USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -107:sc= -0.452 (180deg=-3.33!) USER MOD Single : A 20 TYR OH : rot 180:sc=-0.00652 USER MOD Single : A 21 SER OG : rot 146:sc= 1.1 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -15:sc= 0.606 USER MOD Single : A 47 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.5) USER MOD Single : A 61 TYR OH : rot 84:sc= 0.574 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -111:sc= -4.3! (180deg=-9.25!) USER MOD Single : A 72 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-4.7!) USER MOD Single : A 73 SER OG : rot 180:sc=-0.000894 USER MOD Single : A 74 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-5.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.892 -2.854 2.426 1.00 0.00 N ATOM 63 CA LEU A 8 13.133 -1.614 2.438 1.00 0.00 C ATOM 64 C LEU A 8 11.907 -1.763 1.534 1.00 0.00 C ATOM 65 O LEU A 8 10.778 -1.548 1.973 1.00 0.00 O ATOM 66 CB LEU A 8 14.032 -0.432 2.066 1.00 0.00 C ATOM 67 CG LEU A 8 14.728 0.273 3.232 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.364 1.587 2.776 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.765 0.477 4.404 1.00 0.00 C ATOM 0 HA LEU A 8 12.765 -1.402 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.795 -0.786 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.430 0.302 1.530 1.00 0.00 H new ATOM 0 HG LEU A 8 15.534 -0.369 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.852 2.068 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.102 1.384 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.592 2.246 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.285 0.980 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.922 1.087 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.401 -0.491 4.749 1.00 0.00 H new ATOM 80 N ARG A 9 12.171 -2.127 0.288 1.00 0.00 N ATOM 81 CA ARG A 9 11.104 -2.307 -0.682 1.00 0.00 C ATOM 82 C ARG A 9 10.254 -3.525 -0.315 1.00 0.00 C ATOM 83 O ARG A 9 9.041 -3.523 -0.517 1.00 0.00 O ATOM 84 CB ARG A 9 11.667 -2.493 -2.092 1.00 0.00 C ATOM 85 CG ARG A 9 10.541 -2.673 -3.112 1.00 0.00 C ATOM 86 CD ARG A 9 10.798 -3.891 -4.003 1.00 0.00 C ATOM 87 NE ARG A 9 10.889 -5.113 -3.175 1.00 0.00 N ATOM 88 CZ ARG A 9 10.817 -6.359 -3.664 1.00 0.00 C ATOM 89 NH1 ARG A 9 10.653 -6.554 -4.979 1.00 0.00 N ATOM 90 NH2 ARG A 9 10.910 -7.409 -2.838 1.00 0.00 N ATOM 0 H ARG A 9 13.109 -2.302 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 9 10.486 -1.409 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.273 -1.628 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.324 -3.362 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.590 -2.792 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.457 -1.778 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.994 -3.995 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.722 -3.753 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 9 11.014 -5.001 -2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.583 -5.754 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.598 -7.502 -5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.036 -7.261 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.855 -8.357 -3.210 1.00 0.00 H new ATOM 101 N LYS A 10 10.924 -4.536 0.219 1.00 0.00 N ATOM 102 CA LYS A 10 10.244 -5.758 0.615 1.00 0.00 C ATOM 103 C LYS A 10 9.312 -5.459 1.791 1.00 0.00 C ATOM 104 O LYS A 10 8.355 -6.194 2.032 1.00 0.00 O ATOM 105 CB LYS A 10 11.258 -6.866 0.902 1.00 0.00 C ATOM 106 CG LYS A 10 10.595 -8.046 1.615 1.00 0.00 C ATOM 107 CD LYS A 10 9.373 -8.540 0.838 1.00 0.00 C ATOM 108 CE LYS A 10 9.793 -9.408 -0.350 1.00 0.00 C ATOM 109 NZ LYS A 10 8.735 -10.392 -0.673 1.00 0.00 N ATOM 0 H LYS A 10 11.930 -4.534 0.387 1.00 0.00 H new ATOM 0 HA LYS A 10 9.622 -6.129 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.705 -7.206 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.067 -6.473 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.313 -8.859 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.295 -7.747 2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.724 -9.113 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.794 -7.687 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.989 -8.778 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.723 -9.928 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.036 -10.973 -1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.568 -11.005 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.857 -9.890 -0.915 1.00 0.00 H new ATOM 119 N MET A 11 9.624 -4.379 2.493 1.00 0.00 N ATOM 120 CA MET A 11 8.825 -3.974 3.638 1.00 0.00 C ATOM 121 C MET A 11 7.548 -3.260 3.189 1.00 0.00 C ATOM 122 O MET A 11 6.455 -3.593 3.646 1.00 0.00 O ATOM 123 CB MET A 11 9.647 -3.040 4.527 1.00 0.00 C ATOM 124 CG MET A 11 10.741 -3.811 5.269 1.00 0.00 C ATOM 125 SD MET A 11 10.705 -3.404 7.005 1.00 0.00 S ATOM 126 CE MET A 11 11.818 -2.007 7.021 1.00 0.00 C ATOM 0 H MET A 11 10.419 -3.772 2.291 1.00 0.00 H new ATOM 0 HA MET A 11 8.543 -4.867 4.196 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.098 -2.257 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.993 -2.547 5.246 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.596 -4.883 5.135 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.717 -3.567 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.763 -2.300 7.478 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.998 -1.673 5.999 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.374 -1.194 7.595 1.00 0.00 H new ATOM 134 N VAL A 12 7.728 -2.293 2.303 1.00 0.00 N ATOM 135 CA VAL A 12 6.604 -1.530 1.789 1.00 0.00 C ATOM 136 C VAL A 12 5.800 -2.401 0.822 1.00 0.00 C ATOM 137 O VAL A 12 4.627 -2.134 0.567 1.00 0.00 O ATOM 138 CB VAL A 12 7.100 -0.230 1.151 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.311 -0.489 0.252 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.979 0.464 0.375 1.00 0.00 C ATOM 0 H VAL A 12 8.636 -2.020 1.927 1.00 0.00 H new ATOM 0 HA VAL A 12 5.936 -1.243 2.601 1.00 0.00 H new ATOM 0 HB VAL A 12 7.414 0.438 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.644 0.450 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.119 -0.918 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.034 -1.184 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.359 1.385 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.620 -0.197 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.159 0.699 1.053 1.00 0.00 H new ATOM 150 N GLU A 13 6.464 -3.426 0.308 1.00 0.00 N ATOM 151 CA GLU A 13 5.828 -4.339 -0.625 1.00 0.00 C ATOM 152 C GLU A 13 4.578 -4.956 0.005 1.00 0.00 C ATOM 153 O GLU A 13 3.557 -5.119 -0.662 1.00 0.00 O ATOM 154 CB GLU A 13 6.804 -5.424 -1.085 1.00 0.00 C ATOM 155 CG GLU A 13 7.700 -4.913 -2.215 1.00 0.00 C ATOM 156 CD GLU A 13 7.229 -5.444 -3.571 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.995 -5.520 -3.753 1.00 0.00 O ATOM 158 OE2 GLU A 13 8.114 -5.762 -4.394 1.00 0.00 O ATOM 0 H GLU A 13 7.437 -3.644 0.521 1.00 0.00 H new ATOM 0 HA GLU A 13 5.526 -3.773 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.420 -5.744 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.248 -6.298 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.693 -3.823 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.729 -5.224 -2.036 1.00 0.00 H new ATOM 163 N GLU A 14 4.700 -5.284 1.283 1.00 0.00 N ATOM 164 CA GLU A 14 3.593 -5.882 2.011 1.00 0.00 C ATOM 165 C GLU A 14 2.653 -4.792 2.533 1.00 0.00 C ATOM 166 O GLU A 14 1.435 -4.964 2.527 1.00 0.00 O ATOM 167 CB GLU A 14 4.100 -6.762 3.154 1.00 0.00 C ATOM 168 CG GLU A 14 4.328 -5.937 4.422 1.00 0.00 C ATOM 169 CD GLU A 14 5.096 -6.744 5.471 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.185 -7.243 5.116 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.577 -6.843 6.604 1.00 0.00 O ATOM 0 H GLU A 14 5.548 -5.147 1.833 1.00 0.00 H new ATOM 0 HA GLU A 14 3.035 -6.520 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.378 -7.554 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.031 -7.247 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.883 -5.032 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.369 -5.621 4.832 1.00 0.00 H new ATOM 176 N VAL A 15 3.254 -3.696 2.972 1.00 0.00 N ATOM 177 CA VAL A 15 2.486 -2.580 3.496 1.00 0.00 C ATOM 178 C VAL A 15 1.341 -2.258 2.534 1.00 0.00 C ATOM 179 O VAL A 15 0.271 -1.827 2.960 1.00 0.00 O ATOM 180 CB VAL A 15 3.407 -1.384 3.751 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.596 -0.113 4.008 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.365 -1.668 4.910 1.00 0.00 C ATOM 0 H VAL A 15 4.265 -3.557 2.975 1.00 0.00 H new ATOM 0 HA VAL A 15 2.041 -2.841 4.456 1.00 0.00 H new ATOM 0 HB VAL A 15 4.005 -1.223 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.274 0.722 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.974 0.104 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.961 -0.257 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.008 -0.803 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.792 -1.867 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.978 -2.537 4.671 1.00 0.00 H new ATOM 192 N PHE A 16 1.606 -2.480 1.255 1.00 0.00 N ATOM 193 CA PHE A 16 0.610 -2.218 0.229 1.00 0.00 C ATOM 194 C PHE A 16 -0.293 -3.436 0.018 1.00 0.00 C ATOM 195 O PHE A 16 -1.410 -3.305 -0.480 1.00 0.00 O ATOM 196 CB PHE A 16 1.369 -1.930 -1.068 1.00 0.00 C ATOM 197 CG PHE A 16 1.998 -0.536 -1.125 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.346 0.526 -0.581 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.206 -0.360 -1.721 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.928 1.820 -0.634 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.790 0.934 -1.774 1.00 0.00 C ATOM 202 CZ PHE A 16 3.138 1.996 -1.230 1.00 0.00 C ATOM 0 H PHE A 16 2.495 -2.838 0.906 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.020 -1.379 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.154 -2.677 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.686 -2.044 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.385 0.385 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.722 -1.204 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.411 2.664 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.751 1.074 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.581 2.980 -1.271 1.00 0.00 H new ATOM 211 N ASP A 17 0.225 -4.590 0.408 1.00 0.00 N ATOM 212 CA ASP A 17 -0.521 -5.830 0.268 1.00 0.00 C ATOM 213 C ASP A 17 -1.348 -6.068 1.532 1.00 0.00 C ATOM 214 O ASP A 17 -2.208 -6.946 1.560 1.00 0.00 O ATOM 215 CB ASP A 17 0.422 -7.022 0.089 1.00 0.00 C ATOM 216 CG ASP A 17 0.999 -7.592 1.386 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.545 -7.134 2.458 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.881 -8.470 1.277 1.00 0.00 O ATOM 0 H ASP A 17 1.152 -4.694 0.821 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.162 -5.741 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.115 -7.815 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.247 -6.719 -0.556 1.00 0.00 H new ATOM 222 N VAL A 18 -1.058 -5.270 2.550 1.00 0.00 N ATOM 223 CA VAL A 18 -1.766 -5.382 3.814 1.00 0.00 C ATOM 224 C VAL A 18 -2.936 -4.398 3.829 1.00 0.00 C ATOM 225 O VAL A 18 -4.092 -4.800 3.706 1.00 0.00 O ATOM 226 CB VAL A 18 -0.793 -5.173 4.977 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.548 -4.893 6.278 1.00 0.00 C ATOM 228 CG2 VAL A 18 0.141 -6.374 5.134 1.00 0.00 C ATOM 0 H VAL A 18 -0.342 -4.544 2.525 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.183 -6.382 3.931 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.181 -4.301 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.834 -4.748 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.152 -3.993 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.196 -5.738 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.822 -6.199 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.448 -7.270 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.716 -6.510 4.218 1.00 0.00 H new ATOM 238 N LEU A 19 -2.596 -3.125 3.979 1.00 0.00 N ATOM 239 CA LEU A 19 -3.605 -2.080 4.011 1.00 0.00 C ATOM 240 C LEU A 19 -4.688 -2.391 2.976 1.00 0.00 C ATOM 241 O LEU A 19 -5.868 -2.136 3.212 1.00 0.00 O ATOM 242 CB LEU A 19 -2.957 -0.706 3.831 1.00 0.00 C ATOM 243 CG LEU A 19 -1.804 -0.377 4.780 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.329 1.064 4.588 1.00 0.00 C ATOM 245 CD2 LEU A 19 -2.191 -0.665 6.232 1.00 0.00 C ATOM 0 H LEU A 19 -1.636 -2.795 4.080 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.094 -2.051 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.591 -0.631 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.728 0.055 3.951 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.964 -1.027 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.509 1.271 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.986 1.201 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.153 1.749 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.354 -0.423 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.054 -0.058 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.442 -1.720 6.339 1.00 0.00 H new ATOM 256 N TYR A 20 -4.248 -2.936 1.851 1.00 0.00 N ATOM 257 CA TYR A 20 -5.165 -3.284 0.779 1.00 0.00 C ATOM 258 C TYR A 20 -6.125 -4.393 1.217 1.00 0.00 C ATOM 259 O TYR A 20 -7.332 -4.175 1.306 1.00 0.00 O ATOM 260 CB TYR A 20 -4.296 -3.802 -0.368 1.00 0.00 C ATOM 261 CG TYR A 20 -5.084 -4.187 -1.621 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.116 -3.384 -2.062 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.765 -5.340 -2.310 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.859 -3.747 -3.241 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.507 -5.702 -3.489 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.517 -4.889 -3.897 1.00 0.00 C ATOM 267 OH TYR A 20 -7.218 -5.231 -5.011 1.00 0.00 O ATOM 0 H TYR A 20 -3.268 -3.145 1.659 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.765 -2.420 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.566 -3.037 -0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.736 -4.671 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.367 -2.483 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.959 -5.970 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.669 -3.127 -3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.266 -6.600 -4.038 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.864 -6.069 -5.376 1.00 0.00 H new ATOM 276 N SER A 21 -5.551 -5.558 1.479 1.00 0.00 N ATOM 277 CA SER A 21 -6.340 -6.701 1.905 1.00 0.00 C ATOM 278 C SER A 21 -7.248 -6.305 3.071 1.00 0.00 C ATOM 279 O SER A 21 -8.336 -6.857 3.231 1.00 0.00 O ATOM 280 CB SER A 21 -5.442 -7.873 2.306 1.00 0.00 C ATOM 281 OG SER A 21 -6.197 -9.009 2.716 1.00 0.00 O ATOM 0 H SER A 21 -4.549 -5.735 1.404 1.00 0.00 H new ATOM 0 HA SER A 21 -6.956 -7.022 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.805 -8.146 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.783 -7.564 3.117 1.00 0.00 H new ATOM 0 HG SER A 21 -5.730 -9.827 2.445 1.00 0.00 H new ATOM 286 N GLU A 22 -6.769 -5.352 3.855 1.00 0.00 N ATOM 287 CA GLU A 22 -7.523 -4.875 5.002 1.00 0.00 C ATOM 288 C GLU A 22 -8.772 -4.121 4.539 1.00 0.00 C ATOM 289 O GLU A 22 -9.881 -4.422 4.980 1.00 0.00 O ATOM 290 CB GLU A 22 -6.655 -3.995 5.902 1.00 0.00 C ATOM 291 CG GLU A 22 -5.601 -4.830 6.633 1.00 0.00 C ATOM 292 CD GLU A 22 -5.914 -4.921 8.128 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.691 -3.902 8.818 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.367 -6.008 8.548 1.00 0.00 O ATOM 0 H GLU A 22 -5.867 -4.896 3.719 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.838 -5.738 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.165 -3.228 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.284 -3.479 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.563 -5.831 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.616 -4.385 6.490 1.00 0.00 H new ATOM 299 N ALA A 23 -8.550 -3.158 3.658 1.00 0.00 N ATOM 300 CA ALA A 23 -9.644 -2.359 3.131 1.00 0.00 C ATOM 301 C ALA A 23 -10.585 -3.259 2.326 1.00 0.00 C ATOM 302 O ALA A 23 -11.786 -3.003 2.257 1.00 0.00 O ATOM 303 CB ALA A 23 -9.080 -1.209 2.295 1.00 0.00 C ATOM 0 H ALA A 23 -7.629 -2.912 3.295 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.223 -1.918 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.900 -0.610 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.442 -0.584 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.495 -1.613 1.469 1.00 0.00 H new ATOM 309 N LEU A 24 -10.003 -4.293 1.737 1.00 0.00 N ATOM 310 CA LEU A 24 -10.773 -5.231 0.940 1.00 0.00 C ATOM 311 C LEU A 24 -11.566 -6.154 1.870 1.00 0.00 C ATOM 312 O LEU A 24 -12.597 -6.698 1.478 1.00 0.00 O ATOM 313 CB LEU A 24 -9.863 -5.979 -0.036 1.00 0.00 C ATOM 314 CG LEU A 24 -9.959 -5.553 -1.503 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.945 -6.310 -2.361 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.387 -5.712 -2.028 1.00 0.00 C ATOM 0 H LEU A 24 -9.006 -4.502 1.796 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.497 -4.700 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.831 -5.853 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.091 -7.043 0.028 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.709 -4.494 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.034 -5.988 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.937 -6.102 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.140 -7.380 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.427 -5.402 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.690 -6.756 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.062 -5.091 -1.439 1.00 0.00 H new ATOM 327 N GLY A 25 -11.054 -6.300 3.084 1.00 0.00 N ATOM 328 CA GLY A 25 -11.702 -7.146 4.072 1.00 0.00 C ATOM 329 C GLY A 25 -11.610 -8.620 3.674 1.00 0.00 C ATOM 330 O GLY A 25 -12.614 -9.333 3.686 1.00 0.00 O ATOM 0 H GLY A 25 -10.199 -5.847 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.235 -6.998 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.748 -6.857 4.174 1.00 0.00 H new ATOM 334 N ARG A 26 -10.400 -9.035 3.331 1.00 0.00 N ATOM 335 CA ARG A 26 -10.166 -10.412 2.931 1.00 0.00 C ATOM 336 C ARG A 26 -9.542 -11.200 4.084 1.00 0.00 C ATOM 337 O ARG A 26 -9.234 -10.635 5.132 1.00 0.00 O ATOM 338 CB ARG A 26 -9.239 -10.482 1.715 1.00 0.00 C ATOM 339 CG ARG A 26 -9.792 -9.647 0.557 1.00 0.00 C ATOM 340 CD ARG A 26 -10.084 -10.525 -0.662 1.00 0.00 C ATOM 341 NE ARG A 26 -11.380 -10.141 -1.262 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.573 -10.471 -0.750 1.00 0.00 C ATOM 343 NH1 ARG A 26 -12.642 -11.193 0.377 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.698 -10.078 -1.363 1.00 0.00 N ATOM 0 H ARG A 26 -9.570 -8.442 3.322 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.129 -10.849 2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.247 -10.121 1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.125 -11.519 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.705 -9.141 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.075 -8.872 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.287 -10.417 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.107 -11.574 -0.368 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.364 -9.590 -2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.786 -11.491 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.550 -11.444 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.646 -9.527 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.606 -10.330 -0.973 1.00 0.00 H new ATOM 355 N ALA A 27 -9.374 -12.494 3.852 1.00 0.00 N ATOM 356 CA ALA A 27 -8.792 -13.366 4.858 1.00 0.00 C ATOM 357 C ALA A 27 -7.273 -13.404 4.677 1.00 0.00 C ATOM 358 O ALA A 27 -6.526 -13.187 5.630 1.00 0.00 O ATOM 359 CB ALA A 27 -9.426 -14.755 4.758 1.00 0.00 C ATOM 0 H ALA A 27 -9.631 -12.959 2.982 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.995 -12.986 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.990 -15.409 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.501 -14.677 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.240 -15.169 3.767 1.00 0.00 H new ATOM 365 N SER A 28 -6.862 -13.681 3.449 1.00 0.00 N ATOM 366 CA SER A 28 -5.446 -13.750 3.132 1.00 0.00 C ATOM 367 C SER A 28 -4.965 -12.404 2.587 1.00 0.00 C ATOM 368 O SER A 28 -5.766 -11.495 2.373 1.00 0.00 O ATOM 369 CB SER A 28 -5.161 -14.863 2.121 1.00 0.00 C ATOM 370 OG SER A 28 -5.843 -16.071 2.452 1.00 0.00 O ATOM 0 H SER A 28 -7.485 -13.860 2.661 1.00 0.00 H new ATOM 0 HA SER A 28 -4.902 -13.980 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.464 -14.536 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.088 -15.051 2.081 1.00 0.00 H new ATOM 0 HG SER A 28 -5.637 -16.757 1.783 1.00 0.00 H new ATOM 375 N VAL A 29 -3.660 -12.318 2.378 1.00 0.00 N ATOM 376 CA VAL A 29 -3.063 -11.098 1.863 1.00 0.00 C ATOM 377 C VAL A 29 -2.937 -11.199 0.341 1.00 0.00 C ATOM 378 O VAL A 29 -2.332 -12.138 -0.173 1.00 0.00 O ATOM 379 CB VAL A 29 -1.725 -10.834 2.557 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.845 -9.905 1.717 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.938 -10.268 3.962 1.00 0.00 C ATOM 0 H VAL A 29 -2.999 -13.074 2.556 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.701 -10.241 2.081 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.205 -11.787 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.100 -9.734 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.651 -10.365 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.356 -8.953 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.971 -10.090 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.489 -9.330 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.506 -10.981 4.559 1.00 0.00 H new ATOM 391 N VAL A 30 -3.520 -10.220 -0.335 1.00 0.00 N ATOM 392 CA VAL A 30 -3.480 -10.188 -1.788 1.00 0.00 C ATOM 393 C VAL A 30 -2.526 -9.082 -2.244 1.00 0.00 C ATOM 394 O VAL A 30 -2.272 -8.133 -1.504 1.00 0.00 O ATOM 395 CB VAL A 30 -4.895 -10.025 -2.346 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.592 -11.381 -2.479 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.719 -9.068 -1.482 1.00 0.00 C ATOM 0 H VAL A 30 -4.022 -9.444 0.096 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.096 -11.130 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.813 -9.591 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.596 -11.236 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.022 -12.019 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.655 -11.855 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.720 -8.970 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.787 -9.461 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.237 -8.090 -1.461 1.00 0.00 H new ATOM 407 N PRO A 31 -2.010 -9.247 -3.492 1.00 0.00 N ATOM 408 CA PRO A 31 -1.091 -8.273 -4.055 1.00 0.00 C ATOM 409 C PRO A 31 -1.830 -7.006 -4.489 1.00 0.00 C ATOM 410 O PRO A 31 -3.057 -7.002 -4.587 1.00 0.00 O ATOM 411 CB PRO A 31 -0.416 -8.993 -5.211 1.00 0.00 C ATOM 412 CG PRO A 31 -1.310 -10.176 -5.544 1.00 0.00 C ATOM 413 CD PRO A 31 -2.289 -10.358 -4.396 1.00 0.00 C ATOM 0 HA PRO A 31 -0.352 -7.926 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.305 -8.333 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.584 -9.325 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.845 -10.000 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.714 -11.078 -5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.320 -10.333 -4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.144 -11.318 -3.900 1.00 0.00 H new ATOM 418 N LEU A 32 -1.053 -5.962 -4.739 1.00 0.00 N ATOM 419 CA LEU A 32 -1.620 -4.692 -5.160 1.00 0.00 C ATOM 420 C LEU A 32 -1.270 -4.445 -6.629 1.00 0.00 C ATOM 421 O LEU A 32 -0.155 -4.032 -6.944 1.00 0.00 O ATOM 422 CB LEU A 32 -1.172 -3.568 -4.223 1.00 0.00 C ATOM 423 CG LEU A 32 -1.427 -2.142 -4.716 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.798 -2.031 -5.386 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.261 -1.132 -3.580 1.00 0.00 C ATOM 0 H LEU A 32 -0.036 -5.970 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.707 -4.718 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.678 -3.696 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.104 -3.681 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.679 -1.902 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.954 -1.008 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.842 -2.709 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.575 -2.297 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.448 -0.126 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.971 -1.359 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.246 -1.190 -3.187 1.00 0.00 H new ATOM 436 N PRO A 33 -2.269 -4.714 -7.511 1.00 0.00 N ATOM 437 CA PRO A 33 -2.077 -4.525 -8.940 1.00 0.00 C ATOM 438 C PRO A 33 -2.109 -3.041 -9.305 1.00 0.00 C ATOM 439 O PRO A 33 -3.124 -2.536 -9.783 1.00 0.00 O ATOM 440 CB PRO A 33 -3.194 -5.323 -9.594 1.00 0.00 C ATOM 441 CG PRO A 33 -4.238 -5.545 -8.512 1.00 0.00 C ATOM 442 CD PRO A 33 -3.602 -5.205 -7.174 1.00 0.00 C ATOM 0 HA PRO A 33 -1.103 -4.872 -9.284 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.617 -4.781 -10.440 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.822 -6.273 -9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.111 -4.918 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.582 -6.579 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.180 -4.449 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.550 -6.080 -6.527 1.00 0.00 H new ATOM 447 N TYR A 34 -0.984 -2.381 -9.067 1.00 0.00 N ATOM 448 CA TYR A 34 -0.870 -0.964 -9.365 1.00 0.00 C ATOM 449 C TYR A 34 -1.250 -0.677 -10.819 1.00 0.00 C ATOM 450 O TYR A 34 -2.092 0.178 -11.088 1.00 0.00 O ATOM 451 CB TYR A 34 0.603 -0.607 -9.155 1.00 0.00 C ATOM 452 CG TYR A 34 1.120 -0.901 -7.745 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.879 -0.007 -6.721 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.826 -2.060 -7.498 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.367 -0.285 -5.394 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.313 -2.337 -6.171 1.00 0.00 C ATOM 457 CZ TYR A 34 2.060 -1.436 -5.185 1.00 0.00 C ATOM 458 OH TYR A 34 2.519 -1.699 -3.933 1.00 0.00 O ATOM 0 H TYR A 34 -0.144 -2.802 -8.671 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.536 -0.383 -8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.206 -1.160 -9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.743 0.453 -9.369 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.325 0.900 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.014 -2.759 -8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.186 0.406 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.867 -3.241 -5.964 1.00 0.00 H new ATOM 0 HH TYR A 34 2.483 -0.882 -3.393 1.00 0.00 H new ATOM 467 N GLU A 35 -0.610 -1.409 -11.719 1.00 0.00 N ATOM 468 CA GLU A 35 -0.870 -1.245 -13.139 1.00 0.00 C ATOM 469 C GLU A 35 -2.368 -1.047 -13.386 1.00 0.00 C ATOM 470 O GLU A 35 -2.760 -0.353 -14.322 1.00 0.00 O ATOM 471 CB GLU A 35 -0.336 -2.436 -13.936 1.00 0.00 C ATOM 472 CG GLU A 35 -1.104 -3.714 -13.594 1.00 0.00 C ATOM 473 CD GLU A 35 -0.500 -4.925 -14.308 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.599 -4.956 -15.553 1.00 0.00 O ATOM 475 OE2 GLU A 35 0.046 -5.792 -13.592 1.00 0.00 O ATOM 0 H GLU A 35 0.088 -2.117 -11.492 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.344 -0.355 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.421 -2.231 -15.003 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.723 -2.576 -13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.085 -3.876 -12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.149 -3.602 -13.881 1.00 0.00 H new ATOM 480 N ARG A 36 -3.162 -1.670 -12.528 1.00 0.00 N ATOM 481 CA ARG A 36 -4.607 -1.571 -12.640 1.00 0.00 C ATOM 482 C ARG A 36 -5.129 -0.412 -11.788 1.00 0.00 C ATOM 483 O ARG A 36 -5.613 0.585 -12.321 1.00 0.00 O ATOM 484 CB ARG A 36 -5.285 -2.869 -12.192 1.00 0.00 C ATOM 485 CG ARG A 36 -5.134 -3.961 -13.254 1.00 0.00 C ATOM 486 CD ARG A 36 -6.478 -4.267 -13.919 1.00 0.00 C ATOM 487 NE ARG A 36 -6.562 -3.583 -15.228 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.496 -3.842 -16.152 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.432 -4.772 -15.917 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.496 -3.171 -17.313 1.00 0.00 N ATOM 0 H ARG A 36 -2.832 -2.245 -11.753 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.846 -1.392 -13.688 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.847 -3.207 -11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.342 -2.685 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.415 -3.643 -14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.736 -4.867 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.590 -5.343 -14.054 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.294 -3.940 -13.275 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.865 -2.869 -15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.433 -5.283 -15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.143 -4.969 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.784 -2.463 -17.493 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.208 -3.369 -18.016 1.00 0.00 H new ATOM 501 N LEU A 37 -5.012 -0.583 -10.479 1.00 0.00 N ATOM 502 CA LEU A 37 -5.465 0.438 -9.549 1.00 0.00 C ATOM 503 C LEU A 37 -5.042 1.816 -10.063 1.00 0.00 C ATOM 504 O LEU A 37 -5.786 2.785 -9.932 1.00 0.00 O ATOM 505 CB LEU A 37 -4.969 0.131 -8.134 1.00 0.00 C ATOM 506 CG LEU A 37 -5.262 -1.277 -7.612 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.404 -1.278 -6.088 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.491 -1.874 -8.301 1.00 0.00 C ATOM 0 H LEU A 37 -4.611 -1.412 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.553 0.441 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.891 0.291 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.416 0.851 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.413 -1.915 -7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.612 -2.291 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.478 -0.924 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.224 -0.620 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.676 -2.875 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.359 -1.243 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.315 -1.930 -9.375 1.00 0.00 H new ATOM 519 N LEU A 38 -3.849 1.857 -10.638 1.00 0.00 N ATOM 520 CA LEU A 38 -3.318 3.099 -11.172 1.00 0.00 C ATOM 521 C LEU A 38 -4.239 3.605 -12.285 1.00 0.00 C ATOM 522 O LEU A 38 -4.598 4.781 -12.311 1.00 0.00 O ATOM 523 CB LEU A 38 -1.865 2.916 -11.613 1.00 0.00 C ATOM 524 CG LEU A 38 -0.860 2.610 -10.500 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.460 2.098 -11.078 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.656 3.828 -9.596 1.00 0.00 C ATOM 0 H LEU A 38 -3.235 1.050 -10.746 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.297 3.867 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.827 2.107 -12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.545 3.823 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.270 1.813 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.156 1.888 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.279 1.185 -11.645 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.887 2.855 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.063 3.584 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.279 4.662 -10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.607 4.107 -9.141 1.00 0.00 H new ATOM 537 N ARG A 39 -4.594 2.691 -13.176 1.00 0.00 N ATOM 538 CA ARG A 39 -5.466 3.030 -14.288 1.00 0.00 C ATOM 539 C ARG A 39 -6.763 3.657 -13.774 1.00 0.00 C ATOM 540 O ARG A 39 -7.215 4.675 -14.296 1.00 0.00 O ATOM 541 CB ARG A 39 -5.801 1.792 -15.121 1.00 0.00 C ATOM 542 CG ARG A 39 -6.778 2.137 -16.248 1.00 0.00 C ATOM 543 CD ARG A 39 -8.142 1.487 -16.009 1.00 0.00 C ATOM 544 NE ARG A 39 -8.922 1.470 -17.266 1.00 0.00 N ATOM 545 CZ ARG A 39 -8.644 0.681 -18.313 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.603 -0.161 -18.259 1.00 0.00 N ATOM 547 NH2 ARG A 39 -9.407 0.733 -19.413 1.00 0.00 N ATOM 0 H ARG A 39 -4.294 1.716 -13.151 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.938 3.746 -14.918 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.887 1.375 -15.543 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.236 1.025 -14.480 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.893 3.219 -16.316 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.372 1.800 -17.202 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.010 0.470 -15.640 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.686 2.037 -15.241 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.722 2.099 -17.340 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.023 -0.201 -17.421 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.391 -0.762 -19.056 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.200 1.373 -19.454 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.195 0.132 -20.210 1.00 0.00 H new ATOM 558 N GLU A 40 -7.326 3.022 -12.756 1.00 0.00 N ATOM 559 CA GLU A 40 -8.563 3.505 -12.165 1.00 0.00 C ATOM 560 C GLU A 40 -8.334 3.903 -10.705 1.00 0.00 C ATOM 561 O GLU A 40 -8.210 3.043 -9.835 1.00 0.00 O ATOM 562 CB GLU A 40 -9.671 2.456 -12.279 1.00 0.00 C ATOM 563 CG GLU A 40 -9.084 1.047 -12.379 1.00 0.00 C ATOM 564 CD GLU A 40 -10.188 0.005 -12.573 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.230 0.384 -13.149 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.964 -1.146 -12.139 1.00 0.00 O ATOM 0 H GLU A 40 -6.949 2.178 -12.326 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.885 4.388 -12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.327 2.520 -11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.283 2.662 -13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.384 0.999 -13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.519 0.820 -11.475 1.00 0.00 H new ATOM 571 N PRO A 41 -8.283 5.243 -10.477 1.00 0.00 N ATOM 572 CA PRO A 41 -8.071 5.767 -9.138 1.00 0.00 C ATOM 573 C PRO A 41 -9.339 5.635 -8.291 1.00 0.00 C ATOM 574 O PRO A 41 -9.264 5.535 -7.067 1.00 0.00 O ATOM 575 CB PRO A 41 -7.642 7.210 -9.344 1.00 0.00 C ATOM 576 CG PRO A 41 -8.076 7.578 -10.753 1.00 0.00 C ATOM 577 CD PRO A 41 -8.427 6.292 -11.484 1.00 0.00 C ATOM 0 HA PRO A 41 -7.311 5.215 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.109 7.865 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.564 7.317 -9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.935 8.248 -10.725 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.277 8.107 -11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.442 6.325 -11.879 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.761 6.123 -12.330 1.00 0.00 H new ATOM 582 N GLY A 42 -10.473 5.638 -8.975 1.00 0.00 N ATOM 583 CA GLY A 42 -11.755 5.520 -8.301 1.00 0.00 C ATOM 584 C GLY A 42 -11.933 4.124 -7.703 1.00 0.00 C ATOM 585 O GLY A 42 -12.605 3.961 -6.686 1.00 0.00 O ATOM 0 H GLY A 42 -10.531 5.720 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.826 6.269 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.561 5.723 -9.006 1.00 0.00 H new ATOM 589 N LEU A 43 -11.321 3.150 -8.362 1.00 0.00 N ATOM 590 CA LEU A 43 -11.404 1.772 -7.909 1.00 0.00 C ATOM 591 C LEU A 43 -10.787 1.662 -6.513 1.00 0.00 C ATOM 592 O LEU A 43 -11.330 0.981 -5.643 1.00 0.00 O ATOM 593 CB LEU A 43 -10.772 0.832 -8.937 1.00 0.00 C ATOM 594 CG LEU A 43 -11.167 -0.643 -8.829 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.544 -0.888 -9.450 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.094 -1.544 -9.440 1.00 0.00 C ATOM 0 H LEU A 43 -10.766 3.288 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.445 1.460 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.035 1.186 -9.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.688 0.905 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.240 -0.901 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.801 -1.943 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.290 -0.287 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.523 -0.608 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.400 -2.586 -9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.965 -1.293 -10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.151 -1.396 -8.913 1.00 0.00 H new ATOM 607 N LEU A 44 -9.662 2.340 -6.342 1.00 0.00 N ATOM 608 CA LEU A 44 -8.966 2.325 -5.067 1.00 0.00 C ATOM 609 C LEU A 44 -7.966 3.482 -5.024 1.00 0.00 C ATOM 610 O LEU A 44 -6.961 3.466 -5.734 1.00 0.00 O ATOM 611 CB LEU A 44 -8.332 0.955 -4.818 1.00 0.00 C ATOM 612 CG LEU A 44 -7.248 0.904 -3.740 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.707 1.616 -2.466 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.815 -0.537 -3.465 1.00 0.00 C ATOM 0 H LEU A 44 -9.215 2.903 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.668 2.479 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.122 0.255 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.902 0.600 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.373 1.438 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.918 1.565 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.926 2.660 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.605 1.131 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.044 -0.544 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.673 -1.116 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.419 -0.979 -4.379 1.00 0.00 H new ATOM 625 N ALA A 45 -8.275 4.459 -4.183 1.00 0.00 N ATOM 626 CA ALA A 45 -7.416 5.621 -4.039 1.00 0.00 C ATOM 627 C ALA A 45 -6.541 5.452 -2.795 1.00 0.00 C ATOM 628 O ALA A 45 -7.019 5.014 -1.750 1.00 0.00 O ATOM 629 CB ALA A 45 -8.275 6.887 -3.978 1.00 0.00 C ATOM 0 H ALA A 45 -9.108 4.469 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.753 5.717 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.630 7.759 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.856 6.977 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.951 6.827 -3.125 1.00 0.00 H new ATOM 635 N VAL A 46 -5.274 5.808 -2.950 1.00 0.00 N ATOM 636 CA VAL A 46 -4.327 5.699 -1.853 1.00 0.00 C ATOM 637 C VAL A 46 -4.163 7.068 -1.191 1.00 0.00 C ATOM 638 O VAL A 46 -3.697 8.015 -1.822 1.00 0.00 O ATOM 639 CB VAL A 46 -3.006 5.116 -2.357 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.015 4.926 -1.207 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.236 3.802 -3.105 1.00 0.00 C ATOM 0 H VAL A 46 -4.881 6.172 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.700 5.012 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.572 5.829 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.084 4.510 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.815 5.889 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.439 4.244 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.281 3.409 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.704 3.080 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.888 3.980 -3.960 1.00 0.00 H new ATOM 651 N GLN A 47 -4.554 7.130 0.074 1.00 0.00 N ATOM 652 CA GLN A 47 -4.457 8.367 0.829 1.00 0.00 C ATOM 653 C GLN A 47 -3.495 8.196 2.007 1.00 0.00 C ATOM 654 O GLN A 47 -3.139 7.074 2.364 1.00 0.00 O ATOM 655 CB GLN A 47 -5.834 8.828 1.308 1.00 0.00 C ATOM 656 CG GLN A 47 -6.758 9.121 0.124 1.00 0.00 C ATOM 657 CD GLN A 47 -6.476 10.507 -0.460 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.633 11.250 0.015 1.00 0.00 O ATOM 659 NE2 GLN A 47 -7.227 10.812 -1.515 1.00 0.00 N ATOM 0 H GLN A 47 -4.939 6.342 0.595 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.061 9.141 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.279 8.059 1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.729 9.723 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.620 8.363 -0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.798 9.062 0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.915 10.143 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.115 11.714 -1.977 1.00 0.00 H new ATOM 666 N GLY A 48 -3.101 9.324 2.577 1.00 0.00 N ATOM 667 CA GLY A 48 -2.188 9.314 3.707 1.00 0.00 C ATOM 668 C GLY A 48 -0.792 8.856 3.280 1.00 0.00 C ATOM 669 O GLY A 48 -0.062 8.259 4.069 1.00 0.00 O ATOM 0 H GLY A 48 -3.398 10.253 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.130 10.312 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.571 8.651 4.483 1.00 0.00 H new ATOM 673 N LEU A 49 -0.464 9.155 2.031 1.00 0.00 N ATOM 674 CA LEU A 49 0.832 8.782 1.489 1.00 0.00 C ATOM 675 C LEU A 49 1.901 9.729 2.036 1.00 0.00 C ATOM 676 O LEU A 49 1.580 10.780 2.590 1.00 0.00 O ATOM 677 CB LEU A 49 0.779 8.732 -0.039 1.00 0.00 C ATOM 678 CG LEU A 49 0.395 7.383 -0.653 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.215 7.569 -2.044 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.591 6.430 -0.674 1.00 0.00 C ATOM 0 H LEU A 49 -1.073 9.651 1.380 1.00 0.00 H new ATOM 0 HA LEU A 49 1.103 7.776 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.066 9.481 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.756 9.020 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.369 6.926 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.479 6.596 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.110 8.187 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.509 8.057 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.291 5.479 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.394 6.867 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.941 6.263 0.345 1.00 0.00 H new ATOM 691 N PRO A 50 3.184 9.313 1.858 1.00 0.00 N ATOM 692 CA PRO A 50 4.302 10.114 2.328 1.00 0.00 C ATOM 693 C PRO A 50 4.531 11.323 1.418 1.00 0.00 C ATOM 694 O PRO A 50 5.112 11.193 0.341 1.00 0.00 O ATOM 695 CB PRO A 50 5.484 9.159 2.355 1.00 0.00 C ATOM 696 CG PRO A 50 5.097 7.990 1.465 1.00 0.00 C ATOM 697 CD PRO A 50 3.602 8.075 1.207 1.00 0.00 C ATOM 0 HA PRO A 50 4.129 10.541 3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.388 9.646 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.692 8.824 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.649 8.026 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.348 7.045 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.385 8.096 0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.079 7.213 1.622 1.00 0.00 H new ATOM 702 N GLU A 51 4.063 12.471 1.886 1.00 0.00 N ATOM 703 CA GLU A 51 4.210 13.702 1.128 1.00 0.00 C ATOM 704 C GLU A 51 5.503 13.672 0.311 1.00 0.00 C ATOM 705 O GLU A 51 6.500 13.094 0.740 1.00 0.00 O ATOM 706 CB GLU A 51 4.174 14.921 2.052 1.00 0.00 C ATOM 707 CG GLU A 51 5.454 15.015 2.886 1.00 0.00 C ATOM 708 CD GLU A 51 5.561 16.378 3.573 1.00 0.00 C ATOM 709 OE1 GLU A 51 5.139 17.369 2.938 1.00 0.00 O ATOM 710 OE2 GLU A 51 6.064 16.398 4.717 1.00 0.00 O ATOM 0 H GLU A 51 3.582 12.575 2.780 1.00 0.00 H new ATOM 0 HA GLU A 51 3.370 13.784 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.055 15.828 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.309 14.856 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.463 14.224 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.322 14.857 2.246 1.00 0.00 H new ATOM 715 N GLY A 52 5.443 14.299 -0.855 1.00 0.00 N ATOM 716 CA GLY A 52 6.596 14.352 -1.737 1.00 0.00 C ATOM 717 C GLY A 52 6.847 12.993 -2.393 1.00 0.00 C ATOM 718 O GLY A 52 7.990 12.548 -2.494 1.00 0.00 O ATOM 0 H GLY A 52 4.613 14.775 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.435 15.107 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.477 14.655 -1.172 1.00 0.00 H new ATOM 722 N LEU A 53 5.760 12.369 -2.822 1.00 0.00 N ATOM 723 CA LEU A 53 5.847 11.069 -3.466 1.00 0.00 C ATOM 724 C LEU A 53 4.634 10.873 -4.377 1.00 0.00 C ATOM 725 O LEU A 53 3.876 11.812 -4.618 1.00 0.00 O ATOM 726 CB LEU A 53 6.015 9.964 -2.420 1.00 0.00 C ATOM 727 CG LEU A 53 7.455 9.590 -2.066 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.499 8.681 -0.836 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.170 8.965 -3.266 1.00 0.00 C ATOM 0 H LEU A 53 4.814 12.740 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 53 6.733 11.016 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.506 10.275 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.506 9.070 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 53 7.992 10.504 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.534 8.430 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.053 9.197 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.941 7.767 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.192 8.708 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.641 8.064 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.187 9.677 -4.091 1.00 0.00 H new ATOM 740 N ALA A 54 4.488 9.649 -4.860 1.00 0.00 N ATOM 741 CA ALA A 54 3.380 9.317 -5.740 1.00 0.00 C ATOM 742 C ALA A 54 3.085 7.820 -5.642 1.00 0.00 C ATOM 743 O ALA A 54 4.005 7.002 -5.631 1.00 0.00 O ATOM 744 CB ALA A 54 3.713 9.754 -7.168 1.00 0.00 C ATOM 0 H ALA A 54 5.119 8.873 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 54 2.478 9.850 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.882 9.505 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.883 10.830 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.612 9.238 -7.506 1.00 0.00 H new ATOM 750 N PHE A 55 1.801 7.504 -5.572 1.00 0.00 N ATOM 751 CA PHE A 55 1.374 6.119 -5.475 1.00 0.00 C ATOM 752 C PHE A 55 1.870 5.307 -6.675 1.00 0.00 C ATOM 753 O PHE A 55 1.409 5.507 -7.798 1.00 0.00 O ATOM 754 CB PHE A 55 -0.156 6.121 -5.474 1.00 0.00 C ATOM 755 CG PHE A 55 -0.780 4.742 -5.701 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.351 3.674 -4.977 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.765 4.585 -6.626 1.00 0.00 C ATOM 758 CE1 PHE A 55 -0.930 2.395 -5.187 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.344 3.306 -6.835 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.915 2.238 -6.112 1.00 0.00 C ATOM 0 H PHE A 55 1.041 8.184 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 55 1.781 5.667 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.508 6.515 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.509 6.800 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.430 3.799 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.106 5.433 -7.201 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.589 1.547 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.126 3.181 -7.569 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.356 1.265 -6.272 1.00 0.00 H new ATOM 769 N ARG A 56 2.802 4.409 -6.395 1.00 0.00 N ATOM 770 CA ARG A 56 3.366 3.566 -7.436 1.00 0.00 C ATOM 771 C ARG A 56 4.108 2.381 -6.817 1.00 0.00 C ATOM 772 O ARG A 56 4.257 2.305 -5.598 1.00 0.00 O ATOM 773 CB ARG A 56 4.331 4.356 -8.322 1.00 0.00 C ATOM 774 CG ARG A 56 5.036 5.453 -7.522 1.00 0.00 C ATOM 775 CD ARG A 56 6.501 5.586 -7.948 1.00 0.00 C ATOM 776 NE ARG A 56 6.583 6.188 -9.296 1.00 0.00 N ATOM 777 CZ ARG A 56 6.554 7.506 -9.534 1.00 0.00 C ATOM 778 NH1 ARG A 56 6.443 8.368 -8.514 1.00 0.00 N ATOM 779 NH2 ARG A 56 6.635 7.962 -10.791 1.00 0.00 N ATOM 0 H ARG A 56 3.181 4.246 -5.462 1.00 0.00 H new ATOM 0 HA ARG A 56 2.542 3.202 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.071 3.681 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.785 4.801 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.523 6.403 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.982 5.224 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.042 6.204 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.979 4.606 -7.949 1.00 0.00 H new ATOM 0 HE ARG A 56 6.667 5.560 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.381 8.020 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.421 9.372 -8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.719 7.306 -11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.613 8.966 -10.972 1.00 0.00 H new ATOM 790 N ARG A 57 4.554 1.484 -7.683 1.00 0.00 N ATOM 791 CA ARG A 57 5.277 0.305 -7.236 1.00 0.00 C ATOM 792 C ARG A 57 6.382 0.701 -6.255 1.00 0.00 C ATOM 793 O ARG A 57 6.986 1.765 -6.391 1.00 0.00 O ATOM 794 CB ARG A 57 5.897 -0.442 -8.419 1.00 0.00 C ATOM 795 CG ARG A 57 4.993 -1.587 -8.879 1.00 0.00 C ATOM 796 CD ARG A 57 4.987 -2.726 -7.857 1.00 0.00 C ATOM 797 NE ARG A 57 4.240 -3.884 -8.395 1.00 0.00 N ATOM 798 CZ ARG A 57 4.667 -4.648 -9.410 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.837 -4.380 -10.004 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.923 -5.680 -9.831 1.00 0.00 N ATOM 0 H ARG A 57 4.429 1.550 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 57 4.564 -0.353 -6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.062 0.250 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.872 -0.836 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.978 -1.218 -9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.336 -1.961 -9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.010 -3.020 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.530 -2.389 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 57 3.344 -4.116 -7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.403 -3.594 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.162 -4.962 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.032 -5.884 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.248 -6.261 -10.603 1.00 0.00 H new ATOM 811 N PRO A 58 6.621 -0.198 -5.264 1.00 0.00 N ATOM 812 CA PRO A 58 7.642 0.046 -4.261 1.00 0.00 C ATOM 813 C PRO A 58 9.042 -0.169 -4.840 1.00 0.00 C ATOM 814 O PRO A 58 10.033 0.273 -4.261 1.00 0.00 O ATOM 815 CB PRO A 58 7.316 -0.909 -3.124 1.00 0.00 C ATOM 816 CG PRO A 58 6.409 -1.973 -3.723 1.00 0.00 C ATOM 817 CD PRO A 58 5.925 -1.468 -5.072 1.00 0.00 C ATOM 0 HA PRO A 58 7.645 1.077 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.223 -1.354 -2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.819 -0.388 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.948 -2.913 -3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.564 -2.169 -3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.163 -2.174 -5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.844 -1.332 -5.079 1.00 0.00 H new ATOM 822 N ALA A 59 9.079 -0.850 -5.977 1.00 0.00 N ATOM 823 CA ALA A 59 10.340 -1.130 -6.641 1.00 0.00 C ATOM 824 C ALA A 59 10.746 0.079 -7.486 1.00 0.00 C ATOM 825 O ALA A 59 11.907 0.212 -7.868 1.00 0.00 O ATOM 826 CB ALA A 59 10.207 -2.406 -7.474 1.00 0.00 C ATOM 0 H ALA A 59 8.255 -1.216 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 59 11.129 -1.300 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.154 -2.616 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.947 -3.240 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.425 -2.272 -8.222 1.00 0.00 H new ATOM 832 N GLU A 60 9.766 0.929 -7.753 1.00 0.00 N ATOM 833 CA GLU A 60 10.006 2.123 -8.547 1.00 0.00 C ATOM 834 C GLU A 60 10.341 3.307 -7.638 1.00 0.00 C ATOM 835 O GLU A 60 10.933 4.288 -8.083 1.00 0.00 O ATOM 836 CB GLU A 60 8.804 2.440 -9.439 1.00 0.00 C ATOM 837 CG GLU A 60 8.523 1.290 -10.408 1.00 0.00 C ATOM 838 CD GLU A 60 7.853 1.801 -11.685 1.00 0.00 C ATOM 839 OE1 GLU A 60 8.319 2.846 -12.191 1.00 0.00 O ATOM 840 OE2 GLU A 60 6.891 1.136 -12.127 1.00 0.00 O ATOM 0 H GLU A 60 8.804 0.815 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 60 10.860 1.936 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.925 2.622 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.994 3.355 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.456 0.785 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.881 0.552 -9.926 1.00 0.00 H new ATOM 845 N TYR A 61 9.948 3.174 -6.379 1.00 0.00 N ATOM 846 CA TYR A 61 10.199 4.222 -5.403 1.00 0.00 C ATOM 847 C TYR A 61 11.696 4.356 -5.117 1.00 0.00 C ATOM 848 O TYR A 61 12.483 3.483 -5.479 1.00 0.00 O ATOM 849 CB TYR A 61 9.485 3.783 -4.122 1.00 0.00 C ATOM 850 CG TYR A 61 8.103 4.411 -3.935 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.875 5.713 -4.335 1.00 0.00 C ATOM 852 CD2 TYR A 61 7.082 3.676 -3.366 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.574 6.303 -4.159 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.781 4.267 -3.190 1.00 0.00 C ATOM 855 CZ TYR A 61 5.591 5.551 -3.595 1.00 0.00 C ATOM 856 OH TYR A 61 4.362 6.110 -3.429 1.00 0.00 O ATOM 0 H TYR A 61 9.458 2.358 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 61 9.844 5.184 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.382 2.698 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.108 4.038 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.673 6.289 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.259 2.658 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.383 7.320 -4.468 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.974 3.703 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 61 3.853 6.034 -4.263 1.00 0.00 H new ATOM 865 N ASP A 62 12.045 5.459 -4.469 1.00 0.00 N ATOM 866 CA ASP A 62 13.434 5.720 -4.130 1.00 0.00 C ATOM 867 C ASP A 62 13.784 4.986 -2.834 1.00 0.00 C ATOM 868 O ASP A 62 12.949 4.283 -2.269 1.00 0.00 O ATOM 869 CB ASP A 62 13.674 7.214 -3.908 1.00 0.00 C ATOM 870 CG ASP A 62 12.537 8.128 -4.369 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.959 7.821 -5.434 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.271 9.113 -3.646 1.00 0.00 O ATOM 0 H ASP A 62 11.390 6.181 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 62 14.055 5.374 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.849 7.384 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.586 7.502 -4.431 1.00 0.00 H new ATOM 876 N PRO A 63 15.055 5.182 -2.390 1.00 0.00 N ATOM 877 CA PRO A 63 15.527 4.548 -1.170 1.00 0.00 C ATOM 878 C PRO A 63 14.950 5.239 0.066 1.00 0.00 C ATOM 879 O PRO A 63 14.368 4.588 0.932 1.00 0.00 O ATOM 880 CB PRO A 63 17.042 4.631 -1.245 1.00 0.00 C ATOM 881 CG PRO A 63 17.350 5.713 -2.266 1.00 0.00 C ATOM 882 CD PRO A 63 16.071 6.009 -3.032 1.00 0.00 C ATOM 0 HA PRO A 63 15.202 3.511 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.468 4.879 -0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.471 3.676 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.715 6.613 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.135 5.383 -2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.813 7.067 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 63 16.175 5.760 -4.088 1.00 0.00 H new ATOM 887 N LYS A 64 15.131 6.552 0.109 1.00 0.00 N ATOM 888 CA LYS A 64 14.636 7.339 1.226 1.00 0.00 C ATOM 889 C LYS A 64 13.107 7.304 1.230 1.00 0.00 C ATOM 890 O LYS A 64 12.480 7.513 2.268 1.00 0.00 O ATOM 891 CB LYS A 64 15.219 8.753 1.184 1.00 0.00 C ATOM 892 CG LYS A 64 16.614 8.790 1.812 1.00 0.00 C ATOM 893 CD LYS A 64 17.695 8.544 0.757 1.00 0.00 C ATOM 894 CE LYS A 64 19.050 9.076 1.228 1.00 0.00 C ATOM 895 NZ LYS A 64 19.311 10.413 0.649 1.00 0.00 N ATOM 0 H LYS A 64 15.613 7.090 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 64 14.967 6.910 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.272 9.098 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.559 9.438 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.778 9.757 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.685 8.034 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.771 7.476 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.414 9.030 -0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.066 9.135 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.841 8.385 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.234 10.760 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.316 10.347 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.566 11.073 0.950 1.00 0.00 H new ATOM 905 N ALA A 65 12.548 7.039 0.058 1.00 0.00 N ATOM 906 CA ALA A 65 11.104 6.975 -0.086 1.00 0.00 C ATOM 907 C ALA A 65 10.563 5.817 0.757 1.00 0.00 C ATOM 908 O ALA A 65 9.769 6.030 1.672 1.00 0.00 O ATOM 909 CB ALA A 65 10.745 6.835 -1.567 1.00 0.00 C ATOM 0 H ALA A 65 13.070 6.866 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 65 10.640 7.892 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.662 6.787 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.127 7.695 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.190 5.923 -1.965 1.00 0.00 H new ATOM 915 N LEU A 66 11.014 4.619 0.417 1.00 0.00 N ATOM 916 CA LEU A 66 10.586 3.429 1.132 1.00 0.00 C ATOM 917 C LEU A 66 10.641 3.695 2.638 1.00 0.00 C ATOM 918 O LEU A 66 9.697 3.382 3.362 1.00 0.00 O ATOM 919 CB LEU A 66 11.406 2.214 0.692 1.00 0.00 C ATOM 920 CG LEU A 66 11.389 1.900 -0.805 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.433 0.838 -1.155 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.986 1.498 -1.265 1.00 0.00 C ATOM 0 H LEU A 66 11.671 4.447 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 66 9.551 3.191 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.440 2.368 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.041 1.340 1.231 1.00 0.00 H new ATOM 0 HG LEU A 66 11.658 2.807 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.399 0.634 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.425 1.200 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.219 -0.078 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.002 1.280 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.664 0.612 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.292 2.316 -1.072 1.00 0.00 H new ATOM 933 N MET A 67 11.756 4.269 3.064 1.00 0.00 N ATOM 934 CA MET A 67 11.946 4.581 4.471 1.00 0.00 C ATOM 935 C MET A 67 10.934 5.627 4.943 1.00 0.00 C ATOM 936 O MET A 67 10.555 5.646 6.113 1.00 0.00 O ATOM 937 CB MET A 67 13.365 5.109 4.689 1.00 0.00 C ATOM 938 CG MET A 67 14.351 3.960 4.911 1.00 0.00 C ATOM 939 SD MET A 67 16.024 4.580 4.910 1.00 0.00 S ATOM 940 CE MET A 67 16.377 4.518 3.161 1.00 0.00 C ATOM 0 H MET A 67 12.537 4.526 2.460 1.00 0.00 H new ATOM 0 HA MET A 67 11.794 3.670 5.050 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.675 5.697 3.825 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.380 5.777 5.550 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.138 3.466 5.859 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.232 3.211 4.128 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.118 3.743 2.967 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.462 4.291 2.613 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.766 5.482 2.834 1.00 0.00 H new ATOM 948 N ALA A 68 10.524 6.471 4.007 1.00 0.00 N ATOM 949 CA ALA A 68 9.563 7.517 4.313 1.00 0.00 C ATOM 950 C ALA A 68 8.151 6.928 4.295 1.00 0.00 C ATOM 951 O ALA A 68 7.235 7.484 4.898 1.00 0.00 O ATOM 952 CB ALA A 68 9.727 8.668 3.318 1.00 0.00 C ATOM 0 H ALA A 68 10.840 6.452 3.037 1.00 0.00 H new ATOM 0 HA ALA A 68 9.739 7.920 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.006 9.453 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.737 9.071 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.555 8.302 2.306 1.00 0.00 H new ATOM 958 N ILE A 69 8.020 5.809 3.597 1.00 0.00 N ATOM 959 CA ILE A 69 6.736 5.138 3.492 1.00 0.00 C ATOM 960 C ILE A 69 6.512 4.279 4.738 1.00 0.00 C ATOM 961 O ILE A 69 5.401 4.222 5.266 1.00 0.00 O ATOM 962 CB ILE A 69 6.645 4.355 2.181 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.786 5.287 0.976 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.357 3.532 2.122 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.541 4.599 -0.163 1.00 0.00 C ATOM 0 H ILE A 69 8.783 5.350 3.099 1.00 0.00 H new ATOM 0 HA ILE A 69 5.927 5.868 3.457 1.00 0.00 H new ATOM 0 HB ILE A 69 7.477 3.652 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.798 5.592 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.314 6.193 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.317 2.985 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.338 2.826 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.497 4.197 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.628 5.283 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.537 4.317 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.997 3.707 -0.473 1.00 0.00 H new ATOM 976 N LEU A 70 7.582 3.633 5.173 1.00 0.00 N ATOM 977 CA LEU A 70 7.517 2.779 6.348 1.00 0.00 C ATOM 978 C LEU A 70 7.268 3.641 7.586 1.00 0.00 C ATOM 979 O LEU A 70 6.789 3.147 8.606 1.00 0.00 O ATOM 980 CB LEU A 70 8.770 1.907 6.447 1.00 0.00 C ATOM 981 CG LEU A 70 9.112 1.080 5.205 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.623 0.866 5.089 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.344 -0.242 5.199 1.00 0.00 C ATOM 0 H LEU A 70 8.501 3.683 4.733 1.00 0.00 H new ATOM 0 HA LEU A 70 6.680 2.085 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.619 2.551 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.649 1.227 7.290 1.00 0.00 H new ATOM 0 HG LEU A 70 8.797 1.639 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.840 0.276 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.123 1.832 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.984 0.338 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.605 -0.810 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.606 -0.819 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.273 -0.040 5.200 1.00 0.00 H new ATOM 994 N GLU A 71 7.604 4.917 7.457 1.00 0.00 N ATOM 995 CA GLU A 71 7.423 5.854 8.554 1.00 0.00 C ATOM 996 C GLU A 71 6.067 6.552 8.437 1.00 0.00 C ATOM 997 O GLU A 71 5.396 6.785 9.441 1.00 0.00 O ATOM 998 CB GLU A 71 8.563 6.873 8.598 1.00 0.00 C ATOM 999 CG GLU A 71 9.834 6.249 9.177 1.00 0.00 C ATOM 1000 CD GLU A 71 10.860 7.326 9.535 1.00 0.00 C ATOM 1001 OE1 GLU A 71 11.113 8.181 8.659 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.368 7.270 10.676 1.00 0.00 O ATOM 0 H GLU A 71 8.000 5.324 6.610 1.00 0.00 H new ATOM 0 HA GLU A 71 7.443 5.296 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.762 7.245 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.266 7.730 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.586 5.668 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.265 5.557 8.454 1.00 0.00 H new ATOM 1007 N HIS A 72 5.704 6.865 7.202 1.00 0.00 N ATOM 1008 CA HIS A 72 4.439 7.534 6.941 1.00 0.00 C ATOM 1009 C HIS A 72 3.319 6.494 6.855 1.00 0.00 C ATOM 1010 O HIS A 72 2.141 6.848 6.833 1.00 0.00 O ATOM 1011 CB HIS A 72 4.535 8.407 5.689 1.00 0.00 C ATOM 1012 CG HIS A 72 5.496 9.565 5.820 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.171 10.855 5.441 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.775 9.612 6.293 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.216 11.636 5.678 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.208 10.864 6.206 1.00 0.00 N ATOM 0 H HIS A 72 6.262 6.668 6.371 1.00 0.00 H new ATOM 0 HA HIS A 72 4.201 8.207 7.765 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.843 7.786 4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.544 8.795 5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.339 8.773 6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.272 12.697 5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.131 11.194 6.488 1.00 0.00 H new ATOM 1023 N SER A 73 3.726 5.234 6.807 1.00 0.00 N ATOM 1024 CA SER A 73 2.772 4.143 6.724 1.00 0.00 C ATOM 1025 C SER A 73 1.652 4.347 7.746 1.00 0.00 C ATOM 1026 O SER A 73 0.485 4.093 7.453 1.00 0.00 O ATOM 1027 CB SER A 73 3.457 2.793 6.950 1.00 0.00 C ATOM 1028 OG SER A 73 3.239 2.298 8.268 1.00 0.00 O ATOM 0 H SER A 73 4.704 4.945 6.824 1.00 0.00 H new ATOM 0 HA SER A 73 2.344 4.140 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.082 2.071 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.528 2.896 6.774 1.00 0.00 H new ATOM 0 HG SER A 73 3.690 1.434 8.372 1.00 0.00 H new ATOM 1033 N HIS A 74 2.047 4.803 8.926 1.00 0.00 N ATOM 1034 CA HIS A 74 1.091 5.044 9.994 1.00 0.00 C ATOM 1035 C HIS A 74 -0.056 5.909 9.469 1.00 0.00 C ATOM 1036 O HIS A 74 -1.148 5.908 10.035 1.00 0.00 O ATOM 1037 CB HIS A 74 1.783 5.654 11.215 1.00 0.00 C ATOM 1038 CG HIS A 74 1.677 7.158 11.294 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.552 7.806 11.770 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.567 8.133 10.953 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.766 9.112 11.714 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.015 9.312 11.206 1.00 0.00 N ATOM 0 H HIS A 74 3.016 5.012 9.166 1.00 0.00 H new ATOM 0 HA HIS A 74 0.664 4.098 10.326 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.352 5.222 12.118 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.836 5.375 11.200 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.554 7.972 10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.073 9.883 12.017 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.453 10.219 11.047 1.00 0.00 H new ATOM 1049 N ARG A 75 0.231 6.628 8.393 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.763 7.496 7.786 1.00 0.00 C ATOM 1051 C ARG A 75 -1.381 6.820 6.561 1.00 0.00 C ATOM 1052 O ARG A 75 -2.582 6.940 6.320 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.146 8.832 7.366 1.00 0.00 C ATOM 1054 CG ARG A 75 0.857 9.325 8.411 1.00 0.00 C ATOM 1055 CD ARG A 75 0.804 10.848 8.546 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.550 11.272 8.968 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.914 12.549 9.153 1.00 0.00 C ATOM 1058 NH1 ARG A 75 -0.027 13.533 8.953 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -2.164 12.840 9.536 1.00 0.00 N ATOM 0 H ARG A 75 1.138 6.627 7.926 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.537 7.685 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.352 8.720 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.933 9.574 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.641 8.863 9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.863 9.016 8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.542 11.183 9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.060 11.315 7.595 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.250 10.547 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.924 13.310 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.303 14.505 9.093 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.839 12.090 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.441 13.811 9.677 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.532 6.124 5.818 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.980 5.429 4.623 1.00 0.00 C ATOM 1072 C ILE A 76 -2.335 4.772 4.897 1.00 0.00 C ATOM 1073 O ILE A 76 -2.447 3.912 5.770 1.00 0.00 O ATOM 1074 CB ILE A 76 0.091 4.449 4.140 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.365 5.190 3.727 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.445 3.559 3.017 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.409 4.218 3.173 1.00 0.00 C ATOM 0 H ILE A 76 0.463 6.027 6.021 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.127 6.135 3.805 1.00 0.00 H new ATOM 0 HB ILE A 76 0.354 3.794 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.126 5.940 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.776 5.720 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.337 2.872 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.300 2.990 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.754 4.180 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.304 4.770 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.664 3.484 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.003 3.707 2.300 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.329 5.203 4.137 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.672 4.667 4.288 1.00 0.00 C ATOM 1090 C ARG A 77 -5.282 4.370 2.915 1.00 0.00 C ATOM 1091 O ARG A 77 -5.321 5.240 2.047 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.576 5.649 5.036 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.343 5.564 6.546 1.00 0.00 C ATOM 1094 CD ARG A 77 -5.931 6.783 7.260 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.285 6.432 8.654 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.282 5.603 8.990 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -8.033 5.036 8.035 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -7.531 5.342 10.281 1.00 0.00 N ATOM 0 H ARG A 77 -3.233 5.917 3.415 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.598 3.745 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.381 6.664 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.620 5.431 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.798 4.654 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.274 5.499 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.210 7.601 7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.816 7.134 6.729 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.735 6.848 9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.845 5.236 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.792 4.405 8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.961 5.775 11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.290 4.711 10.536 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.742 3.137 2.763 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.347 2.713 1.512 1.00 0.00 C ATOM 1111 C PHE A 78 -7.836 3.063 1.478 1.00 0.00 C ATOM 1112 O PHE A 78 -8.518 2.991 2.498 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.191 1.194 1.431 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.834 0.736 0.891 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.687 1.203 1.452 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.776 -0.138 -0.149 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.427 0.778 0.951 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.518 -0.563 -0.651 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.369 -0.096 -0.090 1.00 0.00 C ATOM 0 H PHE A 78 -5.708 2.418 3.486 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.863 3.216 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.337 0.770 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.979 0.791 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.733 1.897 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.688 -0.509 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.516 1.149 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.473 -1.257 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.412 -0.419 -0.471 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.297 3.434 0.292 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.693 3.794 0.110 1.00 0.00 C ATOM 1130 C LYS A 79 -10.265 3.024 -1.081 1.00 0.00 C ATOM 1131 O LYS A 79 -9.811 3.196 -2.211 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.842 5.313 -0.011 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.116 5.947 1.354 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.619 6.060 1.615 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.184 7.354 1.025 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.641 7.443 1.269 1.00 0.00 N ATOM 0 H LYS A 79 -7.728 3.493 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.277 3.507 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.934 5.738 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.657 5.549 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.652 5.348 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.660 6.936 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.133 5.203 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.808 6.033 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.682 8.213 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.986 7.389 -0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.008 8.327 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.118 6.633 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.823 7.432 2.293 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.251 2.190 -0.787 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.888 1.391 -1.819 1.00 0.00 C ATOM 1148 C LEU A 80 -13.083 2.160 -2.387 1.00 0.00 C ATOM 1149 O LEU A 80 -13.638 3.033 -1.721 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.249 0.005 -1.279 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.110 -1.015 -1.236 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.616 -2.383 -0.774 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.393 -1.094 -2.586 1.00 0.00 C ATOM 0 H LEU A 80 -11.625 2.050 0.152 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.198 1.215 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.644 0.122 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.053 -0.403 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.378 -0.678 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.786 -3.090 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.043 -2.295 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.379 -2.741 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.588 -1.826 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.102 -1.395 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.978 -0.117 -2.835 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.445 1.807 -3.612 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.564 2.453 -4.277 1.00 0.00 C ATOM 1166 C LYS A 81 -15.796 2.388 -3.372 1.00 0.00 C ATOM 1167 O LYS A 81 -16.729 3.172 -3.531 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.785 1.847 -5.664 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.185 0.373 -5.561 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.474 -0.463 -6.627 1.00 0.00 C ATOM 1171 CE LYS A 81 -14.572 -1.956 -6.305 1.00 0.00 C ATOM 1172 NZ LYS A 81 -13.383 -2.400 -5.543 1.00 0.00 N ATOM 0 H LYS A 81 -12.983 1.082 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.349 3.508 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.563 2.403 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.874 1.940 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.936 -0.007 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.264 0.276 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.917 -0.268 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.426 -0.168 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.475 -2.151 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.654 -2.529 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.465 -3.415 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.526 -2.232 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.322 -1.866 -4.653 1.00 0.00 H new