USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 557 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 MET CE :methyl 171:sc= -2.23 (180deg=-2.55) USER MOD Single : A 11 SER OG : rot -75:sc= 1.25 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.6!) USER MOD Single : A 19 SER OG : rot -57:sc= 1.16 USER MOD Single : A 23 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.005) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= -0.0135 (180deg=-0.187) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0603) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.95 K(o=-2.9,f=-6.8!) USER MOD Single : A 39 SER OG : rot -85:sc= 1.23 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.29) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00253 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= 0.202 (180deg=0.0203) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 158:sc= 1.08 USER MOD Single : A 70 TYR OH : rot 177:sc= 1.19 USER MOD Single : A 72 THR OG1 : rot -8:sc= 1.6 USER MOD Single : A 73 SER OG : rot -60:sc= 1.25 USER MOD Single : A 74 CYS SG : rot -18:sc= 0.257 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.346 6.879 -2.363 1.00 0.00 N ATOM 127 CA PRO A 9 -12.822 6.021 -3.429 1.00 0.00 C ATOM 128 C PRO A 9 -11.491 6.513 -3.986 1.00 0.00 C ATOM 129 O PRO A 9 -11.275 7.714 -4.140 1.00 0.00 O ATOM 130 CB PRO A 9 -13.907 6.070 -4.511 1.00 0.00 C ATOM 131 CG PRO A 9 -14.719 7.281 -4.208 1.00 0.00 C ATOM 132 CD PRO A 9 -14.640 7.479 -2.721 1.00 0.00 C ATOM 0 HA PRO A 9 -12.616 5.016 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.466 6.132 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.522 5.170 -4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.332 8.152 -4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.752 7.147 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.680 8.535 -2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.466 6.988 -2.206 1.00 0.00 H new ATOM 140 N MET A 10 -10.599 5.574 -4.263 1.00 0.00 N ATOM 141 CA MET A 10 -9.300 5.888 -4.837 1.00 0.00 C ATOM 142 C MET A 10 -9.335 5.636 -6.345 1.00 0.00 C ATOM 143 O MET A 10 -9.640 4.521 -6.778 1.00 0.00 O ATOM 144 CB MET A 10 -8.210 5.024 -4.197 1.00 0.00 C ATOM 145 CG MET A 10 -6.802 5.424 -4.599 1.00 0.00 C ATOM 146 SD MET A 10 -6.117 6.725 -3.562 1.00 0.00 S ATOM 147 CE MET A 10 -6.020 5.872 -1.998 1.00 0.00 C ATOM 0 H MET A 10 -10.754 4.579 -4.098 1.00 0.00 H new ATOM 0 HA MET A 10 -9.074 6.937 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.300 5.085 -3.112 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.375 3.982 -4.473 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.154 4.549 -4.550 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.808 5.759 -5.636 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.469 6.484 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.026 5.690 -1.620 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.506 4.921 -2.134 1.00 0.00 H new ATOM 157 N SER A 11 -9.034 6.657 -7.141 1.00 0.00 N ATOM 158 CA SER A 11 -9.087 6.524 -8.598 1.00 0.00 C ATOM 159 C SER A 11 -7.845 5.806 -9.145 1.00 0.00 C ATOM 160 O SER A 11 -6.912 5.516 -8.391 1.00 0.00 O ATOM 161 CB SER A 11 -9.252 7.896 -9.258 1.00 0.00 C ATOM 162 OG SER A 11 -8.238 8.795 -8.845 1.00 0.00 O ATOM 0 H SER A 11 -8.753 7.579 -6.808 1.00 0.00 H new ATOM 0 HA SER A 11 -9.956 5.913 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.223 7.786 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.229 8.307 -9.006 1.00 0.00 H new ATOM 0 HG SER A 11 -8.422 9.099 -7.932 1.00 0.00 H new ATOM 168 N TYR A 12 -7.826 5.533 -10.453 1.00 0.00 N ATOM 169 CA TYR A 12 -6.760 4.736 -11.058 1.00 0.00 C ATOM 170 C TYR A 12 -5.385 5.412 -10.885 1.00 0.00 C ATOM 171 O TYR A 12 -4.436 4.787 -10.409 1.00 0.00 O ATOM 172 CB TYR A 12 -7.087 4.437 -12.533 1.00 0.00 C ATOM 173 CG TYR A 12 -6.439 5.353 -13.539 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.164 5.080 -13.998 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.097 6.466 -14.035 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.547 5.898 -14.929 1.00 0.00 C ATOM 177 CE2 TYR A 12 -6.494 7.290 -14.961 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.220 7.005 -15.405 1.00 0.00 C ATOM 179 OH TYR A 12 -4.616 7.838 -16.319 1.00 0.00 O ATOM 0 H TYR A 12 -8.537 5.853 -11.111 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.700 3.781 -10.536 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.786 3.413 -12.753 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.168 4.487 -12.665 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.640 4.213 -13.624 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.096 6.691 -13.692 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.550 5.672 -15.279 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.018 8.156 -15.338 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.228 8.568 -16.550 1.00 0.00 H new ATOM 189 N GLU A 13 -5.295 6.690 -11.263 1.00 0.00 N ATOM 190 CA GLU A 13 -4.080 7.492 -11.088 1.00 0.00 C ATOM 191 C GLU A 13 -3.633 7.514 -9.636 1.00 0.00 C ATOM 192 O GLU A 13 -2.437 7.539 -9.348 1.00 0.00 O ATOM 193 CB GLU A 13 -4.334 8.941 -11.573 1.00 0.00 C ATOM 194 CG GLU A 13 -5.578 9.560 -10.970 1.00 0.00 C ATOM 195 CD GLU A 13 -5.764 10.997 -11.402 1.00 0.00 C ATOM 196 OE1 GLU A 13 -5.055 11.875 -10.872 1.00 0.00 O ATOM 197 OE2 GLU A 13 -6.606 11.253 -12.288 1.00 0.00 O ATOM 0 H GLU A 13 -6.064 7.199 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.288 7.035 -11.681 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.471 9.558 -11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.424 8.944 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.451 8.978 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.515 9.514 -9.883 1.00 0.00 H new ATOM 204 N GLU A 14 -4.587 7.490 -8.734 1.00 0.00 N ATOM 205 CA GLU A 14 -4.292 7.529 -7.325 1.00 0.00 C ATOM 206 C GLU A 14 -3.714 6.202 -6.862 1.00 0.00 C ATOM 207 O GLU A 14 -2.746 6.173 -6.115 1.00 0.00 O ATOM 208 CB GLU A 14 -5.552 7.856 -6.558 1.00 0.00 C ATOM 209 CG GLU A 14 -5.955 9.314 -6.637 1.00 0.00 C ATOM 210 CD GLU A 14 -7.197 9.602 -5.825 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.303 9.250 -6.286 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.079 10.164 -4.716 1.00 0.00 O ATOM 0 H GLU A 14 -5.581 7.443 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.547 8.302 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.368 7.242 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.410 7.584 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.135 9.937 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.131 9.586 -7.678 1.00 0.00 H new ATOM 219 N LYS A 15 -4.320 5.109 -7.311 1.00 0.00 N ATOM 220 CA LYS A 15 -3.788 3.771 -7.047 1.00 0.00 C ATOM 221 C LYS A 15 -2.376 3.633 -7.618 1.00 0.00 C ATOM 222 O LYS A 15 -1.508 2.995 -7.021 1.00 0.00 O ATOM 223 CB LYS A 15 -4.687 2.690 -7.642 1.00 0.00 C ATOM 224 CG LYS A 15 -6.019 2.551 -6.950 1.00 0.00 C ATOM 225 CD LYS A 15 -7.039 1.957 -7.896 1.00 0.00 C ATOM 226 CE LYS A 15 -8.075 1.142 -7.159 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.060 0.519 -8.080 1.00 0.00 N ATOM 0 H LYS A 15 -5.180 5.120 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.755 3.638 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.858 2.913 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.165 1.734 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.915 1.916 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.360 3.526 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.531 2.757 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.533 1.327 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.578 0.363 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.599 1.781 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.751 -0.030 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.554 1.262 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.565 -0.112 -8.742 1.00 0.00 H new ATOM 241 N ARG A 16 -2.163 4.227 -8.789 1.00 0.00 N ATOM 242 CA ARG A 16 -0.844 4.257 -9.414 1.00 0.00 C ATOM 243 C ARG A 16 0.139 5.029 -8.542 1.00 0.00 C ATOM 244 O ARG A 16 1.209 4.519 -8.201 1.00 0.00 O ATOM 245 CB ARG A 16 -0.932 4.884 -10.803 1.00 0.00 C ATOM 246 CG ARG A 16 0.367 4.803 -11.569 1.00 0.00 C ATOM 247 CD ARG A 16 0.261 5.459 -12.936 1.00 0.00 C ATOM 248 NE ARG A 16 -0.542 4.671 -13.874 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.931 5.109 -15.072 1.00 0.00 C ATOM 250 NH1 ARG A 16 -0.615 6.335 -15.470 1.00 0.00 N ATOM 251 NH2 ARG A 16 -1.634 4.317 -15.869 1.00 0.00 N ATOM 0 H ARG A 16 -2.891 4.697 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.483 3.234 -9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.715 4.384 -11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.226 5.929 -10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.158 5.286 -10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.653 3.758 -11.689 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.181 6.449 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.261 5.599 -13.347 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.820 3.731 -13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.073 6.946 -14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.914 6.667 -16.387 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.877 3.374 -15.566 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.932 4.651 -16.786 1.00 0.00 H new ATOM 265 N GLN A 17 -0.240 6.248 -8.170 1.00 0.00 N ATOM 266 CA GLN A 17 0.576 7.081 -7.296 1.00 0.00 C ATOM 267 C GLN A 17 0.846 6.353 -5.981 1.00 0.00 C ATOM 268 O GLN A 17 1.958 6.380 -5.456 1.00 0.00 O ATOM 269 CB GLN A 17 -0.132 8.412 -7.034 1.00 0.00 C ATOM 270 CG GLN A 17 0.771 9.479 -6.437 1.00 0.00 C ATOM 271 CD GLN A 17 1.813 9.989 -7.416 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.263 9.270 -8.310 1.00 0.00 O ATOM 273 NE2 GLN A 17 2.207 11.241 -7.254 1.00 0.00 N ATOM 0 H GLN A 17 -1.115 6.683 -8.464 1.00 0.00 H new ATOM 0 HA GLN A 17 1.530 7.282 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.547 8.783 -7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.971 8.240 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.160 10.315 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.273 9.073 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.812 11.807 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.906 11.641 -7.881 1.00 0.00 H new ATOM 282 N LEU A 18 -0.187 5.683 -5.497 1.00 0.00 N ATOM 283 CA LEU A 18 -0.132 4.881 -4.277 1.00 0.00 C ATOM 284 C LEU A 18 0.944 3.802 -4.393 1.00 0.00 C ATOM 285 O LEU A 18 1.813 3.655 -3.545 1.00 0.00 O ATOM 286 CB LEU A 18 -1.495 4.224 -4.069 1.00 0.00 C ATOM 287 CG LEU A 18 -1.967 4.008 -2.639 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.210 3.154 -2.650 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.898 3.374 -1.777 1.00 0.00 C ATOM 0 H LEU A 18 -1.103 5.678 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 18 0.115 5.522 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.241 4.832 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.479 3.254 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.190 4.982 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.552 2.996 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.991 3.656 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.986 2.192 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.279 3.239 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.622 2.405 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.021 4.021 -1.751 1.00 0.00 H new ATOM 301 N SER A 19 0.872 3.038 -5.461 1.00 0.00 N ATOM 302 CA SER A 19 1.831 1.973 -5.699 1.00 0.00 C ATOM 303 C SER A 19 3.258 2.529 -5.756 1.00 0.00 C ATOM 304 O SER A 19 4.232 1.830 -5.465 1.00 0.00 O ATOM 305 CB SER A 19 1.469 1.235 -6.991 1.00 0.00 C ATOM 306 OG SER A 19 2.026 1.858 -8.138 1.00 0.00 O ATOM 0 H SER A 19 0.158 3.132 -6.183 1.00 0.00 H new ATOM 0 HA SER A 19 1.791 1.265 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.823 0.206 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.385 1.194 -7.092 1.00 0.00 H new ATOM 0 HG SER A 19 1.730 2.791 -8.179 1.00 0.00 H new ATOM 312 N LEU A 20 3.359 3.806 -6.097 1.00 0.00 N ATOM 313 CA LEU A 20 4.642 4.472 -6.225 1.00 0.00 C ATOM 314 C LEU A 20 5.137 4.993 -4.870 1.00 0.00 C ATOM 315 O LEU A 20 6.341 5.004 -4.608 1.00 0.00 O ATOM 316 CB LEU A 20 4.519 5.597 -7.250 1.00 0.00 C ATOM 317 CG LEU A 20 4.171 5.133 -8.658 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.215 6.299 -9.615 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.100 4.026 -9.105 1.00 0.00 C ATOM 0 H LEU A 20 2.556 4.405 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 20 5.386 3.756 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.755 6.297 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.461 6.145 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 20 3.158 4.731 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.965 5.956 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.496 7.055 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.216 6.729 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.832 3.711 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.128 4.389 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.011 3.179 -8.425 1.00 0.00 H new ATOM 331 N ASP A 21 4.213 5.413 -4.007 1.00 0.00 N ATOM 332 CA ASP A 21 4.562 5.832 -2.644 1.00 0.00 C ATOM 333 C ASP A 21 4.897 4.621 -1.775 1.00 0.00 C ATOM 334 O ASP A 21 5.791 4.678 -0.926 1.00 0.00 O ATOM 335 CB ASP A 21 3.456 6.685 -2.021 1.00 0.00 C ATOM 336 CG ASP A 21 2.129 5.978 -1.864 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.057 4.956 -1.156 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.155 6.460 -2.459 1.00 0.00 O ATOM 0 H ASP A 21 3.218 5.473 -4.224 1.00 0.00 H new ATOM 0 HA ASP A 21 5.453 6.457 -2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.788 7.028 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.309 7.572 -2.637 1.00 0.00 H new ATOM 343 N ILE A 22 4.209 3.515 -2.015 1.00 0.00 N ATOM 344 CA ILE A 22 4.537 2.254 -1.376 1.00 0.00 C ATOM 345 C ILE A 22 5.949 1.831 -1.744 1.00 0.00 C ATOM 346 O ILE A 22 6.691 1.293 -0.921 1.00 0.00 O ATOM 347 CB ILE A 22 3.518 1.171 -1.786 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.376 1.144 -0.777 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.163 -0.201 -1.930 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.201 0.298 -1.208 1.00 0.00 C ATOM 0 H ILE A 22 3.415 3.468 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 22 4.488 2.381 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 22 3.123 1.427 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.753 0.768 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.033 2.164 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.406 -0.930 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.939 -0.160 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.606 -0.496 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.429 0.328 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.797 0.686 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.528 -0.732 -1.354 1.00 0.00 H new ATOM 362 N ASN A 23 6.317 2.110 -2.983 1.00 0.00 N ATOM 363 CA ASN A 23 7.648 1.806 -3.478 1.00 0.00 C ATOM 364 C ASN A 23 8.703 2.665 -2.767 1.00 0.00 C ATOM 365 O ASN A 23 9.887 2.341 -2.760 1.00 0.00 O ATOM 366 CB ASN A 23 7.689 2.037 -4.992 1.00 0.00 C ATOM 367 CG ASN A 23 9.043 1.748 -5.615 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.327 0.619 -6.014 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.877 2.770 -5.726 1.00 0.00 N ATOM 0 H ASN A 23 5.706 2.551 -3.670 1.00 0.00 H new ATOM 0 HA ASN A 23 7.878 0.761 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.938 1.407 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.416 3.071 -5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.793 2.637 -6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.604 3.691 -5.383 1.00 0.00 H new ATOM 376 N LYS A 24 8.258 3.758 -2.157 1.00 0.00 N ATOM 377 CA LYS A 24 9.149 4.658 -1.433 1.00 0.00 C ATOM 378 C LYS A 24 9.423 4.153 -0.016 1.00 0.00 C ATOM 379 O LYS A 24 10.360 4.608 0.642 1.00 0.00 O ATOM 380 CB LYS A 24 8.537 6.053 -1.364 1.00 0.00 C ATOM 381 CG LYS A 24 8.767 6.915 -2.597 1.00 0.00 C ATOM 382 CD LYS A 24 7.925 8.181 -2.535 1.00 0.00 C ATOM 383 CE LYS A 24 8.327 9.199 -3.593 1.00 0.00 C ATOM 384 NZ LYS A 24 9.686 9.756 -3.350 1.00 0.00 N ATOM 0 H LYS A 24 7.279 4.044 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 24 10.095 4.695 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.464 5.955 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.945 6.570 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.822 7.178 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.516 6.349 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.874 7.922 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.022 8.631 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.299 8.729 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.600 10.011 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.819 10.611 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.787 9.998 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.403 9.048 -3.609 1.00 0.00 H new ATOM 398 N LEU A 25 8.604 3.226 0.456 1.00 0.00 N ATOM 399 CA LEU A 25 8.765 2.680 1.800 1.00 0.00 C ATOM 400 C LEU A 25 9.931 1.698 1.869 1.00 0.00 C ATOM 401 O LEU A 25 10.124 0.887 0.962 1.00 0.00 O ATOM 402 CB LEU A 25 7.485 1.989 2.257 1.00 0.00 C ATOM 403 CG LEU A 25 6.307 2.916 2.531 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.258 2.171 3.312 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.754 4.135 3.307 1.00 0.00 C ATOM 0 H LEU A 25 7.822 2.835 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 25 8.980 3.516 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.189 1.268 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.700 1.424 3.164 1.00 0.00 H new ATOM 0 HG LEU A 25 5.892 3.248 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.414 2.832 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.918 1.310 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.681 1.831 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.897 4.783 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.185 3.823 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.503 4.679 2.731 1.00 0.00 H new ATOM 417 N PRO A 26 10.744 1.775 2.942 1.00 0.00 N ATOM 418 CA PRO A 26 11.812 0.806 3.185 1.00 0.00 C ATOM 419 C PRO A 26 11.243 -0.562 3.540 1.00 0.00 C ATOM 420 O PRO A 26 10.106 -0.649 4.005 1.00 0.00 O ATOM 421 CB PRO A 26 12.587 1.392 4.371 1.00 0.00 C ATOM 422 CG PRO A 26 11.624 2.306 5.055 1.00 0.00 C ATOM 423 CD PRO A 26 10.687 2.817 3.989 1.00 0.00 C ATOM 0 HA PRO A 26 12.438 0.652 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.930 0.606 5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.472 1.932 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.074 1.778 5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.148 3.130 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.675 2.944 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.006 3.786 3.607 1.00 0.00 H new ATOM 431 N GLY A 27 12.033 -1.615 3.335 1.00 0.00 N ATOM 432 CA GLY A 27 11.546 -2.979 3.509 1.00 0.00 C ATOM 433 C GLY A 27 10.784 -3.193 4.806 1.00 0.00 C ATOM 434 O GLY A 27 9.689 -3.754 4.809 1.00 0.00 O ATOM 0 H GLY A 27 13.010 -1.548 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.898 -3.234 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.393 -3.665 3.478 1.00 0.00 H new ATOM 438 N GLU A 28 11.350 -2.727 5.904 1.00 0.00 N ATOM 439 CA GLU A 28 10.722 -2.873 7.213 1.00 0.00 C ATOM 440 C GLU A 28 9.376 -2.142 7.283 1.00 0.00 C ATOM 441 O GLU A 28 8.381 -2.693 7.766 1.00 0.00 O ATOM 442 CB GLU A 28 11.650 -2.385 8.333 1.00 0.00 C ATOM 443 CG GLU A 28 12.689 -1.365 7.905 1.00 0.00 C ATOM 444 CD GLU A 28 13.839 -1.982 7.136 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.643 -2.713 7.746 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.930 -1.750 5.912 1.00 0.00 O ATOM 0 H GLU A 28 12.247 -2.242 5.920 1.00 0.00 H new ATOM 0 HA GLU A 28 10.535 -3.937 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.041 -1.951 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.163 -3.246 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.211 -0.605 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.079 -0.859 8.788 1.00 0.00 H new ATOM 453 N LYS A 29 9.327 -0.924 6.763 1.00 0.00 N ATOM 454 CA LYS A 29 8.113 -0.117 6.853 1.00 0.00 C ATOM 455 C LYS A 29 7.058 -0.622 5.880 1.00 0.00 C ATOM 456 O LYS A 29 5.860 -0.513 6.123 1.00 0.00 O ATOM 457 CB LYS A 29 8.420 1.349 6.540 1.00 0.00 C ATOM 458 CG LYS A 29 8.688 2.225 7.755 1.00 0.00 C ATOM 459 CD LYS A 29 9.841 1.704 8.591 1.00 0.00 C ATOM 460 CE LYS A 29 10.559 2.837 9.299 1.00 0.00 C ATOM 461 NZ LYS A 29 9.636 3.623 10.159 1.00 0.00 N ATOM 0 H LYS A 29 10.104 -0.474 6.279 1.00 0.00 H new ATOM 0 HA LYS A 29 7.733 -0.200 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.289 1.390 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.581 1.770 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.908 3.241 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.789 2.276 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.468 0.991 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.543 1.167 7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.367 2.431 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.017 3.495 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.188 4.252 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.005 4.193 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.069 2.975 10.742 1.00 0.00 H new ATOM 475 N LEU A 30 7.507 -1.224 4.796 1.00 0.00 N ATOM 476 CA LEU A 30 6.593 -1.700 3.780 1.00 0.00 C ATOM 477 C LEU A 30 5.970 -3.032 4.189 1.00 0.00 C ATOM 478 O LEU A 30 4.996 -3.483 3.595 1.00 0.00 O ATOM 479 CB LEU A 30 7.288 -1.726 2.404 1.00 0.00 C ATOM 480 CG LEU A 30 7.301 -3.030 1.602 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.921 -2.744 0.251 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.096 -4.125 2.294 1.00 0.00 C ATOM 0 H LEU A 30 8.493 -1.394 4.598 1.00 0.00 H new ATOM 0 HA LEU A 30 5.758 -1.006 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.818 -0.963 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.324 -1.421 2.553 1.00 0.00 H new ATOM 0 HG LEU A 30 6.275 -3.385 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.942 -3.659 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.330 -1.990 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.938 -2.377 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.075 -5.029 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.128 -3.799 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.656 -4.333 3.269 1.00 0.00 H new ATOM 494 N GLY A 31 6.519 -3.644 5.231 1.00 0.00 N ATOM 495 CA GLY A 31 5.875 -4.805 5.813 1.00 0.00 C ATOM 496 C GLY A 31 4.558 -4.422 6.465 1.00 0.00 C ATOM 497 O GLY A 31 3.697 -5.269 6.693 1.00 0.00 O ATOM 0 H GLY A 31 7.390 -3.361 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.699 -5.554 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.534 -5.259 6.553 1.00 0.00 H new ATOM 501 N ARG A 32 4.397 -3.134 6.769 1.00 0.00 N ATOM 502 CA ARG A 32 3.129 -2.641 7.296 1.00 0.00 C ATOM 503 C ARG A 32 2.051 -2.642 6.224 1.00 0.00 C ATOM 504 O ARG A 32 0.920 -3.019 6.501 1.00 0.00 O ATOM 505 CB ARG A 32 3.253 -1.235 7.876 1.00 0.00 C ATOM 506 CG ARG A 32 1.924 -0.657 8.341 1.00 0.00 C ATOM 507 CD ARG A 32 1.930 -0.349 9.829 1.00 0.00 C ATOM 508 NE ARG A 32 1.994 -1.560 10.644 1.00 0.00 N ATOM 509 CZ ARG A 32 1.274 -1.755 11.750 1.00 0.00 C ATOM 510 NH1 ARG A 32 0.422 -0.825 12.173 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.411 -2.883 12.435 1.00 0.00 N ATOM 0 H ARG A 32 5.120 -2.423 6.661 1.00 0.00 H new ATOM 0 HA ARG A 32 2.847 -3.323 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.946 -1.256 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.685 -0.576 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.709 0.254 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.124 -1.363 8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.782 0.289 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.032 0.212 10.086 1.00 0.00 H new ATOM 0 HE ARG A 32 2.628 -2.302 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.316 0.045 11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.125 -0.982 13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.065 -3.597 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.862 -3.036 13.281 1.00 0.00 H new ATOM 525 N VAL A 33 2.384 -2.211 5.007 1.00 0.00 N ATOM 526 CA VAL A 33 1.397 -2.215 3.928 1.00 0.00 C ATOM 527 C VAL A 33 0.912 -3.629 3.677 1.00 0.00 C ATOM 528 O VAL A 33 -0.289 -3.869 3.638 1.00 0.00 O ATOM 529 CB VAL A 33 1.897 -1.585 2.605 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.173 -0.284 2.350 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.387 -1.324 2.610 1.00 0.00 C ATOM 0 H VAL A 33 3.307 -1.863 4.747 1.00 0.00 H new ATOM 0 HA VAL A 33 0.577 -1.582 4.269 1.00 0.00 H new ATOM 0 HB VAL A 33 1.687 -2.305 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.529 0.154 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.102 -0.472 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.365 0.406 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.682 -0.882 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.634 -0.638 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.920 -2.263 2.755 1.00 0.00 H new ATOM 541 N VAL A 34 1.849 -4.560 3.537 1.00 0.00 N ATOM 542 CA VAL A 34 1.515 -5.990 3.466 1.00 0.00 C ATOM 543 C VAL A 34 0.574 -6.374 4.616 1.00 0.00 C ATOM 544 O VAL A 34 -0.388 -7.102 4.418 1.00 0.00 O ATOM 545 CB VAL A 34 2.784 -6.908 3.499 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.030 -6.160 3.070 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.994 -7.562 4.857 1.00 0.00 C ATOM 0 H VAL A 34 2.846 -4.357 3.470 1.00 0.00 H new ATOM 0 HA VAL A 34 1.019 -6.150 2.509 1.00 0.00 H new ATOM 0 HB VAL A 34 2.600 -7.705 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.888 -6.831 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.901 -5.791 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.199 -5.319 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.886 -8.187 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.118 -6.791 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.128 -8.177 5.102 1.00 0.00 H new ATOM 557 N HIS A 35 0.841 -5.838 5.807 1.00 0.00 N ATOM 558 CA HIS A 35 0.065 -6.169 6.995 1.00 0.00 C ATOM 559 C HIS A 35 -1.327 -5.554 6.929 1.00 0.00 C ATOM 560 O HIS A 35 -2.321 -6.227 7.195 1.00 0.00 O ATOM 561 CB HIS A 35 0.799 -5.691 8.249 1.00 0.00 C ATOM 562 CG HIS A 35 0.107 -6.040 9.531 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.213 -7.276 10.129 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.696 -5.302 10.333 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.497 -7.284 11.241 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.057 -6.100 11.388 1.00 0.00 N ATOM 0 H HIS A 35 1.594 -5.170 5.972 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.048 -7.252 7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.799 -6.124 8.259 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.920 -4.609 8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.996 -4.277 10.172 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.602 -8.120 11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.661 -5.822 12.161 1.00 0.00 H new ATOM 575 N ILE A 36 -1.390 -4.272 6.590 1.00 0.00 N ATOM 576 CA ILE A 36 -2.663 -3.582 6.431 1.00 0.00 C ATOM 577 C ILE A 36 -3.493 -4.293 5.380 1.00 0.00 C ATOM 578 O ILE A 36 -4.675 -4.559 5.566 1.00 0.00 O ATOM 579 CB ILE A 36 -2.469 -2.114 5.999 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.666 -1.365 7.062 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.825 -1.455 5.773 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.152 -0.020 6.612 1.00 0.00 C ATOM 0 H ILE A 36 -0.571 -3.688 6.420 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.168 -3.592 7.397 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.914 -2.081 5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.292 -1.226 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.820 -1.982 7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.680 -0.419 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.364 -1.991 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.402 -1.484 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.593 0.446 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.498 -0.150 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.992 0.617 6.337 1.00 0.00 H new ATOM 594 N ILE A 37 -2.834 -4.612 4.288 1.00 0.00 N ATOM 595 CA ILE A 37 -3.445 -5.310 3.186 1.00 0.00 C ATOM 596 C ILE A 37 -3.922 -6.705 3.607 1.00 0.00 C ATOM 597 O ILE A 37 -5.104 -6.960 3.596 1.00 0.00 O ATOM 598 CB ILE A 37 -2.454 -5.369 2.017 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.370 -3.999 1.351 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.835 -6.441 1.023 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.087 -3.770 0.608 1.00 0.00 C ATOM 0 H ILE A 37 -1.849 -4.390 4.142 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.333 -4.768 2.862 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.470 -5.634 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.205 -3.889 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.482 -3.227 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.112 -6.455 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.842 -7.412 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.827 -6.231 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.098 -2.776 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.248 -3.848 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.982 -4.520 -0.176 1.00 0.00 H new ATOM 613 N GLN A 38 -3.010 -7.580 4.015 1.00 0.00 N ATOM 614 CA GLN A 38 -3.371 -8.940 4.464 1.00 0.00 C ATOM 615 C GLN A 38 -4.514 -8.938 5.488 1.00 0.00 C ATOM 616 O GLN A 38 -5.351 -9.842 5.496 1.00 0.00 O ATOM 617 CB GLN A 38 -2.168 -9.635 5.106 1.00 0.00 C ATOM 618 CG GLN A 38 -1.065 -10.003 4.140 1.00 0.00 C ATOM 619 CD GLN A 38 0.126 -10.622 4.847 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.270 -10.444 4.434 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.136 -11.374 5.907 1.00 0.00 N ATOM 0 H GLN A 38 -2.010 -7.381 4.048 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.697 -9.474 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.756 -8.982 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.512 -10.540 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.451 -10.703 3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.744 -9.112 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.099 -11.498 6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.626 -11.829 6.410 1.00 0.00 H new ATOM 630 N SER A 39 -4.534 -7.941 6.364 1.00 0.00 N ATOM 631 CA SER A 39 -5.533 -7.884 7.423 1.00 0.00 C ATOM 632 C SER A 39 -6.878 -7.391 6.888 1.00 0.00 C ATOM 633 O SER A 39 -7.920 -7.988 7.159 1.00 0.00 O ATOM 634 CB SER A 39 -5.043 -6.987 8.565 1.00 0.00 C ATOM 635 OG SER A 39 -4.801 -5.663 8.121 1.00 0.00 O ATOM 0 H SER A 39 -3.873 -7.164 6.362 1.00 0.00 H new ATOM 0 HA SER A 39 -5.679 -8.893 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.786 -6.974 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.128 -7.402 8.988 1.00 0.00 H new ATOM 0 HG SER A 39 -3.895 -5.602 7.752 1.00 0.00 H new ATOM 641 N ARG A 40 -6.847 -6.303 6.127 1.00 0.00 N ATOM 642 CA ARG A 40 -8.060 -5.729 5.551 1.00 0.00 C ATOM 643 C ARG A 40 -8.523 -6.543 4.347 1.00 0.00 C ATOM 644 O ARG A 40 -9.681 -6.466 3.935 1.00 0.00 O ATOM 645 CB ARG A 40 -7.816 -4.260 5.182 1.00 0.00 C ATOM 646 CG ARG A 40 -7.507 -3.421 6.399 1.00 0.00 C ATOM 647 CD ARG A 40 -7.205 -1.978 6.058 1.00 0.00 C ATOM 648 NE ARG A 40 -8.427 -1.181 5.988 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.559 0.032 6.527 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.521 0.638 7.092 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.739 0.632 6.512 1.00 0.00 N ATOM 0 H ARG A 40 -5.992 -5.798 5.893 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.859 -5.765 6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.988 -4.195 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.696 -3.860 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.354 -3.458 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.654 -3.851 6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.537 -1.557 6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.682 -1.930 5.103 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.229 -1.576 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.612 0.176 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.633 1.566 7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.542 0.167 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.845 1.560 6.923 1.00 0.00 H new ATOM 665 N GLU A 41 -7.606 -7.332 3.809 1.00 0.00 N ATOM 666 CA GLU A 41 -7.888 -8.244 2.710 1.00 0.00 C ATOM 667 C GLU A 41 -7.595 -9.675 3.142 1.00 0.00 C ATOM 668 O GLU A 41 -6.571 -10.245 2.754 1.00 0.00 O ATOM 669 CB GLU A 41 -7.001 -7.935 1.510 1.00 0.00 C ATOM 670 CG GLU A 41 -6.859 -6.462 1.189 1.00 0.00 C ATOM 671 CD GLU A 41 -8.143 -5.826 0.688 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.981 -6.546 0.094 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.323 -4.602 0.888 1.00 0.00 O ATOM 0 H GLU A 41 -6.637 -7.358 4.125 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.937 -8.125 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.010 -8.350 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.405 -8.446 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.526 -5.934 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.082 -6.336 0.435 1.00 0.00 H new ATOM 680 N PRO A 42 -8.475 -10.296 3.935 1.00 0.00 N ATOM 681 CA PRO A 42 -8.230 -11.646 4.428 1.00 0.00 C ATOM 682 C PRO A 42 -8.270 -12.679 3.305 1.00 0.00 C ATOM 683 O PRO A 42 -7.984 -13.857 3.517 1.00 0.00 O ATOM 684 CB PRO A 42 -9.342 -11.909 5.446 1.00 0.00 C ATOM 685 CG PRO A 42 -10.300 -10.758 5.366 1.00 0.00 C ATOM 686 CD PRO A 42 -9.753 -9.739 4.396 1.00 0.00 C ATOM 0 HA PRO A 42 -7.237 -11.729 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.850 -12.848 5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.930 -11.997 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.280 -11.104 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.434 -10.309 6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.438 -9.581 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.610 -8.772 4.879 1.00 0.00 H new ATOM 694 N SER A 43 -8.613 -12.227 2.106 1.00 0.00 N ATOM 695 CA SER A 43 -8.629 -13.082 0.934 1.00 0.00 C ATOM 696 C SER A 43 -7.208 -13.384 0.460 1.00 0.00 C ATOM 697 O SER A 43 -6.980 -14.319 -0.307 1.00 0.00 O ATOM 698 CB SER A 43 -9.429 -12.407 -0.178 1.00 0.00 C ATOM 699 OG SER A 43 -9.014 -11.061 -0.353 1.00 0.00 O ATOM 0 H SER A 43 -8.886 -11.262 1.922 1.00 0.00 H new ATOM 0 HA SER A 43 -9.102 -14.028 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.299 -12.956 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.492 -12.436 0.063 1.00 0.00 H new ATOM 0 HG SER A 43 -9.538 -10.648 -1.071 1.00 0.00 H new ATOM 705 N LEU A 44 -6.250 -12.586 0.920 1.00 0.00 N ATOM 706 CA LEU A 44 -4.857 -12.794 0.557 1.00 0.00 C ATOM 707 C LEU A 44 -4.009 -13.105 1.788 1.00 0.00 C ATOM 708 O LEU A 44 -2.788 -12.960 1.768 1.00 0.00 O ATOM 709 CB LEU A 44 -4.315 -11.578 -0.218 1.00 0.00 C ATOM 710 CG LEU A 44 -4.400 -10.223 0.459 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.092 -9.890 1.142 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.751 -9.158 -0.566 1.00 0.00 C ATOM 0 H LEU A 44 -6.413 -11.794 1.542 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.797 -13.661 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.269 -11.770 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.852 -11.516 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.182 -10.255 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.170 -8.915 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.871 -10.648 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.291 -9.867 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.811 -8.187 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.982 -9.128 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.713 -9.394 -1.022 1.00 0.00 H new ATOM 724 N LYS A 45 -4.664 -13.580 2.846 1.00 0.00 N ATOM 725 CA LYS A 45 -3.978 -13.907 4.098 1.00 0.00 C ATOM 726 C LYS A 45 -3.030 -15.096 3.922 1.00 0.00 C ATOM 727 O LYS A 45 -2.138 -15.311 4.741 1.00 0.00 O ATOM 728 CB LYS A 45 -4.985 -14.211 5.207 1.00 0.00 C ATOM 729 CG LYS A 45 -5.751 -15.511 5.014 1.00 0.00 C ATOM 730 CD LYS A 45 -6.681 -15.779 6.177 1.00 0.00 C ATOM 731 CE LYS A 45 -5.878 -16.033 7.433 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.728 -16.485 8.563 1.00 0.00 N ATOM 0 H LYS A 45 -5.670 -13.748 2.863 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.389 -13.035 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.458 -14.251 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.697 -13.389 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.326 -15.463 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.048 -16.338 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.345 -14.928 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.312 -16.641 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.117 -16.787 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.354 -15.120 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.134 -16.646 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.438 -15.756 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.208 -17.370 8.304 1.00 0.00 H new ATOM 746 N ASN A 46 -3.229 -15.871 2.853 1.00 0.00 N ATOM 747 CA ASN A 46 -2.370 -17.020 2.567 1.00 0.00 C ATOM 748 C ASN A 46 -0.987 -16.553 2.130 1.00 0.00 C ATOM 749 O ASN A 46 -0.035 -17.336 2.090 1.00 0.00 O ATOM 750 CB ASN A 46 -2.990 -17.896 1.459 1.00 0.00 C ATOM 751 CG ASN A 46 -3.128 -17.151 0.145 1.00 0.00 C ATOM 752 OD1 ASN A 46 -4.114 -16.451 -0.082 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.150 -17.305 -0.735 1.00 0.00 N ATOM 0 H ASN A 46 -3.975 -15.723 2.174 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.278 -17.610 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.371 -18.780 1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.971 -18.245 1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.198 -16.834 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.349 -17.894 -0.509 1.00 0.00 H new ATOM 760 N SER A 47 -0.887 -15.277 1.800 1.00 0.00 N ATOM 761 CA SER A 47 0.364 -14.700 1.350 1.00 0.00 C ATOM 762 C SER A 47 1.238 -14.327 2.544 1.00 0.00 C ATOM 763 O SER A 47 0.763 -13.728 3.508 1.00 0.00 O ATOM 764 CB SER A 47 0.084 -13.475 0.481 1.00 0.00 C ATOM 765 OG SER A 47 -0.644 -13.838 -0.683 1.00 0.00 O ATOM 0 H SER A 47 -1.665 -14.618 1.836 1.00 0.00 H new ATOM 0 HA SER A 47 0.903 -15.437 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.480 -12.739 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.024 -13.004 0.195 1.00 0.00 H new ATOM 0 HG SER A 47 -0.814 -13.039 -1.225 1.00 0.00 H new ATOM 771 N ASN A 48 2.506 -14.714 2.491 1.00 0.00 N ATOM 772 CA ASN A 48 3.447 -14.386 3.552 1.00 0.00 C ATOM 773 C ASN A 48 3.853 -12.925 3.446 1.00 0.00 C ATOM 774 O ASN A 48 3.952 -12.378 2.349 1.00 0.00 O ATOM 775 CB ASN A 48 4.684 -15.281 3.472 1.00 0.00 C ATOM 776 CG ASN A 48 4.375 -16.732 3.791 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.023 -17.515 2.909 1.00 0.00 O ATOM 778 ND2 ASN A 48 4.502 -17.106 5.056 1.00 0.00 N ATOM 0 H ASN A 48 2.906 -15.255 1.724 1.00 0.00 H new ATOM 0 HA ASN A 48 2.962 -14.556 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.111 -15.216 2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.440 -14.913 4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.306 -18.070 5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.796 -16.430 5.761 1.00 0.00 H new ATOM 785 N PRO A 49 4.093 -12.281 4.599 1.00 0.00 N ATOM 786 CA PRO A 49 4.345 -10.837 4.678 1.00 0.00 C ATOM 787 C PRO A 49 5.560 -10.367 3.883 1.00 0.00 C ATOM 788 O PRO A 49 5.692 -9.179 3.593 1.00 0.00 O ATOM 789 CB PRO A 49 4.564 -10.590 6.174 1.00 0.00 C ATOM 790 CG PRO A 49 4.881 -11.919 6.752 1.00 0.00 C ATOM 791 CD PRO A 49 4.116 -12.909 5.930 1.00 0.00 C ATOM 0 HA PRO A 49 3.515 -10.280 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.379 -9.885 6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.674 -10.163 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.952 -12.119 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.588 -11.970 7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.606 -13.882 5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.110 -13.067 6.320 1.00 0.00 H new ATOM 799 N ASP A 50 6.454 -11.284 3.547 1.00 0.00 N ATOM 800 CA ASP A 50 7.630 -10.941 2.752 1.00 0.00 C ATOM 801 C ASP A 50 7.448 -11.337 1.297 1.00 0.00 C ATOM 802 O ASP A 50 8.388 -11.267 0.506 1.00 0.00 O ATOM 803 CB ASP A 50 8.886 -11.618 3.302 1.00 0.00 C ATOM 804 CG ASP A 50 9.391 -10.979 4.578 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.088 -9.941 4.505 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.098 -11.515 5.667 1.00 0.00 O ATOM 0 H ASP A 50 6.391 -12.268 3.809 1.00 0.00 H new ATOM 0 HA ASP A 50 7.750 -9.859 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.673 -12.670 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.672 -11.581 2.548 1.00 0.00 H new ATOM 811 N GLU A 51 6.242 -11.757 0.944 1.00 0.00 N ATOM 812 CA GLU A 51 5.968 -12.217 -0.410 1.00 0.00 C ATOM 813 C GLU A 51 4.667 -11.615 -0.915 1.00 0.00 C ATOM 814 O GLU A 51 4.043 -12.145 -1.836 1.00 0.00 O ATOM 815 CB GLU A 51 5.864 -13.745 -0.446 1.00 0.00 C ATOM 816 CG GLU A 51 7.042 -14.470 0.187 1.00 0.00 C ATOM 817 CD GLU A 51 6.929 -15.974 0.049 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.395 -16.518 -0.972 1.00 0.00 O ATOM 819 OE2 GLU A 51 6.359 -16.617 0.955 1.00 0.00 O ATOM 0 H GLU A 51 5.440 -11.789 1.573 1.00 0.00 H new ATOM 0 HA GLU A 51 6.790 -11.898 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.950 -14.047 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.770 -14.066 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.967 -14.133 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.103 -14.207 1.243 1.00 0.00 H new ATOM 826 N ILE A 52 4.267 -10.501 -0.317 1.00 0.00 N ATOM 827 CA ILE A 52 2.971 -9.917 -0.606 1.00 0.00 C ATOM 828 C ILE A 52 2.943 -9.266 -1.979 1.00 0.00 C ATOM 829 O ILE A 52 3.941 -8.738 -2.464 1.00 0.00 O ATOM 830 CB ILE A 52 2.532 -8.905 0.485 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.032 -9.023 0.740 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.866 -7.478 0.097 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.621 -10.359 1.275 1.00 0.00 C ATOM 0 H ILE A 52 4.821 -9.988 0.368 1.00 0.00 H new ATOM 0 HA ILE A 52 2.254 -10.738 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 52 3.082 -9.148 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.729 -8.249 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.497 -8.833 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.542 -6.801 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.942 -7.382 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.354 -7.224 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.457 -10.372 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.893 -11.136 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.128 -10.543 2.222 1.00 0.00 H new ATOM 845 N GLU A 53 1.792 -9.359 -2.606 1.00 0.00 N ATOM 846 CA GLU A 53 1.535 -8.686 -3.860 1.00 0.00 C ATOM 847 C GLU A 53 0.384 -7.725 -3.648 1.00 0.00 C ATOM 848 O GLU A 53 -0.776 -8.134 -3.593 1.00 0.00 O ATOM 849 CB GLU A 53 1.187 -9.692 -4.960 1.00 0.00 C ATOM 850 CG GLU A 53 2.282 -10.709 -5.234 1.00 0.00 C ATOM 851 CD GLU A 53 3.499 -10.112 -5.909 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.478 -9.967 -7.152 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.497 -9.830 -5.213 1.00 0.00 O ATOM 0 H GLU A 53 1.004 -9.906 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 53 2.428 -8.148 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.276 -10.221 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.971 -9.149 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.586 -11.168 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.881 -11.504 -5.862 1.00 0.00 H new ATOM 860 N ILE A 54 0.713 -6.462 -3.466 1.00 0.00 N ATOM 861 CA ILE A 54 -0.278 -5.446 -3.207 1.00 0.00 C ATOM 862 C ILE A 54 -1.185 -5.267 -4.425 1.00 0.00 C ATOM 863 O ILE A 54 -0.810 -4.621 -5.409 1.00 0.00 O ATOM 864 CB ILE A 54 0.412 -4.116 -2.863 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.362 -4.299 -1.672 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.613 -3.042 -2.579 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.994 -3.004 -1.208 1.00 0.00 C ATOM 0 H ILE A 54 1.672 -6.115 -3.494 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.889 -5.759 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 54 1.002 -3.798 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.813 -4.745 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.149 -5.001 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.105 -2.109 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.241 -2.897 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.234 -3.345 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.654 -3.203 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.570 -2.567 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.213 -2.307 -0.902 1.00 0.00 H new ATOM 879 N ASP A 55 -2.371 -5.853 -4.354 1.00 0.00 N ATOM 880 CA ASP A 55 -3.322 -5.803 -5.451 1.00 0.00 C ATOM 881 C ASP A 55 -4.245 -4.615 -5.298 1.00 0.00 C ATOM 882 O ASP A 55 -5.346 -4.738 -4.767 1.00 0.00 O ATOM 883 CB ASP A 55 -4.152 -7.084 -5.513 1.00 0.00 C ATOM 884 CG ASP A 55 -3.454 -8.221 -6.227 1.00 0.00 C ATOM 885 OD1 ASP A 55 -3.237 -8.117 -7.452 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.152 -9.242 -5.574 1.00 0.00 O ATOM 0 H ASP A 55 -2.698 -6.373 -3.540 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.756 -5.704 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.397 -7.398 -4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.095 -6.873 -6.018 1.00 0.00 H new ATOM 891 N PHE A 56 -3.799 -3.469 -5.784 1.00 0.00 N ATOM 892 CA PHE A 56 -4.549 -2.225 -5.652 1.00 0.00 C ATOM 893 C PHE A 56 -5.919 -2.313 -6.313 1.00 0.00 C ATOM 894 O PHE A 56 -6.817 -1.529 -6.010 1.00 0.00 O ATOM 895 CB PHE A 56 -3.754 -1.072 -6.248 1.00 0.00 C ATOM 896 CG PHE A 56 -2.441 -0.846 -5.561 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.404 -0.244 -4.321 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.252 -1.231 -6.149 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.220 -0.023 -3.674 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.053 -1.015 -5.501 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.041 -0.404 -4.260 1.00 0.00 C ATOM 0 H PHE A 56 -2.912 -3.371 -6.279 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.709 -2.047 -4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.575 -1.270 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.349 -0.160 -6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.328 0.059 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.261 -1.703 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.214 0.451 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.874 -1.322 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.896 -0.227 -3.753 1.00 0.00 H new ATOM 911 N GLU A 57 -6.072 -3.281 -7.196 1.00 0.00 N ATOM 912 CA GLU A 57 -7.314 -3.476 -7.913 1.00 0.00 C ATOM 913 C GLU A 57 -8.368 -4.123 -7.019 1.00 0.00 C ATOM 914 O GLU A 57 -9.564 -3.888 -7.188 1.00 0.00 O ATOM 915 CB GLU A 57 -7.053 -4.338 -9.148 1.00 0.00 C ATOM 916 CG GLU A 57 -6.132 -3.671 -10.159 1.00 0.00 C ATOM 917 CD GLU A 57 -6.737 -2.430 -10.784 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.071 -1.478 -10.048 1.00 0.00 O ATOM 919 OE2 GLU A 57 -6.875 -2.395 -12.025 1.00 0.00 O ATOM 0 H GLU A 57 -5.341 -3.951 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.699 -2.505 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.614 -5.286 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.003 -4.570 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.196 -3.404 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.888 -4.385 -10.946 1.00 0.00 H new ATOM 926 N THR A 58 -7.929 -4.925 -6.057 1.00 0.00 N ATOM 927 CA THR A 58 -8.855 -5.588 -5.156 1.00 0.00 C ATOM 928 C THR A 58 -8.869 -4.929 -3.780 1.00 0.00 C ATOM 929 O THR A 58 -9.868 -5.013 -3.066 1.00 0.00 O ATOM 930 CB THR A 58 -8.526 -7.084 -5.002 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.169 -7.248 -4.581 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.749 -7.826 -6.309 1.00 0.00 C ATOM 0 H THR A 58 -6.945 -5.129 -5.884 1.00 0.00 H new ATOM 0 HA THR A 58 -9.844 -5.490 -5.604 1.00 0.00 H new ATOM 0 HB THR A 58 -9.193 -7.502 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.970 -8.203 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.510 -8.881 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.792 -7.726 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.106 -7.404 -7.081 1.00 0.00 H new ATOM 940 N LEU A 59 -7.765 -4.262 -3.425 1.00 0.00 N ATOM 941 CA LEU A 59 -7.655 -3.567 -2.145 1.00 0.00 C ATOM 942 C LEU A 59 -8.835 -2.635 -1.929 1.00 0.00 C ATOM 943 O LEU A 59 -9.166 -1.827 -2.801 1.00 0.00 O ATOM 944 CB LEU A 59 -6.363 -2.772 -2.082 1.00 0.00 C ATOM 945 CG LEU A 59 -5.108 -3.627 -2.081 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.875 -2.769 -1.952 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.175 -4.649 -0.965 1.00 0.00 C ATOM 0 H LEU A 59 -6.934 -4.191 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.654 -4.320 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.326 -2.092 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.371 -2.157 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.047 -4.156 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.989 -3.403 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.826 -2.074 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.918 -2.208 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.270 -5.257 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.259 -4.136 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.044 -5.290 -1.111 1.00 0.00 H new ATOM 959 N LYS A 60 -9.487 -2.776 -0.784 1.00 0.00 N ATOM 960 CA LYS A 60 -10.593 -1.905 -0.421 1.00 0.00 C ATOM 961 C LYS A 60 -10.128 -0.456 -0.438 1.00 0.00 C ATOM 962 O LYS A 60 -8.997 -0.167 -0.043 1.00 0.00 O ATOM 963 CB LYS A 60 -11.114 -2.259 0.979 1.00 0.00 C ATOM 964 CG LYS A 60 -11.677 -3.662 1.092 1.00 0.00 C ATOM 965 CD LYS A 60 -12.039 -4.015 2.517 1.00 0.00 C ATOM 966 CE LYS A 60 -12.426 -5.479 2.634 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.652 -5.884 4.046 1.00 0.00 N ATOM 0 H LYS A 60 -9.267 -3.489 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.399 -2.041 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.302 -2.146 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.888 -1.544 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.562 -3.749 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.946 -4.377 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.194 -3.805 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.866 -3.389 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.331 -5.662 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.640 -6.098 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.346 -6.658 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.755 -6.206 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.013 -5.072 4.587 1.00 0.00 H new ATOM 981 N PRO A 61 -10.973 0.470 -0.932 1.00 0.00 N ATOM 982 CA PRO A 61 -10.700 1.905 -0.859 1.00 0.00 C ATOM 983 C PRO A 61 -10.209 2.316 0.522 1.00 0.00 C ATOM 984 O PRO A 61 -9.386 3.220 0.664 1.00 0.00 O ATOM 985 CB PRO A 61 -12.058 2.533 -1.151 1.00 0.00 C ATOM 986 CG PRO A 61 -12.738 1.558 -2.039 1.00 0.00 C ATOM 987 CD PRO A 61 -12.231 0.189 -1.647 1.00 0.00 C ATOM 0 HA PRO A 61 -9.916 2.216 -1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.625 2.696 -0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.950 3.503 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.820 1.618 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.517 1.768 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.944 -0.334 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.062 -0.440 -2.521 1.00 0.00 H new ATOM 995 N SER A 62 -10.719 1.624 1.530 1.00 0.00 N ATOM 996 CA SER A 62 -10.309 1.827 2.904 1.00 0.00 C ATOM 997 C SER A 62 -8.826 1.490 3.089 1.00 0.00 C ATOM 998 O SER A 62 -8.071 2.285 3.649 1.00 0.00 O ATOM 999 CB SER A 62 -11.169 0.954 3.810 1.00 0.00 C ATOM 1000 OG SER A 62 -12.549 1.126 3.526 1.00 0.00 O ATOM 0 H SER A 62 -11.432 0.904 1.413 1.00 0.00 H new ATOM 0 HA SER A 62 -10.445 2.876 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.895 -0.093 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.975 1.205 4.853 1.00 0.00 H new ATOM 0 HG SER A 62 -13.079 0.554 4.119 1.00 0.00 H new ATOM 1006 N THR A 63 -8.411 0.317 2.604 1.00 0.00 N ATOM 1007 CA THR A 63 -7.019 -0.102 2.698 1.00 0.00 C ATOM 1008 C THR A 63 -6.147 0.853 1.908 1.00 0.00 C ATOM 1009 O THR A 63 -5.139 1.322 2.406 1.00 0.00 O ATOM 1010 CB THR A 63 -6.806 -1.538 2.157 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.948 -2.347 2.474 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.551 -2.178 2.753 1.00 0.00 C ATOM 0 H THR A 63 -9.023 -0.356 2.143 1.00 0.00 H new ATOM 0 HA THR A 63 -6.745 -0.092 3.753 1.00 0.00 H new ATOM 0 HB THR A 63 -6.679 -1.476 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.989 -3.109 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.431 -3.185 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.679 -1.578 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.648 -2.228 3.838 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.571 1.166 0.691 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.807 2.032 -0.194 1.00 0.00 C ATOM 1022 C LEU A 64 -5.557 3.395 0.440 1.00 0.00 C ATOM 1023 O LEU A 64 -4.432 3.890 0.424 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.534 2.193 -1.525 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.684 0.913 -2.337 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.602 1.144 -3.518 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.325 0.429 -2.803 1.00 0.00 C ATOM 0 H LEU A 64 -7.448 0.829 0.293 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.838 1.564 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.526 2.601 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.999 2.927 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.127 0.144 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.700 0.221 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.584 1.455 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.185 1.923 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.444 -0.487 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.860 1.194 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.693 0.231 -1.937 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.599 3.995 1.005 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.454 5.277 1.679 1.00 0.00 C ATOM 1041 C ARG A 65 -5.551 5.133 2.900 1.00 0.00 C ATOM 1042 O ARG A 65 -4.820 6.054 3.253 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.817 5.836 2.080 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.675 6.284 0.901 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.089 7.499 0.197 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.840 7.854 -1.009 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.370 8.668 -1.959 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.215 9.298 -1.787 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.059 8.873 -3.074 1.00 0.00 N ATOM 0 H ARG A 65 -7.546 3.616 1.009 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.992 5.980 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.359 5.076 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.668 6.683 2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.770 5.464 0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.680 6.519 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.083 8.347 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.051 7.297 -0.069 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.772 7.459 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.683 9.162 -0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.859 9.919 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.956 8.407 -3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.692 9.496 -3.793 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.594 3.962 3.525 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.719 3.654 4.647 1.00 0.00 C ATOM 1065 C GLU A 66 -3.265 3.535 4.180 1.00 0.00 C ATOM 1066 O GLU A 66 -2.404 4.242 4.681 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.173 2.357 5.317 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.211 1.840 6.369 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.178 2.692 7.618 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.535 3.760 7.607 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.796 2.285 8.626 1.00 0.00 O ATOM 0 H GLU A 66 -6.230 3.207 3.271 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.777 4.466 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.147 2.519 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.306 1.592 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.491 0.822 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.209 1.792 5.943 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.013 2.633 3.225 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.684 2.452 2.621 1.00 0.00 C ATOM 1080 C LEU A 67 -1.071 3.811 2.272 1.00 0.00 C ATOM 1081 O LEU A 67 0.006 4.156 2.749 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.818 1.581 1.357 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.701 0.347 1.530 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.880 -0.364 0.213 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.109 -0.604 2.551 1.00 0.00 C ATOM 0 H LEU A 67 -3.724 2.006 2.847 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.025 1.955 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.224 2.192 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.824 1.260 1.045 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.675 0.680 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.512 -1.241 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.350 0.310 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.907 -0.676 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.757 -1.474 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.121 -0.924 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.023 -0.098 3.513 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.806 4.580 1.475 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.437 5.949 1.107 1.00 0.00 C ATOM 1099 C GLU A 68 -1.105 6.802 2.345 1.00 0.00 C ATOM 1100 O GLU A 68 0.029 7.229 2.537 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.595 6.553 0.343 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.363 7.977 -0.122 1.00 0.00 C ATOM 1103 CD GLU A 68 -1.079 8.215 -0.877 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -0.039 8.429 -0.231 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -1.136 8.287 -2.120 1.00 0.00 O ATOM 0 H GLU A 68 -2.685 4.270 1.060 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.539 5.928 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.806 5.930 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.483 6.530 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.197 8.273 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.378 8.632 0.749 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.094 7.026 3.203 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.907 7.836 4.413 1.00 0.00 C ATOM 1114 C ARG A 69 -0.791 7.290 5.293 1.00 0.00 C ATOM 1115 O ARG A 69 -0.122 8.035 6.010 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.205 7.881 5.203 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.150 8.995 4.782 1.00 0.00 C ATOM 1118 CD ARG A 69 -3.930 10.256 5.602 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.586 10.812 5.433 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.058 11.746 6.225 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -2.762 12.251 7.230 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.823 12.173 6.008 1.00 0.00 N ATOM 0 H ARG A 69 -3.039 6.659 3.087 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.624 8.841 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.717 6.925 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.970 7.999 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.003 9.217 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.181 8.661 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.668 11.005 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.097 10.033 6.656 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.018 10.463 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.713 11.925 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.352 12.965 7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.278 11.788 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.417 12.887 6.612 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.572 5.998 5.222 1.00 0.00 N ATOM 1137 CA TYR A 70 0.462 5.374 6.003 1.00 0.00 C ATOM 1138 C TYR A 70 1.826 5.767 5.465 1.00 0.00 C ATOM 1139 O TYR A 70 2.691 6.230 6.212 1.00 0.00 O ATOM 1140 CB TYR A 70 0.317 3.861 5.998 1.00 0.00 C ATOM 1141 CG TYR A 70 1.545 3.187 6.522 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.984 3.394 7.824 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.290 2.381 5.695 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.139 2.803 8.284 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.445 1.789 6.137 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.871 2.003 7.438 1.00 0.00 C ATOM 1147 OH TYR A 70 5.035 1.426 7.890 1.00 0.00 O ATOM 0 H TYR A 70 -1.100 5.359 4.628 1.00 0.00 H new ATOM 0 HA TYR A 70 0.366 5.720 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.542 3.576 6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.118 3.518 4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.411 4.028 8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.960 2.211 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.467 2.966 9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.020 1.159 5.474 1.00 0.00 H new ATOM 0 HH TYR A 70 5.409 0.852 7.189 1.00 0.00 H new ATOM 1157 N VAL A 71 2.014 5.610 4.165 1.00 0.00 N ATOM 1158 CA VAL A 71 3.285 5.949 3.563 1.00 0.00 C ATOM 1159 C VAL A 71 3.557 7.427 3.763 1.00 0.00 C ATOM 1160 O VAL A 71 4.689 7.823 3.974 1.00 0.00 O ATOM 1161 CB VAL A 71 3.350 5.636 2.056 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.857 4.241 1.747 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.583 6.652 1.253 1.00 0.00 C ATOM 0 H VAL A 71 1.311 5.255 3.517 1.00 0.00 H new ATOM 0 HA VAL A 71 4.038 5.333 4.056 1.00 0.00 H new ATOM 0 HB VAL A 71 4.400 5.689 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.920 4.062 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.474 3.512 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.821 4.141 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.648 6.403 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.538 6.647 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.006 7.642 1.420 1.00 0.00 H new ATOM 1173 N THR A 72 2.499 8.241 3.736 1.00 0.00 N ATOM 1174 CA THR A 72 2.667 9.677 3.827 1.00 0.00 C ATOM 1175 C THR A 72 3.269 10.069 5.166 1.00 0.00 C ATOM 1176 O THR A 72 3.946 11.085 5.275 1.00 0.00 O ATOM 1177 CB THR A 72 1.359 10.453 3.592 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.369 10.121 4.568 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.838 10.152 2.211 1.00 0.00 C ATOM 0 H THR A 72 1.532 7.927 3.653 1.00 0.00 H new ATOM 0 HA THR A 72 3.353 9.953 3.026 1.00 0.00 H new ATOM 0 HB THR A 72 1.573 11.518 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.688 9.374 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.089 10.701 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.578 10.454 1.469 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.647 9.083 2.119 1.00 0.00 H new ATOM 1187 N SER A 73 3.048 9.235 6.174 1.00 0.00 N ATOM 1188 CA SER A 73 3.619 9.473 7.488 1.00 0.00 C ATOM 1189 C SER A 73 5.138 9.278 7.433 1.00 0.00 C ATOM 1190 O SER A 73 5.885 9.872 8.210 1.00 0.00 O ATOM 1191 CB SER A 73 2.983 8.536 8.518 1.00 0.00 C ATOM 1192 OG SER A 73 3.510 7.222 8.431 1.00 0.00 O ATOM 0 H SER A 73 2.479 8.391 6.105 1.00 0.00 H new ATOM 0 HA SER A 73 3.412 10.499 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.152 8.930 9.520 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.904 8.506 8.365 1.00 0.00 H new ATOM 0 HG SER A 73 3.340 6.860 7.537 1.00 0.00 H new ATOM 1198 N CYS A 74 5.576 8.453 6.487 1.00 0.00 N ATOM 1199 CA CYS A 74 6.999 8.172 6.296 1.00 0.00 C ATOM 1200 C CYS A 74 7.589 9.010 5.159 1.00 0.00 C ATOM 1201 O CYS A 74 8.788 9.280 5.132 1.00 0.00 O ATOM 1202 CB CYS A 74 7.213 6.678 6.010 1.00 0.00 C ATOM 1203 SG CYS A 74 8.908 6.240 5.567 1.00 0.00 S ATOM 0 H CYS A 74 4.963 7.963 5.835 1.00 0.00 H new ATOM 0 HA CYS A 74 7.516 8.441 7.217 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.921 6.106 6.891 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.549 6.377 5.200 1.00 0.00 H new ATOM 0 HG CYS A 74 9.552 7.310 5.205 1.00 0.00 H new ATOM 1209 N LEU A 75 6.744 9.408 4.218 1.00 0.00 N ATOM 1210 CA LEU A 75 7.198 10.076 3.010 1.00 0.00 C ATOM 1211 C LEU A 75 6.985 11.583 3.082 1.00 0.00 C ATOM 1212 O LEU A 75 7.920 12.361 2.914 1.00 0.00 O ATOM 1213 CB LEU A 75 6.446 9.506 1.803 1.00 0.00 C ATOM 1214 CG LEU A 75 6.497 7.989 1.660 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.961 7.576 0.301 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.917 7.477 1.863 1.00 0.00 C ATOM 0 H LEU A 75 5.734 9.278 4.271 1.00 0.00 H new ATOM 0 HA LEU A 75 8.268 9.897 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.402 9.813 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.854 9.954 0.897 1.00 0.00 H new ATOM 0 HG LEU A 75 5.868 7.543 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.002 6.491 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.929 7.910 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.568 8.030 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.931 6.392 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.575 7.923 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.263 7.748 2.861 1.00 0.00 H new