USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 98:sc= 0.0794 USER MOD Single : A 26 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.57) USER MOD Single : A 27 SER OG : rot -160:sc= -0.654 USER MOD Single : A 31 THR OG1 : rot -50:sc= -0.766 USER MOD Single : A 35 GLN : amide:sc= -8.57! C(o=-8.6!,f=-8.6!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 70 SER OG : rot -127:sc= -1.03 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.41) USER MOD Single : A 85 ASN : amide:sc= -0.565 K(o=-0.56,f=-4.7!) USER MOD Single : A 86 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.67) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -136:sc= -1.17 (180deg=-2.21!) USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0317) USER MOD Single : A 102 THR OG1 : rot 41:sc= 0.138 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= -1.88! (180deg=-2.11!) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.674 15.764 3.370 1.00 0.00 N ATOM 118 CA PRO A 12 5.825 14.693 2.840 1.00 0.00 C ATOM 119 C PRO A 12 5.565 13.597 3.867 1.00 0.00 C ATOM 120 O PRO A 12 6.498 13.056 4.461 1.00 0.00 O ATOM 121 CB PRO A 12 6.639 14.143 1.666 1.00 0.00 C ATOM 122 CG PRO A 12 8.054 14.470 2.000 1.00 0.00 C ATOM 123 CD PRO A 12 8.011 15.770 2.754 1.00 0.00 C ATOM 0 HA PRO A 12 4.837 15.058 2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.497 13.068 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.338 14.603 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.504 13.683 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.657 14.562 1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.799 15.825 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.143 16.624 2.090 1.00 0.00 H new ATOM 131 N ARG A 13 4.292 13.274 4.073 1.00 0.00 N ATOM 132 CA ARG A 13 3.910 12.243 5.030 1.00 0.00 C ATOM 133 C ARG A 13 2.857 11.312 4.435 1.00 0.00 C ATOM 134 O ARG A 13 1.769 11.749 4.059 1.00 0.00 O ATOM 135 CB ARG A 13 3.376 12.881 6.313 1.00 0.00 C ATOM 136 CG ARG A 13 4.468 13.374 7.249 1.00 0.00 C ATOM 137 CD ARG A 13 4.028 13.305 8.703 1.00 0.00 C ATOM 138 NE ARG A 13 5.104 13.675 9.618 1.00 0.00 N ATOM 139 CZ ARG A 13 5.032 13.527 10.936 1.00 0.00 C ATOM 140 NH1 ARG A 13 3.940 13.019 11.490 1.00 0.00 N ATOM 141 NH2 ARG A 13 6.053 13.887 11.703 1.00 0.00 N ATOM 0 H ARG A 13 3.508 13.712 3.590 1.00 0.00 H new ATOM 0 HA ARG A 13 4.797 11.656 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.729 13.718 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.758 12.154 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.366 12.772 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.730 14.401 6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.177 13.969 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.689 12.295 8.932 1.00 0.00 H new ATOM 0 HE ARG A 13 5.958 14.069 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.153 12.741 10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.887 12.906 12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.895 14.278 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.996 13.773 12.715 1.00 0.00 H new ATOM 155 N PHE A 14 3.189 10.028 4.352 1.00 0.00 N ATOM 156 CA PHE A 14 2.273 9.036 3.802 1.00 0.00 C ATOM 157 C PHE A 14 0.913 9.111 4.489 1.00 0.00 C ATOM 158 O PHE A 14 0.779 9.703 5.560 1.00 0.00 O ATOM 159 CB PHE A 14 2.858 7.631 3.955 1.00 0.00 C ATOM 160 CG PHE A 14 3.978 7.340 2.998 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.742 7.269 1.634 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.268 7.139 3.461 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.771 7.001 0.752 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.302 6.871 2.584 1.00 0.00 C ATOM 165 CZ PHE A 14 6.053 6.803 1.227 1.00 0.00 C ATOM 0 H PHE A 14 4.085 9.650 4.659 1.00 0.00 H new ATOM 0 HA PHE A 14 2.137 9.252 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.221 7.507 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.065 6.898 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.742 7.425 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.468 7.192 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.573 6.946 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.303 6.715 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.859 6.595 0.539 1.00 0.00 H new ATOM 175 N GLU A 15 -0.094 8.507 3.865 1.00 0.00 N ATOM 176 CA GLU A 15 -1.444 8.507 4.416 1.00 0.00 C ATOM 177 C GLU A 15 -1.512 7.665 5.687 1.00 0.00 C ATOM 178 O GLU A 15 -2.061 8.095 6.702 1.00 0.00 O ATOM 179 CB GLU A 15 -2.440 7.974 3.384 1.00 0.00 C ATOM 180 CG GLU A 15 -2.658 8.911 2.208 1.00 0.00 C ATOM 181 CD GLU A 15 -3.772 9.910 2.458 1.00 0.00 C ATOM 182 OE1 GLU A 15 -3.835 10.459 3.578 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.580 10.142 1.535 1.00 0.00 O ATOM 0 H GLU A 15 -0.000 8.012 2.978 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.707 9.535 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.085 7.013 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.396 7.792 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.733 9.448 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.893 8.325 1.320 1.00 0.00 H new ATOM 190 N LYS A 16 -0.951 6.462 5.624 1.00 0.00 N ATOM 191 CA LYS A 16 -0.946 5.559 6.768 1.00 0.00 C ATOM 192 C LYS A 16 0.479 5.281 7.237 1.00 0.00 C ATOM 193 O LYS A 16 1.410 5.240 6.432 1.00 0.00 O ATOM 194 CB LYS A 16 -1.642 4.244 6.409 1.00 0.00 C ATOM 195 CG LYS A 16 -2.978 4.433 5.712 1.00 0.00 C ATOM 196 CD LYS A 16 -3.427 3.162 5.012 1.00 0.00 C ATOM 197 CE LYS A 16 -2.911 3.100 3.583 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.765 2.235 2.722 1.00 0.00 N ATOM 0 H LYS A 16 -0.494 6.090 4.792 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.489 6.041 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.985 3.659 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.795 3.664 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.731 4.733 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.899 5.241 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.070 2.294 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.516 3.112 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.876 4.106 3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.890 2.719 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.380 2.219 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.778 1.268 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.734 2.613 2.702 1.00 0.00 H new ATOM 212 N SER A 17 0.641 5.089 8.542 1.00 0.00 N ATOM 213 CA SER A 17 1.953 4.817 9.117 1.00 0.00 C ATOM 214 C SER A 17 2.493 3.477 8.629 1.00 0.00 C ATOM 215 O SER A 17 3.674 3.350 8.305 1.00 0.00 O ATOM 216 CB SER A 17 1.874 4.822 10.645 1.00 0.00 C ATOM 217 OG SER A 17 1.444 6.082 11.129 1.00 0.00 O ATOM 0 H SER A 17 -0.120 5.117 9.221 1.00 0.00 H new ATOM 0 HA SER A 17 2.635 5.603 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.185 4.046 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.851 4.582 11.064 1.00 0.00 H new ATOM 0 HG SER A 17 1.400 6.059 12.108 1.00 0.00 H new ATOM 223 N VAL A 18 1.619 2.476 8.578 1.00 0.00 N ATOM 224 CA VAL A 18 2.006 1.145 8.128 1.00 0.00 C ATOM 225 C VAL A 18 0.999 0.588 7.127 1.00 0.00 C ATOM 226 O VAL A 18 -0.040 0.051 7.510 1.00 0.00 O ATOM 227 CB VAL A 18 2.131 0.167 9.311 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.573 -1.205 8.826 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.098 0.711 10.352 1.00 0.00 C ATOM 0 H VAL A 18 0.638 2.563 8.843 1.00 0.00 H new ATOM 0 HA VAL A 18 2.978 1.245 7.644 1.00 0.00 H new ATOM 0 HB VAL A 18 1.152 0.062 9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.656 -1.882 9.676 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.839 -1.596 8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.541 -1.122 8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.174 0.007 11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.080 0.847 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.733 1.669 10.722 1.00 0.00 H new ATOM 239 N TYR A 19 1.315 0.720 5.844 1.00 0.00 N ATOM 240 CA TYR A 19 0.437 0.232 4.787 1.00 0.00 C ATOM 241 C TYR A 19 0.247 -1.278 4.890 1.00 0.00 C ATOM 242 O TYR A 19 1.156 -2.050 4.590 1.00 0.00 O ATOM 243 CB TYR A 19 1.007 0.593 3.414 1.00 0.00 C ATOM 244 CG TYR A 19 0.734 2.022 3.001 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.008 3.079 3.860 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.202 2.314 1.751 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.759 4.385 3.487 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.049 3.618 1.369 1.00 0.00 C ATOM 249 CZ TYR A 19 0.231 4.650 2.240 1.00 0.00 C ATOM 250 OH TYR A 19 -0.017 5.950 1.865 1.00 0.00 O ATOM 0 H TYR A 19 2.172 1.161 5.511 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.535 0.711 4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.084 0.425 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.585 -0.079 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.423 2.876 4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.019 1.508 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.976 5.195 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.462 3.828 0.394 1.00 0.00 H new ATOM 0 HH TYR A 19 0.723 6.278 1.312 1.00 0.00 H new ATOM 260 N GLU A 20 -0.943 -1.690 5.318 1.00 0.00 N ATOM 261 CA GLU A 20 -1.253 -3.108 5.461 1.00 0.00 C ATOM 262 C GLU A 20 -2.188 -3.575 4.350 1.00 0.00 C ATOM 263 O GLU A 20 -3.343 -3.156 4.278 1.00 0.00 O ATOM 264 CB GLU A 20 -1.890 -3.378 6.826 1.00 0.00 C ATOM 265 CG GLU A 20 -1.772 -4.824 7.277 1.00 0.00 C ATOM 266 CD GLU A 20 -2.370 -5.057 8.651 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.321 -4.127 9.484 1.00 0.00 O ATOM 268 OE2 GLU A 20 -2.886 -6.167 8.894 1.00 0.00 O ATOM 0 H GLU A 20 -1.707 -1.063 5.571 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.320 -3.667 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.421 -2.735 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.944 -3.103 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.271 -5.468 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.721 -5.113 7.289 1.00 0.00 H new ATOM 275 N ALA A 21 -1.680 -4.447 3.485 1.00 0.00 N ATOM 276 CA ALA A 21 -2.469 -4.973 2.378 1.00 0.00 C ATOM 277 C ALA A 21 -2.286 -6.480 2.240 1.00 0.00 C ATOM 278 O ALA A 21 -1.374 -7.061 2.830 1.00 0.00 O ATOM 279 CB ALA A 21 -2.091 -4.273 1.081 1.00 0.00 C ATOM 0 H ALA A 21 -0.726 -4.804 3.530 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.520 -4.779 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.688 -4.676 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.280 -3.204 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.034 -4.437 0.874 1.00 0.00 H new ATOM 285 N ASP A 22 -3.157 -7.109 1.460 1.00 0.00 N ATOM 286 CA ASP A 22 -3.091 -8.550 1.245 1.00 0.00 C ATOM 287 C ASP A 22 -2.667 -8.867 -0.186 1.00 0.00 C ATOM 288 O ASP A 22 -3.354 -8.507 -1.143 1.00 0.00 O ATOM 289 CB ASP A 22 -4.446 -9.194 1.543 1.00 0.00 C ATOM 290 CG ASP A 22 -5.459 -8.949 0.443 1.00 0.00 C ATOM 291 OD1 ASP A 22 -6.149 -7.909 0.492 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.561 -9.796 -0.469 1.00 0.00 O ATOM 0 H ASP A 22 -3.918 -6.644 0.965 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.345 -8.960 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.313 -10.267 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.833 -8.801 2.483 1.00 0.00 H new ATOM 297 N LEU A 23 -1.531 -9.542 -0.325 1.00 0.00 N ATOM 298 CA LEU A 23 -1.014 -9.907 -1.639 1.00 0.00 C ATOM 299 C LEU A 23 -1.197 -11.399 -1.901 1.00 0.00 C ATOM 300 O LEU A 23 -0.904 -12.230 -1.042 1.00 0.00 O ATOM 301 CB LEU A 23 0.466 -9.536 -1.748 1.00 0.00 C ATOM 302 CG LEU A 23 1.069 -9.589 -3.152 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.157 -11.027 -3.641 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.251 -8.745 -4.117 1.00 0.00 C ATOM 0 H LEU A 23 -0.951 -9.847 0.456 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.577 -9.353 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.597 -8.528 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.036 -10.205 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 23 2.078 -9.179 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.588 -11.045 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.787 -11.604 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.159 -11.464 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.696 -8.795 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.770 -9.124 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.240 -7.710 -3.776 1.00 0.00 H new ATOM 316 N ALA A 24 -1.680 -11.730 -3.094 1.00 0.00 N ATOM 317 CA ALA A 24 -1.897 -13.122 -3.470 1.00 0.00 C ATOM 318 C ALA A 24 -0.590 -13.787 -3.891 1.00 0.00 C ATOM 319 O ALA A 24 0.057 -13.355 -4.844 1.00 0.00 O ATOM 320 CB ALA A 24 -2.922 -13.211 -4.591 1.00 0.00 C ATOM 0 H ALA A 24 -1.928 -11.054 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.280 -13.653 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.075 -14.256 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.866 -12.781 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.561 -12.660 -5.459 1.00 0.00 H new ATOM 326 N GLU A 25 -0.209 -14.839 -3.173 1.00 0.00 N ATOM 327 CA GLU A 25 1.021 -15.561 -3.473 1.00 0.00 C ATOM 328 C GLU A 25 1.169 -15.785 -4.975 1.00 0.00 C ATOM 329 O GLU A 25 2.258 -15.646 -5.530 1.00 0.00 O ATOM 330 CB GLU A 25 1.041 -16.905 -2.742 1.00 0.00 C ATOM 331 CG GLU A 25 0.075 -17.926 -3.318 1.00 0.00 C ATOM 332 CD GLU A 25 0.236 -19.299 -2.695 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.074 -20.080 -3.191 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.476 -19.592 -1.712 1.00 0.00 O ATOM 0 H GLU A 25 -0.734 -15.209 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 25 1.860 -14.956 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.051 -17.313 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.800 -16.741 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.947 -17.580 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.229 -17.999 -4.395 1.00 0.00 H new ATOM 341 N ASN A 26 0.064 -16.134 -5.627 1.00 0.00 N ATOM 342 CA ASN A 26 0.069 -16.379 -7.064 1.00 0.00 C ATOM 343 C ASN A 26 -0.208 -15.092 -7.836 1.00 0.00 C ATOM 344 O ASN A 26 -0.939 -15.096 -8.827 1.00 0.00 O ATOM 345 CB ASN A 26 -0.973 -17.439 -7.426 1.00 0.00 C ATOM 346 CG ASN A 26 -0.624 -18.806 -6.871 1.00 0.00 C ATOM 347 OD1 ASN A 26 -1.264 -19.292 -5.939 1.00 0.00 O ATOM 348 ND2 ASN A 26 0.396 -19.434 -7.444 1.00 0.00 N ATOM 0 H ASN A 26 -0.846 -16.253 -5.182 1.00 0.00 H new ATOM 0 HA ASN A 26 1.058 -16.743 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.947 -17.133 -7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.062 -17.502 -8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.677 -20.357 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.899 -18.993 -8.214 1.00 0.00 H new ATOM 355 N SER A 27 0.382 -13.994 -7.376 1.00 0.00 N ATOM 356 CA SER A 27 0.196 -12.699 -8.021 1.00 0.00 C ATOM 357 C SER A 27 1.204 -12.505 -9.150 1.00 0.00 C ATOM 358 O SER A 27 2.413 -12.485 -8.921 1.00 0.00 O ATOM 359 CB SER A 27 0.337 -11.571 -6.997 1.00 0.00 C ATOM 360 OG SER A 27 -0.896 -11.317 -6.346 1.00 0.00 O ATOM 0 H SER A 27 0.993 -13.975 -6.559 1.00 0.00 H new ATOM 0 HA SER A 27 -0.808 -12.672 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.093 -11.838 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.683 -10.665 -7.495 1.00 0.00 H new ATOM 0 HG SER A 27 -0.877 -10.422 -5.948 1.00 0.00 H new ATOM 366 N ALA A 28 0.696 -12.363 -10.370 1.00 0.00 N ATOM 367 CA ALA A 28 1.550 -12.169 -11.535 1.00 0.00 C ATOM 368 C ALA A 28 2.727 -11.256 -11.207 1.00 0.00 C ATOM 369 O ALA A 28 2.706 -10.501 -10.235 1.00 0.00 O ATOM 370 CB ALA A 28 0.743 -11.598 -12.691 1.00 0.00 C ATOM 0 H ALA A 28 -0.303 -12.379 -10.577 1.00 0.00 H new ATOM 0 HA ALA A 28 1.948 -13.140 -11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.393 -11.458 -13.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.060 -12.288 -12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.317 -10.638 -12.398 1.00 0.00 H new ATOM 376 N PRO A 29 3.780 -11.326 -12.035 1.00 0.00 N ATOM 377 CA PRO A 29 4.985 -10.512 -11.853 1.00 0.00 C ATOM 378 C PRO A 29 4.736 -9.035 -12.136 1.00 0.00 C ATOM 379 O PRO A 29 5.664 -8.227 -12.132 1.00 0.00 O ATOM 380 CB PRO A 29 5.964 -11.095 -12.876 1.00 0.00 C ATOM 381 CG PRO A 29 5.099 -11.701 -13.926 1.00 0.00 C ATOM 382 CD PRO A 29 3.873 -12.204 -13.214 1.00 0.00 C ATOM 0 HA PRO A 29 5.349 -10.546 -10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.609 -10.321 -13.292 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.615 -11.841 -12.420 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.835 -10.966 -14.686 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.616 -12.514 -14.435 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.985 -12.130 -13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.975 -13.251 -12.929 1.00 0.00 H new ATOM 390 N GLY A 30 3.476 -8.688 -12.381 1.00 0.00 N ATOM 391 CA GLY A 30 3.128 -7.308 -12.662 1.00 0.00 C ATOM 392 C GLY A 30 1.818 -6.897 -12.019 1.00 0.00 C ATOM 393 O GLY A 30 1.280 -5.829 -12.313 1.00 0.00 O ATOM 0 H GLY A 30 2.690 -9.338 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.925 -6.656 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.060 -7.166 -13.741 1.00 0.00 H new ATOM 397 N THR A 31 1.301 -7.749 -11.139 1.00 0.00 N ATOM 398 CA THR A 31 0.044 -7.471 -10.454 1.00 0.00 C ATOM 399 C THR A 31 0.167 -6.246 -9.556 1.00 0.00 C ATOM 400 O THR A 31 1.085 -6.131 -8.744 1.00 0.00 O ATOM 401 CB THR A 31 -0.411 -8.673 -9.605 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.574 -9.827 -10.437 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.719 -8.367 -8.891 1.00 0.00 C ATOM 0 H THR A 31 1.733 -8.637 -10.884 1.00 0.00 H new ATOM 0 HA THR A 31 -0.701 -7.279 -11.226 1.00 0.00 H new ATOM 0 HB THR A 31 0.356 -8.871 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.127 -9.596 -11.213 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.020 -9.230 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.583 -7.506 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.492 -8.145 -9.627 1.00 0.00 H new ATOM 411 N PRO A 32 -0.780 -5.307 -9.702 1.00 0.00 N ATOM 412 CA PRO A 32 -0.800 -4.073 -8.911 1.00 0.00 C ATOM 413 C PRO A 32 -1.142 -4.329 -7.447 1.00 0.00 C ATOM 414 O PRO A 32 -2.163 -4.942 -7.136 1.00 0.00 O ATOM 415 CB PRO A 32 -1.898 -3.241 -9.578 1.00 0.00 C ATOM 416 CG PRO A 32 -2.793 -4.242 -10.223 1.00 0.00 C ATOM 417 CD PRO A 32 -1.904 -5.377 -10.651 1.00 0.00 C ATOM 0 HA PRO A 32 0.174 -3.584 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.438 -2.640 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.481 -2.551 -10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.558 -4.587 -9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.311 -3.808 -11.078 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.420 -6.335 -10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.568 -5.258 -11.681 1.00 0.00 H new ATOM 425 N ILE A 33 -0.281 -3.856 -6.552 1.00 0.00 N ATOM 426 CA ILE A 33 -0.494 -4.032 -5.121 1.00 0.00 C ATOM 427 C ILE A 33 -1.234 -2.840 -4.523 1.00 0.00 C ATOM 428 O ILE A 33 -2.369 -2.968 -4.062 1.00 0.00 O ATOM 429 CB ILE A 33 0.839 -4.222 -4.373 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.614 -5.405 -4.958 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.588 -4.430 -2.887 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.110 -5.304 -4.760 1.00 0.00 C ATOM 0 H ILE A 33 0.570 -3.348 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.101 -4.930 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 33 1.439 -3.321 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.256 -6.326 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.401 -5.477 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.540 -4.563 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.073 -3.560 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.029 -5.317 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.595 -6.176 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.481 -4.400 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.334 -5.263 -3.694 1.00 0.00 H new ATOM 444 N LEU A 34 -0.585 -1.681 -4.536 1.00 0.00 N ATOM 445 CA LEU A 34 -1.182 -0.464 -3.997 1.00 0.00 C ATOM 446 C LEU A 34 -0.386 0.766 -4.421 1.00 0.00 C ATOM 447 O LEU A 34 0.828 0.697 -4.608 1.00 0.00 O ATOM 448 CB LEU A 34 -1.252 -0.539 -2.471 1.00 0.00 C ATOM 449 CG LEU A 34 0.081 -0.730 -1.747 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.785 0.605 -1.564 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.136 -1.410 -0.402 1.00 0.00 C ATOM 0 H LEU A 34 0.354 -1.558 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.192 -0.376 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.715 0.377 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.912 -1.362 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 34 0.716 -1.371 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.732 0.449 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.974 1.054 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.155 1.271 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.823 -1.538 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.789 -0.794 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.597 -2.385 -0.558 1.00 0.00 H new ATOM 463 N GLN A 35 -1.079 1.891 -4.569 1.00 0.00 N ATOM 464 CA GLN A 35 -0.437 3.137 -4.969 1.00 0.00 C ATOM 465 C GLN A 35 -0.074 3.978 -3.750 1.00 0.00 C ATOM 466 O GLN A 35 -0.951 4.486 -3.050 1.00 0.00 O ATOM 467 CB GLN A 35 -1.354 3.933 -5.898 1.00 0.00 C ATOM 468 CG GLN A 35 -0.711 5.192 -6.456 1.00 0.00 C ATOM 469 CD GLN A 35 -1.596 5.905 -7.460 1.00 0.00 C ATOM 470 OE1 GLN A 35 -2.821 5.788 -7.417 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.979 6.648 -8.370 1.00 0.00 N ATOM 0 H GLN A 35 -2.085 1.965 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 35 0.481 2.888 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.661 3.294 -6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.258 4.207 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.479 5.871 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.235 4.932 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.039 6.716 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.522 7.151 -9.071 1.00 0.00 H new ATOM 480 N LEU A 36 1.223 4.122 -3.501 1.00 0.00 N ATOM 481 CA LEU A 36 1.702 4.902 -2.365 1.00 0.00 C ATOM 482 C LEU A 36 1.378 6.382 -2.545 1.00 0.00 C ATOM 483 O LEU A 36 1.877 7.029 -3.466 1.00 0.00 O ATOM 484 CB LEU A 36 3.211 4.716 -2.194 1.00 0.00 C ATOM 485 CG LEU A 36 3.667 3.337 -1.717 1.00 0.00 C ATOM 486 CD1 LEU A 36 5.170 3.181 -1.893 1.00 0.00 C ATOM 487 CD2 LEU A 36 3.273 3.117 -0.264 1.00 0.00 C ATOM 0 H LEU A 36 1.962 3.709 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 36 1.194 4.544 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.693 4.926 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.571 5.461 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 36 3.170 2.581 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.476 2.193 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.427 3.293 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.686 3.945 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.606 2.130 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.741 3.879 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.189 3.184 -0.167 1.00 0.00 H new ATOM 499 N ARG A 37 0.541 6.911 -1.659 1.00 0.00 N ATOM 500 CA ARG A 37 0.151 8.315 -1.720 1.00 0.00 C ATOM 501 C ARG A 37 0.537 9.042 -0.435 1.00 0.00 C ATOM 502 O ARG A 37 0.665 8.427 0.624 1.00 0.00 O ATOM 503 CB ARG A 37 -1.355 8.438 -1.956 1.00 0.00 C ATOM 504 CG ARG A 37 -1.760 8.260 -3.410 1.00 0.00 C ATOM 505 CD ARG A 37 -3.240 7.937 -3.540 1.00 0.00 C ATOM 506 NE ARG A 37 -3.498 6.503 -3.441 1.00 0.00 N ATOM 507 CZ ARG A 37 -4.672 5.946 -3.720 1.00 0.00 C ATOM 508 NH1 ARG A 37 -5.689 6.699 -4.113 1.00 0.00 N ATOM 509 NH2 ARG A 37 -4.829 4.634 -3.605 1.00 0.00 N ATOM 0 H ARG A 37 0.120 6.389 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 37 0.681 8.778 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.871 7.693 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.689 9.417 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.535 9.170 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.171 7.459 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.795 8.460 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.609 8.307 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.735 5.896 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.572 7.708 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.589 6.269 -4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.048 4.052 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.730 4.208 -3.819 1.00 0.00 H new ATOM 697 N TYR A 51 8.680 8.497 -4.276 1.00 0.00 N ATOM 698 CA TYR A 51 8.443 7.292 -3.491 1.00 0.00 C ATOM 699 C TYR A 51 9.454 6.204 -3.844 1.00 0.00 C ATOM 700 O TYR A 51 9.363 5.575 -4.898 1.00 0.00 O ATOM 701 CB TYR A 51 7.022 6.777 -3.723 1.00 0.00 C ATOM 702 CG TYR A 51 5.957 7.834 -3.531 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.565 8.231 -2.259 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.343 8.435 -4.623 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.592 9.195 -2.079 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.370 9.401 -4.453 1.00 0.00 C ATOM 707 CZ TYR A 51 3.998 9.777 -3.179 1.00 0.00 C ATOM 708 OH TYR A 51 3.029 10.739 -3.004 1.00 0.00 O ATOM 0 HA TYR A 51 8.562 7.547 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.949 6.379 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.828 5.949 -3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.029 7.778 -1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.631 8.142 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.298 9.491 -1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.903 9.859 -5.313 1.00 0.00 H new ATOM 0 HH TYR A 51 2.713 11.048 -3.879 1.00 0.00 H new ATOM 718 N VAL A 52 10.417 5.989 -2.954 1.00 0.00 N ATOM 719 CA VAL A 52 11.444 4.977 -3.169 1.00 0.00 C ATOM 720 C VAL A 52 11.448 3.949 -2.042 1.00 0.00 C ATOM 721 O VAL A 52 10.654 4.037 -1.105 1.00 0.00 O ATOM 722 CB VAL A 52 12.844 5.611 -3.274 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.927 6.522 -4.489 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.180 6.374 -2.002 1.00 0.00 C ATOM 0 H VAL A 52 10.507 6.502 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 52 11.206 4.480 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 52 13.577 4.814 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.923 6.961 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.732 5.943 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.185 7.316 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.172 6.815 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.445 7.164 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.164 5.691 -1.153 1.00 0.00 H new ATOM 734 N PHE A 53 12.346 2.975 -2.140 1.00 0.00 N ATOM 735 CA PHE A 53 12.453 1.929 -1.130 1.00 0.00 C ATOM 736 C PHE A 53 13.402 2.349 -0.011 1.00 0.00 C ATOM 737 O PHE A 53 14.621 2.313 -0.170 1.00 0.00 O ATOM 738 CB PHE A 53 12.940 0.625 -1.765 1.00 0.00 C ATOM 739 CG PHE A 53 11.827 -0.256 -2.255 1.00 0.00 C ATOM 740 CD1 PHE A 53 10.864 -0.731 -1.380 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.743 -0.609 -3.593 1.00 0.00 C ATOM 742 CE1 PHE A 53 9.838 -1.541 -1.828 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.719 -1.418 -4.047 1.00 0.00 C ATOM 744 CZ PHE A 53 9.766 -1.886 -3.163 1.00 0.00 C ATOM 0 H PHE A 53 13.011 2.888 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 53 11.463 1.769 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.600 0.861 -2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.534 0.075 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.916 -0.465 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.486 -0.248 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.093 -1.904 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.664 -1.684 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.966 -2.520 -3.515 1.00 0.00 H new ATOM 754 N GLY A 54 12.831 2.748 1.122 1.00 0.00 N ATOM 755 CA GLY A 54 13.640 3.170 2.251 1.00 0.00 C ATOM 756 C GLY A 54 14.659 2.124 2.657 1.00 0.00 C ATOM 757 O GLY A 54 15.729 2.024 2.057 1.00 0.00 O ATOM 0 H GLY A 54 11.824 2.786 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.156 4.096 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.990 3.388 3.098 1.00 0.00 H new ATOM 761 N ALA A 55 14.328 1.344 3.681 1.00 0.00 N ATOM 762 CA ALA A 55 15.222 0.301 4.166 1.00 0.00 C ATOM 763 C ALA A 55 14.835 -1.062 3.601 1.00 0.00 C ATOM 764 O ALA A 55 14.857 -2.067 4.310 1.00 0.00 O ATOM 765 CB ALA A 55 15.215 0.265 5.687 1.00 0.00 C ATOM 0 H ALA A 55 13.447 1.415 4.190 1.00 0.00 H new ATOM 0 HA ALA A 55 16.230 0.534 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.887 -0.519 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.548 1.228 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.205 0.061 6.041 1.00 0.00 H new ATOM 771 N ALA A 56 14.480 -1.087 2.321 1.00 0.00 N ATOM 772 CA ALA A 56 14.089 -2.326 1.660 1.00 0.00 C ATOM 773 C ALA A 56 15.311 -3.153 1.277 1.00 0.00 C ATOM 774 O ALA A 56 16.403 -2.616 1.087 1.00 0.00 O ATOM 775 CB ALA A 56 13.246 -2.025 0.430 1.00 0.00 C ATOM 0 H ALA A 56 14.455 -0.263 1.721 1.00 0.00 H new ATOM 0 HA ALA A 56 13.493 -2.910 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.961 -2.959 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.349 -1.482 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.823 -1.417 -0.267 1.00 0.00 H new ATOM 781 N THR A 57 15.121 -4.464 1.165 1.00 0.00 N ATOM 782 CA THR A 57 16.208 -5.366 0.807 1.00 0.00 C ATOM 783 C THR A 57 16.225 -5.638 -0.693 1.00 0.00 C ATOM 784 O THR A 57 15.307 -5.247 -1.414 1.00 0.00 O ATOM 785 CB THR A 57 16.098 -6.706 1.559 1.00 0.00 C ATOM 786 OG1 THR A 57 16.938 -7.686 0.939 1.00 0.00 O ATOM 787 CG2 THR A 57 14.660 -7.200 1.576 1.00 0.00 C ATOM 0 H THR A 57 14.224 -4.925 1.317 1.00 0.00 H new ATOM 0 HA THR A 57 17.136 -4.872 1.095 1.00 0.00 H new ATOM 0 HB THR A 57 16.423 -6.548 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.864 -8.534 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.607 -8.147 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.029 -6.465 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.312 -7.342 0.553 1.00 0.00 H new ATOM 795 N GLU A 58 17.274 -6.311 -1.157 1.00 0.00 N ATOM 796 CA GLU A 58 17.408 -6.635 -2.572 1.00 0.00 C ATOM 797 C GLU A 58 16.369 -7.670 -2.994 1.00 0.00 C ATOM 798 O GLU A 58 16.091 -7.837 -4.182 1.00 0.00 O ATOM 799 CB GLU A 58 18.815 -7.159 -2.867 1.00 0.00 C ATOM 800 CG GLU A 58 19.833 -6.060 -3.120 1.00 0.00 C ATOM 801 CD GLU A 58 21.252 -6.588 -3.207 1.00 0.00 C ATOM 802 OE1 GLU A 58 21.684 -6.951 -4.321 1.00 0.00 O ATOM 803 OE2 GLU A 58 21.931 -6.639 -2.159 1.00 0.00 O ATOM 0 H GLU A 58 18.042 -6.642 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 58 17.240 -5.723 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.151 -7.767 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.775 -7.813 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.583 -5.545 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.772 -5.322 -2.320 1.00 0.00 H new ATOM 810 N SER A 59 15.799 -8.362 -2.013 1.00 0.00 N ATOM 811 CA SER A 59 14.794 -9.384 -2.282 1.00 0.00 C ATOM 812 C SER A 59 13.421 -8.754 -2.491 1.00 0.00 C ATOM 813 O SER A 59 12.538 -9.350 -3.108 1.00 0.00 O ATOM 814 CB SER A 59 14.737 -10.389 -1.130 1.00 0.00 C ATOM 815 OG SER A 59 13.849 -9.953 -0.116 1.00 0.00 O ATOM 0 H SER A 59 16.016 -8.234 -1.025 1.00 0.00 H new ATOM 0 HA SER A 59 15.078 -9.906 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.416 -11.360 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.734 -10.524 -0.711 1.00 0.00 H new ATOM 0 HG SER A 59 13.829 -10.613 0.608 1.00 0.00 H new ATOM 821 N VAL A 60 13.248 -7.542 -1.972 1.00 0.00 N ATOM 822 CA VAL A 60 11.983 -6.829 -2.101 1.00 0.00 C ATOM 823 C VAL A 60 11.956 -5.983 -3.369 1.00 0.00 C ATOM 824 O VAL A 60 10.955 -5.949 -4.084 1.00 0.00 O ATOM 825 CB VAL A 60 11.725 -5.919 -0.885 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.610 -4.929 -1.186 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.392 -6.754 0.342 1.00 0.00 C ATOM 0 H VAL A 60 13.968 -7.034 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 60 11.198 -7.584 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 60 12.633 -5.353 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.442 -4.295 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.893 -4.310 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.695 -5.472 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.213 -6.096 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.498 -7.347 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.226 -7.418 0.567 1.00 0.00 H new ATOM 837 N ARG A 61 13.064 -5.301 -3.642 1.00 0.00 N ATOM 838 CA ARG A 61 13.167 -4.454 -4.825 1.00 0.00 C ATOM 839 C ARG A 61 13.162 -5.294 -6.098 1.00 0.00 C ATOM 840 O ARG A 61 12.738 -4.831 -7.157 1.00 0.00 O ATOM 841 CB ARG A 61 14.442 -3.610 -4.764 1.00 0.00 C ATOM 842 CG ARG A 61 15.711 -4.433 -4.613 1.00 0.00 C ATOM 843 CD ARG A 61 16.291 -4.815 -5.965 1.00 0.00 C ATOM 844 NE ARG A 61 17.170 -5.979 -5.875 1.00 0.00 N ATOM 845 CZ ARG A 61 18.097 -6.272 -6.780 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.266 -5.490 -7.838 1.00 0.00 N ATOM 847 NH2 ARG A 61 18.857 -7.348 -6.628 1.00 0.00 N ATOM 0 H ARG A 61 13.902 -5.318 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 61 12.301 -3.793 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.514 -3.010 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.368 -2.915 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.449 -3.865 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.495 -5.335 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.479 -5.027 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.848 -3.971 -6.372 1.00 0.00 H new ATOM 0 HE ARG A 61 17.066 -6.601 -5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.683 -4.661 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.979 -5.717 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.730 -7.951 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.569 -7.572 -7.324 1.00 0.00 H new ATOM 861 N ARG A 62 13.634 -6.531 -5.986 1.00 0.00 N ATOM 862 CA ARG A 62 13.685 -7.436 -7.129 1.00 0.00 C ATOM 863 C ARG A 62 12.387 -8.227 -7.254 1.00 0.00 C ATOM 864 O ARG A 62 12.012 -8.658 -8.345 1.00 0.00 O ATOM 865 CB ARG A 62 14.869 -8.396 -6.994 1.00 0.00 C ATOM 866 CG ARG A 62 14.533 -9.675 -6.246 1.00 0.00 C ATOM 867 CD ARG A 62 15.763 -10.550 -6.059 1.00 0.00 C ATOM 868 NE ARG A 62 16.140 -11.235 -7.293 1.00 0.00 N ATOM 869 CZ ARG A 62 16.957 -12.282 -7.332 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.480 -12.761 -6.212 1.00 0.00 N ATOM 871 NH2 ARG A 62 17.253 -12.851 -8.493 1.00 0.00 N ATOM 0 H ARG A 62 13.987 -6.930 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 62 13.813 -6.836 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.234 -8.652 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.682 -7.886 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.109 -9.428 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.771 -10.229 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.596 -9.936 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.568 -11.287 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 62 15.755 -10.891 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.255 -12.326 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.107 -13.565 -6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.853 -12.485 -9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.880 -13.655 -8.522 1.00 0.00 H new ATOM 885 N LEU A 63 11.704 -8.415 -6.130 1.00 0.00 N ATOM 886 CA LEU A 63 10.447 -9.156 -6.113 1.00 0.00 C ATOM 887 C LEU A 63 9.259 -8.216 -6.296 1.00 0.00 C ATOM 888 O LEU A 63 8.167 -8.645 -6.671 1.00 0.00 O ATOM 889 CB LEU A 63 10.304 -9.926 -4.799 1.00 0.00 C ATOM 890 CG LEU A 63 8.929 -10.537 -4.525 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.666 -11.703 -5.465 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.824 -10.985 -3.075 1.00 0.00 C ATOM 0 H LEU A 63 11.999 -8.065 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 63 10.459 -9.863 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.044 -10.726 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.550 -9.253 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 63 8.172 -9.774 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.683 -12.125 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.698 -11.353 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.428 -12.468 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.839 -11.417 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.590 -11.732 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.967 -10.127 -2.418 1.00 0.00 H new ATOM 904 N LEU A 64 9.480 -6.933 -6.032 1.00 0.00 N ATOM 905 CA LEU A 64 8.429 -5.931 -6.170 1.00 0.00 C ATOM 906 C LEU A 64 8.959 -4.677 -6.856 1.00 0.00 C ATOM 907 O LEU A 64 10.118 -4.302 -6.678 1.00 0.00 O ATOM 908 CB LEU A 64 7.856 -5.573 -4.797 1.00 0.00 C ATOM 909 CG LEU A 64 7.419 -6.749 -3.924 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.579 -6.409 -2.451 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.979 -7.134 -4.231 1.00 0.00 C ATOM 0 H LEU A 64 10.378 -6.562 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 64 7.637 -6.353 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.606 -5.000 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.998 -4.917 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 64 8.059 -7.602 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.263 -7.258 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.624 -6.183 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.964 -5.542 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.684 -7.973 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.325 -6.284 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.895 -7.421 -5.279 1.00 0.00 H new ATOM 923 N ARG A 65 8.102 -4.030 -7.639 1.00 0.00 N ATOM 924 CA ARG A 65 8.484 -2.817 -8.351 1.00 0.00 C ATOM 925 C ARG A 65 7.772 -1.598 -7.770 1.00 0.00 C ATOM 926 O ARG A 65 6.626 -1.688 -7.328 1.00 0.00 O ATOM 927 CB ARG A 65 8.157 -2.949 -9.840 1.00 0.00 C ATOM 928 CG ARG A 65 8.766 -1.852 -10.697 1.00 0.00 C ATOM 929 CD ARG A 65 10.211 -2.161 -11.055 1.00 0.00 C ATOM 930 NE ARG A 65 10.907 -0.990 -11.581 1.00 0.00 N ATOM 931 CZ ARG A 65 11.420 -0.034 -10.814 1.00 0.00 C ATOM 932 NH1 ARG A 65 11.315 -0.110 -9.494 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.040 1.001 -11.367 1.00 0.00 N ATOM 0 H ARG A 65 7.139 -4.326 -7.796 1.00 0.00 H new ATOM 0 HA ARG A 65 9.559 -2.680 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.512 -3.916 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.075 -2.939 -9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.181 -1.735 -11.609 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.717 -0.903 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.733 -2.526 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.238 -2.961 -11.795 1.00 0.00 H new ATOM 0 HE ARG A 65 11.005 -0.901 -12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.839 -0.904 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.710 0.625 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.123 1.063 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.433 1.734 -10.777 1.00 0.00 H new ATOM 947 N LEU A 66 8.459 -0.461 -7.774 1.00 0.00 N ATOM 948 CA LEU A 66 7.893 0.776 -7.247 1.00 0.00 C ATOM 949 C LEU A 66 8.297 1.969 -8.106 1.00 0.00 C ATOM 950 O LEU A 66 9.483 2.241 -8.291 1.00 0.00 O ATOM 951 CB LEU A 66 8.350 0.994 -5.803 1.00 0.00 C ATOM 952 CG LEU A 66 8.102 2.388 -5.224 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.652 2.535 -4.790 1.00 0.00 C ATOM 954 CD2 LEU A 66 9.040 2.655 -4.057 1.00 0.00 C ATOM 0 H LEU A 66 9.408 -0.370 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 66 6.807 0.688 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.846 0.264 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.418 0.783 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 66 8.303 3.125 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.494 3.533 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.998 2.388 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.423 1.790 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.849 3.651 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.871 1.913 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.073 2.593 -4.399 1.00 0.00 H new ATOM 966 N ASP A 67 7.303 2.679 -8.628 1.00 0.00 N ATOM 967 CA ASP A 67 7.554 3.846 -9.466 1.00 0.00 C ATOM 968 C ASP A 67 7.537 5.126 -8.635 1.00 0.00 C ATOM 969 O ASP A 67 6.508 5.498 -8.073 1.00 0.00 O ATOM 970 CB ASP A 67 6.511 3.934 -10.581 1.00 0.00 C ATOM 971 CG ASP A 67 7.008 4.722 -11.777 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.596 5.805 -11.572 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.809 4.256 -12.918 1.00 0.00 O ATOM 0 H ASP A 67 6.316 2.467 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 67 8.543 3.736 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.239 2.928 -10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.606 4.401 -10.192 1.00 0.00 H new ATOM 978 N GLU A 68 8.685 5.793 -8.561 1.00 0.00 N ATOM 979 CA GLU A 68 8.801 7.029 -7.797 1.00 0.00 C ATOM 980 C GLU A 68 7.988 8.147 -8.444 1.00 0.00 C ATOM 981 O GLU A 68 7.301 8.907 -7.760 1.00 0.00 O ATOM 982 CB GLU A 68 10.268 7.450 -7.686 1.00 0.00 C ATOM 983 CG GLU A 68 10.466 8.954 -7.611 1.00 0.00 C ATOM 984 CD GLU A 68 11.856 9.337 -7.141 1.00 0.00 C ATOM 985 OE1 GLU A 68 12.279 8.844 -6.075 1.00 0.00 O ATOM 986 OE2 GLU A 68 12.520 10.131 -7.840 1.00 0.00 O ATOM 0 H GLU A 68 9.547 5.498 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 68 8.406 6.847 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.703 6.990 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.814 7.063 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.286 9.390 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.727 9.381 -6.933 1.00 0.00 H new ATOM 993 N THR A 69 8.072 8.243 -9.767 1.00 0.00 N ATOM 994 CA THR A 69 7.346 9.268 -10.507 1.00 0.00 C ATOM 995 C THR A 69 5.851 9.198 -10.220 1.00 0.00 C ATOM 996 O THR A 69 5.273 10.128 -9.657 1.00 0.00 O ATOM 997 CB THR A 69 7.573 9.132 -12.024 1.00 0.00 C ATOM 998 OG1 THR A 69 8.950 8.840 -12.290 1.00 0.00 O ATOM 999 CG2 THR A 69 7.172 10.408 -12.748 1.00 0.00 C ATOM 0 H THR A 69 8.636 7.623 -10.348 1.00 0.00 H new ATOM 0 HA THR A 69 7.732 10.231 -10.174 1.00 0.00 H new ATOM 0 HB THR A 69 6.951 8.315 -12.389 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.085 8.753 -13.257 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.341 10.288 -13.818 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.116 10.612 -12.568 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.770 11.240 -12.377 1.00 0.00 H new ATOM 1007 N SER A 70 5.229 8.090 -10.609 1.00 0.00 N ATOM 1008 CA SER A 70 3.799 7.900 -10.396 1.00 0.00 C ATOM 1009 C SER A 70 3.503 7.600 -8.930 1.00 0.00 C ATOM 1010 O SER A 70 2.565 8.145 -8.350 1.00 0.00 O ATOM 1011 CB SER A 70 3.277 6.763 -11.276 1.00 0.00 C ATOM 1012 OG SER A 70 3.767 5.509 -10.834 1.00 0.00 O ATOM 0 H SER A 70 5.693 7.310 -11.074 1.00 0.00 H new ATOM 0 HA SER A 70 3.291 8.824 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.187 6.757 -11.259 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.579 6.931 -12.310 1.00 0.00 H new ATOM 0 HG SER A 70 4.187 5.039 -11.584 1.00 0.00 H new ATOM 1018 N GLY A 71 4.313 6.728 -8.336 1.00 0.00 N ATOM 1019 CA GLY A 71 4.122 6.369 -6.942 1.00 0.00 C ATOM 1020 C GLY A 71 3.272 5.125 -6.775 1.00 0.00 C ATOM 1021 O GLY A 71 2.560 4.981 -5.781 1.00 0.00 O ATOM 0 H GLY A 71 5.097 6.264 -8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.094 6.207 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.651 7.200 -6.417 1.00 0.00 H new ATOM 1025 N TRP A 72 3.346 4.225 -7.749 1.00 0.00 N ATOM 1026 CA TRP A 72 2.575 2.988 -7.705 1.00 0.00 C ATOM 1027 C TRP A 72 3.443 1.823 -7.241 1.00 0.00 C ATOM 1028 O TRP A 72 4.652 1.804 -7.476 1.00 0.00 O ATOM 1029 CB TRP A 72 1.984 2.682 -9.083 1.00 0.00 C ATOM 1030 CG TRP A 72 0.627 3.283 -9.293 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.341 4.461 -9.920 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.627 2.734 -8.873 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.016 4.678 -9.916 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.632 3.633 -9.281 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -0.999 1.570 -8.195 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -2.982 3.403 -9.030 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.340 1.343 -7.947 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.318 2.255 -8.364 1.00 0.00 C ATOM 0 H TRP A 72 3.931 4.328 -8.578 1.00 0.00 H new ATOM 0 HA TRP A 72 1.763 3.120 -6.990 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.661 3.054 -9.852 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.919 1.601 -9.211 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.073 5.125 -10.355 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.488 5.487 -10.321 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.252 0.860 -7.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.738 4.105 -9.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.639 0.447 -7.423 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.357 2.049 -8.156 1.00 0.00 H new ATOM 1049 N LEU A 73 2.819 0.853 -6.582 1.00 0.00 N ATOM 1050 CA LEU A 73 3.535 -0.317 -6.084 1.00 0.00 C ATOM 1051 C LEU A 73 2.875 -1.605 -6.568 1.00 0.00 C ATOM 1052 O LEU A 73 1.729 -1.894 -6.226 1.00 0.00 O ATOM 1053 CB LEU A 73 3.582 -0.298 -4.555 1.00 0.00 C ATOM 1054 CG LEU A 73 4.826 -0.915 -3.915 1.00 0.00 C ATOM 1055 CD1 LEU A 73 4.870 -0.606 -2.427 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.858 -2.418 -4.151 1.00 0.00 C ATOM 0 H LEU A 73 1.819 0.853 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 73 4.553 -0.283 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.501 0.737 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.705 -0.824 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 73 5.707 -0.475 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.762 -1.053 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.896 0.474 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.984 -1.017 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.750 -2.840 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.971 -2.874 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.876 -2.618 -5.222 1.00 0.00 H new ATOM 1068 N SER A 74 3.609 -2.376 -7.364 1.00 0.00 N ATOM 1069 CA SER A 74 3.095 -3.633 -7.896 1.00 0.00 C ATOM 1070 C SER A 74 4.173 -4.713 -7.874 1.00 0.00 C ATOM 1071 O SER A 74 5.354 -4.424 -7.679 1.00 0.00 O ATOM 1072 CB SER A 74 2.583 -3.435 -9.324 1.00 0.00 C ATOM 1073 OG SER A 74 3.655 -3.211 -10.223 1.00 0.00 O ATOM 0 H SER A 74 4.561 -2.153 -7.655 1.00 0.00 H new ATOM 0 HA SER A 74 2.268 -3.957 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.019 -4.314 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.896 -2.589 -9.354 1.00 0.00 H new ATOM 0 HG SER A 74 3.302 -3.089 -11.129 1.00 0.00 H new ATOM 1079 N VAL A 75 3.757 -5.959 -8.077 1.00 0.00 N ATOM 1080 CA VAL A 75 4.686 -7.083 -8.082 1.00 0.00 C ATOM 1081 C VAL A 75 5.581 -7.051 -9.316 1.00 0.00 C ATOM 1082 O VAL A 75 5.147 -6.660 -10.400 1.00 0.00 O ATOM 1083 CB VAL A 75 3.937 -8.429 -8.039 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.921 -9.589 -8.080 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.057 -8.509 -6.801 1.00 0.00 C ATOM 0 H VAL A 75 2.783 -6.216 -8.240 1.00 0.00 H new ATOM 0 HA VAL A 75 5.302 -6.989 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 75 3.296 -8.497 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.374 -10.531 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.505 -9.539 -8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.590 -9.529 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.535 -9.466 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.676 -8.420 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.328 -7.699 -6.820 1.00 0.00 H new ATOM 1095 N LEU A 76 6.831 -7.466 -9.144 1.00 0.00 N ATOM 1096 CA LEU A 76 7.788 -7.485 -10.244 1.00 0.00 C ATOM 1097 C LEU A 76 8.051 -8.913 -10.712 1.00 0.00 C ATOM 1098 O LEU A 76 8.137 -9.178 -11.912 1.00 0.00 O ATOM 1099 CB LEU A 76 9.101 -6.828 -9.815 1.00 0.00 C ATOM 1100 CG LEU A 76 10.130 -6.596 -10.923 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.547 -5.715 -12.016 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.397 -5.976 -10.353 1.00 0.00 C ATOM 0 H LEU A 76 7.205 -7.794 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 76 7.361 -6.922 -11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.870 -5.867 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.560 -7.448 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 76 10.388 -7.560 -11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.293 -5.561 -12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.669 -6.199 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.260 -4.752 -11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.118 -5.818 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.157 -5.020 -9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.826 -6.645 -9.607 1.00 0.00 H new ATOM 1114 N HIS A 77 8.175 -9.830 -9.758 1.00 0.00 N ATOM 1115 CA HIS A 77 8.424 -11.232 -10.073 1.00 0.00 C ATOM 1116 C HIS A 77 7.436 -12.137 -9.343 1.00 0.00 C ATOM 1117 O HIS A 77 6.844 -11.743 -8.338 1.00 0.00 O ATOM 1118 CB HIS A 77 9.857 -11.614 -9.698 1.00 0.00 C ATOM 1119 CG HIS A 77 10.852 -11.346 -10.784 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.604 -11.611 -12.114 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.103 -10.831 -10.731 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.660 -11.272 -12.832 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.584 -10.796 -12.017 1.00 0.00 N ATOM 0 H HIS A 77 8.107 -9.627 -8.761 1.00 0.00 H new ATOM 0 HA HIS A 77 8.289 -11.367 -11.146 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.149 -11.062 -8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.887 -12.673 -9.443 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.625 -10.508 -9.843 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.752 -11.368 -13.904 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.505 -10.458 -12.297 1.00 0.00 H new ATOM 1132 N ARG A 78 7.263 -13.351 -9.856 1.00 0.00 N ATOM 1133 CA ARG A 78 6.345 -14.311 -9.254 1.00 0.00 C ATOM 1134 C ARG A 78 6.713 -14.575 -7.797 1.00 0.00 C ATOM 1135 O ARG A 78 7.891 -14.686 -7.454 1.00 0.00 O ATOM 1136 CB ARG A 78 6.358 -15.623 -10.040 1.00 0.00 C ATOM 1137 CG ARG A 78 5.651 -15.535 -11.382 1.00 0.00 C ATOM 1138 CD ARG A 78 6.133 -16.616 -12.337 1.00 0.00 C ATOM 1139 NE ARG A 78 7.565 -16.513 -12.603 1.00 0.00 N ATOM 1140 CZ ARG A 78 8.174 -17.145 -13.600 1.00 0.00 C ATOM 1141 NH1 ARG A 78 7.480 -17.921 -14.421 1.00 0.00 N ATOM 1142 NH2 ARG A 78 9.481 -17.000 -13.778 1.00 0.00 N ATOM 0 H ARG A 78 7.746 -13.693 -10.687 1.00 0.00 H new ATOM 0 HA ARG A 78 5.342 -13.886 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.391 -15.929 -10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.886 -16.401 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.575 -15.631 -11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.826 -14.554 -11.823 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.912 -17.597 -11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.584 -16.542 -13.276 1.00 0.00 H new ATOM 0 HE ARG A 78 8.128 -15.924 -11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.475 -18.034 -14.288 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.951 -18.405 -15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.018 -16.403 -13.149 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.948 -17.485 -14.544 1.00 0.00 H new ATOM 1156 N ILE A 79 5.699 -14.673 -6.944 1.00 0.00 N ATOM 1157 CA ILE A 79 5.916 -14.924 -5.525 1.00 0.00 C ATOM 1158 C ILE A 79 5.490 -16.338 -5.145 1.00 0.00 C ATOM 1159 O ILE A 79 4.441 -16.818 -5.576 1.00 0.00 O ATOM 1160 CB ILE A 79 5.147 -13.916 -4.651 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.605 -12.489 -4.956 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.342 -14.237 -3.176 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.563 -11.439 -4.640 1.00 0.00 C ATOM 0 H ILE A 79 4.719 -14.582 -7.211 1.00 0.00 H new ATOM 0 HA ILE A 79 6.985 -14.808 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 79 4.085 -13.993 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.508 -12.276 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.871 -12.419 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.792 -13.516 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.971 -15.241 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.402 -14.184 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.957 -10.452 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.667 -11.627 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.314 -11.481 -3.580 1.00 0.00 H new ATOM 1175 N ASP A 80 6.309 -17.000 -4.336 1.00 0.00 N ATOM 1176 CA ASP A 80 6.016 -18.359 -3.895 1.00 0.00 C ATOM 1177 C ASP A 80 5.831 -18.412 -2.382 1.00 0.00 C ATOM 1178 O ASP A 80 6.799 -18.325 -1.625 1.00 0.00 O ATOM 1179 CB ASP A 80 7.138 -19.308 -4.318 1.00 0.00 C ATOM 1180 CG ASP A 80 6.641 -20.720 -4.559 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.745 -20.896 -5.410 1.00 0.00 O ATOM 1182 OD2 ASP A 80 7.148 -21.649 -3.896 1.00 0.00 O ATOM 0 H ASP A 80 7.182 -16.618 -3.972 1.00 0.00 H new ATOM 0 HA ASP A 80 5.086 -18.675 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.606 -18.930 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.907 -19.323 -3.546 1.00 0.00 H new ATOM 1187 N ARG A 81 4.583 -18.553 -1.947 1.00 0.00 N ATOM 1188 CA ARG A 81 4.272 -18.614 -0.524 1.00 0.00 C ATOM 1189 C ARG A 81 5.364 -19.358 0.240 1.00 0.00 C ATOM 1190 O ARG A 81 5.662 -19.033 1.388 1.00 0.00 O ATOM 1191 CB ARG A 81 2.923 -19.301 -0.305 1.00 0.00 C ATOM 1192 CG ARG A 81 2.418 -19.209 1.126 1.00 0.00 C ATOM 1193 CD ARG A 81 2.959 -20.344 1.982 1.00 0.00 C ATOM 1194 NE ARG A 81 2.082 -21.512 1.959 1.00 0.00 N ATOM 1195 CZ ARG A 81 2.051 -22.426 2.923 1.00 0.00 C ATOM 1196 NH1 ARG A 81 2.842 -22.307 3.980 1.00 0.00 N ATOM 1197 NH2 ARG A 81 1.226 -23.461 2.830 1.00 0.00 N ATOM 0 H ARG A 81 3.771 -18.627 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 81 4.219 -17.593 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.185 -18.854 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.010 -20.351 -0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.715 -18.253 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.328 -19.236 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.949 -20.627 1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.077 -19.999 3.009 1.00 0.00 H new ATOM 0 HE ARG A 81 1.460 -21.632 1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.477 -21.512 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.816 -23.010 4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.615 -23.555 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.202 -24.162 3.570 1.00 0.00 H new ATOM 1211 N GLU A 82 5.956 -20.358 -0.407 1.00 0.00 N ATOM 1212 CA GLU A 82 7.013 -21.148 0.212 1.00 0.00 C ATOM 1213 C GLU A 82 8.267 -20.305 0.426 1.00 0.00 C ATOM 1214 O GLU A 82 8.869 -20.331 1.500 1.00 0.00 O ATOM 1215 CB GLU A 82 7.345 -22.365 -0.654 1.00 0.00 C ATOM 1216 CG GLU A 82 8.604 -23.096 -0.220 1.00 0.00 C ATOM 1217 CD GLU A 82 8.736 -23.185 1.288 1.00 0.00 C ATOM 1218 OE1 GLU A 82 7.761 -23.603 1.946 1.00 0.00 O ATOM 1219 OE2 GLU A 82 9.816 -22.838 1.810 1.00 0.00 O ATOM 0 H GLU A 82 5.721 -20.639 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 82 6.655 -21.490 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.505 -23.059 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.460 -22.043 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.599 -24.102 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.476 -22.584 -0.628 1.00 0.00 H new ATOM 1226 N GLU A 83 8.656 -19.560 -0.604 1.00 0.00 N ATOM 1227 CA GLU A 83 9.839 -18.711 -0.528 1.00 0.00 C ATOM 1228 C GLU A 83 9.616 -17.552 0.439 1.00 0.00 C ATOM 1229 O GLU A 83 10.558 -17.054 1.056 1.00 0.00 O ATOM 1230 CB GLU A 83 10.195 -18.171 -1.915 1.00 0.00 C ATOM 1231 CG GLU A 83 9.265 -17.070 -2.397 1.00 0.00 C ATOM 1232 CD GLU A 83 9.937 -16.124 -3.373 1.00 0.00 C ATOM 1233 OE1 GLU A 83 11.151 -15.875 -3.219 1.00 0.00 O ATOM 1234 OE2 GLU A 83 9.248 -15.633 -4.292 1.00 0.00 O ATOM 0 H GLU A 83 8.170 -19.527 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 83 10.666 -19.316 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.216 -17.790 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.174 -18.992 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.393 -17.519 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.903 -16.504 -1.539 1.00 0.00 H new ATOM 1241 N VAL A 84 8.363 -17.127 0.567 1.00 0.00 N ATOM 1242 CA VAL A 84 8.016 -16.028 1.459 1.00 0.00 C ATOM 1243 C VAL A 84 6.605 -16.194 2.012 1.00 0.00 C ATOM 1244 O VAL A 84 5.647 -16.358 1.258 1.00 0.00 O ATOM 1245 CB VAL A 84 8.116 -14.669 0.741 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.555 -14.383 0.338 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.198 -14.638 -0.471 1.00 0.00 C ATOM 0 H VAL A 84 7.571 -17.528 0.064 1.00 0.00 H new ATOM 0 HA VAL A 84 8.731 -16.050 2.281 1.00 0.00 H new ATOM 0 HB VAL A 84 7.795 -13.889 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.606 -13.419 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.184 -14.360 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.907 -15.165 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.282 -13.671 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.486 -15.427 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.168 -14.794 -0.151 1.00 0.00 H new ATOM 1257 N ASN A 85 6.485 -16.151 3.336 1.00 0.00 N ATOM 1258 CA ASN A 85 5.191 -16.297 3.991 1.00 0.00 C ATOM 1259 C ASN A 85 4.570 -14.934 4.280 1.00 0.00 C ATOM 1260 O ASN A 85 3.348 -14.793 4.319 1.00 0.00 O ATOM 1261 CB ASN A 85 5.341 -17.087 5.293 1.00 0.00 C ATOM 1262 CG ASN A 85 6.588 -16.700 6.063 1.00 0.00 C ATOM 1263 OD1 ASN A 85 6.856 -15.518 6.280 1.00 0.00 O ATOM 1264 ND2 ASN A 85 7.359 -17.698 6.481 1.00 0.00 N ATOM 0 H ASN A 85 7.268 -16.016 3.975 1.00 0.00 H new ATOM 0 HA ASN A 85 4.531 -16.842 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.464 -16.920 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.373 -18.153 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.212 -17.499 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.098 -18.663 6.279 1.00 0.00 H new ATOM 1271 N GLN A 86 5.421 -13.933 4.480 1.00 0.00 N ATOM 1272 CA GLN A 86 4.956 -12.581 4.765 1.00 0.00 C ATOM 1273 C GLN A 86 6.061 -11.560 4.512 1.00 0.00 C ATOM 1274 O GLN A 86 7.033 -11.483 5.264 1.00 0.00 O ATOM 1275 CB GLN A 86 4.474 -12.479 6.213 1.00 0.00 C ATOM 1276 CG GLN A 86 3.971 -11.095 6.591 1.00 0.00 C ATOM 1277 CD GLN A 86 3.258 -11.078 7.929 1.00 0.00 C ATOM 1278 OE1 GLN A 86 3.397 -12.002 8.731 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.488 -10.025 8.177 1.00 0.00 N ATOM 0 H GLN A 86 6.436 -14.033 4.450 1.00 0.00 H new ATOM 0 HA GLN A 86 4.124 -12.362 4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.675 -13.203 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.292 -12.754 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.813 -10.403 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.292 -10.735 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.402 -9.282 7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.983 -9.959 9.061 1.00 0.00 H new ATOM 1288 N LEU A 87 5.905 -10.779 3.449 1.00 0.00 N ATOM 1289 CA LEU A 87 6.890 -9.762 3.096 1.00 0.00 C ATOM 1290 C LEU A 87 6.822 -8.581 4.058 1.00 0.00 C ATOM 1291 O LEU A 87 5.791 -8.336 4.684 1.00 0.00 O ATOM 1292 CB LEU A 87 6.663 -9.280 1.662 1.00 0.00 C ATOM 1293 CG LEU A 87 6.832 -10.332 0.565 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.299 -9.811 -0.761 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.293 -10.736 0.434 1.00 0.00 C ATOM 0 H LEU A 87 5.106 -10.830 2.817 1.00 0.00 H new ATOM 0 HA LEU A 87 7.881 -10.210 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.655 -8.871 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.354 -8.461 1.462 1.00 0.00 H new ATOM 0 HG LEU A 87 6.256 -11.215 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.428 -10.573 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.240 -9.573 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.847 -8.913 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.394 -11.485 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.891 -9.861 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.642 -11.152 1.379 1.00 0.00 H new ATOM 1307 N ARG A 88 7.927 -7.851 4.170 1.00 0.00 N ATOM 1308 CA ARG A 88 7.993 -6.695 5.056 1.00 0.00 C ATOM 1309 C ARG A 88 9.136 -5.767 4.654 1.00 0.00 C ATOM 1310 O ARG A 88 10.302 -6.162 4.661 1.00 0.00 O ATOM 1311 CB ARG A 88 8.174 -7.146 6.506 1.00 0.00 C ATOM 1312 CG ARG A 88 7.559 -6.196 7.521 1.00 0.00 C ATOM 1313 CD ARG A 88 8.060 -6.483 8.927 1.00 0.00 C ATOM 1314 NE ARG A 88 9.264 -5.719 9.246 1.00 0.00 N ATOM 1315 CZ ARG A 88 10.068 -6.006 10.264 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.798 -7.033 11.057 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.144 -5.264 10.489 1.00 0.00 N ATOM 0 H ARG A 88 8.789 -8.040 3.658 1.00 0.00 H new ATOM 0 HA ARG A 88 7.055 -6.147 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.729 -8.133 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.239 -7.248 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.799 -5.168 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.473 -6.287 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.277 -6.243 9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.269 -7.548 9.027 1.00 0.00 H new ATOM 0 HE ARG A 88 9.500 -4.922 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.971 -7.605 10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.417 -7.251 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.354 -4.473 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.761 -5.484 11.271 1.00 0.00 H new ATOM 1331 N PHE A 89 8.793 -4.532 4.304 1.00 0.00 N ATOM 1332 CA PHE A 89 9.789 -3.548 3.897 1.00 0.00 C ATOM 1333 C PHE A 89 9.352 -2.138 4.286 1.00 0.00 C ATOM 1334 O PHE A 89 8.320 -1.951 4.931 1.00 0.00 O ATOM 1335 CB PHE A 89 10.025 -3.622 2.387 1.00 0.00 C ATOM 1336 CG PHE A 89 8.771 -3.458 1.576 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.306 -2.196 1.244 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.058 -4.565 1.147 1.00 0.00 C ATOM 1339 CE1 PHE A 89 7.153 -2.041 0.498 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.905 -4.417 0.400 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.451 -3.153 0.076 1.00 0.00 C ATOM 0 H PHE A 89 7.833 -4.189 4.294 1.00 0.00 H new ATOM 0 HA PHE A 89 10.721 -3.777 4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.737 -2.849 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.482 -4.582 2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.851 -1.323 1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.407 -5.555 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.801 -1.052 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.359 -5.289 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.549 -3.035 -0.506 1.00 0.00 H new ATOM 1351 N THR A 90 10.146 -1.148 3.890 1.00 0.00 N ATOM 1352 CA THR A 90 9.843 0.244 4.197 1.00 0.00 C ATOM 1353 C THR A 90 9.979 1.123 2.959 1.00 0.00 C ATOM 1354 O THR A 90 10.817 0.867 2.093 1.00 0.00 O ATOM 1355 CB THR A 90 10.766 0.788 5.303 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.937 -0.197 6.328 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.195 2.062 5.907 1.00 0.00 C ATOM 0 H THR A 90 11.004 -1.285 3.356 1.00 0.00 H new ATOM 0 HA THR A 90 8.811 0.273 4.547 1.00 0.00 H new ATOM 0 HB THR A 90 11.733 1.018 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.527 0.157 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.864 2.427 6.686 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.095 2.820 5.130 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.216 1.853 6.339 1.00 0.00 H new ATOM 1365 N VAL A 91 9.151 2.159 2.881 1.00 0.00 N ATOM 1366 CA VAL A 91 9.181 3.078 1.748 1.00 0.00 C ATOM 1367 C VAL A 91 9.485 4.501 2.203 1.00 0.00 C ATOM 1368 O VAL A 91 9.164 4.886 3.327 1.00 0.00 O ATOM 1369 CB VAL A 91 7.844 3.069 0.984 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.592 1.703 0.364 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.700 3.464 1.907 1.00 0.00 C ATOM 0 H VAL A 91 8.451 2.384 3.588 1.00 0.00 H new ATOM 0 HA VAL A 91 9.974 2.736 1.083 1.00 0.00 H new ATOM 0 HB VAL A 91 7.901 3.802 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.643 1.716 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.397 1.465 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.555 0.948 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.763 3.452 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.639 2.757 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.877 4.466 2.298 1.00 0.00 H new ATOM 1381 N MET A 92 10.105 5.278 1.321 1.00 0.00 N ATOM 1382 CA MET A 92 10.451 6.660 1.632 1.00 0.00 C ATOM 1383 C MET A 92 9.841 7.615 0.611 1.00 0.00 C ATOM 1384 O MET A 92 9.318 7.188 -0.417 1.00 0.00 O ATOM 1385 CB MET A 92 11.971 6.833 1.665 1.00 0.00 C ATOM 1386 CG MET A 92 12.602 6.417 2.984 1.00 0.00 C ATOM 1387 SD MET A 92 14.235 7.140 3.232 1.00 0.00 S ATOM 1388 CE MET A 92 15.020 6.744 1.672 1.00 0.00 C ATOM 0 H MET A 92 10.378 4.975 0.386 1.00 0.00 H new ATOM 0 HA MET A 92 10.044 6.898 2.615 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.413 6.246 0.859 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.214 7.877 1.469 1.00 0.00 H new ATOM 0 HG2 MET A 92 11.949 6.715 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.681 5.330 3.018 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.031 6.379 1.855 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.444 5.974 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.064 7.638 1.050 1.00 0.00 H new ATOM 1398 N ALA A 93 9.913 8.910 0.902 1.00 0.00 N ATOM 1399 CA ALA A 93 9.369 9.925 0.009 1.00 0.00 C ATOM 1400 C ALA A 93 10.128 11.241 0.146 1.00 0.00 C ATOM 1401 O ALA A 93 10.167 11.836 1.223 1.00 0.00 O ATOM 1402 CB ALA A 93 7.888 10.137 0.289 1.00 0.00 C ATOM 0 H ALA A 93 10.343 9.281 1.750 1.00 0.00 H new ATOM 0 HA ALA A 93 9.487 9.572 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.495 10.898 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.351 9.202 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.756 10.464 1.320 1.00 0.00 H new ATOM 1408 N ARG A 94 10.731 11.688 -0.951 1.00 0.00 N ATOM 1409 CA ARG A 94 11.491 12.932 -0.952 1.00 0.00 C ATOM 1410 C ARG A 94 10.620 14.100 -1.406 1.00 0.00 C ATOM 1411 O ARG A 94 9.541 13.903 -1.964 1.00 0.00 O ATOM 1412 CB ARG A 94 12.712 12.807 -1.865 1.00 0.00 C ATOM 1413 CG ARG A 94 13.452 11.488 -1.715 1.00 0.00 C ATOM 1414 CD ARG A 94 14.721 11.463 -2.553 1.00 0.00 C ATOM 1415 NE ARG A 94 14.431 11.405 -3.983 1.00 0.00 N ATOM 1416 CZ ARG A 94 14.207 12.480 -4.732 1.00 0.00 C ATOM 1417 NH1 ARG A 94 14.240 13.689 -4.188 1.00 0.00 N ATOM 1418 NH2 ARG A 94 13.950 12.346 -6.026 1.00 0.00 N ATOM 0 H ARG A 94 10.708 11.207 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 94 11.826 13.126 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.393 12.919 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.399 13.626 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.704 11.328 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.800 10.668 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.314 12.352 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.325 10.601 -2.270 1.00 0.00 H new ATOM 0 HE ARG A 94 14.399 10.490 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.438 13.795 -3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.068 14.513 -4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.924 11.417 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.778 13.171 -6.600 1.00 0.00 H new ATOM 1520 N LYS A 101 13.523 15.964 2.990 1.00 0.00 N ATOM 1521 CA LYS A 101 12.889 15.221 4.072 1.00 0.00 C ATOM 1522 C LYS A 101 12.301 13.910 3.560 1.00 0.00 C ATOM 1523 O LYS A 101 11.409 13.907 2.711 1.00 0.00 O ATOM 1524 CB LYS A 101 11.791 16.064 4.724 1.00 0.00 C ATOM 1525 CG LYS A 101 11.328 15.529 6.068 1.00 0.00 C ATOM 1526 CD LYS A 101 12.368 15.766 7.150 1.00 0.00 C ATOM 1527 CE LYS A 101 12.065 14.954 8.400 1.00 0.00 C ATOM 1528 NZ LYS A 101 12.406 13.516 8.224 1.00 0.00 N ATOM 0 HA LYS A 101 13.652 14.991 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.156 17.083 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.936 16.116 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.392 16.011 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.124 14.461 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.355 15.500 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.398 16.826 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.627 15.360 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.008 15.049 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.297 13.020 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.769 13.092 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.390 13.430 7.898 1.00 0.00 H new ATOM 1542 N THR A 102 12.805 12.796 4.082 1.00 0.00 N ATOM 1543 CA THR A 102 12.329 11.479 3.678 1.00 0.00 C ATOM 1544 C THR A 102 11.502 10.830 4.782 1.00 0.00 C ATOM 1545 O THR A 102 12.019 10.517 5.855 1.00 0.00 O ATOM 1546 CB THR A 102 13.500 10.546 3.314 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.523 10.632 4.312 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.078 10.909 1.954 1.00 0.00 C ATOM 0 H THR A 102 13.543 12.780 4.786 1.00 0.00 H new ATOM 0 HA THR A 102 11.703 11.626 2.798 1.00 0.00 H new ATOM 0 HB THR A 102 13.122 9.525 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.111 10.662 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.903 10.237 1.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.304 10.814 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.442 11.936 1.976 1.00 0.00 H new ATOM 1556 N ASP A 103 10.217 10.630 4.512 1.00 0.00 N ATOM 1557 CA ASP A 103 9.318 10.016 5.483 1.00 0.00 C ATOM 1558 C ASP A 103 9.199 8.515 5.240 1.00 0.00 C ATOM 1559 O ASP A 103 8.626 8.080 4.241 1.00 0.00 O ATOM 1560 CB ASP A 103 7.936 10.668 5.414 1.00 0.00 C ATOM 1561 CG ASP A 103 7.276 10.482 4.062 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.520 11.313 3.162 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.515 9.505 3.903 1.00 0.00 O ATOM 0 H ASP A 103 9.774 10.884 3.629 1.00 0.00 H new ATOM 0 HA ASP A 103 9.736 10.173 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.298 10.243 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.029 11.733 5.627 1.00 0.00 H new ATOM 1568 N LYS A 104 9.746 7.727 6.159 1.00 0.00 N ATOM 1569 CA LYS A 104 9.701 6.274 6.046 1.00 0.00 C ATOM 1570 C LYS A 104 8.299 5.748 6.335 1.00 0.00 C ATOM 1571 O LYS A 104 7.514 6.395 7.029 1.00 0.00 O ATOM 1572 CB LYS A 104 10.705 5.636 7.010 1.00 0.00 C ATOM 1573 CG LYS A 104 12.083 5.432 6.405 1.00 0.00 C ATOM 1574 CD LYS A 104 13.109 5.066 7.465 1.00 0.00 C ATOM 1575 CE LYS A 104 14.523 5.382 7.005 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.479 5.434 8.145 1.00 0.00 N ATOM 0 H LYS A 104 10.226 8.070 6.991 1.00 0.00 H new ATOM 0 HA LYS A 104 9.966 6.006 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.796 6.265 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.317 4.673 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.038 4.644 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.395 6.343 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.894 5.611 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.030 4.004 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.850 4.626 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.529 6.338 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.432 5.652 7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.182 6.173 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.492 4.514 8.629 1.00 0.00 H new ATOM 1590 N ALA A 105 7.991 4.571 5.800 1.00 0.00 N ATOM 1591 CA ALA A 105 6.685 3.958 6.003 1.00 0.00 C ATOM 1592 C ALA A 105 6.752 2.447 5.811 1.00 0.00 C ATOM 1593 O ALA A 105 7.157 1.962 4.754 1.00 0.00 O ATOM 1594 CB ALA A 105 5.662 4.567 5.056 1.00 0.00 C ATOM 0 H ALA A 105 8.629 4.023 5.223 1.00 0.00 H new ATOM 0 HA ALA A 105 6.375 4.155 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.691 4.099 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.585 5.638 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.976 4.401 4.026 1.00 0.00 H new ATOM 1600 N THR A 106 6.353 1.705 6.840 1.00 0.00 N ATOM 1601 CA THR A 106 6.369 0.249 6.785 1.00 0.00 C ATOM 1602 C THR A 106 5.216 -0.283 5.941 1.00 0.00 C ATOM 1603 O THR A 106 4.089 0.203 6.036 1.00 0.00 O ATOM 1604 CB THR A 106 6.287 -0.368 8.194 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.371 0.106 9.000 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.326 -1.887 8.123 1.00 0.00 C ATOM 0 H THR A 106 6.015 2.090 7.722 1.00 0.00 H new ATOM 0 HA THR A 106 7.314 -0.039 6.325 1.00 0.00 H new ATOM 0 HB THR A 106 5.341 -0.066 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.311 -0.289 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.267 -2.300 9.130 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.482 -2.245 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.257 -2.206 7.654 1.00 0.00 H new ATOM 1614 N VAL A 107 5.505 -1.284 5.116 1.00 0.00 N ATOM 1615 CA VAL A 107 4.491 -1.883 4.256 1.00 0.00 C ATOM 1616 C VAL A 107 4.376 -3.383 4.506 1.00 0.00 C ATOM 1617 O VAL A 107 5.241 -4.159 4.099 1.00 0.00 O ATOM 1618 CB VAL A 107 4.805 -1.644 2.767 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.772 -2.332 1.887 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.864 -0.153 2.469 1.00 0.00 C ATOM 0 H VAL A 107 6.433 -1.697 5.025 1.00 0.00 H new ATOM 0 HA VAL A 107 3.544 -1.403 4.501 1.00 0.00 H new ATOM 0 HB VAL A 107 5.781 -2.075 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.010 -2.152 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.783 -3.404 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.782 -1.933 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.087 -0.002 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.903 0.304 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.644 0.308 3.074 1.00 0.00 H new ATOM 1630 N VAL A 108 3.302 -3.785 5.177 1.00 0.00 N ATOM 1631 CA VAL A 108 3.071 -5.192 5.480 1.00 0.00 C ATOM 1632 C VAL A 108 2.199 -5.848 4.415 1.00 0.00 C ATOM 1633 O VAL A 108 1.027 -5.504 4.259 1.00 0.00 O ATOM 1634 CB VAL A 108 2.402 -5.368 6.856 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.156 -6.841 7.145 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.254 -4.737 7.947 1.00 0.00 C ATOM 0 H VAL A 108 2.577 -3.155 5.522 1.00 0.00 H new ATOM 0 HA VAL A 108 4.047 -5.676 5.495 1.00 0.00 H new ATOM 0 HB VAL A 108 1.438 -4.859 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.683 -6.946 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.503 -7.258 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.106 -7.376 7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.766 -4.871 8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.233 -5.215 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.374 -3.673 7.745 1.00 0.00 H new ATOM 1646 N LEU A 109 2.779 -6.794 3.684 1.00 0.00 N ATOM 1647 CA LEU A 109 2.054 -7.499 2.632 1.00 0.00 C ATOM 1648 C LEU A 109 1.839 -8.962 3.007 1.00 0.00 C ATOM 1649 O LEU A 109 2.778 -9.758 3.006 1.00 0.00 O ATOM 1650 CB LEU A 109 2.816 -7.406 1.310 1.00 0.00 C ATOM 1651 CG LEU A 109 3.122 -5.994 0.809 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.909 -6.047 -0.491 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.835 -5.204 0.623 1.00 0.00 C ATOM 0 H LEU A 109 3.748 -7.090 3.800 1.00 0.00 H new ATOM 0 HA LEU A 109 1.079 -7.025 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.758 -7.944 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.239 -7.925 0.544 1.00 0.00 H new ATOM 0 HG LEU A 109 3.731 -5.488 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.117 -5.033 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.848 -6.575 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.326 -6.572 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.072 -4.202 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.201 -5.708 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.309 -5.135 1.575 1.00 0.00 H new ATOM 1665 N ASN A 110 0.596 -9.310 3.325 1.00 0.00 N ATOM 1666 CA ASN A 110 0.258 -10.678 3.699 1.00 0.00 C ATOM 1667 C ASN A 110 0.186 -11.577 2.469 1.00 0.00 C ATOM 1668 O ASN A 110 -0.457 -11.236 1.475 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.077 -10.709 4.446 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.915 -10.444 5.931 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.865 -11.373 6.737 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.833 -9.171 6.299 1.00 0.00 N ATOM 0 H ASN A 110 -0.193 -8.664 3.331 1.00 0.00 H new ATOM 0 HA ASN A 110 1.043 -11.053 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.747 -9.964 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.548 -11.681 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.724 -8.931 7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.879 -8.433 5.596 1.00 0.00 H new ATOM 1679 N ILE A 111 0.848 -12.727 2.543 1.00 0.00 N ATOM 1680 CA ILE A 111 0.858 -13.675 1.437 1.00 0.00 C ATOM 1681 C ILE A 111 -0.373 -14.575 1.474 1.00 0.00 C ATOM 1682 O ILE A 111 -0.328 -15.686 2.003 1.00 0.00 O ATOM 1683 CB ILE A 111 2.123 -14.553 1.458 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.377 -13.680 1.396 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.101 -15.542 0.302 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.383 -12.712 0.234 1.00 0.00 C ATOM 0 H ILE A 111 1.384 -13.024 3.358 1.00 0.00 H new ATOM 0 HA ILE A 111 0.849 -13.088 0.519 1.00 0.00 H new ATOM 0 HB ILE A 111 2.141 -15.116 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.465 -13.119 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.254 -14.323 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.002 -16.155 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.223 -16.182 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.062 -14.998 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.302 -12.126 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.326 -13.267 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.525 -12.044 0.312 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.472 -14.090 0.906 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.715 -14.850 0.871 1.00 0.00 C ATOM 1700 C LYS A 112 -2.601 -16.035 -0.084 1.00 0.00 C ATOM 1701 O LYS A 112 -1.574 -16.221 -0.737 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.876 -13.949 0.445 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.206 -12.864 1.456 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.823 -13.445 2.716 1.00 0.00 C ATOM 1705 CE LYS A 112 -3.774 -13.684 3.791 1.00 0.00 C ATOM 1706 NZ LYS A 112 -3.637 -12.514 4.702 1.00 0.00 N ATOM 0 H LYS A 112 -1.527 -13.173 0.463 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.907 -15.231 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.632 -13.483 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.761 -14.564 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.299 -12.317 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.895 -12.147 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.586 -12.765 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.322 -14.384 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.043 -14.567 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.813 -13.893 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.794 -12.636 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -3.540 -11.645 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.481 -12.443 5.305 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.662 -16.831 -0.160 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.682 -17.996 -1.037 1.00 0.00 C ATOM 1722 C ASP A 113 -4.831 -17.904 -2.037 1.00 0.00 C ATOM 1723 O ASP A 113 -6.000 -17.926 -1.655 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.807 -19.278 -0.213 1.00 0.00 C ATOM 1725 CG ASP A 113 -4.959 -19.225 0.770 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -4.743 -18.771 1.913 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -6.078 -19.638 0.396 1.00 0.00 O ATOM 0 H ASP A 113 -4.519 -16.691 0.375 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.744 -18.020 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.945 -20.126 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.878 -19.449 0.330 1.00 0.00 H new