 -4.566 3.433 2.595 1.00 0.00 C ATOM 0 H PHE A 52 -6.788 3.886 -2.572 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.684 4.520 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.737 1.518 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.149 2.258 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.826 4.257 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.854 1.402 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.042 4.828 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.067 1.974 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.658 3.680 3.642 1.00 0.00 H new ATOM 863 N LYS A 53 -4.533 3.528 -4.931 1.00 0.00 N ATOM 864 CA LYS A 53 -3.841 3.547 -6.209 1.00 0.00 C ATOM 865 C LYS A 53 -2.670 2.563 -6.164 1.00 0.00 C ATOM 866 O LYS A 53 -1.514 2.962 -6.294 1.00 0.00 O ATOM 867 CB LYS A 53 -3.431 4.974 -6.576 1.00 0.00 C ATOM 868 CG LYS A 53 -3.599 5.224 -8.076 1.00 0.00 C ATOM 869 CD LYS A 53 -2.283 5.686 -8.705 1.00 0.00 C ATOM 870 CE LYS A 53 -1.635 4.558 -9.511 1.00 0.00 C ATOM 871 NZ LYS A 53 -0.518 5.080 -10.329 1.00 0.00 N ATOM 0 H LYS A 53 -5.550 3.494 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.506 3.217 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.037 5.686 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.393 5.143 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.939 4.311 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.369 5.978 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.467 6.542 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.599 6.019 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.268 3.785 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.379 4.091 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.090 4.301 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.877 5.801 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.199 5.505 -9.707 1.00 0.00 H new ATOM 885 N VAL A 54 -3.011 1.295 -5.980 1.00 0.00 N ATOM 886 CA VAL A 54 -2.002 0.251 -5.917 1.00 0.00 C ATOM 887 C VAL A 54 -2.389 -0.884 -6.867 1.00 0.00 C ATOM 888 O VAL A 54 -3.228 -0.702 -7.748 1.00 0.00 O ATOM 889 CB VAL A 54 -1.822 -0.215 -4.471 1.00 0.00 C ATOM 890 CG1 VAL A 54 -0.375 -0.637 -4.208 1.00 0.00 C ATOM 891 CG2 VAL A 54 -2.264 0.869 -3.486 1.00 0.00 C ATOM 0 H VAL A 54 -3.971 0.968 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.035 0.633 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.459 -1.086 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.274 -0.964 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.108 -1.457 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.289 0.208 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.126 0.512 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.666 1.767 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.316 1.102 -3.649 1.00 0.00 H new ATOM 901 N ALA A 55 -1.759 -2.030 -6.656 1.00 0.00 N ATOM 902 CA ALA A 55 -2.027 -3.194 -7.483 1.00 0.00 C ATOM 903 C ALA A 55 -0.849 -4.166 -7.385 1.00 0.00 C ATOM 904 O ALA A 55 0.295 -3.746 -7.215 1.00 0.00 O ATOM 905 CB ALA A 55 -2.296 -2.748 -8.921 1.00 0.00 C ATOM 0 H ALA A 55 -1.064 -2.177 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.917 -3.717 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.497 -3.621 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.159 -2.083 -8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.424 -2.221 -9.308 1.00 0.00 H new ATOM 911 N ARG A 56 -1.169 -5.447 -7.495 1.00 0.00 N ATOM 912 CA ARG A 56 -0.151 -6.482 -7.421 1.00 0.00 C ATOM 913 C ARG A 56 1.162 -5.978 -8.022 1.00 0.00 C ATOM 914 O ARG A 56 2.227 -6.154 -7.432 1.00 0.00 O ATOM 915 CB ARG A 56 -0.594 -7.743 -8.165 1.00 0.00 C ATOM 916 CG ARG A 56 -1.845 -8.347 -7.524 1.00 0.00 C ATOM 917 CD ARG A 56 -1.927 -9.851 -7.790 1.00 0.00 C ATOM 918 NE ARG A 56 -1.044 -10.580 -6.852 1.00 0.00 N ATOM 919 CZ ARG A 56 -0.694 -11.866 -6.995 1.00 0.00 C ATOM 920 NH1 ARG A 56 -1.149 -12.572 -8.039 1.00 0.00 N ATOM 921 NH2 ARG A 56 0.112 -12.445 -6.095 1.00 0.00 N ATOM 0 H ARG A 56 -2.119 -5.792 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.002 -6.728 -6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.796 -7.502 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.213 -8.476 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.831 -8.165 -6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.734 -7.855 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.955 -10.193 -7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.634 -10.063 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.679 -10.072 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.762 -12.131 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.883 -13.551 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.459 -11.907 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.378 -13.424 -6.204 1.00 0.00 H new ATOM 935 N ARG A 57 1.044 -5.362 -9.189 1.00 0.00 N ATOM 936 CA ARG A 57 2.209 -4.831 -9.877 1.00 0.00 C ATOM 937 C ARG A 57 2.895 -3.768 -9.016 1.00 0.00 C ATOM 938 O ARG A 57 4.093 -3.858 -8.751 1.00 0.00 O ATOM 939 CB ARG A 57 1.822 -4.216 -11.223 1.00 0.00 C ATOM 940 CG ARG A 57 3.065 -3.837 -12.031 1.00 0.00 C ATOM 941 CD ARG A 57 3.797 -5.085 -12.527 1.00 0.00 C ATOM 942 NE ARG A 57 3.781 -5.127 -14.006 1.00 0.00 N ATOM 943 CZ ARG A 57 4.426 -4.253 -14.790 1.00 0.00 C ATOM 944 NH1 ARG A 57 5.143 -3.263 -14.241 1.00 0.00 N ATOM 945 NH2 ARG A 57 4.354 -4.368 -16.123 1.00 0.00 N ATOM 0 H ARG A 57 0.159 -5.219 -9.676 1.00 0.00 H new ATOM 0 HA ARG A 57 2.895 -5.659 -10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.217 -4.924 -11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.207 -3.331 -11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.776 -3.218 -12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.736 -3.239 -11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.826 -5.081 -12.166 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.322 -5.979 -12.124 1.00 0.00 H new ATOM 0 HE ARG A 57 3.245 -5.868 -14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.198 -3.175 -13.226 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.634 -2.597 -14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.808 -5.121 -16.541 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.845 -3.702 -16.720 1.00 0.00 H new ATOM 959 N THR A 58 2.107 -2.787 -8.604 1.00 0.00 N ATOM 960 CA THR A 58 2.623 -1.708 -7.779 1.00 0.00 C ATOM 961 C THR A 58 3.187 -2.261 -6.469 1.00 0.00 C ATOM 962 O THR A 58 4.275 -1.875 -6.045 1.00 0.00 O ATOM 963 CB THR A 58 1.500 -0.689 -7.575 1.00 0.00 C ATOM 964 OG1 THR A 58 1.573 0.144 -8.729 1.00 0.00 O ATOM 965 CG2 THR A 58 1.777 0.262 -6.410 1.00 0.00 C ATOM 0 H THR A 58 1.114 -2.716 -8.826 1.00 0.00 H new ATOM 0 HA THR A 58 3.456 -1.201 -8.267 1.00 0.00 H new ATOM 0 HB THR A 58 0.561 -1.214 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.878 0.833 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.949 0.964 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.881 -0.312 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.698 0.812 -6.601 1.00 0.00 H new ATOM 973 N VAL A 59 2.421 -3.158 -5.865 1.00 0.00 N ATOM 974 CA VAL A 59 2.831 -3.769 -4.611 1.00 0.00 C ATOM 975 C VAL A 59 4.157 -4.503 -4.816 1.00 0.00 C ATOM 976 O VAL A 59 5.073 -4.376 -4.005 1.00 0.00 O ATOM 977 CB VAL A 59 1.719 -4.678 -4.085 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.891 -4.943 -2.587 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.340 -4.087 -4.383 1.00 0.00 C ATOM 0 H VAL A 59 1.519 -3.476 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 59 2.997 -3.006 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 59 1.793 -5.633 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.088 -5.592 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.851 -5.428 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.857 -3.998 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.432 -4.753 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.250 -3.112 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.218 -3.974 -5.460 1.00 0.00 H new ATOM 989 N ALA A 60 4.219 -5.255 -5.905 1.00 0.00 N ATOM 990 CA ALA A 60 5.418 -6.010 -6.227 1.00 0.00 C ATOM 991 C ALA A 60 6.626 -5.072 -6.208 1.00 0.00 C ATOM 992 O ALA A 60 7.681 -5.423 -5.681 1.00 0.00 O ATOM 993 CB ALA A 60 5.238 -6.701 -7.580 1.00 0.00 C ATOM 0 H ALA A 60 3.458 -5.358 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 60 5.593 -6.788 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.137 -7.267 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.385 -7.378 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.063 -5.951 -8.351 1.00 0.00 H new ATOM 999 N LYS A 61 6.433 -3.897 -6.789 1.00 0.00 N ATOM 1000 CA LYS A 61 7.493 -2.906 -6.846 1.00 0.00 C ATOM 1001 C LYS A 61 7.845 -2.460 -5.425 1.00 0.00 C ATOM 1002 O LYS A 61 9.019 -2.332 -5.083 1.00 0.00 O ATOM 1003 CB LYS A 61 7.102 -1.754 -7.773 1.00 0.00 C ATOM 1004 CG LYS A 61 7.248 -2.157 -9.241 1.00 0.00 C ATOM 1005 CD LYS A 61 7.394 -0.925 -10.137 1.00 0.00 C ATOM 1006 CE LYS A 61 8.835 -0.412 -10.132 1.00 0.00 C ATOM 1007 NZ LYS A 61 8.876 1.013 -9.734 1.00 0.00 N ATOM 0 H LYS A 61 5.557 -3.609 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 61 8.395 -3.339 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.072 -1.457 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.730 -0.887 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.118 -2.802 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.378 -2.735 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.096 -1.174 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.723 -0.138 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.436 -1.006 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.273 -0.532 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.861 1.346 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.319 1.577 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.477 1.118 -8.780 1.00 0.00 H new ATOM 1021 N TYR A 62 6.804 -2.235 -4.635 1.00 0.00 N ATOM 1022 CA TYR A 62 6.988 -1.806 -3.259 1.00 0.00 C ATOM 1023 C TYR A 62 7.674 -2.895 -2.432 1.00 0.00 C ATOM 1024 O TYR A 62 8.549 -2.604 -1.619 1.00 0.00 O ATOM 1025 CB TYR A 62 5.584 -1.566 -2.701 1.00 0.00 C ATOM 1026 CG TYR A 62 4.945 -0.256 -3.165 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.727 0.868 -3.343 1.00 0.00 C ATOM 1028 CD2 TYR A 62 3.588 -0.197 -3.406 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.126 2.101 -3.779 1.00 0.00 C ATOM 1030 CE2 TYR A 62 2.986 1.036 -3.842 1.00 0.00 C ATOM 1031 CZ TYR A 62 3.785 2.125 -4.007 1.00 0.00 C ATOM 1032 OH TYR A 62 3.217 3.290 -4.420 1.00 0.00 O ATOM 0 H TYR A 62 5.831 -2.342 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 62 7.613 -0.914 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.941 -2.396 -2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.632 -1.569 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.790 0.822 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.977 -1.076 -3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.726 2.987 -3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.925 1.095 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 62 2.393 3.095 -4.914 1.00 0.00 H new ATOM 1042 N ARG A 63 7.250 -4.128 -2.669 1.00 0.00 N ATOM 1043 CA ARG A 63 7.812 -5.263 -1.956 1.00 0.00 C ATOM 1044 C ARG A 63 9.333 -5.291 -2.119 1.00 0.00 C ATOM 1045 O ARG A 63 10.058 -5.570 -1.165 1.00 0.00 O ATOM 1046 CB ARG A 63 7.226 -6.580 -2.467 1.00 0.00 C ATOM 1047 CG ARG A 63 6.821 -7.488 -1.305 1.00 0.00 C ATOM 1048 CD ARG A 63 6.996 -8.963 -1.674 1.00 0.00 C ATOM 1049 NE ARG A 63 7.118 -9.781 -0.446 1.00 0.00 N ATOM 1050 CZ ARG A 63 7.083 -11.120 -0.430 1.00 0.00 C ATOM 1051 NH1 ARG A 63 6.930 -11.801 -1.574 1.00 0.00 N ATOM 1052 NH2 ARG A 63 7.201 -11.779 0.731 1.00 0.00 N ATOM 0 H ARG A 63 6.524 -4.366 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 63 7.558 -5.151 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.358 -6.377 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.959 -7.089 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.426 -7.255 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.782 -7.298 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.144 -9.302 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.884 -9.088 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 63 7.236 -9.295 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.840 -11.300 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.903 -12.821 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.317 -11.261 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.174 -12.799 0.744 1.00 0.00 H new ATOM 1066 N GLU A 64 9.771 -5.000 -3.335 1.00 0.00 N ATOM 1067 CA GLU A 64 11.193 -4.989 -3.635 1.00 0.00 C ATOM 1068 C GLU A 64 11.873 -3.809 -2.938 1.00 0.00 C ATOM 1069 O GLU A 64 13.022 -3.915 -2.511 1.00 0.00 O ATOM 1070 CB GLU A 64 11.434 -4.946 -5.146 1.00 0.00 C ATOM 1071 CG GLU A 64 12.529 -5.934 -5.554 1.00 0.00 C ATOM 1072 CD GLU A 64 12.939 -5.725 -7.013 1.00 0.00 C ATOM 1073 OE1 GLU A 64 13.323 -4.580 -7.336 1.00 0.00 O ATOM 1074 OE2 GLU A 64 12.859 -6.715 -7.772 1.00 0.00 O ATOM 0 H GLU A 64 9.167 -4.770 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 64 11.632 -5.912 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.510 -5.184 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.720 -3.937 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.397 -5.808 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.173 -6.955 -5.415 1.00 0.00 H new ATOM 1081 N MET A 65 11.136 -2.712 -2.845 1.00 0.00 N ATOM 1082 CA MET A 65 11.654 -1.514 -2.207 1.00 0.00 C ATOM 1083 C MET A 65 11.852 -1.734 -0.706 1.00 0.00 C ATOM 1084 O MET A 65 12.817 -1.239 -0.125 1.00 0.00 O ATOM 1085 CB MET A 65 10.680 -0.355 -2.430 1.00 0.00 C ATOM 1086 CG MET A 65 11.172 0.569 -3.545 1.00 0.00 C ATOM 1087 SD MET A 65 10.545 0.012 -5.121 1.00 0.00 S ATOM 1088 CE MET A 65 8.912 0.731 -5.076 1.00 0.00 C ATOM 0 H MET A 65 10.184 -2.628 -3.201 1.00 0.00 H new ATOM 0 HA MET A 65 12.621 -1.278 -2.651 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.696 -0.747 -2.686 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.567 0.212 -1.506 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.843 1.590 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.262 0.583 -3.562 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.235 0.136 -5.689 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.550 0.748 -4.048 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.952 1.749 -5.463 1.00 0.00 H new ATOM 1098 N LEU A 66 10.923 -2.476 -0.122 1.00 0.00 N ATOM 1099 CA LEU A 66 10.983 -2.767 1.301 1.00 0.00 C ATOM 1100 C LEU A 66 11.915 -3.958 1.534 1.00 0.00 C ATOM 1101 O LEU A 66 12.956 -3.821 2.174 1.00 0.00 O ATOM 1102 CB LEU A 66 9.576 -2.967 1.867 1.00 0.00 C ATOM 1103 CG LEU A 66 8.543 -1.905 1.486 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.166 -2.534 1.266 1.00 0.00 C ATOM 1105 CD2 LEU A 66 8.501 -0.783 2.526 1.00 0.00 C ATOM 0 H LEU A 66 10.125 -2.885 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 66 11.403 -1.921 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.208 -3.938 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.645 -3.005 2.954 1.00 0.00 H new ATOM 0 HG LEU A 66 8.847 -1.456 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.450 -1.757 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.225 -3.268 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.840 -3.026 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.759 -0.041 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.234 -1.198 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.481 -0.310 2.591 1.00 0.00 H new ATOM 1117 N GLY A 67 11.507 -5.101 1.001 1.00 0.00 N ATOM 1118 CA GLY A 67 12.292 -6.315 1.144 1.00 0.00 C ATOM 1119 C GLY A 67 12.437 -7.035 -0.199 1.00 0.00 C ATOM 1120 O GLY A 67 12.942 -8.155 -0.256 1.00 0.00 O ATOM 0 H GLY A 67 10.643 -5.211 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.278 -6.070 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.816 -6.978 1.867 1.00 0.00 H new TER 1124 GLY A 67