USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.922 K(o=2.5,f=0.092) USER MOD Set 1.2: A 69 THR OG1 : rot 29:sc= 1.54 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -151:sc= 0.794 (180deg=0) USER MOD Set 2.2: A 45 GLN : amide:sc= 0.709 K(o=1.5,f=-1.7) USER MOD Set 3.1: A 40 SER OG : rot -66:sc= 1.86 USER MOD Set 3.2: A 43 THR OG1 : rot -170:sc= 1.04 USER MOD Set 4.1: A 26 THR OG1 : rot -84:sc= 1.35 USER MOD Set 4.2: A 68 TYR OH : rot 43:sc= 2.82 USER MOD Single : A 8 SER OG : rot -68:sc= 1.23 USER MOD Single : A 15 MET CE :methyl -167:sc= -0.405 (180deg=-0.92) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.014 (180deg=-0.172) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.223 (180deg=-0.808) USER MOD Single : A 21 HIS : no HD1:sc= -9.15! C(o=-9.1!,f=-13!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.31 USER MOD Single : A 23 SER OG : rot 2:sc= 0.252 USER MOD Single : A 25 ASN : amide:sc= -0.123 K(o=-0.12,f=-11!) USER MOD Single : A 27 ASN : amide:sc= 0.245! C(o=0.25!,f=-7.9!) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0133 (180deg=-0.227) USER MOD Single : A 34 SER OG : rot 73:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -76:sc= 0.977 USER MOD Single : A 37 SER OG : rot 3:sc= 0.174 USER MOD Single : A 38 THR OG1 : rot 60:sc= 0.294 USER MOD Single : A 46 THR OG1 : rot 76:sc= 1.18 USER MOD Single : A 47 MET CE :methyl 172:sc= -0.0122 (180deg=-0.161) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.081) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 0.0953 (180deg=0.0599) USER MOD Single : A 59 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.37) USER MOD Single : A 60 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.47) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc=-0.00282 (180deg=-0.065) USER MOD Single : A 71 ASN : amide:sc= 1.11 K(o=1.1,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 8 7.761 2.405 -6.438 1.00 0.00 N ATOM 134 CA SER A 8 8.129 1.708 -7.664 1.00 0.00 C ATOM 135 C SER A 8 6.869 1.096 -8.287 1.00 0.00 C ATOM 136 O SER A 8 5.849 0.979 -7.613 1.00 0.00 O ATOM 137 CB SER A 8 9.161 0.622 -7.337 1.00 0.00 C ATOM 138 OG SER A 8 8.625 -0.313 -6.419 1.00 0.00 O ATOM 0 HA SER A 8 8.572 2.402 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.462 0.111 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.058 1.079 -6.918 1.00 0.00 H new ATOM 0 HG SER A 8 8.498 0.119 -5.549 1.00 0.00 H new ATOM 144 N ASP A 9 6.929 0.665 -9.552 1.00 0.00 N ATOM 145 CA ASP A 9 5.785 0.063 -10.238 1.00 0.00 C ATOM 146 C ASP A 9 5.148 -1.068 -9.419 1.00 0.00 C ATOM 147 O ASP A 9 3.931 -1.127 -9.262 1.00 0.00 O ATOM 148 CB ASP A 9 6.212 -0.443 -11.618 1.00 0.00 C ATOM 149 CG ASP A 9 5.048 -1.127 -12.330 1.00 0.00 C ATOM 150 OD1 ASP A 9 4.228 -0.387 -12.915 1.00 0.00 O ATOM 151 OD2 ASP A 9 5.000 -2.374 -12.267 1.00 0.00 O ATOM 0 H ASP A 9 7.770 0.724 -10.126 1.00 0.00 H new ATOM 0 HA ASP A 9 5.025 0.835 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.573 0.391 -12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.041 -1.143 -11.513 1.00 0.00 H new ATOM 156 N ALA A 10 5.978 -1.967 -8.885 1.00 0.00 N ATOM 157 CA ALA A 10 5.502 -3.086 -8.085 1.00 0.00 C ATOM 158 C ALA A 10 4.653 -2.592 -6.910 1.00 0.00 C ATOM 159 O ALA A 10 3.580 -3.125 -6.642 1.00 0.00 O ATOM 160 CB ALA A 10 6.697 -3.916 -7.612 1.00 0.00 C ATOM 0 H ALA A 10 6.991 -1.936 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 10 4.861 -3.722 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.343 -4.755 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.243 -4.293 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.357 -3.292 -7.009 1.00 0.00 H new ATOM 166 N GLU A 11 5.123 -1.553 -6.219 1.00 0.00 N ATOM 167 CA GLU A 11 4.375 -0.951 -5.127 1.00 0.00 C ATOM 168 C GLU A 11 3.122 -0.257 -5.685 1.00 0.00 C ATOM 169 O GLU A 11 2.043 -0.342 -5.103 1.00 0.00 O ATOM 170 CB GLU A 11 5.277 0.039 -4.385 1.00 0.00 C ATOM 171 CG GLU A 11 6.432 -0.632 -3.633 1.00 0.00 C ATOM 172 CD GLU A 11 7.437 0.410 -3.151 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.148 0.945 -4.033 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.471 0.665 -1.928 1.00 0.00 O ATOM 0 H GLU A 11 6.024 -1.112 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 11 4.052 -1.717 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.686 0.753 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.674 0.607 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.043 -1.191 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.929 -1.350 -4.285 1.00 0.00 H new ATOM 181 N LEU A 12 3.255 0.433 -6.822 1.00 0.00 N ATOM 182 CA LEU A 12 2.157 1.141 -7.465 1.00 0.00 C ATOM 183 C LEU A 12 0.971 0.201 -7.681 1.00 0.00 C ATOM 184 O LEU A 12 -0.169 0.609 -7.491 1.00 0.00 O ATOM 185 CB LEU A 12 2.620 1.787 -8.778 1.00 0.00 C ATOM 186 CG LEU A 12 1.602 2.772 -9.373 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.425 4.014 -8.490 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.090 3.189 -10.765 1.00 0.00 C ATOM 0 H LEU A 12 4.140 0.513 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 12 1.826 1.946 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.560 2.311 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.823 1.003 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 12 0.632 2.278 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.697 4.684 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.072 3.712 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.380 4.529 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.380 3.889 -11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.066 3.667 -10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.172 2.308 -11.401 1.00 0.00 H new ATOM 200 N GLU A 13 1.222 -1.058 -8.056 1.00 0.00 N ATOM 201 CA GLU A 13 0.149 -2.035 -8.192 1.00 0.00 C ATOM 202 C GLU A 13 -0.653 -2.161 -6.892 1.00 0.00 C ATOM 203 O GLU A 13 -1.883 -2.097 -6.907 1.00 0.00 O ATOM 204 CB GLU A 13 0.734 -3.392 -8.584 1.00 0.00 C ATOM 205 CG GLU A 13 1.320 -3.384 -10.003 1.00 0.00 C ATOM 206 CD GLU A 13 0.242 -3.209 -11.069 1.00 0.00 C ATOM 207 OE1 GLU A 13 -0.508 -4.186 -11.282 1.00 0.00 O ATOM 208 OE2 GLU A 13 0.178 -2.100 -11.641 1.00 0.00 O ATOM 0 H GLU A 13 2.153 -1.417 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.530 -1.693 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.512 -3.669 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.043 -4.153 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.049 -2.578 -10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.855 -4.317 -10.179 1.00 0.00 H new ATOM 215 N VAL A 14 0.033 -2.342 -5.758 1.00 0.00 N ATOM 216 CA VAL A 14 -0.655 -2.498 -4.482 1.00 0.00 C ATOM 217 C VAL A 14 -1.408 -1.213 -4.158 1.00 0.00 C ATOM 218 O VAL A 14 -2.554 -1.268 -3.722 1.00 0.00 O ATOM 219 CB VAL A 14 0.269 -2.999 -3.349 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.383 -3.894 -3.902 1.00 0.00 C ATOM 221 CG2 VAL A 14 0.876 -1.923 -2.435 1.00 0.00 C ATOM 0 H VAL A 14 1.051 -2.383 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.390 -3.297 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.405 -3.565 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.018 -4.232 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.942 -4.758 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.982 -3.330 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.504 -2.398 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.479 -1.238 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.076 -1.369 -1.944 1.00 0.00 H new ATOM 231 N MET A 15 -0.793 -0.054 -4.404 1.00 0.00 N ATOM 232 CA MET A 15 -1.466 1.213 -4.195 1.00 0.00 C ATOM 233 C MET A 15 -2.746 1.272 -5.022 1.00 0.00 C ATOM 234 O MET A 15 -3.790 1.615 -4.488 1.00 0.00 O ATOM 235 CB MET A 15 -0.533 2.349 -4.578 1.00 0.00 C ATOM 236 CG MET A 15 0.661 2.386 -3.632 1.00 0.00 C ATOM 237 SD MET A 15 0.385 3.145 -2.006 1.00 0.00 S ATOM 238 CE MET A 15 -0.308 4.755 -2.437 1.00 0.00 C ATOM 0 H MET A 15 0.165 0.025 -4.746 1.00 0.00 H new ATOM 0 HA MET A 15 -1.734 1.311 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.190 2.218 -5.604 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.068 3.298 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.005 1.363 -3.477 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.471 2.923 -4.126 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.305 5.399 -1.558 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.293 5.211 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.331 4.628 -2.790 1.00 0.00 H new ATOM 248 N LYS A 16 -2.677 0.928 -6.311 1.00 0.00 N ATOM 249 CA LYS A 16 -3.831 0.912 -7.198 1.00 0.00 C ATOM 250 C LYS A 16 -4.919 0.015 -6.607 1.00 0.00 C ATOM 251 O LYS A 16 -6.069 0.439 -6.518 1.00 0.00 O ATOM 252 CB LYS A 16 -3.402 0.478 -8.607 1.00 0.00 C ATOM 253 CG LYS A 16 -4.504 0.676 -9.656 1.00 0.00 C ATOM 254 CD LYS A 16 -4.744 2.159 -9.979 1.00 0.00 C ATOM 255 CE LYS A 16 -5.768 2.342 -11.105 1.00 0.00 C ATOM 256 NZ LYS A 16 -5.282 1.807 -12.390 1.00 0.00 N ATOM 0 H LYS A 16 -1.808 0.651 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.252 1.913 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.520 1.045 -8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.113 -0.573 -8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.232 0.147 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.431 0.231 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.094 2.673 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.801 2.625 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.698 1.842 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.997 3.402 -11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.896 2.141 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.309 2.134 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.298 0.768 -12.361 1.00 0.00 H new ATOM 270 N VAL A 17 -4.573 -1.202 -6.174 1.00 0.00 N ATOM 271 CA VAL A 17 -5.540 -2.086 -5.524 1.00 0.00 C ATOM 272 C VAL A 17 -6.164 -1.358 -4.323 1.00 0.00 C ATOM 273 O VAL A 17 -7.386 -1.282 -4.196 1.00 0.00 O ATOM 274 CB VAL A 17 -4.862 -3.419 -5.142 1.00 0.00 C ATOM 275 CG1 VAL A 17 -5.718 -4.293 -4.214 1.00 0.00 C ATOM 276 CG2 VAL A 17 -4.560 -4.231 -6.408 1.00 0.00 C ATOM 0 H VAL A 17 -3.635 -1.594 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.352 -2.337 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.950 -3.151 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.182 -5.214 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.921 -3.752 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.660 -4.534 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.082 -5.171 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.490 -4.439 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.894 -3.661 -7.055 1.00 0.00 H new ATOM 286 N ILE A 18 -5.325 -0.777 -3.463 1.00 0.00 N ATOM 287 CA ILE A 18 -5.775 -0.067 -2.273 1.00 0.00 C ATOM 288 C ILE A 18 -6.517 1.232 -2.652 1.00 0.00 C ATOM 289 O ILE A 18 -7.256 1.771 -1.844 1.00 0.00 O ATOM 290 CB ILE A 18 -4.603 0.100 -1.274 1.00 0.00 C ATOM 291 CG1 ILE A 18 -4.051 -1.294 -0.897 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.012 0.806 0.035 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.682 -1.251 -0.218 1.00 0.00 C ATOM 0 H ILE A 18 -4.311 -0.788 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.521 -0.657 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.858 0.718 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.760 -1.788 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.980 -1.903 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.144 0.890 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.393 1.802 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.788 0.226 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.360 -2.266 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.958 -0.786 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.750 -0.670 0.702 1.00 0.00 H new ATOM 305 N TRP A 19 -6.359 1.762 -3.864 1.00 0.00 N ATOM 306 CA TRP A 19 -7.078 2.925 -4.349 1.00 0.00 C ATOM 307 C TRP A 19 -8.433 2.507 -4.938 1.00 0.00 C ATOM 308 O TRP A 19 -9.399 3.261 -4.871 1.00 0.00 O ATOM 309 CB TRP A 19 -6.173 3.660 -5.353 1.00 0.00 C ATOM 310 CG TRP A 19 -5.366 4.809 -4.811 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.793 5.715 -3.899 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.986 5.186 -5.117 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.767 6.574 -3.569 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.633 6.294 -4.295 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.997 4.725 -6.014 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.362 6.877 -4.320 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.729 5.337 -6.082 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.396 6.390 -5.212 1.00 0.00 C ATOM 0 H TRP A 19 -5.708 1.379 -4.550 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.311 3.614 -3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.485 2.935 -5.787 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.797 4.034 -6.165 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.792 5.758 -3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.839 7.320 -2.877 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.216 3.888 -6.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.126 7.696 -3.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.007 4.994 -6.809 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.405 6.820 -5.231 1.00 0.00 H new ATOM 329 N LYS A 20 -8.501 1.307 -5.521 1.00 0.00 N ATOM 330 CA LYS A 20 -9.693 0.737 -6.137 1.00 0.00 C ATOM 331 C LYS A 20 -10.709 0.244 -5.093 1.00 0.00 C ATOM 332 O LYS A 20 -11.902 0.166 -5.380 1.00 0.00 O ATOM 333 CB LYS A 20 -9.221 -0.408 -7.052 1.00 0.00 C ATOM 334 CG LYS A 20 -10.321 -1.141 -7.829 1.00 0.00 C ATOM 335 CD LYS A 20 -11.206 -0.255 -8.722 1.00 0.00 C ATOM 336 CE LYS A 20 -10.451 0.454 -9.857 1.00 0.00 C ATOM 337 NZ LYS A 20 -9.822 1.715 -9.422 1.00 0.00 N ATOM 0 H LYS A 20 -7.694 0.686 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.218 1.500 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.505 -0.004 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.686 -1.137 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.854 -1.903 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.961 -1.661 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.995 -0.870 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.692 0.497 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.684 -0.213 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.142 0.661 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.735 2.358 -10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.409 2.161 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.877 1.516 -9.035 1.00 0.00 H new ATOM 351 N HIS A 21 -10.225 -0.143 -3.912 1.00 0.00 N ATOM 352 CA HIS A 21 -11.014 -0.704 -2.817 1.00 0.00 C ATOM 353 C HIS A 21 -12.013 0.286 -2.173 1.00 0.00 C ATOM 354 O HIS A 21 -12.174 1.414 -2.636 1.00 0.00 O ATOM 355 CB HIS A 21 -9.998 -1.245 -1.790 1.00 0.00 C ATOM 356 CG HIS A 21 -9.380 -0.222 -0.857 1.00 0.00 C ATOM 357 ND1 HIS A 21 -9.876 1.069 -0.699 1.00 0.00 N ATOM 358 CD2 HIS A 21 -8.335 -0.370 0.011 1.00 0.00 C ATOM 359 CE1 HIS A 21 -9.129 1.639 0.240 1.00 0.00 C ATOM 360 NE2 HIS A 21 -8.228 0.787 0.754 1.00 0.00 N ATOM 0 H HIS A 21 -9.233 -0.071 -3.684 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.660 -1.491 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.493 -2.005 -1.186 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.195 -1.743 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.703 -1.241 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.234 2.667 0.553 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -7.594 0.960 1.534 1.00 0.00 H new ATOM 368 N SER A 22 -12.680 -0.140 -1.086 1.00 0.00 N ATOM 369 CA SER A 22 -13.460 0.735 -0.205 1.00 0.00 C ATOM 370 C SER A 22 -12.546 1.038 0.994 1.00 0.00 C ATOM 371 O SER A 22 -12.222 2.181 1.308 1.00 0.00 O ATOM 372 CB SER A 22 -14.709 -0.040 0.224 1.00 0.00 C ATOM 373 OG SER A 22 -14.341 -1.373 0.550 1.00 0.00 O ATOM 0 H SER A 22 -12.690 -1.117 -0.794 1.00 0.00 H new ATOM 0 HA SER A 22 -13.779 1.665 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.174 0.443 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.446 -0.039 -0.579 1.00 0.00 H new ATOM 0 HG SER A 22 -15.137 -1.874 0.827 1.00 0.00 H new ATOM 379 N SER A 23 -12.165 -0.022 1.706 1.00 0.00 N ATOM 380 CA SER A 23 -10.916 -0.092 2.441 1.00 0.00 C ATOM 381 C SER A 23 -10.354 -1.464 2.021 1.00 0.00 C ATOM 382 O SER A 23 -10.933 -2.079 1.125 1.00 0.00 O ATOM 383 CB SER A 23 -11.220 0.043 3.931 1.00 0.00 C ATOM 384 OG SER A 23 -11.748 1.336 4.158 1.00 0.00 O ATOM 0 H SER A 23 -12.730 -0.868 1.786 1.00 0.00 H new ATOM 0 HA SER A 23 -10.190 0.695 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.933 -0.719 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.315 -0.107 4.519 1.00 0.00 H new ATOM 0 HG SER A 23 -11.824 1.813 3.305 1.00 0.00 H new ATOM 390 N ILE A 24 -9.382 -2.062 2.713 1.00 0.00 N ATOM 391 CA ILE A 24 -9.035 -3.474 2.554 1.00 0.00 C ATOM 392 C ILE A 24 -8.355 -3.929 3.841 1.00 0.00 C ATOM 393 O ILE A 24 -7.697 -3.080 4.446 1.00 0.00 O ATOM 394 CB ILE A 24 -8.249 -3.739 1.257 1.00 0.00 C ATOM 395 CG1 ILE A 24 -8.276 -5.224 0.871 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.809 -3.242 1.360 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.908 -5.450 -0.600 1.00 0.00 C ATOM 0 H ILE A 24 -8.810 -1.576 3.404 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.926 -4.087 2.418 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.747 -3.175 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.582 -5.775 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.270 -5.628 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.286 -3.446 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.807 -2.169 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.304 -3.756 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.941 -6.516 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.618 -4.923 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.903 -5.072 -0.786 1.00 0.00 H new ATOM 409 N ASN A 25 -8.432 -5.206 4.237 1.00 0.00 N ATOM 410 CA ASN A 25 -7.647 -5.717 5.367 1.00 0.00 C ATOM 411 C ASN A 25 -6.463 -6.536 4.862 1.00 0.00 C ATOM 412 O ASN A 25 -6.445 -6.943 3.705 1.00 0.00 O ATOM 413 CB ASN A 25 -8.482 -6.504 6.380 1.00 0.00 C ATOM 414 CG ASN A 25 -8.999 -7.843 5.858 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.236 -8.657 5.344 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.292 -8.105 6.010 1.00 0.00 N ATOM 0 H ASN A 25 -9.029 -5.903 3.792 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.271 -4.849 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.879 -6.682 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.331 -5.894 6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.672 -8.998 5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.906 -7.413 6.440 1.00 0.00 H new ATOM 423 N THR A 26 -5.482 -6.803 5.727 1.00 0.00 N ATOM 424 CA THR A 26 -4.279 -7.546 5.356 1.00 0.00 C ATOM 425 C THR A 26 -4.569 -8.901 4.701 1.00 0.00 C ATOM 426 O THR A 26 -3.883 -9.281 3.756 1.00 0.00 O ATOM 427 CB THR A 26 -3.354 -7.715 6.574 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.523 -6.663 7.506 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.886 -7.795 6.148 1.00 0.00 C ATOM 0 H THR A 26 -5.501 -6.510 6.704 1.00 0.00 H new ATOM 0 HA THR A 26 -3.774 -6.949 4.597 1.00 0.00 H new ATOM 0 HB THR A 26 -3.633 -8.652 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.981 -5.894 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.257 -7.914 7.030 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.746 -8.648 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.608 -6.880 5.626 1.00 0.00 H new ATOM 437 N ASN A 27 -5.566 -9.648 5.181 1.00 0.00 N ATOM 438 CA ASN A 27 -5.872 -10.952 4.600 1.00 0.00 C ATOM 439 C ASN A 27 -6.287 -10.769 3.143 1.00 0.00 C ATOM 440 O ASN A 27 -5.808 -11.486 2.266 1.00 0.00 O ATOM 441 CB ASN A 27 -6.983 -11.642 5.403 1.00 0.00 C ATOM 442 CG ASN A 27 -7.151 -13.134 5.115 1.00 0.00 C ATOM 443 OD1 ASN A 27 -7.666 -13.847 5.973 1.00 0.00 O ATOM 444 ND2 ASN A 27 -6.746 -13.637 3.949 1.00 0.00 N ATOM 0 H ASN A 27 -6.166 -9.375 5.959 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.987 -11.587 4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.778 -11.512 6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.927 -11.138 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.861 -14.632 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.321 -13.027 3.251 1.00 0.00 H new ATOM 451 N GLU A 28 -7.195 -9.822 2.912 1.00 0.00 N ATOM 452 CA GLU A 28 -7.714 -9.490 1.598 1.00 0.00 C ATOM 453 C GLU A 28 -6.595 -8.959 0.698 1.00 0.00 C ATOM 454 O GLU A 28 -6.460 -9.391 -0.443 1.00 0.00 O ATOM 455 CB GLU A 28 -8.818 -8.442 1.768 1.00 0.00 C ATOM 456 CG GLU A 28 -10.032 -8.942 2.522 1.00 0.00 C ATOM 457 CD GLU A 28 -11.012 -7.834 2.909 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.538 -6.703 3.161 1.00 0.00 O ATOM 459 OE2 GLU A 28 -12.220 -8.146 2.965 1.00 0.00 O ATOM 0 H GLU A 28 -7.597 -9.253 3.657 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.123 -10.381 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.408 -7.579 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.132 -8.097 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.552 -9.678 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.702 -9.456 3.425 1.00 0.00 H new ATOM 466 N VAL A 29 -5.798 -8.015 1.205 1.00 0.00 N ATOM 467 CA VAL A 29 -4.720 -7.391 0.450 1.00 0.00 C ATOM 468 C VAL A 29 -3.700 -8.449 0.026 1.00 0.00 C ATOM 469 O VAL A 29 -3.338 -8.523 -1.148 1.00 0.00 O ATOM 470 CB VAL A 29 -4.126 -6.201 1.244 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.831 -6.486 2.007 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.818 -5.009 0.339 1.00 0.00 C ATOM 0 H VAL A 29 -5.887 -7.663 2.158 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.101 -6.959 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.917 -5.993 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.508 -5.583 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.004 -7.279 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.057 -6.799 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.403 -4.197 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.096 -5.306 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.735 -4.672 -0.144 1.00 0.00 H new ATOM 482 N ILE A 30 -3.263 -9.293 0.970 1.00 0.00 N ATOM 483 CA ILE A 30 -2.300 -10.338 0.674 1.00 0.00 C ATOM 484 C ILE A 30 -2.912 -11.304 -0.333 1.00 0.00 C ATOM 485 O ILE A 30 -2.255 -11.621 -1.320 1.00 0.00 O ATOM 486 CB ILE A 30 -1.761 -11.000 1.959 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.842 -9.978 2.660 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.971 -12.278 1.636 1.00 0.00 C ATOM 489 CD1 ILE A 30 -0.202 -10.481 3.954 1.00 0.00 C ATOM 0 H ILE A 30 -3.567 -9.265 1.943 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.412 -9.912 0.207 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.593 -11.284 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.052 -9.686 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.420 -9.081 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.604 -12.722 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.621 -12.988 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.127 -12.031 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.427 -9.698 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.983 -10.745 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.407 -11.359 3.741 1.00 0.00 H new ATOM 501 N LYS A 31 -4.154 -11.753 -0.120 1.00 0.00 N ATOM 502 CA LYS A 31 -4.825 -12.638 -1.063 1.00 0.00 C ATOM 503 C LYS A 31 -4.794 -12.030 -2.472 1.00 0.00 C ATOM 504 O LYS A 31 -4.285 -12.651 -3.408 1.00 0.00 O ATOM 505 CB LYS A 31 -6.257 -12.900 -0.567 1.00 0.00 C ATOM 506 CG LYS A 31 -7.078 -13.840 -1.457 1.00 0.00 C ATOM 507 CD LYS A 31 -6.459 -15.243 -1.516 1.00 0.00 C ATOM 508 CE LYS A 31 -7.361 -16.227 -2.272 1.00 0.00 C ATOM 509 NZ LYS A 31 -8.639 -16.462 -1.576 1.00 0.00 N ATOM 0 H LYS A 31 -4.711 -11.514 0.700 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.307 -13.595 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.208 -13.322 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.780 -11.947 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.097 -13.907 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.141 -13.427 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.486 -15.192 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.289 -15.609 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.560 -15.840 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.837 -17.175 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.101 -17.305 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.460 -16.610 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.259 -15.637 -1.701 1.00 0.00 H new ATOM 523 N GLU A 32 -5.319 -10.807 -2.608 1.00 0.00 N ATOM 524 CA GLU A 32 -5.404 -10.091 -3.868 1.00 0.00 C ATOM 525 C GLU A 32 -4.040 -10.019 -4.554 1.00 0.00 C ATOM 526 O GLU A 32 -3.877 -10.494 -5.681 1.00 0.00 O ATOM 527 CB GLU A 32 -5.977 -8.683 -3.622 1.00 0.00 C ATOM 528 CG GLU A 32 -6.280 -7.932 -4.923 1.00 0.00 C ATOM 529 CD GLU A 32 -7.323 -8.644 -5.778 1.00 0.00 C ATOM 530 OE1 GLU A 32 -8.499 -8.642 -5.355 1.00 0.00 O ATOM 531 OE2 GLU A 32 -6.924 -9.185 -6.831 1.00 0.00 O ATOM 0 H GLU A 32 -5.703 -10.283 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.073 -10.632 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.891 -8.765 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.267 -8.105 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.633 -6.928 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.360 -7.819 -5.497 1.00 0.00 H new ATOM 538 N LEU A 33 -3.055 -9.412 -3.886 1.00 0.00 N ATOM 539 CA LEU A 33 -1.750 -9.237 -4.500 1.00 0.00 C ATOM 540 C LEU A 33 -1.071 -10.574 -4.778 1.00 0.00 C ATOM 541 O LEU A 33 -0.502 -10.726 -5.851 1.00 0.00 O ATOM 542 CB LEU A 33 -0.858 -8.264 -3.717 1.00 0.00 C ATOM 543 CG LEU A 33 -1.105 -6.772 -4.014 1.00 0.00 C ATOM 544 CD1 LEU A 33 -1.155 -6.438 -5.513 1.00 0.00 C ATOM 545 CD2 LEU A 33 -2.367 -6.247 -3.326 1.00 0.00 C ATOM 0 H LEU A 33 -3.139 -9.042 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.916 -8.768 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.006 -8.436 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.185 -8.495 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.235 -6.263 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.332 -5.370 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.206 -6.707 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.962 -6.999 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.499 -5.192 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.233 -6.809 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.269 -6.365 -2.247 1.00 0.00 H new ATOM 557 N SER A 34 -1.147 -11.553 -3.873 1.00 0.00 N ATOM 558 CA SER A 34 -0.536 -12.857 -4.115 1.00 0.00 C ATOM 559 C SER A 34 -1.116 -13.502 -5.377 1.00 0.00 C ATOM 560 O SER A 34 -0.388 -14.115 -6.152 1.00 0.00 O ATOM 561 CB SER A 34 -0.714 -13.788 -2.912 1.00 0.00 C ATOM 562 OG SER A 34 -0.138 -13.226 -1.750 1.00 0.00 O ATOM 0 H SER A 34 -1.622 -11.467 -2.974 1.00 0.00 H new ATOM 0 HA SER A 34 0.532 -12.698 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.775 -13.973 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.252 -14.753 -3.122 1.00 0.00 H new ATOM 0 HG SER A 34 -0.696 -12.485 -1.434 1.00 0.00 H new ATOM 568 N LYS A 35 -2.434 -13.394 -5.577 1.00 0.00 N ATOM 569 CA LYS A 35 -3.062 -13.951 -6.766 1.00 0.00 C ATOM 570 C LYS A 35 -2.659 -13.173 -8.021 1.00 0.00 C ATOM 571 O LYS A 35 -2.333 -13.777 -9.041 1.00 0.00 O ATOM 572 CB LYS A 35 -4.589 -13.967 -6.602 1.00 0.00 C ATOM 573 CG LYS A 35 -5.073 -15.014 -5.586 1.00 0.00 C ATOM 574 CD LYS A 35 -4.903 -16.448 -6.112 1.00 0.00 C ATOM 575 CE LYS A 35 -5.549 -17.458 -5.160 1.00 0.00 C ATOM 576 NZ LYS A 35 -5.356 -18.840 -5.634 1.00 0.00 N ATOM 0 H LYS A 35 -3.076 -12.930 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.713 -14.977 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.925 -12.980 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.051 -14.167 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.516 -14.901 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.123 -14.835 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.355 -16.533 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.843 -16.675 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.119 -17.349 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.615 -17.247 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.805 -19.501 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.788 -18.948 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.339 -19.047 -5.695 1.00 0.00 H new ATOM 590 N THR A 36 -2.695 -11.840 -7.967 1.00 0.00 N ATOM 591 CA THR A 36 -2.420 -11.018 -9.142 1.00 0.00 C ATOM 592 C THR A 36 -0.927 -10.886 -9.471 1.00 0.00 C ATOM 593 O THR A 36 -0.583 -10.544 -10.603 1.00 0.00 O ATOM 594 CB THR A 36 -3.114 -9.655 -9.009 1.00 0.00 C ATOM 595 OG1 THR A 36 -2.799 -9.043 -7.779 1.00 0.00 O ATOM 596 CG2 THR A 36 -4.635 -9.816 -9.091 1.00 0.00 C ATOM 0 H THR A 36 -2.912 -11.310 -7.123 1.00 0.00 H new ATOM 0 HA THR A 36 -2.842 -11.539 -10.001 1.00 0.00 H new ATOM 0 HB THR A 36 -2.759 -9.030 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.302 -9.478 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.110 -8.840 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.903 -10.257 -10.051 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.976 -10.466 -8.285 1.00 0.00 H new ATOM 604 N SER A 37 -0.020 -11.079 -8.511 1.00 0.00 N ATOM 605 CA SER A 37 1.418 -11.003 -8.730 1.00 0.00 C ATOM 606 C SER A 37 2.143 -11.992 -7.817 1.00 0.00 C ATOM 607 O SER A 37 1.819 -12.108 -6.638 1.00 0.00 O ATOM 608 CB SER A 37 1.886 -9.564 -8.511 1.00 0.00 C ATOM 609 OG SER A 37 1.344 -8.727 -9.516 1.00 0.00 O ATOM 0 H SER A 37 -0.272 -11.295 -7.547 1.00 0.00 H new ATOM 0 HA SER A 37 1.656 -11.282 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.573 -9.216 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.975 -9.518 -8.534 1.00 0.00 H new ATOM 0 HG SER A 37 0.751 -9.251 -10.094 1.00 0.00 H new ATOM 615 N THR A 38 3.152 -12.690 -8.342 1.00 0.00 N ATOM 616 CA THR A 38 3.909 -13.689 -7.606 1.00 0.00 C ATOM 617 C THR A 38 4.848 -13.025 -6.593 1.00 0.00 C ATOM 618 O THR A 38 6.062 -13.006 -6.797 1.00 0.00 O ATOM 619 CB THR A 38 4.682 -14.536 -8.625 1.00 0.00 C ATOM 620 OG1 THR A 38 5.415 -13.665 -9.461 1.00 0.00 O ATOM 621 CG2 THR A 38 3.736 -15.371 -9.494 1.00 0.00 C ATOM 0 H THR A 38 3.466 -12.571 -9.305 1.00 0.00 H new ATOM 0 HA THR A 38 3.238 -14.329 -7.032 1.00 0.00 H new ATOM 0 HB THR A 38 5.340 -15.217 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.036 -13.136 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.318 -15.958 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.155 -16.040 -8.860 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.061 -14.709 -10.037 1.00 0.00 H new ATOM 629 N TRP A 39 4.281 -12.466 -5.524 1.00 0.00 N ATOM 630 CA TRP A 39 4.968 -11.822 -4.422 1.00 0.00 C ATOM 631 C TRP A 39 4.569 -12.557 -3.146 1.00 0.00 C ATOM 632 O TRP A 39 3.416 -12.962 -3.007 1.00 0.00 O ATOM 633 CB TRP A 39 4.535 -10.356 -4.382 1.00 0.00 C ATOM 634 CG TRP A 39 4.926 -9.517 -5.561 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.004 -9.707 -6.357 1.00 0.00 C ATOM 636 CD2 TRP A 39 4.239 -8.352 -6.101 1.00 0.00 C ATOM 637 NE1 TRP A 39 6.017 -8.769 -7.366 1.00 0.00 N ATOM 638 CE2 TRP A 39 4.944 -7.910 -7.260 1.00 0.00 C ATOM 639 CE3 TRP A 39 3.084 -7.628 -5.736 1.00 0.00 C ATOM 640 CZ2 TRP A 39 4.512 -6.824 -8.032 1.00 0.00 C ATOM 641 CZ3 TRP A 39 2.644 -6.534 -6.502 1.00 0.00 C ATOM 642 CH2 TRP A 39 3.345 -6.144 -7.656 1.00 0.00 C ATOM 0 H TRP A 39 3.268 -12.454 -5.404 1.00 0.00 H new ATOM 0 HA TRP A 39 6.052 -11.857 -4.531 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.450 -10.322 -4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.952 -9.900 -3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.745 -10.481 -6.221 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.728 -8.717 -8.096 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.530 -7.918 -4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.070 -6.515 -8.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.761 -5.990 -6.201 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.984 -5.320 -8.254 1.00 0.00 H new ATOM 653 N SER A 40 5.512 -12.764 -2.224 1.00 0.00 N ATOM 654 CA SER A 40 5.218 -13.494 -1.001 1.00 0.00 C ATOM 655 C SER A 40 4.433 -12.610 -0.026 1.00 0.00 C ATOM 656 O SER A 40 4.460 -11.383 -0.158 1.00 0.00 O ATOM 657 CB SER A 40 6.534 -13.972 -0.370 1.00 0.00 C ATOM 658 OG SER A 40 7.259 -12.885 0.181 1.00 0.00 O ATOM 0 H SER A 40 6.475 -12.438 -2.304 1.00 0.00 H new ATOM 0 HA SER A 40 4.600 -14.361 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.323 -14.705 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.141 -14.474 -1.123 1.00 0.00 H new ATOM 0 HG SER A 40 7.547 -12.285 -0.539 1.00 0.00 H new ATOM 664 N PRO A 41 3.771 -13.200 0.984 1.00 0.00 N ATOM 665 CA PRO A 41 3.144 -12.438 2.051 1.00 0.00 C ATOM 666 C PRO A 41 4.146 -11.438 2.630 1.00 0.00 C ATOM 667 O PRO A 41 3.815 -10.274 2.825 1.00 0.00 O ATOM 668 CB PRO A 41 2.703 -13.484 3.079 1.00 0.00 C ATOM 669 CG PRO A 41 2.389 -14.683 2.201 1.00 0.00 C ATOM 670 CD PRO A 41 3.498 -14.621 1.152 1.00 0.00 C ATOM 0 HA PRO A 41 2.292 -11.847 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.490 -13.703 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.832 -13.156 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.414 -15.616 2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.399 -14.609 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.387 -15.158 1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.181 -15.077 0.214 1.00 0.00 H new ATOM 678 N LYS A 42 5.388 -11.882 2.860 1.00 0.00 N ATOM 679 CA LYS A 42 6.449 -11.027 3.369 1.00 0.00 C ATOM 680 C LYS A 42 6.730 -9.880 2.393 1.00 0.00 C ATOM 681 O LYS A 42 6.891 -8.737 2.819 1.00 0.00 O ATOM 682 CB LYS A 42 7.705 -11.861 3.658 1.00 0.00 C ATOM 683 CG LYS A 42 8.838 -11.054 4.318 1.00 0.00 C ATOM 684 CD LYS A 42 8.428 -10.285 5.585 1.00 0.00 C ATOM 685 CE LYS A 42 7.869 -11.203 6.680 1.00 0.00 C ATOM 686 NZ LYS A 42 7.393 -10.426 7.837 1.00 0.00 N ATOM 0 H LYS A 42 5.678 -12.846 2.696 1.00 0.00 H new ATOM 0 HA LYS A 42 6.129 -10.577 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.437 -12.694 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.070 -12.289 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.651 -11.735 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.231 -10.344 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.292 -9.747 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.678 -9.538 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.049 -11.797 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.641 -11.902 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.485 -10.998 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.962 -9.561 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.395 -10.170 7.696 1.00 0.00 H new ATOM 700 N THR A 43 6.800 -10.166 1.088 1.00 0.00 N ATOM 701 CA THR A 43 7.010 -9.127 0.082 1.00 0.00 C ATOM 702 C THR A 43 5.918 -8.061 0.226 1.00 0.00 C ATOM 703 O THR A 43 6.204 -6.870 0.351 1.00 0.00 O ATOM 704 CB THR A 43 6.991 -9.730 -1.335 1.00 0.00 C ATOM 705 OG1 THR A 43 7.907 -10.797 -1.461 1.00 0.00 O ATOM 706 CG2 THR A 43 7.332 -8.691 -2.404 1.00 0.00 C ATOM 0 H THR A 43 6.714 -11.108 0.707 1.00 0.00 H new ATOM 0 HA THR A 43 7.987 -8.669 0.237 1.00 0.00 H new ATOM 0 HB THR A 43 5.974 -10.093 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.985 -11.052 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.307 -9.160 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.604 -7.881 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.329 -8.291 -2.218 1.00 0.00 H new ATOM 714 N ILE A 44 4.659 -8.503 0.235 1.00 0.00 N ATOM 715 CA ILE A 44 3.507 -7.616 0.334 1.00 0.00 C ATOM 716 C ILE A 44 3.582 -6.811 1.640 1.00 0.00 C ATOM 717 O ILE A 44 3.395 -5.595 1.631 1.00 0.00 O ATOM 718 CB ILE A 44 2.214 -8.429 0.137 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.204 -9.033 -1.285 1.00 0.00 C ATOM 720 CG2 ILE A 44 0.983 -7.531 0.329 1.00 0.00 C ATOM 721 CD1 ILE A 44 1.270 -10.238 -1.422 1.00 0.00 C ATOM 0 H ILE A 44 4.413 -9.491 0.173 1.00 0.00 H new ATOM 0 HA ILE A 44 3.507 -6.871 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 44 2.179 -9.229 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.902 -8.265 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.217 -9.334 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.077 -8.120 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.990 -7.114 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.007 -6.720 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.310 -10.615 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.585 -11.022 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.250 -9.936 -1.186 1.00 0.00 H new ATOM 733 N GLN A 45 3.896 -7.469 2.759 1.00 0.00 N ATOM 734 CA GLN A 45 4.086 -6.809 4.045 1.00 0.00 C ATOM 735 C GLN A 45 5.172 -5.736 3.935 1.00 0.00 C ATOM 736 O GLN A 45 5.001 -4.638 4.457 1.00 0.00 O ATOM 737 CB GLN A 45 4.438 -7.843 5.119 1.00 0.00 C ATOM 738 CG GLN A 45 3.231 -8.724 5.466 1.00 0.00 C ATOM 739 CD GLN A 45 3.652 -10.000 6.190 1.00 0.00 C ATOM 740 OE1 GLN A 45 4.712 -10.059 6.806 1.00 0.00 O ATOM 741 NE2 GLN A 45 2.828 -11.042 6.124 1.00 0.00 N ATOM 0 H GLN A 45 4.025 -8.480 2.794 1.00 0.00 H new ATOM 0 HA GLN A 45 3.157 -6.319 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.258 -8.469 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.788 -7.333 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.539 -8.162 6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.696 -8.984 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.953 -10.968 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.071 -11.915 6.592 1.00 0.00 H new ATOM 750 N THR A 46 6.282 -6.036 3.256 1.00 0.00 N ATOM 751 CA THR A 46 7.365 -5.078 3.067 1.00 0.00 C ATOM 752 C THR A 46 6.856 -3.860 2.285 1.00 0.00 C ATOM 753 O THR A 46 7.123 -2.722 2.671 1.00 0.00 O ATOM 754 CB THR A 46 8.570 -5.752 2.391 1.00 0.00 C ATOM 755 OG1 THR A 46 8.942 -6.908 3.116 1.00 0.00 O ATOM 756 CG2 THR A 46 9.783 -4.817 2.353 1.00 0.00 C ATOM 0 H THR A 46 6.451 -6.945 2.826 1.00 0.00 H new ATOM 0 HA THR A 46 7.709 -4.721 4.038 1.00 0.00 H new ATOM 0 HB THR A 46 8.273 -6.006 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.302 -7.628 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.618 -5.324 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.531 -3.917 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.064 -4.545 3.370 1.00 0.00 H new ATOM 764 N MET A 47 6.117 -4.087 1.192 1.00 0.00 N ATOM 765 CA MET A 47 5.545 -2.997 0.406 1.00 0.00 C ATOM 766 C MET A 47 4.650 -2.131 1.300 1.00 0.00 C ATOM 767 O MET A 47 4.821 -0.914 1.366 1.00 0.00 O ATOM 768 CB MET A 47 4.768 -3.550 -0.797 1.00 0.00 C ATOM 769 CG MET A 47 5.692 -4.220 -1.819 1.00 0.00 C ATOM 770 SD MET A 47 4.826 -5.001 -3.203 1.00 0.00 S ATOM 771 CE MET A 47 6.240 -5.390 -4.254 1.00 0.00 C ATOM 0 H MET A 47 5.903 -5.018 0.835 1.00 0.00 H new ATOM 0 HA MET A 47 6.350 -2.373 0.017 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.028 -4.271 -0.450 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.222 -2.739 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.382 -3.474 -2.212 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.293 -4.973 -1.310 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.912 -6.004 -5.092 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.678 -4.466 -4.631 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.985 -5.935 -3.674 1.00 0.00 H new ATOM 781 N LEU A 48 3.706 -2.761 2.006 1.00 0.00 N ATOM 782 CA LEU A 48 2.811 -2.067 2.924 1.00 0.00 C ATOM 783 C LEU A 48 3.617 -1.235 3.923 1.00 0.00 C ATOM 784 O LEU A 48 3.370 -0.043 4.085 1.00 0.00 O ATOM 785 CB LEU A 48 1.930 -3.081 3.664 1.00 0.00 C ATOM 786 CG LEU A 48 0.859 -3.708 2.761 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.324 -4.981 3.422 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.300 -2.733 2.526 1.00 0.00 C ATOM 0 H LEU A 48 3.544 -3.767 1.954 1.00 0.00 H new ATOM 0 HA LEU A 48 2.170 -1.396 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.559 -3.870 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.445 -2.588 4.507 1.00 0.00 H new ATOM 0 HG LEU A 48 1.312 -3.945 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.437 -5.430 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.141 -5.688 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.113 -4.733 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.045 -3.202 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.756 -2.473 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.076 -1.829 2.046 1.00 0.00 H new ATOM 800 N LEU A 49 4.581 -1.868 4.591 1.00 0.00 N ATOM 801 CA LEU A 49 5.460 -1.227 5.557 1.00 0.00 C ATOM 802 C LEU A 49 6.104 0.020 4.944 1.00 0.00 C ATOM 803 O LEU A 49 6.056 1.093 5.546 1.00 0.00 O ATOM 804 CB LEU A 49 6.476 -2.260 6.064 1.00 0.00 C ATOM 805 CG LEU A 49 7.459 -1.721 7.116 1.00 0.00 C ATOM 806 CD1 LEU A 49 7.884 -2.865 8.043 1.00 0.00 C ATOM 807 CD2 LEU A 49 8.718 -1.138 6.461 1.00 0.00 C ATOM 0 H LEU A 49 4.773 -2.862 4.470 1.00 0.00 H new ATOM 0 HA LEU A 49 4.897 -0.875 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.935 -3.105 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.044 -2.640 5.215 1.00 0.00 H new ATOM 0 HG LEU A 49 6.954 -0.932 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.581 -2.487 8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.005 -3.276 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.368 -3.647 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.391 -0.766 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.221 -1.914 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.438 -0.319 5.799 1.00 0.00 H new ATOM 819 N ARG A 50 6.697 -0.110 3.752 1.00 0.00 N ATOM 820 CA ARG A 50 7.321 1.006 3.058 1.00 0.00 C ATOM 821 C ARG A 50 6.316 2.146 2.882 1.00 0.00 C ATOM 822 O ARG A 50 6.549 3.254 3.360 1.00 0.00 O ATOM 823 CB ARG A 50 7.901 0.535 1.721 1.00 0.00 C ATOM 824 CG ARG A 50 9.179 -0.290 1.928 1.00 0.00 C ATOM 825 CD ARG A 50 10.444 0.511 1.592 1.00 0.00 C ATOM 826 NE ARG A 50 10.592 1.692 2.453 1.00 0.00 N ATOM 827 CZ ARG A 50 11.436 2.708 2.226 1.00 0.00 C ATOM 828 NH1 ARG A 50 12.275 2.673 1.185 1.00 0.00 N ATOM 829 NH2 ARG A 50 11.429 3.764 3.045 1.00 0.00 N ATOM 0 H ARG A 50 6.754 -0.994 3.247 1.00 0.00 H new ATOM 0 HA ARG A 50 8.148 1.391 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.160 -0.064 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.120 1.398 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.228 -0.627 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.139 -1.182 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.319 -0.130 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.408 0.825 0.549 1.00 0.00 H new ATOM 0 HE ARG A 50 10.008 1.743 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.275 1.869 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.914 3.450 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.785 3.792 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.068 4.542 2.880 1.00 0.00 H new ATOM 843 N LEU A 51 5.195 1.880 2.209 1.00 0.00 N ATOM 844 CA LEU A 51 4.117 2.825 2.003 1.00 0.00 C ATOM 845 C LEU A 51 3.688 3.501 3.305 1.00 0.00 C ATOM 846 O LEU A 51 3.513 4.718 3.331 1.00 0.00 O ATOM 847 CB LEU A 51 2.988 2.040 1.338 1.00 0.00 C ATOM 848 CG LEU A 51 3.248 1.857 -0.165 1.00 0.00 C ATOM 849 CD1 LEU A 51 4.693 1.743 -0.671 1.00 0.00 C ATOM 850 CD2 LEU A 51 2.421 0.686 -0.704 1.00 0.00 C ATOM 0 H LEU A 51 5.015 0.971 1.783 1.00 0.00 H new ATOM 0 HA LEU A 51 4.431 3.651 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.891 1.064 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.043 2.562 1.485 1.00 0.00 H new ATOM 0 HG LEU A 51 2.937 2.823 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.691 1.618 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.242 2.648 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.174 0.881 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.613 0.565 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.699 -0.228 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.361 0.886 -0.547 1.00 0.00 H new ATOM 862 N ILE A 52 3.525 2.743 4.388 1.00 0.00 N ATOM 863 CA ILE A 52 3.166 3.313 5.678 1.00 0.00 C ATOM 864 C ILE A 52 4.260 4.292 6.116 1.00 0.00 C ATOM 865 O ILE A 52 3.969 5.458 6.374 1.00 0.00 O ATOM 866 CB ILE A 52 2.891 2.193 6.699 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.590 1.467 6.311 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.771 2.756 8.124 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.472 0.085 6.960 1.00 0.00 C ATOM 0 H ILE A 52 3.637 1.729 4.394 1.00 0.00 H new ATOM 0 HA ILE A 52 2.239 3.882 5.604 1.00 0.00 H new ATOM 0 HB ILE A 52 3.728 1.494 6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.736 2.077 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.547 1.360 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.577 1.941 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.701 3.255 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.950 3.472 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.537 -0.383 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.309 -0.538 6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.486 0.190 8.045 1.00 0.00 H new ATOM 881 N LYS A 53 5.521 3.848 6.164 1.00 0.00 N ATOM 882 CA LYS A 53 6.630 4.704 6.576 1.00 0.00 C ATOM 883 C LYS A 53 6.742 5.969 5.717 1.00 0.00 C ATOM 884 O LYS A 53 7.070 7.032 6.246 1.00 0.00 O ATOM 885 CB LYS A 53 7.946 3.917 6.603 1.00 0.00 C ATOM 886 CG LYS A 53 7.958 2.921 7.770 1.00 0.00 C ATOM 887 CD LYS A 53 9.341 2.270 7.902 1.00 0.00 C ATOM 888 CE LYS A 53 9.398 1.298 9.088 1.00 0.00 C ATOM 889 NZ LYS A 53 9.266 1.992 10.381 1.00 0.00 N ATOM 0 H LYS A 53 5.796 2.896 5.921 1.00 0.00 H new ATOM 0 HA LYS A 53 6.419 5.041 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.076 3.383 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.786 4.606 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.700 3.434 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.201 2.153 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.582 1.737 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.097 3.044 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.601 0.560 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.342 0.753 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.478 1.329 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.932 2.790 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.294 2.348 10.487 1.00 0.00 H new ATOM 903 N LYS A 54 6.480 5.871 4.411 1.00 0.00 N ATOM 904 CA LYS A 54 6.503 6.987 3.481 1.00 0.00 C ATOM 905 C LYS A 54 5.301 7.926 3.674 1.00 0.00 C ATOM 906 O LYS A 54 5.295 9.029 3.130 1.00 0.00 O ATOM 907 CB LYS A 54 6.484 6.398 2.065 1.00 0.00 C ATOM 908 CG LYS A 54 7.806 5.720 1.680 1.00 0.00 C ATOM 909 CD LYS A 54 7.642 4.950 0.362 1.00 0.00 C ATOM 910 CE LYS A 54 8.936 4.212 0.003 1.00 0.00 C ATOM 911 NZ LYS A 54 8.787 3.396 -1.217 1.00 0.00 N ATOM 0 H LYS A 54 6.240 4.985 3.966 1.00 0.00 H new ATOM 0 HA LYS A 54 7.398 7.585 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.674 5.672 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.267 7.192 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.591 6.469 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.118 5.039 2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.823 4.236 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.377 5.641 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.738 4.936 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.230 3.571 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.727 3.136 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.250 2.533 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.278 3.943 -1.941 1.00 0.00 H new ATOM 925 N GLY A 55 4.278 7.500 4.425 1.00 0.00 N ATOM 926 CA GLY A 55 3.059 8.270 4.623 1.00 0.00 C ATOM 927 C GLY A 55 2.165 8.201 3.385 1.00 0.00 C ATOM 928 O GLY A 55 1.419 9.137 3.103 1.00 0.00 O ATOM 0 H GLY A 55 4.280 6.604 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.519 7.887 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.311 9.309 4.838 1.00 0.00 H new ATOM 932 N ALA A 56 2.242 7.094 2.643 1.00 0.00 N ATOM 933 CA ALA A 56 1.462 6.855 1.439 1.00 0.00 C ATOM 934 C ALA A 56 0.073 6.322 1.797 1.00 0.00 C ATOM 935 O ALA A 56 -0.930 6.705 1.196 1.00 0.00 O ATOM 936 CB ALA A 56 2.206 5.857 0.549 1.00 0.00 C ATOM 0 H ALA A 56 2.867 6.322 2.874 1.00 0.00 H new ATOM 0 HA ALA A 56 1.333 7.794 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.626 5.674 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.180 6.266 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.343 4.920 1.089 1.00 0.00 H new ATOM 942 N LEU A 57 0.015 5.419 2.777 1.00 0.00 N ATOM 943 CA LEU A 57 -1.219 4.806 3.237 1.00 0.00 C ATOM 944 C LEU A 57 -1.261 4.865 4.760 1.00 0.00 C ATOM 945 O LEU A 57 -0.265 4.554 5.411 1.00 0.00 O ATOM 946 CB LEU A 57 -1.284 3.345 2.780 1.00 0.00 C ATOM 947 CG LEU A 57 -1.160 3.137 1.261 1.00 0.00 C ATOM 948 CD1 LEU A 57 -1.152 1.633 1.010 1.00 0.00 C ATOM 949 CD2 LEU A 57 -2.321 3.735 0.462 1.00 0.00 C ATOM 0 H LEU A 57 0.841 5.092 3.278 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.070 5.344 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.488 2.789 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.228 2.916 3.115 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.250 3.640 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.065 1.443 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.306 1.182 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.079 1.197 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.165 3.550 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.256 3.273 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.370 4.809 0.639 1.00 0.00 H new ATOM 961 N ASN A 58 -2.397 5.281 5.318 1.00 0.00 N ATOM 962 CA ASN A 58 -2.646 5.248 6.752 1.00 0.00 C ATOM 963 C ASN A 58 -3.293 3.890 7.025 1.00 0.00 C ATOM 964 O ASN A 58 -3.879 3.321 6.103 1.00 0.00 O ATOM 965 CB ASN A 58 -3.574 6.406 7.141 1.00 0.00 C ATOM 966 CG ASN A 58 -4.082 6.244 8.570 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.398 6.615 9.517 1.00 0.00 O ATOM 968 ND2 ASN A 58 -5.258 5.648 8.746 1.00 0.00 N ATOM 0 H ASN A 58 -3.177 5.654 4.778 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.735 5.366 7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.040 7.352 7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.419 6.446 6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.613 5.489 9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.805 5.350 7.938 1.00 0.00 H new ATOM 975 N HIS A 59 -3.189 3.339 8.237 1.00 0.00 N ATOM 976 CA HIS A 59 -3.826 2.066 8.552 1.00 0.00 C ATOM 977 C HIS A 59 -4.527 2.110 9.905 1.00 0.00 C ATOM 978 O HIS A 59 -4.221 2.966 10.735 1.00 0.00 O ATOM 979 CB HIS A 59 -2.818 0.915 8.467 1.00 0.00 C ATOM 980 CG HIS A 59 -1.821 0.907 9.592 1.00 0.00 C ATOM 981 ND1 HIS A 59 -2.092 0.268 10.802 1.00 0.00 N ATOM 982 CD2 HIS A 59 -0.567 1.450 9.644 1.00 0.00 C ATOM 983 CE1 HIS A 59 -0.993 0.459 11.538 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.049 1.160 10.889 1.00 0.00 N ATOM 0 H HIS A 59 -2.671 3.755 9.011 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.597 1.883 7.804 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.359 -0.031 8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.284 0.980 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.074 2.002 8.857 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.877 0.089 12.546 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.869 1.425 11.246 1.00 0.00 H new ATOM 992 N HIS A 60 -5.483 1.198 10.097 1.00 0.00 N ATOM 993 CA HIS A 60 -6.229 1.003 11.331 1.00 0.00 C ATOM 994 C HIS A 60 -5.996 -0.433 11.801 1.00 0.00 C ATOM 995 O HIS A 60 -6.013 -1.365 10.996 1.00 0.00 O ATOM 996 CB HIS A 60 -7.721 1.273 11.110 1.00 0.00 C ATOM 997 CG HIS A 60 -8.557 0.789 12.266 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.118 -0.488 12.267 1.00 0.00 N ATOM 999 CD2 HIS A 60 -8.799 1.380 13.477 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -9.684 -0.614 13.470 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -9.519 0.478 14.234 1.00 0.00 N ATOM 0 H HIS A 60 -5.766 0.550 9.362 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.886 1.703 12.093 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.880 2.342 10.970 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.047 0.780 10.194 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.485 2.367 13.783 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.216 -1.497 13.793 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.859 0.614 15.186 1.00 0.00 H new ATOM 1009 N LYS A 61 -5.772 -0.613 13.103 1.00 0.00 N ATOM 1010 CA LYS A 61 -5.504 -1.913 13.693 1.00 0.00 C ATOM 1011 C LYS A 61 -6.808 -2.604 14.104 1.00 0.00 C ATOM 1012 O LYS A 61 -7.304 -2.401 15.210 1.00 0.00 O ATOM 1013 CB LYS A 61 -4.545 -1.738 14.878 1.00 0.00 C ATOM 1014 CG LYS A 61 -3.192 -1.182 14.407 1.00 0.00 C ATOM 1015 CD LYS A 61 -2.149 -1.155 15.536 1.00 0.00 C ATOM 1016 CE LYS A 61 -2.541 -0.262 16.721 1.00 0.00 C ATOM 1017 NZ LYS A 61 -2.802 1.128 16.307 1.00 0.00 N ATOM 0 H LYS A 61 -5.773 0.151 13.779 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.027 -2.560 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.985 -1.063 15.611 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.396 -2.696 15.376 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.818 -1.791 13.584 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.331 -0.173 14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.991 -2.172 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.198 -0.809 15.131 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.430 -0.669 17.202 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.743 -0.275 17.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.963 1.717 17.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.983 1.493 15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.645 1.156 15.698 1.00 0.00 H new ATOM 1031 N GLU A 62 -7.354 -3.428 13.208 1.00 0.00 N ATOM 1032 CA GLU A 62 -8.509 -4.276 13.467 1.00 0.00 C ATOM 1033 C GLU A 62 -7.964 -5.577 14.070 1.00 0.00 C ATOM 1034 O GLU A 62 -6.913 -6.061 13.651 1.00 0.00 O ATOM 1035 CB GLU A 62 -9.327 -4.453 12.177 1.00 0.00 C ATOM 1036 CG GLU A 62 -10.525 -5.405 12.287 1.00 0.00 C ATOM 1037 CD GLU A 62 -10.139 -6.883 12.380 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -9.262 -7.306 11.596 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -10.722 -7.563 13.251 1.00 0.00 O ATOM 0 H GLU A 62 -6.993 -3.523 12.259 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.212 -3.842 14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.689 -3.475 11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.664 -4.819 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.110 -5.137 13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.170 -5.262 11.420 1.00 0.00 H new ATOM 1046 N GLY A 63 -8.641 -6.109 15.093 1.00 0.00 N ATOM 1047 CA GLY A 63 -8.227 -7.284 15.855 1.00 0.00 C ATOM 1048 C GLY A 63 -8.243 -8.620 15.099 1.00 0.00 C ATOM 1049 O GLY A 63 -8.886 -9.568 15.542 1.00 0.00 O ATOM 0 H GLY A 63 -9.523 -5.717 15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.217 -7.113 16.228 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.877 -7.375 16.725 1.00 0.00 H new ATOM 1053 N ARG A 64 -7.503 -8.706 13.993 1.00 0.00 N ATOM 1054 CA ARG A 64 -7.271 -9.903 13.193 1.00 0.00 C ATOM 1055 C ARG A 64 -6.208 -9.557 12.154 1.00 0.00 C ATOM 1056 O ARG A 64 -5.151 -10.180 12.112 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.543 -10.461 12.537 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.198 -11.760 11.793 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.442 -12.435 11.247 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.109 -13.627 10.451 1.00 0.00 N ATOM 1061 CZ ARG A 64 -8.758 -13.629 9.155 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -8.707 -12.496 8.449 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -8.447 -14.775 8.543 1.00 0.00 N ATOM 0 H ARG A 64 -7.022 -7.892 13.611 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.930 -10.705 13.848 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.303 -10.652 13.294 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.960 -9.730 11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.513 -11.541 10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.680 -12.441 12.468 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.094 -12.719 12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.998 -11.729 10.630 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.148 -14.530 10.925 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.937 -11.607 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.438 -12.520 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.476 -15.654 9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.181 -14.771 7.558 1.00 0.00 H new ATOM 1077 N VAL A 65 -6.495 -8.551 11.325 1.00 0.00 N ATOM 1078 CA VAL A 65 -5.621 -8.064 10.271 1.00 0.00 C ATOM 1079 C VAL A 65 -5.840 -6.555 10.196 1.00 0.00 C ATOM 1080 O VAL A 65 -6.937 -6.093 10.491 1.00 0.00 O ATOM 1081 CB VAL A 65 -5.938 -8.783 8.948 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -5.174 -10.111 8.863 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -7.437 -9.050 8.763 1.00 0.00 C ATOM 0 H VAL A 65 -7.376 -8.039 11.376 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.570 -8.270 10.474 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.618 -8.114 8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.410 -10.607 7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.102 -9.918 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.467 -10.753 9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.601 -9.559 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.798 -9.677 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.978 -8.104 8.766 1.00 0.00 H new ATOM 1093 N PHE A 66 -4.823 -5.771 9.830 1.00 0.00 N ATOM 1094 CA PHE A 66 -4.948 -4.319 9.837 1.00 0.00 C ATOM 1095 C PHE A 66 -5.527 -3.828 8.510 1.00 0.00 C ATOM 1096 O PHE A 66 -5.327 -4.450 7.466 1.00 0.00 O ATOM 1097 CB PHE A 66 -3.662 -3.617 10.318 1.00 0.00 C ATOM 1098 CG PHE A 66 -2.323 -3.931 9.668 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -1.736 -5.203 9.828 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -1.511 -2.858 9.250 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.402 -5.426 9.445 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.155 -3.063 8.941 1.00 0.00 C ATOM 1103 CZ PHE A 66 0.393 -4.354 9.006 1.00 0.00 C ATOM 0 H PHE A 66 -3.912 -6.118 9.528 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.676 -4.023 10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.824 -2.544 10.218 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.560 -3.826 11.383 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.316 -6.012 10.248 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.935 -1.868 9.166 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.012 -6.422 9.488 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.465 -2.227 8.653 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.421 -4.522 8.720 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.311 -2.748 8.581 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.054 -2.163 7.476 1.00 0.00 C ATOM 1115 C VAL A 67 -6.264 -1.001 6.882 1.00 0.00 C ATOM 1116 O VAL A 67 -5.766 -0.181 7.648 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.439 -1.718 7.981 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.279 -1.093 6.861 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.215 -2.904 8.569 1.00 0.00 C ATOM 0 H VAL A 67 -6.447 -2.239 9.454 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.201 -2.898 6.685 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.263 -0.970 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.249 -0.792 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.763 -0.219 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.424 -1.823 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.190 -2.564 8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.351 -3.666 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.657 -3.326 9.405 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.161 -0.911 5.548 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.398 0.139 4.865 1.00 0.00 C ATOM 1131 C TYR A 68 -6.303 1.200 4.246 1.00 0.00 C ATOM 1132 O TYR A 68 -7.153 0.896 3.405 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.486 -0.458 3.792 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.614 -1.560 4.337 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.555 -1.253 5.211 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -4.050 -2.886 4.206 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.941 -2.274 5.956 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.447 -3.895 4.961 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.415 -3.593 5.856 1.00 0.00 C ATOM 1140 OH TYR A 68 -1.901 -4.595 6.620 1.00 0.00 O ATOM 0 H TYR A 68 -6.608 -1.570 4.910 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.786 0.625 5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.094 -0.848 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.857 0.328 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.214 -0.233 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.851 -3.127 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.107 -2.046 6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.780 -4.917 4.853 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.775 -4.275 7.538 1.00 0.00 H new ATOM 1150 N THR A 69 -6.072 2.452 4.641 1.00 0.00 N ATOM 1151 CA THR A 69 -6.793 3.629 4.196 1.00 0.00 C ATOM 1152 C THR A 69 -5.858 4.540 3.378 1.00 0.00 C ATOM 1153 O THR A 69 -4.865 5.023 3.927 1.00 0.00 O ATOM 1154 CB THR A 69 -7.324 4.374 5.430 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.274 4.585 6.353 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.424 3.574 6.134 1.00 0.00 C ATOM 0 H THR A 69 -5.339 2.676 5.314 1.00 0.00 H new ATOM 0 HA THR A 69 -7.628 3.338 3.559 1.00 0.00 H new ATOM 0 HB THR A 69 -7.734 5.324 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.424 4.658 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.778 4.129 7.003 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.253 3.411 5.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.025 2.612 6.456 1.00 0.00 H new ATOM 1164 N PRO A 70 -6.152 4.764 2.086 1.00 0.00 N ATOM 1165 CA PRO A 70 -5.426 5.648 1.187 1.00 0.00 C ATOM 1166 C PRO A 70 -5.121 7.001 1.842 1.00 0.00 C ATOM 1167 O PRO A 70 -6.054 7.714 2.204 1.00 0.00 O ATOM 1168 CB PRO A 70 -6.355 5.797 -0.031 1.00 0.00 C ATOM 1169 CG PRO A 70 -7.043 4.431 -0.103 1.00 0.00 C ATOM 1170 CD PRO A 70 -7.210 4.085 1.369 1.00 0.00 C ATOM 0 HA PRO A 70 -4.450 5.247 0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.074 6.605 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.797 6.017 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.000 4.483 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.435 3.695 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.187 4.403 1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.149 3.007 1.521 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.840 7.361 2.012 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.480 8.636 2.637 1.00 0.00 C ATOM 1180 C ASN A 71 -3.438 9.746 1.594 1.00 0.00 C ATOM 1181 O ASN A 71 -3.842 10.877 1.845 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.100 8.550 3.301 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.939 9.592 4.408 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.882 9.918 5.120 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.731 10.104 4.602 1.00 0.00 N ATOM 0 H ASN A 71 -3.044 6.790 1.727 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.237 8.856 3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.958 7.552 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.325 8.695 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.577 10.778 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.044 9.823 4.002 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.900 9.399 0.426 1.00 0.00 N ATOM 1193 CA ILE A 72 -2.719 10.272 -0.719 1.00 0.00 C ATOM 1194 C ILE A 72 -3.644 9.820 -1.853 1.00 0.00 C ATOM 1195 O ILE A 72 -4.123 8.684 -1.865 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.251 10.200 -1.181 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.774 8.747 -1.297 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.287 10.935 -0.237 1.00 0.00 C ATOM 1199 CD1 ILE A 72 0.312 8.601 -2.352 1.00 0.00 C ATOM 0 H ILE A 72 -2.564 8.452 0.250 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.963 11.299 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.234 10.690 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.394 8.409 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.618 8.105 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.731 10.848 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.565 11.988 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.343 10.492 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.627 7.559 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.077 8.915 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.165 9.224 -2.084 1.00 0.00 H new