USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 57 TYR OH : rot -18:sc= 0.122 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.0939 X(o=0.22,f=0) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0.0049 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -1.81 USER MOD Set 3.1: A 37 ASN : amide:sc= -1.8 K(o=-0.68,f=-1.4) USER MOD Set 3.2: A 74 SER OG : rot -90:sc= 1.12 USER MOD Single : A 16 THR OG1 : rot -44:sc= 0.817 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.33) USER MOD Single : A 24 ASN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.86 K(o=-1.9,f=-3.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00773 K(o=-0.0077,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -51:sc= -2.31! USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0749) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 160:sc= -0.644 USER MOD Single : A 69 ASN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 70 THR OG1 : rot 161:sc= -0.272 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= -1.2! (180deg=-1.8!) USER MOD Single : A 93 THR OG1 : rot 142:sc= -1.18 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 67:sc= -2.21! USER MOD Single : A 101 SER OG : rot 100:sc= -0.701 USER MOD Single : A 103 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.335 -24.519 -0.585 1.00 0.00 N ATOM 199 CA THR A 16 -5.461 -23.679 -1.386 1.00 0.00 C ATOM 200 C THR A 16 -5.956 -22.231 -1.375 1.00 0.00 C ATOM 201 O THR A 16 -7.143 -21.978 -1.174 1.00 0.00 O ATOM 202 CB THR A 16 -5.381 -24.283 -2.790 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.705 -24.743 -3.046 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.530 -25.553 -2.832 1.00 0.00 C ATOM 0 HA THR A 16 -4.453 -23.648 -0.972 1.00 0.00 H new ATOM 0 HB THR A 16 -4.968 -23.547 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.053 -25.196 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.506 -25.941 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.515 -25.322 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.961 -26.302 -2.168 1.00 0.00 H new ATOM 212 N PRO A 17 -4.997 -21.294 -1.601 1.00 0.00 N ATOM 213 CA PRO A 17 -5.323 -19.878 -1.619 1.00 0.00 C ATOM 214 C PRO A 17 -6.047 -19.499 -2.913 1.00 0.00 C ATOM 215 O PRO A 17 -5.894 -20.168 -3.933 1.00 0.00 O ATOM 216 CB PRO A 17 -3.991 -19.165 -1.452 1.00 0.00 C ATOM 217 CG PRO A 17 -2.924 -20.186 -1.813 1.00 0.00 C ATOM 218 CD PRO A 17 -3.581 -21.556 -1.844 1.00 0.00 C ATOM 0 HA PRO A 17 -6.013 -19.595 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.931 -18.292 -2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.863 -18.811 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.484 -19.952 -2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.115 -20.167 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.428 -22.047 -2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.163 -22.213 -1.081 1.00 0.00 H new ATOM 226 N PRO A 18 -6.839 -18.397 -2.826 1.00 0.00 N ATOM 227 CA PRO A 18 -7.587 -17.920 -3.977 1.00 0.00 C ATOM 228 C PRO A 18 -6.665 -17.221 -4.978 1.00 0.00 C ATOM 229 O PRO A 18 -5.709 -16.554 -4.586 1.00 0.00 O ATOM 230 CB PRO A 18 -8.648 -16.997 -3.402 1.00 0.00 C ATOM 231 CG PRO A 18 -8.168 -16.626 -2.008 1.00 0.00 C ATOM 232 CD PRO A 18 -7.044 -17.579 -1.634 1.00 0.00 C ATOM 0 HA PRO A 18 -8.047 -18.729 -4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.770 -16.109 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.617 -17.494 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.817 -15.594 -1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.985 -16.699 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.138 -17.036 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.315 -18.192 -0.775 1.00 0.00 H new ATOM 240 N SER A 19 -6.985 -17.397 -6.252 1.00 0.00 N ATOM 241 CA SER A 19 -6.197 -16.791 -7.312 1.00 0.00 C ATOM 242 C SER A 19 -6.747 -15.403 -7.644 1.00 0.00 C ATOM 243 O SER A 19 -6.638 -14.943 -8.780 1.00 0.00 O ATOM 244 CB SER A 19 -6.189 -17.672 -8.563 1.00 0.00 C ATOM 245 OG SER A 19 -5.673 -18.973 -8.297 1.00 0.00 O ATOM 0 H SER A 19 -7.779 -17.950 -6.574 1.00 0.00 H new ATOM 0 HA SER A 19 -5.169 -16.693 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.203 -17.757 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.589 -17.195 -9.338 1.00 0.00 H new ATOM 0 HG SER A 19 -5.686 -19.505 -9.120 1.00 0.00 H new ATOM 251 N GLN A 20 -7.325 -14.773 -6.632 1.00 0.00 N ATOM 252 CA GLN A 20 -7.892 -13.446 -6.802 1.00 0.00 C ATOM 253 C GLN A 20 -7.092 -12.420 -5.997 1.00 0.00 C ATOM 254 O GLN A 20 -7.106 -12.442 -4.767 1.00 0.00 O ATOM 255 CB GLN A 20 -9.369 -13.425 -6.402 1.00 0.00 C ATOM 256 CG GLN A 20 -9.757 -12.069 -5.808 1.00 0.00 C ATOM 257 CD GLN A 20 -11.272 -11.859 -5.866 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.914 -12.061 -6.883 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.804 -11.443 -4.721 1.00 0.00 N ATOM 0 H GLN A 20 -7.413 -15.157 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.831 -13.179 -7.857 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.989 -13.635 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.564 -14.214 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.417 -12.010 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.254 -11.271 -6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.208 -11.293 -3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.808 -11.273 -4.657 1.00 0.00 H new ATOM 268 N PRO A 21 -6.395 -11.521 -6.743 1.00 0.00 N ATOM 269 CA PRO A 21 -5.590 -10.489 -6.112 1.00 0.00 C ATOM 270 C PRO A 21 -6.474 -9.379 -5.538 1.00 0.00 C ATOM 271 O PRO A 21 -7.622 -9.219 -5.950 1.00 0.00 O ATOM 272 CB PRO A 21 -4.654 -9.997 -7.204 1.00 0.00 C ATOM 273 CG PRO A 21 -5.278 -10.439 -8.518 1.00 0.00 C ATOM 274 CD PRO A 21 -6.355 -11.464 -8.201 1.00 0.00 C ATOM 0 HA PRO A 21 -5.024 -10.861 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.547 -8.913 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.657 -10.420 -7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.706 -9.585 -9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.522 -10.870 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.319 -11.165 -8.612 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.114 -12.437 -8.629 1.00 0.00 H new ATOM 282 N PRO A 22 -5.890 -8.622 -4.571 1.00 0.00 N ATOM 283 CA PRO A 22 -6.611 -7.532 -3.936 1.00 0.00 C ATOM 284 C PRO A 22 -6.712 -6.324 -4.870 1.00 0.00 C ATOM 285 O PRO A 22 -5.706 -5.864 -5.408 1.00 0.00 O ATOM 286 CB PRO A 22 -5.835 -7.235 -2.663 1.00 0.00 C ATOM 287 CG PRO A 22 -4.458 -7.848 -2.862 1.00 0.00 C ATOM 288 CD PRO A 22 -4.532 -8.782 -4.059 1.00 0.00 C ATOM 0 HA PRO A 22 -7.645 -7.790 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.763 -6.161 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.332 -7.665 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.714 -7.069 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.151 -8.394 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.791 -8.518 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.338 -9.814 -3.768 1.00 0.00 H new ATOM 296 N GLY A 23 -7.936 -5.844 -5.034 1.00 0.00 N ATOM 297 CA GLY A 23 -8.182 -4.699 -5.893 1.00 0.00 C ATOM 298 C GLY A 23 -8.348 -3.420 -5.069 1.00 0.00 C ATOM 299 O GLY A 23 -8.181 -3.437 -3.851 1.00 0.00 O ATOM 0 H GLY A 23 -8.768 -6.228 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.354 -4.580 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.079 -4.872 -6.487 1.00 0.00 H new ATOM 303 N ASN A 24 -8.675 -2.343 -5.767 1.00 0.00 N ATOM 304 CA ASN A 24 -8.866 -1.058 -5.115 1.00 0.00 C ATOM 305 C ASN A 24 -7.628 -0.727 -4.279 1.00 0.00 C ATOM 306 O ASN A 24 -7.700 0.073 -3.347 1.00 0.00 O ATOM 307 CB ASN A 24 -10.075 -1.091 -4.177 1.00 0.00 C ATOM 308 CG ASN A 24 -10.841 0.233 -4.223 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.843 0.376 -4.904 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.315 1.189 -3.464 1.00 0.00 N ATOM 0 H ASN A 24 -8.813 -2.333 -6.778 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.030 -0.308 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.738 -1.909 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.744 -1.288 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.753 2.110 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.474 1.002 -2.918 1.00 0.00 H new ATOM 317 N VAL A 25 -6.521 -1.357 -4.643 1.00 0.00 N ATOM 318 CA VAL A 25 -5.269 -1.139 -3.939 1.00 0.00 C ATOM 319 C VAL A 25 -4.832 0.315 -4.124 1.00 0.00 C ATOM 320 O VAL A 25 -4.124 0.638 -5.076 1.00 0.00 O ATOM 321 CB VAL A 25 -4.219 -2.145 -4.416 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.923 -2.005 -3.614 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.757 -3.575 -4.344 1.00 0.00 C ATOM 0 H VAL A 25 -6.465 -2.019 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.397 -1.306 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.993 -1.925 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.193 -2.731 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.525 -0.998 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.127 -2.186 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.991 -4.270 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.025 -3.812 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.639 -3.664 -4.978 1.00 0.00 H new ATOM 333 N VAL A 26 -5.272 1.154 -3.197 1.00 0.00 N ATOM 334 CA VAL A 26 -4.935 2.566 -3.246 1.00 0.00 C ATOM 335 C VAL A 26 -3.903 2.878 -2.160 1.00 0.00 C ATOM 336 O VAL A 26 -3.769 2.129 -1.193 1.00 0.00 O ATOM 337 CB VAL A 26 -6.204 3.412 -3.124 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.210 3.052 -4.220 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.830 3.265 -1.736 1.00 0.00 C ATOM 0 H VAL A 26 -5.859 0.883 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.484 2.817 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.924 4.457 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.103 3.668 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.763 3.232 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.482 2.000 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.730 3.877 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.089 2.220 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.118 3.593 -0.979 1.00 0.00 H new ATOM 349 N TRP A 27 -3.201 3.984 -2.356 1.00 0.00 N ATOM 350 CA TRP A 27 -2.185 4.404 -1.405 1.00 0.00 C ATOM 351 C TRP A 27 -2.403 5.888 -1.104 1.00 0.00 C ATOM 352 O TRP A 27 -3.304 6.512 -1.663 1.00 0.00 O ATOM 353 CB TRP A 27 -0.781 4.101 -1.933 1.00 0.00 C ATOM 354 CG TRP A 27 -0.502 4.675 -3.323 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.855 4.168 -4.512 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.209 5.895 -3.622 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.427 4.968 -5.551 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.241 6.052 -4.993 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.804 6.835 -2.763 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.857 7.138 -5.626 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.416 7.915 -3.411 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.457 8.087 -4.790 1.00 0.00 C ATOM 0 H TRP A 27 -3.315 4.602 -3.159 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.273 3.844 -0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.047 4.499 -1.233 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.640 3.021 -1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.406 3.248 -4.641 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.574 4.796 -6.546 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.790 6.732 -1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.869 7.238 -6.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.889 8.667 -2.797 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.950 8.949 -5.214 1.00 0.00 H new ATOM 373 N ASN A 28 -1.564 6.410 -0.222 1.00 0.00 N ATOM 374 CA ASN A 28 -1.654 7.809 0.160 1.00 0.00 C ATOM 375 C ASN A 28 -0.414 8.193 0.970 1.00 0.00 C ATOM 376 O ASN A 28 0.295 7.324 1.476 1.00 0.00 O ATOM 377 CB ASN A 28 -2.885 8.064 1.031 1.00 0.00 C ATOM 378 CG ASN A 28 -4.122 8.325 0.169 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.059 8.938 -0.884 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.247 7.825 0.672 1.00 0.00 N ATOM 0 H ASN A 28 -0.818 5.889 0.239 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.728 8.403 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.062 7.204 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.704 8.919 1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.127 7.945 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.230 7.322 1.559 1.00 0.00 H new ATOM 387 N ALA A 29 -0.190 9.495 1.067 1.00 0.00 N ATOM 388 CA ALA A 29 0.952 10.004 1.807 1.00 0.00 C ATOM 389 C ALA A 29 0.517 11.211 2.641 1.00 0.00 C ATOM 390 O ALA A 29 0.066 12.217 2.095 1.00 0.00 O ATOM 391 CB ALA A 29 2.081 10.345 0.833 1.00 0.00 C ATOM 0 H ALA A 29 -0.780 10.213 0.646 1.00 0.00 H new ATOM 0 HA ALA A 29 1.332 9.248 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.938 10.727 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.373 9.448 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.738 11.103 0.129 1.00 0.00 H new ATOM 397 N THR A 30 0.667 11.071 3.950 1.00 0.00 N ATOM 398 CA THR A 30 0.295 12.138 4.864 1.00 0.00 C ATOM 399 C THR A 30 1.365 12.312 5.944 1.00 0.00 C ATOM 400 O THR A 30 1.971 11.337 6.386 1.00 0.00 O ATOM 401 CB THR A 30 -1.090 11.816 5.427 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.059 12.345 6.750 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.305 10.315 5.632 1.00 0.00 C ATOM 0 H THR A 30 1.041 10.235 4.399 1.00 0.00 H new ATOM 0 HA THR A 30 0.238 13.098 4.350 1.00 0.00 H new ATOM 0 HB THR A 30 -1.854 12.204 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.920 12.181 7.188 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.304 10.142 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.203 9.799 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.562 9.933 6.332 1.00 0.00 H new ATOM 411 N ASP A 31 1.565 13.561 6.337 1.00 0.00 N ATOM 412 CA ASP A 31 2.551 13.875 7.357 1.00 0.00 C ATOM 413 C ASP A 31 3.896 13.258 6.968 1.00 0.00 C ATOM 414 O ASP A 31 4.698 13.890 6.282 1.00 0.00 O ATOM 415 CB ASP A 31 2.143 13.300 8.715 1.00 0.00 C ATOM 416 CG ASP A 31 1.165 14.163 9.515 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.642 15.146 10.123 1.00 0.00 O ATOM 418 OD2 ASP A 31 -0.037 13.821 9.500 1.00 0.00 O ATOM 0 H ASP A 31 1.061 14.367 5.968 1.00 0.00 H new ATOM 0 HA ASP A 31 2.623 14.960 7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.694 12.319 8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.042 13.147 9.313 1.00 0.00 H new ATOM 423 N THR A 32 4.101 12.030 7.422 1.00 0.00 N ATOM 424 CA THR A 32 5.335 11.321 7.130 1.00 0.00 C ATOM 425 C THR A 32 5.101 9.809 7.162 1.00 0.00 C ATOM 426 O THR A 32 5.878 9.069 7.764 1.00 0.00 O ATOM 427 CB THR A 32 6.398 11.792 8.124 1.00 0.00 C ATOM 428 OG1 THR A 32 5.858 11.452 9.398 1.00 0.00 O ATOM 429 CG2 THR A 32 6.525 13.316 8.168 1.00 0.00 C ATOM 0 H THR A 32 3.433 11.508 7.990 1.00 0.00 H new ATOM 0 HA THR A 32 5.690 11.543 6.124 1.00 0.00 H new ATOM 0 HB THR A 32 7.361 11.355 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.485 11.721 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.293 13.596 8.889 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.801 13.687 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.571 13.752 8.465 1.00 0.00 H new ATOM 437 N LYS A 33 4.027 9.395 6.506 1.00 0.00 N ATOM 438 CA LYS A 33 3.680 7.985 6.451 1.00 0.00 C ATOM 439 C LYS A 33 3.013 7.680 5.109 1.00 0.00 C ATOM 440 O LYS A 33 2.839 8.572 4.281 1.00 0.00 O ATOM 441 CB LYS A 33 2.832 7.594 7.663 1.00 0.00 C ATOM 442 CG LYS A 33 3.479 6.444 8.438 1.00 0.00 C ATOM 443 CD LYS A 33 2.550 5.937 9.543 1.00 0.00 C ATOM 444 CE LYS A 33 2.693 6.782 10.810 1.00 0.00 C ATOM 445 NZ LYS A 33 3.498 6.064 11.824 1.00 0.00 N ATOM 0 H LYS A 33 3.385 10.012 6.008 1.00 0.00 H new ATOM 0 HA LYS A 33 4.578 7.369 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.710 8.456 8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.835 7.300 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.716 5.628 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.420 6.779 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.517 5.967 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.781 4.896 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.167 7.733 10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.707 7.011 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.585 6.652 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.030 5.167 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.445 5.868 11.440 1.00 0.00 H new ATOM 459 N VAL A 34 2.656 6.415 4.936 1.00 0.00 N ATOM 460 CA VAL A 34 2.011 5.981 3.708 1.00 0.00 C ATOM 461 C VAL A 34 0.824 5.080 4.052 1.00 0.00 C ATOM 462 O VAL A 34 1.005 3.917 4.409 1.00 0.00 O ATOM 463 CB VAL A 34 3.032 5.302 2.793 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.337 4.582 1.635 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.059 6.310 2.274 1.00 0.00 C ATOM 0 H VAL A 34 2.801 5.677 5.625 1.00 0.00 H new ATOM 0 HA VAL A 34 1.620 6.837 3.158 1.00 0.00 H new ATOM 0 HB VAL A 34 3.564 4.555 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.085 4.108 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.663 3.822 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.767 5.302 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.773 5.801 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.549 7.091 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.588 6.757 3.116 1.00 0.00 H new ATOM 475 N LEU A 35 -0.366 5.651 3.933 1.00 0.00 N ATOM 476 CA LEU A 35 -1.583 4.914 4.227 1.00 0.00 C ATOM 477 C LEU A 35 -1.975 4.078 3.007 1.00 0.00 C ATOM 478 O LEU A 35 -2.415 4.619 1.994 1.00 0.00 O ATOM 479 CB LEU A 35 -2.685 5.865 4.700 1.00 0.00 C ATOM 480 CG LEU A 35 -2.333 6.759 5.890 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.544 7.583 6.333 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.748 5.937 7.040 1.00 0.00 C ATOM 0 H LEU A 35 -0.513 6.616 3.637 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.418 4.220 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.971 6.503 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.561 5.272 4.963 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.563 7.462 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.267 8.210 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.876 8.214 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.352 6.913 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.507 6.597 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.477 5.195 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.843 5.432 6.703 1.00 0.00 H new ATOM 494 N LEU A 36 -1.799 2.771 3.144 1.00 0.00 N ATOM 495 CA LEU A 36 -2.129 1.855 2.066 1.00 0.00 C ATOM 496 C LEU A 36 -3.528 1.282 2.299 1.00 0.00 C ATOM 497 O LEU A 36 -3.946 1.101 3.442 1.00 0.00 O ATOM 498 CB LEU A 36 -1.043 0.787 1.920 1.00 0.00 C ATOM 499 CG LEU A 36 0.371 1.301 1.643 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.368 0.144 1.558 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.400 2.176 0.388 1.00 0.00 C ATOM 0 H LEU A 36 -1.432 2.326 3.985 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.156 2.382 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.020 0.194 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.329 0.115 1.111 1.00 0.00 H new ATOM 0 HG LEU A 36 0.677 1.928 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.365 0.537 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.373 -0.402 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.077 -0.529 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.417 2.528 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.066 1.593 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.262 3.031 0.525 1.00 0.00 H new ATOM 513 N ASN A 37 -4.214 1.012 1.198 1.00 0.00 N ATOM 514 CA ASN A 37 -5.557 0.463 1.268 1.00 0.00 C ATOM 515 C ASN A 37 -5.809 -0.417 0.042 1.00 0.00 C ATOM 516 O ASN A 37 -5.343 -0.108 -1.054 1.00 0.00 O ATOM 517 CB ASN A 37 -6.607 1.576 1.275 1.00 0.00 C ATOM 518 CG ASN A 37 -6.180 2.727 2.188 1.00 0.00 C ATOM 519 OD1 ASN A 37 -6.592 2.833 3.331 1.00 0.00 O ATOM 520 ND2 ASN A 37 -5.332 3.581 1.621 1.00 0.00 N ATOM 0 H ASN A 37 -3.864 1.163 0.252 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.637 -0.115 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.755 1.947 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.564 1.176 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.987 4.383 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.027 3.434 0.659 1.00 0.00 H new ATOM 527 N TRP A 38 -6.545 -1.495 0.267 1.00 0.00 N ATOM 528 CA TRP A 38 -6.864 -2.421 -0.806 1.00 0.00 C ATOM 529 C TRP A 38 -8.085 -3.238 -0.378 1.00 0.00 C ATOM 530 O TRP A 38 -8.257 -3.530 0.805 1.00 0.00 O ATOM 531 CB TRP A 38 -5.655 -3.291 -1.157 1.00 0.00 C ATOM 532 CG TRP A 38 -5.126 -4.123 0.014 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.555 -5.320 0.435 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.045 -3.768 0.901 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.833 -5.761 1.525 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.885 -4.787 1.818 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.230 -2.623 0.929 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -2.917 -4.764 2.829 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.267 -2.615 1.946 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.093 -3.634 2.876 1.00 0.00 C ATOM 0 H TRP A 38 -6.930 -1.748 1.177 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.109 -1.882 -1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.927 -3.962 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.854 -2.650 -1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.364 -5.871 -0.021 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.970 -6.640 2.024 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.338 -1.814 0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.812 -5.575 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.614 -1.757 2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.325 -3.554 3.631 1.00 0.00 H new ATOM 551 N GLU A 39 -8.901 -3.584 -1.363 1.00 0.00 N ATOM 552 CA GLU A 39 -10.100 -4.361 -1.103 1.00 0.00 C ATOM 553 C GLU A 39 -9.738 -5.688 -0.432 1.00 0.00 C ATOM 554 O GLU A 39 -8.567 -5.954 -0.166 1.00 0.00 O ATOM 555 CB GLU A 39 -10.891 -4.596 -2.391 1.00 0.00 C ATOM 556 CG GLU A 39 -12.253 -3.901 -2.333 1.00 0.00 C ATOM 557 CD GLU A 39 -13.367 -4.903 -2.024 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.780 -5.603 -2.974 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.781 -4.946 -0.845 1.00 0.00 O ATOM 0 H GLU A 39 -8.755 -3.340 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.736 -3.794 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.324 -4.222 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.031 -5.666 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.236 -3.123 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.455 -3.409 -3.284 1.00 0.00 H new ATOM 566 N GLN A 40 -10.765 -6.486 -0.179 1.00 0.00 N ATOM 567 CA GLN A 40 -10.569 -7.779 0.456 1.00 0.00 C ATOM 568 C GLN A 40 -10.760 -8.904 -0.563 1.00 0.00 C ATOM 569 O GLN A 40 -11.452 -8.729 -1.565 1.00 0.00 O ATOM 570 CB GLN A 40 -11.512 -7.952 1.648 1.00 0.00 C ATOM 571 CG GLN A 40 -12.972 -7.796 1.220 1.00 0.00 C ATOM 572 CD GLN A 40 -13.921 -8.140 2.370 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.563 -8.808 3.326 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.148 -7.647 2.225 1.00 0.00 N ATOM 0 H GLN A 40 -11.735 -6.263 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.548 -7.827 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.363 -8.935 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.273 -7.215 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.151 -6.772 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.176 -8.445 0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.382 -7.095 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.855 -7.821 2.939 1.00 0.00 H new ATOM 583 N VAL A 41 -10.134 -10.035 -0.272 1.00 0.00 N ATOM 584 CA VAL A 41 -10.227 -11.189 -1.150 1.00 0.00 C ATOM 585 C VAL A 41 -10.942 -12.326 -0.417 1.00 0.00 C ATOM 586 O VAL A 41 -10.415 -12.874 0.550 1.00 0.00 O ATOM 587 CB VAL A 41 -8.834 -11.581 -1.647 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.822 -13.020 -2.167 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.340 -10.607 -2.718 1.00 0.00 C ATOM 0 H VAL A 41 -9.560 -10.177 0.559 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.818 -10.950 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.149 -11.525 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.820 -13.273 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.110 -13.699 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.527 -13.114 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.348 -10.908 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.028 -10.616 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.292 -9.601 -2.301 1.00 0.00 H new ATOM 599 N LYS A 42 -12.131 -12.646 -0.906 1.00 0.00 N ATOM 600 CA LYS A 42 -12.924 -13.708 -0.310 1.00 0.00 C ATOM 601 C LYS A 42 -12.840 -14.957 -1.190 1.00 0.00 C ATOM 602 O LYS A 42 -13.224 -14.924 -2.358 1.00 0.00 O ATOM 603 CB LYS A 42 -14.355 -13.230 -0.055 1.00 0.00 C ATOM 604 CG LYS A 42 -14.383 -12.122 1.000 1.00 0.00 C ATOM 605 CD LYS A 42 -14.800 -12.675 2.364 1.00 0.00 C ATOM 606 CE LYS A 42 -16.199 -13.293 2.302 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.875 -13.178 3.613 1.00 0.00 N ATOM 0 H LYS A 42 -12.565 -12.189 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.524 -13.979 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.791 -12.863 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.969 -14.068 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.398 -11.662 1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.077 -11.340 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.081 -13.426 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.784 -11.875 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.791 -12.792 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.127 -14.342 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.823 -13.602 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.318 -13.676 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.961 -12.175 3.873 1.00 0.00 H new ATOM 621 N ALA A 43 -12.336 -16.028 -0.595 1.00 0.00 N ATOM 622 CA ALA A 43 -12.197 -17.285 -1.310 1.00 0.00 C ATOM 623 C ALA A 43 -13.475 -18.109 -1.139 1.00 0.00 C ATOM 624 O ALA A 43 -14.007 -18.212 -0.035 1.00 0.00 O ATOM 625 CB ALA A 43 -10.955 -18.024 -0.808 1.00 0.00 C ATOM 0 H ALA A 43 -12.019 -16.051 0.374 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.061 -17.106 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.851 -18.967 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.071 -17.409 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.056 -18.223 0.259 1.00 0.00 H new ATOM 677 N GLU A 47 -11.536 -22.902 -2.108 1.00 0.00 N ATOM 678 CA GLU A 47 -10.515 -21.885 -1.919 1.00 0.00 C ATOM 679 C GLU A 47 -10.485 -21.428 -0.459 1.00 0.00 C ATOM 680 O GLU A 47 -11.529 -21.154 0.131 1.00 0.00 O ATOM 681 CB GLU A 47 -10.741 -20.700 -2.860 1.00 0.00 C ATOM 682 CG GLU A 47 -10.579 -21.122 -4.322 1.00 0.00 C ATOM 683 CD GLU A 47 -11.810 -20.736 -5.144 1.00 0.00 C ATOM 684 OE1 GLU A 47 -11.898 -19.543 -5.506 1.00 0.00 O ATOM 685 OE2 GLU A 47 -12.634 -21.642 -5.391 1.00 0.00 O ATOM 0 HA GLU A 47 -9.546 -22.321 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.740 -20.292 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.032 -19.905 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.692 -20.649 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.423 -22.199 -4.378 1.00 0.00 H new ATOM 692 N SER A 48 -9.277 -21.360 0.082 1.00 0.00 N ATOM 693 CA SER A 48 -9.097 -20.940 1.461 1.00 0.00 C ATOM 694 C SER A 48 -9.299 -19.428 1.579 1.00 0.00 C ATOM 695 O SER A 48 -8.822 -18.667 0.738 1.00 0.00 O ATOM 696 CB SER A 48 -7.713 -21.333 1.980 1.00 0.00 C ATOM 697 OG SER A 48 -7.742 -22.561 2.703 1.00 0.00 O ATOM 0 H SER A 48 -8.413 -21.589 -0.410 1.00 0.00 H new ATOM 0 HA SER A 48 -9.842 -21.448 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.023 -21.423 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.330 -20.542 2.624 1.00 0.00 H new ATOM 0 HG SER A 48 -6.839 -22.778 3.016 1.00 0.00 H new ATOM 703 N GLU A 49 -10.007 -19.038 2.629 1.00 0.00 N ATOM 704 CA GLU A 49 -10.278 -17.630 2.867 1.00 0.00 C ATOM 705 C GLU A 49 -8.978 -16.884 3.175 1.00 0.00 C ATOM 706 O GLU A 49 -7.967 -17.502 3.508 1.00 0.00 O ATOM 707 CB GLU A 49 -11.293 -17.451 3.998 1.00 0.00 C ATOM 708 CG GLU A 49 -10.622 -17.594 5.365 1.00 0.00 C ATOM 709 CD GLU A 49 -11.576 -18.223 6.382 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.673 -17.651 6.560 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.187 -19.262 6.958 1.00 0.00 O ATOM 0 H GLU A 49 -10.401 -19.672 3.324 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.712 -17.206 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.761 -16.470 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.087 -18.191 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.727 -18.209 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.300 -16.615 5.720 1.00 0.00 H new ATOM 718 N VAL A 50 -9.045 -15.567 3.052 1.00 0.00 N ATOM 719 CA VAL A 50 -7.886 -14.730 3.312 1.00 0.00 C ATOM 720 C VAL A 50 -7.880 -14.320 4.786 1.00 0.00 C ATOM 721 O VAL A 50 -8.803 -13.655 5.253 1.00 0.00 O ATOM 722 CB VAL A 50 -7.880 -13.534 2.358 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.812 -12.516 2.764 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.683 -13.988 0.911 1.00 0.00 C ATOM 0 H VAL A 50 -9.885 -15.058 2.775 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.965 -15.282 3.124 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.852 -13.046 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.828 -11.675 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.016 -12.158 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.830 -12.989 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.683 -13.118 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.731 -14.512 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.494 -14.658 0.626 1.00 0.00 H new ATOM 734 N THR A 51 -6.828 -14.733 5.478 1.00 0.00 N ATOM 735 CA THR A 51 -6.689 -14.416 6.889 1.00 0.00 C ATOM 736 C THR A 51 -5.849 -13.151 7.072 1.00 0.00 C ATOM 737 O THR A 51 -5.860 -12.543 8.141 1.00 0.00 O ATOM 738 CB THR A 51 -6.103 -15.642 7.593 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.807 -15.786 7.018 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.825 -16.936 7.213 1.00 0.00 C ATOM 0 H THR A 51 -6.064 -15.284 5.087 1.00 0.00 H new ATOM 0 HA THR A 51 -7.655 -14.194 7.341 1.00 0.00 H new ATOM 0 HB THR A 51 -6.156 -15.500 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.355 -16.558 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.370 -17.775 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.877 -16.861 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.744 -17.096 6.138 1.00 0.00 H new ATOM 748 N GLY A 52 -5.140 -12.792 6.012 1.00 0.00 N ATOM 749 CA GLY A 52 -4.295 -11.610 6.042 1.00 0.00 C ATOM 750 C GLY A 52 -3.677 -11.343 4.668 1.00 0.00 C ATOM 751 O GLY A 52 -4.066 -11.960 3.677 1.00 0.00 O ATOM 0 H GLY A 52 -5.133 -13.299 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.882 -10.747 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.505 -11.742 6.781 1.00 0.00 H new ATOM 755 N TYR A 53 -2.724 -10.423 4.652 1.00 0.00 N ATOM 756 CA TYR A 53 -2.048 -10.066 3.416 1.00 0.00 C ATOM 757 C TYR A 53 -0.579 -9.724 3.673 1.00 0.00 C ATOM 758 O TYR A 53 -0.145 -9.662 4.822 1.00 0.00 O ATOM 759 CB TYR A 53 -2.765 -8.822 2.887 1.00 0.00 C ATOM 760 CG TYR A 53 -4.137 -9.107 2.274 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.243 -9.411 0.932 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.268 -9.060 3.062 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.535 -9.680 0.354 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.560 -9.329 2.485 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.629 -9.625 1.160 1.00 0.00 C ATOM 766 OH TYR A 53 -7.849 -9.879 0.614 1.00 0.00 O ATOM 0 H TYR A 53 -2.404 -9.914 5.476 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.076 -10.896 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.884 -8.110 3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.135 -8.344 2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.357 -9.447 0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.185 -8.821 4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.632 -9.920 -0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.453 -9.296 3.091 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.970 -9.327 -0.187 1.00 0.00 H new ATOM 776 N LYS A 54 0.145 -9.511 2.584 1.00 0.00 N ATOM 777 CA LYS A 54 1.556 -9.177 2.677 1.00 0.00 C ATOM 778 C LYS A 54 1.832 -7.917 1.855 1.00 0.00 C ATOM 779 O LYS A 54 1.535 -7.872 0.662 1.00 0.00 O ATOM 780 CB LYS A 54 2.418 -10.375 2.275 1.00 0.00 C ATOM 781 CG LYS A 54 2.313 -11.498 3.310 1.00 0.00 C ATOM 782 CD LYS A 54 3.305 -12.621 3.002 1.00 0.00 C ATOM 783 CE LYS A 54 3.718 -13.353 4.281 1.00 0.00 C ATOM 784 NZ LYS A 54 5.037 -14.000 4.105 1.00 0.00 N ATOM 0 H LYS A 54 -0.219 -9.563 1.633 1.00 0.00 H new ATOM 0 HA LYS A 54 1.827 -8.951 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.102 -10.744 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.458 -10.063 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.507 -11.099 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.298 -11.896 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.856 -13.327 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.188 -12.208 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.760 -12.649 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.969 -14.103 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.418 -14.270 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.931 -14.849 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.690 -13.336 3.643 1.00 0.00 H new ATOM 798 N VAL A 55 2.398 -6.924 2.525 1.00 0.00 N ATOM 799 CA VAL A 55 2.718 -5.666 1.871 1.00 0.00 C ATOM 800 C VAL A 55 4.181 -5.686 1.426 1.00 0.00 C ATOM 801 O VAL A 55 5.078 -5.390 2.214 1.00 0.00 O ATOM 802 CB VAL A 55 2.392 -4.495 2.801 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.617 -3.156 2.095 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.961 -4.600 3.333 1.00 0.00 C ATOM 0 H VAL A 55 2.643 -6.965 3.514 1.00 0.00 H new ATOM 0 HA VAL A 55 2.108 -5.534 0.977 1.00 0.00 H new ATOM 0 HB VAL A 55 3.071 -4.544 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.378 -2.340 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.660 -3.078 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.974 -3.095 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.755 -3.756 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.261 -4.589 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.847 -5.530 3.889 1.00 0.00 H new ATOM 814 N PHE A 56 4.378 -6.038 0.164 1.00 0.00 N ATOM 815 CA PHE A 56 5.717 -6.100 -0.396 1.00 0.00 C ATOM 816 C PHE A 56 6.141 -4.741 -0.956 1.00 0.00 C ATOM 817 O PHE A 56 5.743 -4.368 -2.058 1.00 0.00 O ATOM 818 CB PHE A 56 5.679 -7.118 -1.537 1.00 0.00 C ATOM 819 CG PHE A 56 5.675 -8.576 -1.070 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.503 -9.182 -0.743 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.845 -9.264 -0.983 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.500 -10.535 -0.310 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.842 -10.617 -0.550 1.00 0.00 C ATOM 824 CZ PHE A 56 5.670 -11.223 -0.223 1.00 0.00 C ATOM 0 H PHE A 56 3.632 -6.283 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 56 6.430 -6.383 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.790 -6.938 -2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.542 -6.956 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.574 -8.635 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.776 -8.782 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.569 -11.017 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.771 -11.164 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.668 -12.252 0.106 1.00 0.00 H new ATOM 834 N TYR A 57 6.944 -4.037 -0.170 1.00 0.00 N ATOM 835 CA TYR A 57 7.426 -2.727 -0.574 1.00 0.00 C ATOM 836 C TYR A 57 8.924 -2.765 -0.880 1.00 0.00 C ATOM 837 O TYR A 57 9.697 -3.373 -0.142 1.00 0.00 O ATOM 838 CB TYR A 57 7.185 -1.803 0.621 1.00 0.00 C ATOM 839 CG TYR A 57 7.685 -2.365 1.954 1.00 0.00 C ATOM 840 CD1 TYR A 57 8.975 -2.107 2.371 1.00 0.00 C ATOM 841 CD2 TYR A 57 6.846 -3.130 2.738 1.00 0.00 C ATOM 842 CE1 TYR A 57 9.445 -2.636 3.625 1.00 0.00 C ATOM 843 CE2 TYR A 57 7.316 -3.659 3.992 1.00 0.00 C ATOM 844 CZ TYR A 57 8.593 -3.386 4.373 1.00 0.00 C ATOM 845 OH TYR A 57 9.037 -3.885 5.558 1.00 0.00 O ATOM 0 H TYR A 57 7.272 -4.349 0.744 1.00 0.00 H new ATOM 0 HA TYR A 57 6.912 -2.389 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.677 -0.848 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.117 -1.601 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.632 -1.509 1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.837 -3.332 2.411 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.452 -2.441 3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.670 -4.259 4.616 1.00 0.00 H new ATOM 0 HH TYR A 57 10.017 -3.865 5.575 1.00 0.00 H new ATOM 855 N ARG A 58 9.290 -2.107 -1.971 1.00 0.00 N ATOM 856 CA ARG A 58 10.682 -2.058 -2.384 1.00 0.00 C ATOM 857 C ARG A 58 10.936 -0.820 -3.247 1.00 0.00 C ATOM 858 O ARG A 58 10.072 -0.410 -4.020 1.00 0.00 O ATOM 859 CB ARG A 58 11.066 -3.310 -3.175 1.00 0.00 C ATOM 860 CG ARG A 58 9.932 -3.739 -4.108 1.00 0.00 C ATOM 861 CD ARG A 58 10.477 -4.490 -5.325 1.00 0.00 C ATOM 862 NE ARG A 58 10.686 -3.550 -6.449 1.00 0.00 N ATOM 863 CZ ARG A 58 10.946 -3.930 -7.707 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.032 -5.233 -8.010 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.121 -3.008 -8.663 1.00 0.00 N ATOM 0 H ARG A 58 8.646 -1.604 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 58 11.294 -2.009 -1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.966 -3.114 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.302 -4.121 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.232 -4.376 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.375 -2.861 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.417 -4.979 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.780 -5.274 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 58 10.628 -2.551 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.899 -5.936 -7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.230 -5.522 -8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.056 -2.016 -8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.319 -3.298 -9.621 1.00 0.00 H new ATOM 879 N THR A 59 12.125 -0.260 -3.085 1.00 0.00 N ATOM 880 CA THR A 59 12.504 0.923 -3.840 1.00 0.00 C ATOM 881 C THR A 59 12.423 0.646 -5.342 1.00 0.00 C ATOM 882 O THR A 59 12.290 -0.504 -5.759 1.00 0.00 O ATOM 883 CB THR A 59 13.897 1.354 -3.376 1.00 0.00 C ATOM 884 OG1 THR A 59 13.742 1.581 -1.978 1.00 0.00 O ATOM 885 CG2 THR A 59 14.303 2.719 -3.933 1.00 0.00 C ATOM 0 H THR A 59 12.839 -0.603 -2.442 1.00 0.00 H new ATOM 0 HA THR A 59 11.815 1.747 -3.656 1.00 0.00 H new ATOM 0 HB THR A 59 14.629 0.606 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.599 1.863 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.299 2.977 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.309 2.680 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.590 3.474 -3.601 1.00 0.00 H new ATOM 893 N SER A 60 12.507 1.719 -6.115 1.00 0.00 N ATOM 894 CA SER A 60 12.444 1.605 -7.562 1.00 0.00 C ATOM 895 C SER A 60 13.289 0.419 -8.031 1.00 0.00 C ATOM 896 O SER A 60 12.987 -0.197 -9.052 1.00 0.00 O ATOM 897 CB SER A 60 12.919 2.894 -8.236 1.00 0.00 C ATOM 898 OG SER A 60 14.281 2.811 -8.649 1.00 0.00 O ATOM 0 H SER A 60 12.618 2.671 -5.766 1.00 0.00 H new ATOM 0 HA SER A 60 11.405 1.438 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.290 3.104 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.800 3.729 -7.546 1.00 0.00 H new ATOM 0 HG SER A 60 14.456 3.487 -9.336 1.00 0.00 H new ATOM 960 N VAL A 65 12.818 -7.434 -1.832 1.00 0.00 N ATOM 961 CA VAL A 65 11.684 -6.709 -1.286 1.00 0.00 C ATOM 962 C VAL A 65 11.360 -7.252 0.108 1.00 0.00 C ATOM 963 O VAL A 65 11.650 -8.408 0.410 1.00 0.00 O ATOM 964 CB VAL A 65 10.498 -6.789 -2.249 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.062 -8.240 -2.463 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.330 -5.934 -1.754 1.00 0.00 C ATOM 0 HA VAL A 65 11.925 -5.652 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 65 10.821 -6.390 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.217 -8.268 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.891 -8.811 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.767 -8.676 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.501 -6.009 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.009 -6.289 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.647 -4.894 -1.677 1.00 0.00 H new ATOM 976 N GLN A 66 10.762 -6.391 0.919 1.00 0.00 N ATOM 977 CA GLN A 66 10.396 -6.770 2.273 1.00 0.00 C ATOM 978 C GLN A 66 8.932 -7.212 2.323 1.00 0.00 C ATOM 979 O GLN A 66 8.235 -7.177 1.310 1.00 0.00 O ATOM 980 CB GLN A 66 10.656 -5.624 3.252 1.00 0.00 C ATOM 981 CG GLN A 66 12.154 -5.458 3.517 1.00 0.00 C ATOM 982 CD GLN A 66 12.405 -4.438 4.629 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.063 -4.642 5.782 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.019 -3.332 4.220 1.00 0.00 N ATOM 0 H GLN A 66 10.522 -5.433 0.664 1.00 0.00 H new ATOM 0 HA GLN A 66 11.020 -7.611 2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.250 -4.697 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.136 -5.818 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.586 -6.419 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.655 -5.136 2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.278 -3.225 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.231 -2.590 4.887 1.00 0.00 H new ATOM 993 N VAL A 67 8.510 -7.618 3.511 1.00 0.00 N ATOM 994 CA VAL A 67 7.142 -8.067 3.706 1.00 0.00 C ATOM 995 C VAL A 67 6.635 -7.569 5.061 1.00 0.00 C ATOM 996 O VAL A 67 7.363 -7.603 6.051 1.00 0.00 O ATOM 997 CB VAL A 67 7.064 -9.588 3.561 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.768 -10.131 4.167 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.202 -10.007 2.096 1.00 0.00 C ATOM 0 H VAL A 67 9.091 -7.645 4.349 1.00 0.00 H new ATOM 0 HA VAL A 67 6.490 -7.647 2.940 1.00 0.00 H new ATOM 0 HB VAL A 67 7.899 -10.020 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.738 -11.214 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.728 -9.879 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.914 -9.687 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.143 -11.093 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.398 -9.559 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.163 -9.668 1.710 1.00 0.00 H new ATOM 1009 N LEU A 68 5.389 -7.117 5.061 1.00 0.00 N ATOM 1010 CA LEU A 68 4.776 -6.613 6.278 1.00 0.00 C ATOM 1011 C LEU A 68 3.463 -7.357 6.529 1.00 0.00 C ATOM 1012 O LEU A 68 2.618 -7.450 5.639 1.00 0.00 O ATOM 1013 CB LEU A 68 4.618 -5.092 6.208 1.00 0.00 C ATOM 1014 CG LEU A 68 3.364 -4.517 6.870 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.660 -3.166 7.523 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.208 -4.430 5.872 1.00 0.00 C ATOM 0 H LEU A 68 4.788 -7.089 4.237 1.00 0.00 H new ATOM 0 HA LEU A 68 5.420 -6.804 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.492 -4.634 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.620 -4.794 5.159 1.00 0.00 H new ATOM 0 HG LEU A 68 3.054 -5.197 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.752 -2.779 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.431 -3.291 8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.008 -2.464 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.329 -4.018 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.492 -3.784 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.978 -5.426 5.494 1.00 0.00 H new ATOM 1028 N ASN A 69 3.331 -7.867 7.744 1.00 0.00 N ATOM 1029 CA ASN A 69 2.135 -8.600 8.123 1.00 0.00 C ATOM 1030 C ASN A 69 1.003 -7.609 8.403 1.00 0.00 C ATOM 1031 O ASN A 69 1.225 -6.560 9.005 1.00 0.00 O ATOM 1032 CB ASN A 69 2.371 -9.419 9.394 1.00 0.00 C ATOM 1033 CG ASN A 69 3.137 -10.707 9.081 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.260 -10.911 9.511 1.00 0.00 O ATOM 1035 ND2 ASN A 69 2.468 -11.561 8.312 1.00 0.00 N ATOM 0 H ASN A 69 4.033 -7.787 8.480 1.00 0.00 H new ATOM 0 HA ASN A 69 1.876 -9.271 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.931 -8.824 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.415 -9.663 9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.893 -12.450 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.530 -11.327 7.986 1.00 0.00 H new ATOM 1042 N THR A 70 -0.187 -7.978 7.952 1.00 0.00 N ATOM 1043 CA THR A 70 -1.355 -7.135 8.146 1.00 0.00 C ATOM 1044 C THR A 70 -2.631 -7.979 8.122 1.00 0.00 C ATOM 1045 O THR A 70 -2.947 -8.605 7.111 1.00 0.00 O ATOM 1046 CB THR A 70 -1.330 -6.040 7.078 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.693 -5.640 6.959 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.978 -6.582 5.691 1.00 0.00 C ATOM 0 H THR A 70 -0.368 -8.849 7.453 1.00 0.00 H new ATOM 0 HA THR A 70 -1.339 -6.655 9.124 1.00 0.00 H new ATOM 0 HB THR A 70 -0.609 -5.273 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.739 -4.760 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.974 -5.764 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.009 -7.044 5.721 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.718 -7.325 5.392 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.331 -7.968 9.247 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.566 -8.724 9.368 1.00 0.00 C ATOM 1058 C ASN A 71 -5.741 -7.846 8.933 1.00 0.00 C ATOM 1059 O ASN A 71 -6.891 -8.139 9.254 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.808 -9.155 10.816 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.632 -9.977 11.348 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.768 -9.486 12.056 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.647 -11.251 10.968 1.00 0.00 N ATOM 0 H ASN A 71 -3.066 -7.447 10.083 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.483 -9.609 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.953 -8.274 11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.724 -9.743 10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.905 -11.882 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.401 -11.597 10.374 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.410 -6.788 8.208 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.424 -5.865 7.725 1.00 0.00 C ATOM 1072 C LYS A 72 -6.304 -5.731 6.206 1.00 0.00 C ATOM 1073 O LYS A 72 -5.536 -6.456 5.574 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.333 -4.531 8.470 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.927 -4.313 9.033 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.682 -2.834 9.338 1.00 0.00 C ATOM 1077 CE LYS A 72 -4.349 -2.627 10.817 1.00 0.00 C ATOM 1078 NZ LYS A 72 -4.562 -1.214 11.203 1.00 0.00 N ATOM 0 H LYS A 72 -4.454 -6.549 7.943 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.422 -6.252 7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.589 -3.715 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.061 -4.513 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.800 -4.901 9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.186 -4.668 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.863 -2.463 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.567 -2.254 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.974 -3.276 11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.313 -2.910 11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.332 -1.091 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.948 -0.601 10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.556 -0.956 11.041 1.00 0.00 H new ATOM 1092 N THR A 73 -7.073 -4.799 5.663 1.00 0.00 N ATOM 1093 CA THR A 73 -7.062 -4.561 4.230 1.00 0.00 C ATOM 1094 C THR A 73 -6.238 -3.314 3.903 1.00 0.00 C ATOM 1095 O THR A 73 -6.216 -2.862 2.759 1.00 0.00 O ATOM 1096 CB THR A 73 -8.514 -4.471 3.755 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.244 -4.133 4.931 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.080 -5.831 3.342 1.00 0.00 C ATOM 0 H THR A 73 -7.708 -4.199 6.190 1.00 0.00 H new ATOM 0 HA THR A 73 -6.580 -5.380 3.697 1.00 0.00 H new ATOM 0 HB THR A 73 -8.579 -3.781 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.196 -4.053 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.112 -5.711 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.485 -6.240 2.526 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.047 -6.512 4.192 1.00 0.00 H new ATOM 1106 N SER A 74 -5.579 -2.793 4.928 1.00 0.00 N ATOM 1107 CA SER A 74 -4.755 -1.608 4.764 1.00 0.00 C ATOM 1108 C SER A 74 -3.355 -1.862 5.326 1.00 0.00 C ATOM 1109 O SER A 74 -3.018 -2.993 5.673 1.00 0.00 O ATOM 1110 CB SER A 74 -5.390 -0.397 5.450 1.00 0.00 C ATOM 1111 OG SER A 74 -6.103 0.425 4.530 1.00 0.00 O ATOM 0 H SER A 74 -5.599 -3.170 5.875 1.00 0.00 H new ATOM 0 HA SER A 74 -4.678 -1.390 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.068 -0.738 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.613 0.193 5.936 1.00 0.00 H new ATOM 0 HG SER A 74 -5.502 1.110 4.169 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.577 -0.792 5.397 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.221 -0.885 5.910 1.00 0.00 C ATOM 1119 C ALA A 75 -0.630 0.521 6.034 1.00 0.00 C ATOM 1120 O ALA A 75 -1.228 1.492 5.574 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.390 -1.788 4.997 1.00 0.00 C ATOM 0 H ALA A 75 -2.860 0.144 5.108 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.217 -1.334 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.627 -1.858 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.835 -2.783 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.369 -1.368 3.991 1.00 0.00 H new ATOM 1127 N GLU A 76 0.537 0.584 6.658 1.00 0.00 N ATOM 1128 CA GLU A 76 1.216 1.855 6.849 1.00 0.00 C ATOM 1129 C GLU A 76 2.729 1.673 6.719 1.00 0.00 C ATOM 1130 O GLU A 76 3.345 0.973 7.522 1.00 0.00 O ATOM 1131 CB GLU A 76 0.852 2.474 8.200 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.607 2.937 8.215 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.146 3.002 9.645 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.735 3.938 10.365 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.957 2.115 9.987 1.00 0.00 O ATOM 0 H GLU A 76 1.030 -0.224 7.038 1.00 0.00 H new ATOM 0 HA GLU A 76 0.884 2.542 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.014 1.745 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.508 3.320 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.686 3.919 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.216 2.253 7.624 1.00 0.00 H new ATOM 1142 N LEU A 77 3.286 2.315 5.703 1.00 0.00 N ATOM 1143 CA LEU A 77 4.716 2.233 5.458 1.00 0.00 C ATOM 1144 C LEU A 77 5.352 3.599 5.717 1.00 0.00 C ATOM 1145 O LEU A 77 4.667 4.544 6.105 1.00 0.00 O ATOM 1146 CB LEU A 77 4.988 1.683 4.056 1.00 0.00 C ATOM 1147 CG LEU A 77 4.564 0.234 3.810 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.262 -0.005 2.329 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.612 -0.743 4.346 1.00 0.00 C ATOM 0 H LEU A 77 2.772 2.895 5.039 1.00 0.00 H new ATOM 0 HA LEU A 77 5.182 1.529 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.477 2.318 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.056 1.767 3.855 1.00 0.00 H new ATOM 0 HG LEU A 77 3.641 0.050 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.963 -1.043 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.454 0.654 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.154 0.203 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.286 -1.766 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.563 -0.568 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.735 -0.593 5.419 1.00 0.00 H new ATOM 1161 N VAL A 78 6.657 3.661 5.492 1.00 0.00 N ATOM 1162 CA VAL A 78 7.394 4.896 5.696 1.00 0.00 C ATOM 1163 C VAL A 78 7.529 5.631 4.361 1.00 0.00 C ATOM 1164 O VAL A 78 7.511 5.008 3.301 1.00 0.00 O ATOM 1165 CB VAL A 78 8.743 4.598 6.354 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.553 3.903 7.703 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.632 3.766 5.428 1.00 0.00 C ATOM 0 H VAL A 78 7.222 2.875 5.170 1.00 0.00 H new ATOM 0 HA VAL A 78 6.854 5.555 6.376 1.00 0.00 H new ATOM 0 HB VAL A 78 9.245 5.548 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.527 3.702 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.976 4.547 8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.021 2.963 7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.585 3.568 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.138 2.821 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.808 4.315 4.503 1.00 0.00 H new ATOM 1177 N LEU A 79 7.661 6.946 4.457 1.00 0.00 N ATOM 1178 CA LEU A 79 7.799 7.773 3.270 1.00 0.00 C ATOM 1179 C LEU A 79 9.074 7.376 2.523 1.00 0.00 C ATOM 1180 O LEU A 79 10.081 7.038 3.143 1.00 0.00 O ATOM 1181 CB LEU A 79 7.739 9.256 3.640 1.00 0.00 C ATOM 1182 CG LEU A 79 8.719 9.718 4.721 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.166 9.589 4.240 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.394 11.139 5.185 1.00 0.00 C ATOM 0 H LEU A 79 7.675 7.459 5.338 1.00 0.00 H new ATOM 0 HA LEU A 79 6.965 7.605 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.920 9.842 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.727 9.486 3.973 1.00 0.00 H new ATOM 0 HG LEU A 79 8.607 9.064 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.842 9.924 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.378 8.547 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.310 10.204 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.105 11.443 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.460 11.822 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.384 11.166 5.595 1.00 0.00 H new ATOM 1196 N PRO A 80 8.986 7.432 1.167 1.00 0.00 N ATOM 1197 CA PRO A 80 10.120 7.082 0.329 1.00 0.00 C ATOM 1198 C PRO A 80 11.174 8.192 0.341 1.00 0.00 C ATOM 1199 O PRO A 80 10.854 9.359 0.116 1.00 0.00 O ATOM 1200 CB PRO A 80 9.530 6.839 -1.051 1.00 0.00 C ATOM 1201 CG PRO A 80 8.166 7.509 -1.044 1.00 0.00 C ATOM 1202 CD PRO A 80 7.809 7.827 0.399 1.00 0.00 C ATOM 0 HA PRO A 80 10.647 6.196 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.168 7.260 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.440 5.772 -1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.185 8.420 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.416 6.853 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.589 8.887 0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.924 7.276 0.719 1.00 0.00 H new ATOM 1210 N ILE A 81 12.408 7.790 0.606 1.00 0.00 N ATOM 1211 CA ILE A 81 13.510 8.736 0.650 1.00 0.00 C ATOM 1212 C ILE A 81 13.927 9.094 -0.778 1.00 0.00 C ATOM 1213 O ILE A 81 13.936 10.266 -1.150 1.00 0.00 O ATOM 1214 CB ILE A 81 14.653 8.186 1.505 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.151 7.767 2.888 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.804 9.191 1.594 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.641 6.325 2.872 1.00 0.00 C ATOM 0 H ILE A 81 12.669 6.822 0.792 1.00 0.00 H new ATOM 0 HA ILE A 81 13.198 9.662 1.133 1.00 0.00 H new ATOM 0 HB ILE A 81 15.043 7.292 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.957 7.864 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.352 8.436 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.603 8.775 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.184 9.398 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.445 10.116 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.290 6.052 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.820 6.237 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.450 5.656 2.576 1.00 0.00 H new ATOM 1229 N LYS A 82 14.262 8.062 -1.539 1.00 0.00 N ATOM 1230 CA LYS A 82 14.679 8.253 -2.917 1.00 0.00 C ATOM 1231 C LYS A 82 14.196 7.071 -3.760 1.00 0.00 C ATOM 1232 O LYS A 82 13.828 6.028 -3.221 1.00 0.00 O ATOM 1233 CB LYS A 82 16.189 8.486 -2.993 1.00 0.00 C ATOM 1234 CG LYS A 82 16.521 9.975 -2.885 1.00 0.00 C ATOM 1235 CD LYS A 82 17.733 10.332 -3.747 1.00 0.00 C ATOM 1236 CE LYS A 82 18.464 11.554 -3.188 1.00 0.00 C ATOM 1237 NZ LYS A 82 18.905 12.442 -4.286 1.00 0.00 N ATOM 0 H LYS A 82 14.253 7.091 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 82 14.220 9.150 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.685 7.940 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.574 8.091 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.661 10.566 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.722 10.232 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.416 9.483 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.410 10.533 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.806 12.101 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.326 11.233 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.399 13.266 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.549 11.922 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.077 12.763 -4.827 1.00 0.00 H new ATOM 1251 N GLU A 83 14.213 7.273 -5.070 1.00 0.00 N ATOM 1252 CA GLU A 83 13.781 6.236 -5.992 1.00 0.00 C ATOM 1253 C GLU A 83 12.319 5.869 -5.732 1.00 0.00 C ATOM 1254 O GLU A 83 11.869 5.873 -4.587 1.00 0.00 O ATOM 1255 CB GLU A 83 14.682 5.004 -5.893 1.00 0.00 C ATOM 1256 CG GLU A 83 15.831 5.081 -6.900 1.00 0.00 C ATOM 1257 CD GLU A 83 17.124 4.527 -6.300 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.325 4.744 -5.085 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.884 3.900 -7.070 1.00 0.00 O ATOM 0 H GLU A 83 14.519 8.139 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 83 13.862 6.624 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.084 4.924 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.094 4.104 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.572 4.518 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.982 6.116 -7.206 1.00 0.00 H new ATOM 1266 N ASP A 84 11.617 5.561 -6.813 1.00 0.00 N ATOM 1267 CA ASP A 84 10.215 5.193 -6.715 1.00 0.00 C ATOM 1268 C ASP A 84 10.060 4.060 -5.699 1.00 0.00 C ATOM 1269 O ASP A 84 11.049 3.549 -5.177 1.00 0.00 O ATOM 1270 CB ASP A 84 9.681 4.697 -8.061 1.00 0.00 C ATOM 1271 CG ASP A 84 9.089 5.783 -8.961 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.886 6.073 -8.783 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.852 6.299 -9.806 1.00 0.00 O ATOM 0 H ASP A 84 11.993 5.559 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 84 9.655 6.076 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.492 4.204 -8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.916 3.943 -7.876 1.00 0.00 H new ATOM 1278 N TYR A 85 8.809 3.700 -5.448 1.00 0.00 N ATOM 1279 CA TYR A 85 8.511 2.637 -4.504 1.00 0.00 C ATOM 1280 C TYR A 85 7.511 1.643 -5.095 1.00 0.00 C ATOM 1281 O TYR A 85 6.401 2.020 -5.469 1.00 0.00 O ATOM 1282 CB TYR A 85 7.878 3.318 -3.289 1.00 0.00 C ATOM 1283 CG TYR A 85 8.497 2.906 -1.952 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.865 2.762 -1.840 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.687 2.679 -0.857 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.447 2.375 -0.581 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.269 2.292 0.401 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.621 2.159 0.477 1.00 0.00 C ATOM 1289 OH TYR A 85 10.171 1.793 1.666 1.00 0.00 O ATOM 0 H TYR A 85 7.990 4.126 -5.883 1.00 0.00 H new ATOM 0 HA TYR A 85 9.416 2.085 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.969 4.398 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.813 3.088 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.499 2.939 -2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.616 2.792 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.516 2.259 -0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.647 2.111 1.265 1.00 0.00 H new ATOM 0 HH TYR A 85 9.462 1.674 2.332 1.00 0.00 H new ATOM 1299 N ILE A 86 7.939 0.390 -5.162 1.00 0.00 N ATOM 1300 CA ILE A 86 7.094 -0.662 -5.702 1.00 0.00 C ATOM 1301 C ILE A 86 6.465 -1.446 -4.549 1.00 0.00 C ATOM 1302 O ILE A 86 7.138 -2.238 -3.891 1.00 0.00 O ATOM 1303 CB ILE A 86 7.884 -1.533 -6.680 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.204 -0.765 -7.964 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.147 -2.843 -6.965 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.872 0.575 -7.648 1.00 0.00 C ATOM 0 H ILE A 86 8.860 0.080 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 86 6.275 -0.235 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 86 8.835 -1.792 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.861 -1.363 -8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.287 -0.595 -8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.730 -3.444 -7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.013 -3.395 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.172 -2.625 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.089 1.101 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.203 1.180 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.801 0.400 -7.105 1.00 0.00 H new ATOM 1318 N ILE A 87 5.180 -1.199 -4.339 1.00 0.00 N ATOM 1319 CA ILE A 87 4.452 -1.872 -3.277 1.00 0.00 C ATOM 1320 C ILE A 87 3.557 -2.954 -3.885 1.00 0.00 C ATOM 1321 O ILE A 87 2.856 -2.706 -4.865 1.00 0.00 O ATOM 1322 CB ILE A 87 3.694 -0.857 -2.420 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.497 0.436 -2.263 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.309 -1.460 -1.067 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.165 1.131 -0.941 1.00 0.00 C ATOM 0 H ILE A 87 4.624 -0.542 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 87 5.143 -2.373 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 87 2.767 -0.601 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.563 0.213 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.280 1.106 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.771 -0.717 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.671 -2.330 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.210 -1.763 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.749 2.047 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.103 1.374 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.406 0.467 -0.111 1.00 0.00 H new ATOM 1337 N GLU A 88 3.609 -4.131 -3.278 1.00 0.00 N ATOM 1338 CA GLU A 88 2.812 -5.251 -3.747 1.00 0.00 C ATOM 1339 C GLU A 88 2.009 -5.852 -2.591 1.00 0.00 C ATOM 1340 O GLU A 88 2.568 -6.172 -1.543 1.00 0.00 O ATOM 1341 CB GLU A 88 3.693 -6.311 -4.412 1.00 0.00 C ATOM 1342 CG GLU A 88 3.796 -6.071 -5.919 1.00 0.00 C ATOM 1343 CD GLU A 88 3.421 -7.331 -6.702 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.026 -8.384 -6.405 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.539 -7.214 -7.579 1.00 0.00 O ATOM 0 H GLU A 88 4.191 -4.333 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 88 2.112 -4.884 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.688 -6.292 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.279 -7.302 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.138 -5.251 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.812 -5.769 -6.174 1.00 0.00 H new ATOM 1352 N VAL A 89 0.711 -5.987 -2.822 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.174 -6.544 -1.813 1.00 0.00 C ATOM 1354 C VAL A 89 -0.486 -8.000 -2.162 1.00 0.00 C ATOM 1355 O VAL A 89 -0.948 -8.293 -3.264 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.429 -5.678 -1.683 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.371 -6.236 -0.614 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.063 -4.223 -1.387 1.00 0.00 C ATOM 0 H VAL A 89 0.251 -5.720 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 89 0.310 -6.541 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.954 -5.703 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.255 -5.602 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.671 -7.248 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.859 -6.256 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.973 -3.629 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.505 -4.171 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.450 -3.830 -2.198 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.220 -8.875 -1.203 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.466 -10.294 -1.396 1.00 0.00 C ATOM 1370 C LYS A 90 -1.428 -10.792 -0.315 1.00 0.00 C ATOM 1371 O LYS A 90 -1.402 -10.305 0.815 1.00 0.00 O ATOM 1372 CB LYS A 90 0.854 -11.065 -1.446 1.00 0.00 C ATOM 1373 CG LYS A 90 1.303 -11.289 -2.892 1.00 0.00 C ATOM 1374 CD LYS A 90 2.184 -12.536 -3.006 1.00 0.00 C ATOM 1375 CE LYS A 90 3.306 -12.323 -4.023 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.942 -12.919 -5.328 1.00 0.00 N ATOM 0 H LYS A 90 0.163 -8.629 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.948 -10.469 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.622 -10.514 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.738 -12.026 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.430 -11.396 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.854 -10.417 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.612 -12.774 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.575 -13.390 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.498 -11.257 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.228 -12.773 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.435 -12.413 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.220 -13.921 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.915 -12.843 -5.470 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.252 -11.755 -0.699 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.220 -12.323 0.224 1.00 0.00 C ATOM 1392 C ALA A 91 -2.629 -13.580 0.866 1.00 0.00 C ATOM 1393 O ALA A 91 -1.937 -14.352 0.204 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.528 -12.608 -0.518 1.00 0.00 C ATOM 0 H ALA A 91 -2.270 -12.157 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.446 -11.618 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.254 -13.034 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.922 -11.679 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.341 -13.314 -1.327 1.00 0.00 H new ATOM 1400 N THR A 92 -2.924 -13.746 2.147 1.00 0.00 N ATOM 1401 CA THR A 92 -2.430 -14.896 2.886 1.00 0.00 C ATOM 1402 C THR A 92 -3.593 -15.794 3.312 1.00 0.00 C ATOM 1403 O THR A 92 -4.695 -15.311 3.567 1.00 0.00 O ATOM 1404 CB THR A 92 -1.597 -14.381 4.061 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.557 -13.793 4.936 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.688 -13.214 3.668 1.00 0.00 C ATOM 0 H THR A 92 -3.499 -13.104 2.692 1.00 0.00 H new ATOM 0 HA THR A 92 -1.788 -15.521 2.264 1.00 0.00 H new ATOM 0 HB THR A 92 -0.991 -15.195 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.102 -13.434 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.119 -12.887 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.001 -13.536 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.296 -12.387 3.300 1.00 0.00 H new ATOM 1414 N THR A 93 -3.307 -17.087 3.377 1.00 0.00 N ATOM 1415 CA THR A 93 -4.315 -18.057 3.768 1.00 0.00 C ATOM 1416 C THR A 93 -3.710 -19.106 4.705 1.00 0.00 C ATOM 1417 O THR A 93 -2.590 -18.941 5.186 1.00 0.00 O ATOM 1418 CB THR A 93 -4.916 -18.655 2.494 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.783 -19.091 1.748 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.566 -17.596 1.601 1.00 0.00 C ATOM 0 H THR A 93 -2.392 -17.484 3.165 1.00 0.00 H new ATOM 0 HA THR A 93 -5.119 -17.586 4.333 1.00 0.00 H new ATOM 0 HB THR A 93 -5.657 -19.409 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.992 -19.938 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.977 -18.073 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.367 -17.100 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.818 -16.860 1.306 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.479 -20.160 4.935 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.033 -21.235 5.805 1.00 0.00 C ATOM 1430 C ASP A 94 -2.984 -22.075 5.074 1.00 0.00 C ATOM 1431 O ASP A 94 -2.306 -22.899 5.686 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.195 -22.155 6.183 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.299 -22.486 7.673 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -5.768 -21.601 8.420 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.906 -23.618 8.032 1.00 0.00 O ATOM 0 H ASP A 94 -5.408 -20.293 4.534 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.618 -20.788 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.127 -21.688 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.098 -23.086 5.625 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.882 -21.838 3.774 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.927 -22.562 2.953 1.00 0.00 C ATOM 1442 C GLY A 95 -0.629 -21.768 2.791 1.00 0.00 C ATOM 1443 O GLY A 95 0.455 -22.347 2.745 1.00 0.00 O ATOM 0 H GLY A 95 -3.446 -21.154 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.711 -23.529 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.361 -22.760 1.973 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.783 -20.455 2.710 1.00 0.00 N ATOM 1448 CA GLY A 96 0.363 -19.575 2.555 1.00 0.00 C ATOM 1449 C GLY A 96 -0.058 -18.225 1.971 1.00 0.00 C ATOM 1450 O GLY A 96 -1.065 -17.653 2.383 1.00 0.00 O ATOM 0 H GLY A 96 -1.684 -19.979 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.843 -19.423 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.100 -20.043 1.903 1.00 0.00 H new ATOM 1454 N ASP A 97 0.736 -17.755 1.019 1.00 0.00 N ATOM 1455 CA ASP A 97 0.459 -16.483 0.374 1.00 0.00 C ATOM 1456 C ASP A 97 -0.509 -16.706 -0.789 1.00 0.00 C ATOM 1457 O ASP A 97 -1.031 -17.806 -0.965 1.00 0.00 O ATOM 1458 CB ASP A 97 1.738 -15.860 -0.188 1.00 0.00 C ATOM 1459 CG ASP A 97 3.010 -16.168 0.605 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.168 -15.558 1.684 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.796 -17.008 0.113 1.00 0.00 O ATOM 0 H ASP A 97 1.571 -18.233 0.679 1.00 0.00 H new ATOM 0 HA ASP A 97 0.030 -15.814 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.874 -16.207 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.608 -14.779 -0.232 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.720 -15.645 -1.554 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.616 -15.711 -2.696 1.00 0.00 C ATOM 1468 C GLY A 98 -1.053 -14.924 -3.881 1.00 0.00 C ATOM 1469 O GLY A 98 0.136 -15.014 -4.182 1.00 0.00 O ATOM 0 H GLY A 98 -0.286 -14.734 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.767 -16.751 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.592 -15.312 -2.420 1.00 0.00 H new ATOM 1473 N THR A 99 -1.935 -14.171 -4.522 1.00 0.00 N ATOM 1474 CA THR A 99 -1.541 -13.369 -5.668 1.00 0.00 C ATOM 1475 C THR A 99 -1.173 -11.952 -5.225 1.00 0.00 C ATOM 1476 O THR A 99 -1.657 -11.471 -4.202 1.00 0.00 O ATOM 1477 CB THR A 99 -2.680 -13.410 -6.688 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.122 -14.765 -6.661 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.189 -13.207 -8.123 1.00 0.00 C ATOM 0 H THR A 99 -2.921 -14.099 -4.270 1.00 0.00 H new ATOM 0 HA THR A 99 -0.646 -13.771 -6.143 1.00 0.00 H new ATOM 0 HB THR A 99 -3.414 -12.642 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.862 -14.880 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.037 -13.245 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.699 -12.237 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.480 -13.994 -8.380 1.00 0.00 H new ATOM 1487 N SER A 100 -0.318 -11.322 -6.018 1.00 0.00 N ATOM 1488 CA SER A 100 0.121 -9.969 -5.721 1.00 0.00 C ATOM 1489 C SER A 100 -0.553 -8.979 -6.673 1.00 0.00 C ATOM 1490 O SER A 100 -0.514 -9.157 -7.889 1.00 0.00 O ATOM 1491 CB SER A 100 1.643 -9.849 -5.821 1.00 0.00 C ATOM 1492 OG SER A 100 2.069 -9.547 -7.147 1.00 0.00 O ATOM 0 H SER A 100 0.082 -11.724 -6.866 1.00 0.00 H new ATOM 0 HA SER A 100 -0.168 -9.733 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.991 -9.070 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.102 -10.783 -5.496 1.00 0.00 H new ATOM 0 HG SER A 100 1.771 -8.645 -7.389 1.00 0.00 H new ATOM 1498 N SER A 101 -1.156 -7.957 -6.083 1.00 0.00 N ATOM 1499 CA SER A 101 -1.838 -6.939 -6.864 1.00 0.00 C ATOM 1500 C SER A 101 -0.816 -6.088 -7.621 1.00 0.00 C ATOM 1501 O SER A 101 0.377 -6.137 -7.326 1.00 0.00 O ATOM 1502 CB SER A 101 -2.709 -6.053 -5.972 1.00 0.00 C ATOM 1503 OG SER A 101 -1.938 -5.348 -5.003 1.00 0.00 O ATOM 0 H SER A 101 -1.186 -7.812 -5.074 1.00 0.00 H new ATOM 0 HA SER A 101 -2.489 -7.438 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.253 -5.340 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.453 -6.668 -5.466 1.00 0.00 H new ATOM 0 HG SER A 101 -1.790 -4.429 -5.309 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.321 -5.328 -8.581 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.467 -4.468 -9.383 1.00 0.00 C ATOM 1511 C GLU A 102 0.434 -3.625 -8.479 1.00 0.00 C ATOM 1512 O GLU A 102 -0.053 -2.899 -7.613 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.299 -3.580 -10.310 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.361 -4.168 -11.722 1.00 0.00 C ATOM 1515 CD GLU A 102 -0.681 -3.241 -12.732 1.00 0.00 C ATOM 1516 OE1 GLU A 102 0.274 -2.551 -12.315 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -1.132 -3.244 -13.898 1.00 0.00 O ATOM 0 H GLU A 102 -2.311 -5.290 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 102 0.165 -5.097 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.308 -3.476 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.866 -2.580 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.876 -5.144 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.401 -4.325 -12.009 1.00 0.00 H new ATOM 1524 N GLN A 103 1.733 -3.747 -8.711 1.00 0.00 N ATOM 1525 CA GLN A 103 2.706 -3.005 -7.929 1.00 0.00 C ATOM 1526 C GLN A 103 2.353 -1.517 -7.915 1.00 0.00 C ATOM 1527 O GLN A 103 2.002 -0.949 -8.948 1.00 0.00 O ATOM 1528 CB GLN A 103 4.123 -3.227 -8.463 1.00 0.00 C ATOM 1529 CG GLN A 103 4.510 -2.134 -9.461 1.00 0.00 C ATOM 1530 CD GLN A 103 5.838 -2.464 -10.146 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.238 -3.610 -10.263 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.496 -1.397 -10.591 1.00 0.00 N ATOM 0 H GLN A 103 2.134 -4.349 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 103 2.677 -3.375 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.831 -3.235 -7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.185 -4.203 -8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.726 -2.027 -10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.590 -1.177 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.104 -0.465 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.393 -1.511 -11.063 1.00 0.00 H new ATOM 1541 N ILE A 104 2.456 -0.927 -6.733 1.00 0.00 N ATOM 1542 CA ILE A 104 2.152 0.484 -6.571 1.00 0.00 C ATOM 1543 C ILE A 104 3.408 1.309 -6.861 1.00 0.00 C ATOM 1544 O ILE A 104 4.504 0.947 -6.438 1.00 0.00 O ATOM 1545 CB ILE A 104 1.549 0.747 -5.190 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.711 -0.444 -4.721 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.748 2.051 -5.180 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.414 0.010 -3.789 1.00 0.00 C ATOM 0 H ILE A 104 2.746 -1.401 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 104 1.393 0.795 -7.289 1.00 0.00 H new ATOM 0 HB ILE A 104 2.366 0.866 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.288 -0.958 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.349 -1.161 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.330 2.214 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.403 2.883 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.061 1.987 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.994 -0.856 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.014 0.502 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.064 0.708 -4.316 1.00 0.00 H new ATOM 1560 N ARG A 105 3.205 2.402 -7.581 1.00 0.00 N ATOM 1561 CA ARG A 105 4.307 3.281 -7.933 1.00 0.00 C ATOM 1562 C ARG A 105 4.222 4.585 -7.136 1.00 0.00 C ATOM 1563 O ARG A 105 3.442 5.473 -7.475 1.00 0.00 O ATOM 1564 CB ARG A 105 4.298 3.605 -9.429 1.00 0.00 C ATOM 1565 CG ARG A 105 5.723 3.694 -9.979 1.00 0.00 C ATOM 1566 CD ARG A 105 5.763 3.322 -11.462 1.00 0.00 C ATOM 1567 NE ARG A 105 6.961 3.911 -12.100 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.356 3.640 -13.352 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.650 2.788 -14.107 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.457 4.221 -13.848 1.00 0.00 N ATOM 0 H ARG A 105 2.294 2.699 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 105 5.234 2.762 -7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.744 2.837 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.780 4.549 -9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.106 4.705 -9.844 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.376 3.028 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.778 2.238 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.862 3.681 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 105 7.522 4.564 -11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.812 2.346 -13.729 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.950 2.582 -15.060 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.995 4.870 -13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.757 4.015 -14.801 1.00 0.00 H new ATOM 1584 N ILE A 106 5.035 4.657 -6.093 1.00 0.00 N ATOM 1585 CA ILE A 106 5.061 5.837 -5.245 1.00 0.00 C ATOM 1586 C ILE A 106 6.402 6.553 -5.416 1.00 0.00 C ATOM 1587 O ILE A 106 7.396 6.174 -4.798 1.00 0.00 O ATOM 1588 CB ILE A 106 4.745 5.462 -3.795 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.345 4.856 -3.679 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.929 6.663 -2.866 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.152 4.180 -2.319 1.00 0.00 C ATOM 0 H ILE A 106 5.681 3.918 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 106 4.283 6.539 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 106 5.454 4.698 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.595 5.636 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.192 4.128 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.698 6.370 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.961 7.010 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.259 7.466 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.149 3.757 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.888 3.385 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.281 4.916 -1.525 1.00 0.00 H new ATOM 1603 N PRO A 107 6.387 7.603 -6.281 1.00 0.00 N ATOM 1604 CA PRO A 107 7.589 8.376 -6.541 1.00 0.00 C ATOM 1605 C PRO A 107 7.910 9.303 -5.367 1.00 0.00 C ATOM 1606 O PRO A 107 7.051 9.568 -4.528 1.00 0.00 O ATOM 1607 CB PRO A 107 7.302 9.128 -7.831 1.00 0.00 C ATOM 1608 CG PRO A 107 5.790 9.112 -7.995 1.00 0.00 C ATOM 1609 CD PRO A 107 5.228 8.080 -7.030 1.00 0.00 C ATOM 0 HA PRO A 107 8.476 7.751 -6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.679 10.150 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.792 8.650 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.373 10.097 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.520 8.862 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.483 8.521 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.738 7.265 -7.563 1.00 0.00 H new ATOM 1617 N ARG A 108 9.150 9.770 -5.346 1.00 0.00 N ATOM 1618 CA ARG A 108 9.595 10.661 -4.288 1.00 0.00 C ATOM 1619 C ARG A 108 8.482 11.643 -3.917 1.00 0.00 C ATOM 1620 O ARG A 108 7.754 12.119 -4.787 1.00 0.00 O ATOM 1621 CB ARG A 108 10.836 11.447 -4.717 1.00 0.00 C ATOM 1622 CG ARG A 108 12.097 10.589 -4.597 1.00 0.00 C ATOM 1623 CD ARG A 108 13.014 10.789 -5.806 1.00 0.00 C ATOM 1624 NE ARG A 108 13.248 12.233 -6.029 1.00 0.00 N ATOM 1625 CZ ARG A 108 14.185 12.724 -6.853 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.980 11.889 -7.535 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.327 14.049 -6.993 1.00 0.00 N ATOM 0 H ARG A 108 9.860 9.548 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 108 9.847 10.048 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.719 11.785 -5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.938 12.338 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.632 10.848 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.820 9.538 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.963 10.279 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.563 10.344 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 108 12.660 12.896 -5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.872 10.880 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.693 12.262 -8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.722 14.685 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.040 14.422 -7.620 1.00 0.00 H new