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 51 THR OG1 : rot 180:sc=0.000808 USER MOD Set 1.2: A 92 THR OG1 : rot 160:sc= -3.69! USER MOD Set 2.1: A 48 SER OG : rot -163:sc= -8.65! USER MOD Set 2.2: A 93 THR OG1 : rot 43:sc= 0.536 USER MOD Set 3.1: A 37 ASN :FLIP amide:sc= -2.03! C(o=-2.2!,f=-1.4!) USER MOD Set 3.2: A 74 SER OG : rot -67:sc= 0.667 USER MOD Single : A 16 THR OG1 : rot -32:sc= 0.557 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00489 X(o=-0.0049,f=0.45) USER MOD Single : A 24 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.088) USER MOD Single : A 28 ASN : amide:sc= -2.01 K(o=-2,f=-2.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -1.89 (180deg=-2.3) USER MOD Single : A 40 GLN : amide:sc=-0.00536 X(o=-0.0054,f=-0.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -40:sc= -1.73! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 163:sc= -0.296 USER MOD Single : A 71 ASN : amide:sc=-0.00404 X(o=-0.004,f=-0.47) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.122 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 100 SER OG : rot -180:sc= -1.23 USER MOD Single : A 101 SER OG : rot -34:sc= -0.932 USER MOD Single : A 103 GLN : amide:sc= -4.16! C(o=-4.2!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -5.288 -24.576 -1.053 1.00 0.00 N ATOM 199 CA THR A 16 -4.709 -23.638 -2.000 1.00 0.00 C ATOM 200 C THR A 16 -5.329 -22.251 -1.824 1.00 0.00 C ATOM 201 O THR A 16 -6.420 -22.120 -1.271 1.00 0.00 O ATOM 202 CB THR A 16 -4.892 -24.212 -3.406 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.268 -24.579 -3.455 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.146 -25.534 -3.601 1.00 0.00 C ATOM 0 HA THR A 16 -3.641 -23.506 -1.824 1.00 0.00 H new ATOM 0 HB THR A 16 -4.544 -23.487 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.564 -24.858 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.309 -25.898 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.080 -25.377 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.517 -26.270 -2.888 1.00 0.00 H new ATOM 212 N PRO A 17 -4.588 -21.223 -2.319 1.00 0.00 N ATOM 213 CA PRO A 17 -5.055 -19.850 -2.222 1.00 0.00 C ATOM 214 C PRO A 17 -6.171 -19.578 -3.233 1.00 0.00 C ATOM 215 O PRO A 17 -6.397 -20.374 -4.143 1.00 0.00 O ATOM 216 CB PRO A 17 -3.819 -18.998 -2.458 1.00 0.00 C ATOM 217 CG PRO A 17 -2.807 -19.908 -3.135 1.00 0.00 C ATOM 218 CD PRO A 17 -3.292 -21.340 -2.981 1.00 0.00 C ATOM 0 HA PRO A 17 -5.500 -19.624 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.052 -18.138 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.427 -18.610 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.707 -19.650 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.823 -19.788 -2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.385 -21.833 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.596 -21.932 -2.387 1.00 0.00 H new ATOM 226 N PRO A 18 -6.857 -18.420 -3.034 1.00 0.00 N ATOM 227 CA PRO A 18 -7.944 -18.033 -3.917 1.00 0.00 C ATOM 228 C PRO A 18 -7.407 -17.525 -5.256 1.00 0.00 C ATOM 229 O PRO A 18 -8.142 -17.464 -6.241 1.00 0.00 O ATOM 230 CB PRO A 18 -8.718 -16.975 -3.147 1.00 0.00 C ATOM 231 CG PRO A 18 -7.776 -16.476 -2.063 1.00 0.00 C ATOM 232 CD PRO A 18 -6.616 -17.454 -1.966 1.00 0.00 C ATOM 0 HA PRO A 18 -8.592 -18.869 -4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.025 -16.161 -3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.626 -17.394 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.413 -15.477 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.297 -16.405 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.659 -16.948 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.588 -17.940 -0.991 1.00 0.00 H new ATOM 240 N SER A 19 -6.130 -17.173 -5.251 1.00 0.00 N ATOM 241 CA SER A 19 -5.486 -16.672 -6.453 1.00 0.00 C ATOM 242 C SER A 19 -6.120 -15.343 -6.871 1.00 0.00 C ATOM 243 O SER A 19 -5.876 -14.854 -7.973 1.00 0.00 O ATOM 244 CB SER A 19 -5.582 -17.687 -7.593 1.00 0.00 C ATOM 245 OG SER A 19 -4.386 -18.450 -7.731 1.00 0.00 O ATOM 0 H SER A 19 -5.523 -17.225 -4.433 1.00 0.00 H new ATOM 0 HA SER A 19 -4.430 -16.511 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.421 -18.358 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.789 -17.165 -8.527 1.00 0.00 H new ATOM 0 HG SER A 19 -4.488 -19.088 -8.468 1.00 0.00 H new ATOM 251 N GLN A 20 -6.921 -14.797 -5.968 1.00 0.00 N ATOM 252 CA GLN A 20 -7.592 -13.534 -6.230 1.00 0.00 C ATOM 253 C GLN A 20 -6.796 -12.376 -5.626 1.00 0.00 C ATOM 254 O GLN A 20 -6.693 -12.259 -4.406 1.00 0.00 O ATOM 255 CB GLN A 20 -9.025 -13.554 -5.694 1.00 0.00 C ATOM 256 CG GLN A 20 -10.014 -13.957 -6.789 1.00 0.00 C ATOM 257 CD GLN A 20 -11.022 -14.983 -6.266 1.00 0.00 C ATOM 258 OE1 GLN A 20 -10.674 -16.068 -5.832 1.00 0.00 O ATOM 259 NE2 GLN A 20 -12.288 -14.580 -6.332 1.00 0.00 N ATOM 0 H GLN A 20 -7.121 -15.205 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.645 -13.389 -7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.096 -14.253 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.286 -12.569 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.542 -13.074 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.472 -14.374 -7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.511 -13.658 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.036 -15.193 -6.008 1.00 0.00 H new ATOM 268 N PRO A 21 -6.240 -11.527 -6.531 1.00 0.00 N ATOM 269 CA PRO A 21 -5.457 -10.381 -6.100 1.00 0.00 C ATOM 270 C PRO A 21 -6.361 -9.270 -5.561 1.00 0.00 C ATOM 271 O PRO A 21 -7.493 -9.111 -6.015 1.00 0.00 O ATOM 272 CB PRO A 21 -4.667 -9.960 -7.328 1.00 0.00 C ATOM 273 CG PRO A 21 -5.378 -10.587 -8.516 1.00 0.00 C ATOM 274 CD PRO A 21 -6.342 -11.634 -7.983 1.00 0.00 C ATOM 0 HA PRO A 21 -4.787 -10.617 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.637 -8.874 -7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.634 -10.304 -7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.915 -9.827 -9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.657 -11.042 -9.195 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.360 -11.445 -8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.072 -12.633 -8.326 1.00 0.00 H new ATOM 282 N PRO A 22 -5.813 -8.511 -4.575 1.00 0.00 N ATOM 283 CA PRO A 22 -6.557 -7.420 -3.970 1.00 0.00 C ATOM 284 C PRO A 22 -6.623 -6.214 -4.909 1.00 0.00 C ATOM 285 O PRO A 22 -5.593 -5.719 -5.364 1.00 0.00 O ATOM 286 CB PRO A 22 -5.828 -7.120 -2.670 1.00 0.00 C ATOM 287 CG PRO A 22 -4.445 -7.733 -2.816 1.00 0.00 C ATOM 288 CD PRO A 22 -4.475 -8.670 -4.013 1.00 0.00 C ATOM 0 HA PRO A 22 -7.599 -7.678 -3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.763 -6.046 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.357 -7.548 -1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.696 -6.955 -2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.171 -8.277 -1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.706 -8.408 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.292 -9.702 -3.713 1.00 0.00 H new ATOM 296 N GLY A 23 -7.846 -5.775 -5.171 1.00 0.00 N ATOM 297 CA GLY A 23 -8.060 -4.637 -6.048 1.00 0.00 C ATOM 298 C GLY A 23 -8.209 -3.344 -5.243 1.00 0.00 C ATOM 299 O GLY A 23 -7.968 -3.329 -4.037 1.00 0.00 O ATOM 0 H GLY A 23 -8.698 -6.187 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.223 -4.544 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.954 -4.800 -6.650 1.00 0.00 H new ATOM 303 N ASN A 24 -8.606 -2.291 -5.942 1.00 0.00 N ATOM 304 CA ASN A 24 -8.790 -0.997 -5.307 1.00 0.00 C ATOM 305 C ASN A 24 -7.560 -0.671 -4.458 1.00 0.00 C ATOM 306 O ASN A 24 -7.649 0.091 -3.497 1.00 0.00 O ATOM 307 CB ASN A 24 -10.011 -1.005 -4.386 1.00 0.00 C ATOM 308 CG ASN A 24 -10.747 0.335 -4.440 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.969 0.992 -3.436 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.113 0.703 -5.665 1.00 0.00 N ATOM 0 H ASN A 24 -8.805 -2.307 -6.942 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.934 -0.254 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.687 -1.808 -4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.698 -1.211 -3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.611 1.582 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.896 0.106 -6.463 1.00 0.00 H new ATOM 317 N VAL A 25 -6.440 -1.264 -4.844 1.00 0.00 N ATOM 318 CA VAL A 25 -5.193 -1.046 -4.131 1.00 0.00 C ATOM 319 C VAL A 25 -4.779 0.420 -4.273 1.00 0.00 C ATOM 320 O VAL A 25 -4.101 0.787 -5.232 1.00 0.00 O ATOM 321 CB VAL A 25 -4.125 -2.020 -4.633 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.811 -1.833 -3.872 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.614 -3.467 -4.535 1.00 0.00 C ATOM 0 H VAL A 25 -6.370 -1.896 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.322 -1.246 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.938 -1.799 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.069 -2.537 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.450 -0.815 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.977 -2.014 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.836 -4.139 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.843 -3.704 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.512 -3.590 -5.141 1.00 0.00 H new ATOM 333 N VAL A 26 -5.203 1.218 -3.304 1.00 0.00 N ATOM 334 CA VAL A 26 -4.884 2.636 -3.310 1.00 0.00 C ATOM 335 C VAL A 26 -3.828 2.921 -2.240 1.00 0.00 C ATOM 336 O VAL A 26 -3.667 2.145 -1.299 1.00 0.00 O ATOM 337 CB VAL A 26 -6.160 3.459 -3.124 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.183 3.139 -4.216 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.757 3.240 -1.733 1.00 0.00 C ATOM 0 H VAL A 26 -5.764 0.910 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.461 2.929 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.894 4.512 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.081 3.737 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.757 3.370 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.441 2.081 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.663 3.837 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.000 2.185 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.034 3.541 -0.975 1.00 0.00 H new ATOM 349 N TRP A 27 -3.136 4.036 -2.420 1.00 0.00 N ATOM 350 CA TRP A 27 -2.100 4.433 -1.482 1.00 0.00 C ATOM 351 C TRP A 27 -2.289 5.919 -1.169 1.00 0.00 C ATOM 352 O TRP A 27 -3.173 6.567 -1.727 1.00 0.00 O ATOM 353 CB TRP A 27 -0.709 4.111 -2.032 1.00 0.00 C ATOM 354 CG TRP A 27 -0.417 4.744 -3.394 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.777 4.299 -4.605 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.317 5.963 -3.635 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.332 5.138 -5.606 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.355 6.182 -4.997 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.928 6.851 -2.733 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.992 7.285 -5.579 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.561 7.948 -3.330 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.608 8.183 -4.699 1.00 0.00 C ATOM 0 H TRP A 27 -3.272 4.677 -3.202 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.184 3.868 -0.554 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.041 4.450 -1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.604 3.029 -2.115 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.345 3.396 -4.777 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.480 5.015 -6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.911 6.699 -1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.007 7.435 -6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.047 8.662 -2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.118 9.055 -5.082 1.00 0.00 H new ATOM 373 N ASN A 28 -1.444 6.416 -0.277 1.00 0.00 N ATOM 374 CA ASN A 28 -1.508 7.813 0.116 1.00 0.00 C ATOM 375 C ASN A 28 -0.249 8.173 0.908 1.00 0.00 C ATOM 376 O ASN A 28 0.476 7.289 1.364 1.00 0.00 O ATOM 377 CB ASN A 28 -2.720 8.079 1.010 1.00 0.00 C ATOM 378 CG ASN A 28 -3.962 8.391 0.171 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.780 7.533 -0.117 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.056 9.664 -0.203 1.00 0.00 N ATOM 0 H ASN A 28 -0.712 5.876 0.184 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.589 8.415 -0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.911 7.209 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.508 8.914 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.849 9.973 -0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.335 10.331 0.073 1.00 0.00 H new ATOM 387 N ALA A 29 -0.027 9.472 1.047 1.00 0.00 N ATOM 388 CA ALA A 29 1.132 9.959 1.776 1.00 0.00 C ATOM 389 C ALA A 29 0.711 11.126 2.672 1.00 0.00 C ATOM 390 O ALA A 29 0.274 12.165 2.180 1.00 0.00 O ATOM 391 CB ALA A 29 2.230 10.351 0.786 1.00 0.00 C ATOM 0 H ALA A 29 -0.630 10.202 0.667 1.00 0.00 H new ATOM 0 HA ALA A 29 1.537 9.178 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.099 10.716 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.513 9.481 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.861 11.135 0.125 1.00 0.00 H new ATOM 397 N THR A 30 0.858 10.915 3.972 1.00 0.00 N ATOM 398 CA THR A 30 0.499 11.936 4.941 1.00 0.00 C ATOM 399 C THR A 30 1.509 11.959 6.090 1.00 0.00 C ATOM 400 O THR A 30 2.187 10.965 6.346 1.00 0.00 O ATOM 401 CB THR A 30 -0.936 11.669 5.399 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.037 12.357 6.643 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.171 10.202 5.765 1.00 0.00 C ATOM 0 H THR A 30 1.221 10.052 4.377 1.00 0.00 H new ATOM 0 HA THR A 30 0.535 12.931 4.498 1.00 0.00 H new ATOM 0 HB THR A 30 -1.629 11.962 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.938 12.238 7.010 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.205 10.067 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.974 9.574 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.502 9.918 6.577 1.00 0.00 H new ATOM 411 N ASP A 31 1.577 13.104 6.753 1.00 0.00 N ATOM 412 CA ASP A 31 2.493 13.270 7.869 1.00 0.00 C ATOM 413 C ASP A 31 3.886 12.790 7.455 1.00 0.00 C ATOM 414 O ASP A 31 4.674 13.559 6.906 1.00 0.00 O ATOM 415 CB ASP A 31 2.047 12.442 9.075 1.00 0.00 C ATOM 416 CG ASP A 31 0.939 13.076 9.920 1.00 0.00 C ATOM 417 OD1 ASP A 31 0.190 13.897 9.349 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.868 12.724 11.118 1.00 0.00 O ATOM 0 H ASP A 31 1.013 13.926 6.539 1.00 0.00 H new ATOM 0 HA ASP A 31 2.506 14.325 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.703 11.470 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.912 12.262 9.713 1.00 0.00 H new ATOM 423 N THR A 32 4.147 11.522 7.736 1.00 0.00 N ATOM 424 CA THR A 32 5.431 10.930 7.400 1.00 0.00 C ATOM 425 C THR A 32 5.300 9.412 7.264 1.00 0.00 C ATOM 426 O THR A 32 6.148 8.666 7.750 1.00 0.00 O ATOM 427 CB THR A 32 6.442 11.360 8.465 1.00 0.00 C ATOM 428 OG1 THR A 32 5.820 11.007 9.697 1.00 0.00 O ATOM 429 CG2 THR A 32 6.596 12.880 8.546 1.00 0.00 C ATOM 0 H THR A 32 3.491 10.888 8.193 1.00 0.00 H new ATOM 0 HA THR A 32 5.787 11.281 6.432 1.00 0.00 H new ATOM 0 HB THR A 32 7.410 10.909 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.409 11.250 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.325 13.131 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.938 13.263 7.585 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.635 13.330 8.794 1.00 0.00 H new ATOM 437 N LYS A 33 4.229 9.000 6.601 1.00 0.00 N ATOM 438 CA LYS A 33 3.976 7.584 6.395 1.00 0.00 C ATOM 439 C LYS A 33 3.166 7.397 5.111 1.00 0.00 C ATOM 440 O LYS A 33 2.711 8.370 4.512 1.00 0.00 O ATOM 441 CB LYS A 33 3.316 6.972 7.633 1.00 0.00 C ATOM 442 CG LYS A 33 1.823 7.303 7.679 1.00 0.00 C ATOM 443 CD LYS A 33 1.220 6.930 9.035 1.00 0.00 C ATOM 444 CE LYS A 33 0.760 8.177 9.792 1.00 0.00 C ATOM 445 NZ LYS A 33 -0.339 8.850 9.063 1.00 0.00 N ATOM 0 H LYS A 33 3.527 9.622 6.200 1.00 0.00 H new ATOM 0 HA LYS A 33 4.914 7.045 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.452 5.891 7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.803 7.348 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.677 8.367 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.303 6.766 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.375 6.257 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.958 6.391 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.425 7.900 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.597 8.864 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.337 9.865 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.204 8.726 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.249 8.433 9.345 1.00 0.00 H new ATOM 459 N VAL A 34 3.009 6.138 4.726 1.00 0.00 N ATOM 460 CA VAL A 34 2.262 5.811 3.524 1.00 0.00 C ATOM 461 C VAL A 34 1.037 4.976 3.901 1.00 0.00 C ATOM 462 O VAL A 34 1.165 3.809 4.266 1.00 0.00 O ATOM 463 CB VAL A 34 3.175 5.111 2.515 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.359 4.481 1.383 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.224 6.077 1.962 1.00 0.00 C ATOM 0 H VAL A 34 3.387 5.333 5.226 1.00 0.00 H new ATOM 0 HA VAL A 34 1.900 6.718 3.040 1.00 0.00 H new ATOM 0 HB VAL A 34 3.699 4.310 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.031 3.990 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.668 3.747 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.796 5.257 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.860 5.554 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.726 6.909 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.835 6.458 2.780 1.00 0.00 H new ATOM 475 N LEU A 35 -0.124 5.608 3.801 1.00 0.00 N ATOM 476 CA LEU A 35 -1.371 4.938 4.128 1.00 0.00 C ATOM 477 C LEU A 35 -1.830 4.109 2.926 1.00 0.00 C ATOM 478 O LEU A 35 -2.266 4.662 1.917 1.00 0.00 O ATOM 479 CB LEU A 35 -2.412 5.949 4.611 1.00 0.00 C ATOM 480 CG LEU A 35 -1.925 6.974 5.637 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.085 7.830 6.150 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.169 6.291 6.778 1.00 0.00 C ATOM 0 H LEU A 35 -0.227 6.577 3.498 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.225 4.245 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.797 6.486 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.249 5.401 5.044 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.223 7.645 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.712 8.550 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.542 8.361 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.829 7.189 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.834 7.042 7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.829 5.582 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.305 5.761 6.376 1.00 0.00 H new ATOM 494 N LEU A 36 -1.715 2.798 3.073 1.00 0.00 N ATOM 495 CA LEU A 36 -2.113 1.888 2.012 1.00 0.00 C ATOM 496 C LEU A 36 -3.527 1.373 2.291 1.00 0.00 C ATOM 497 O LEU A 36 -3.913 1.203 3.446 1.00 0.00 O ATOM 498 CB LEU A 36 -1.076 0.776 1.843 1.00 0.00 C ATOM 499 CG LEU A 36 0.338 1.228 1.471 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.261 0.026 1.265 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.315 2.148 0.249 1.00 0.00 C ATOM 0 H LEU A 36 -1.352 2.343 3.911 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.146 2.410 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.022 0.212 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.431 0.089 1.074 1.00 0.00 H new ATOM 0 HG LEU A 36 0.742 1.806 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.259 0.375 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.311 -0.556 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.871 -0.599 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.332 2.455 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.116 1.616 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.287 3.030 0.469 1.00 0.00 H new ATOM 513 N ASN A 37 -4.260 1.140 1.212 1.00 0.00 N ATOM 514 CA ASN A 37 -5.623 0.648 1.326 1.00 0.00 C ATOM 515 C ASN A 37 -5.989 -0.126 0.058 1.00 0.00 C ATOM 516 O ASN A 37 -5.825 0.380 -1.051 1.00 0.00 O ATOM 517 CB ASN A 37 -6.614 1.803 1.478 1.00 0.00 C ATOM 518 CG ASN A 37 -5.997 2.955 2.274 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.113 3.674 1.588 1.00 0.00 O flip ATOM 520 ND2 ASN A 37 -6.304 3.176 3.434 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.936 1.283 0.255 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.678 0.008 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.917 2.158 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.514 1.450 1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.991 2.584 3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.874 3.953 3.936 1.00 0.00 H new ATOM 527 N TRP A 38 -6.477 -1.340 0.265 1.00 0.00 N ATOM 528 CA TRP A 38 -6.868 -2.189 -0.848 1.00 0.00 C ATOM 529 C TRP A 38 -8.141 -2.937 -0.448 1.00 0.00 C ATOM 530 O TRP A 38 -8.487 -2.994 0.731 1.00 0.00 O ATOM 531 CB TRP A 38 -5.727 -3.124 -1.251 1.00 0.00 C ATOM 532 CG TRP A 38 -5.210 -4.003 -0.110 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.621 -5.230 0.238 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.162 -3.670 0.825 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.918 -5.710 1.324 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.002 -4.731 1.692 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.374 -2.510 0.933 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.063 -4.739 2.730 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.440 -2.533 1.976 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.267 -3.594 2.857 1.00 0.00 C ATOM 0 H TRP A 38 -6.611 -1.756 1.187 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.080 -1.590 -1.734 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.066 -3.765 -2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.902 -2.527 -1.639 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.404 -5.775 -0.268 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.047 -6.616 1.774 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.481 -1.668 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.958 -5.582 3.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.810 -1.665 2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.522 -3.536 3.636 1.00 0.00 H new ATOM 551 N GLU A 39 -8.804 -3.492 -1.453 1.00 0.00 N ATOM 552 CA GLU A 39 -10.031 -4.234 -1.220 1.00 0.00 C ATOM 553 C GLU A 39 -9.729 -5.543 -0.489 1.00 0.00 C ATOM 554 O GLU A 39 -8.601 -5.771 -0.056 1.00 0.00 O ATOM 555 CB GLU A 39 -10.769 -4.498 -2.534 1.00 0.00 C ATOM 556 CG GLU A 39 -12.095 -3.735 -2.581 1.00 0.00 C ATOM 557 CD GLU A 39 -13.280 -4.684 -2.396 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.734 -5.232 -3.424 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.706 -4.840 -1.231 1.00 0.00 O ATOM 0 H GLU A 39 -8.514 -3.442 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.684 -3.631 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.142 -4.198 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.956 -5.566 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.109 -2.974 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.186 -3.215 -3.535 1.00 0.00 H new ATOM 566 N GLN A 40 -10.758 -6.370 -0.373 1.00 0.00 N ATOM 567 CA GLN A 40 -10.617 -7.651 0.299 1.00 0.00 C ATOM 568 C GLN A 40 -10.723 -8.795 -0.712 1.00 0.00 C ATOM 569 O GLN A 40 -11.266 -8.617 -1.802 1.00 0.00 O ATOM 570 CB GLN A 40 -11.656 -7.804 1.411 1.00 0.00 C ATOM 571 CG GLN A 40 -13.071 -7.579 0.874 1.00 0.00 C ATOM 572 CD GLN A 40 -14.121 -7.970 1.916 1.00 0.00 C ATOM 573 OE1 GLN A 40 -14.074 -9.033 2.514 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.069 -7.055 2.099 1.00 0.00 N ATOM 0 H GLN A 40 -11.693 -6.178 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.631 -7.690 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.583 -8.800 1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.448 -7.091 2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.198 -6.532 0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.217 -8.166 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.049 -6.186 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.816 -7.222 2.773 1.00 0.00 H new ATOM 583 N VAL A 41 -10.197 -9.944 -0.314 1.00 0.00 N ATOM 584 CA VAL A 41 -10.226 -11.117 -1.172 1.00 0.00 C ATOM 585 C VAL A 41 -10.878 -12.278 -0.419 1.00 0.00 C ATOM 586 O VAL A 41 -10.375 -12.711 0.617 1.00 0.00 O ATOM 587 CB VAL A 41 -8.813 -11.441 -1.662 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.701 -12.909 -2.078 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.404 -10.513 -2.808 1.00 0.00 C ATOM 0 H VAL A 41 -9.748 -10.088 0.591 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.828 -10.926 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.124 -11.274 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.687 -13.113 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.930 -13.547 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.406 -13.114 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.396 -10.764 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.098 -10.634 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.426 -9.479 -2.464 1.00 0.00 H new ATOM 599 N LYS A 42 -11.988 -12.748 -0.968 1.00 0.00 N ATOM 600 CA LYS A 42 -12.715 -13.850 -0.361 1.00 0.00 C ATOM 601 C LYS A 42 -12.608 -15.083 -1.261 1.00 0.00 C ATOM 602 O LYS A 42 -13.026 -15.050 -2.417 1.00 0.00 O ATOM 603 CB LYS A 42 -14.155 -13.437 -0.052 1.00 0.00 C ATOM 604 CG LYS A 42 -14.256 -12.788 1.330 1.00 0.00 C ATOM 605 CD LYS A 42 -15.715 -12.533 1.711 1.00 0.00 C ATOM 606 CE LYS A 42 -16.007 -13.030 3.128 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.461 -12.995 3.401 1.00 0.00 N ATOM 0 H LYS A 42 -12.402 -12.386 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.272 -14.116 0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.508 -12.739 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.805 -14.311 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.790 -13.434 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.705 -11.847 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.931 -11.467 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.373 -13.036 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.633 -14.047 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.480 -12.410 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.641 -13.336 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.808 -12.019 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.957 -13.606 2.721 1.00 0.00 H new ATOM 621 N ALA A 43 -12.046 -16.141 -0.696 1.00 0.00 N ATOM 622 CA ALA A 43 -11.878 -17.382 -1.433 1.00 0.00 C ATOM 623 C ALA A 43 -13.213 -18.128 -1.476 1.00 0.00 C ATOM 624 O ALA A 43 -14.050 -17.962 -0.591 1.00 0.00 O ATOM 625 CB ALA A 43 -10.766 -18.213 -0.789 1.00 0.00 C ATOM 0 H ALA A 43 -11.701 -16.165 0.264 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.579 -17.180 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.640 -19.144 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.833 -17.650 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.032 -18.438 0.244 1.00 0.00 H new ATOM 677 N GLU A 47 -11.766 -23.093 -1.439 1.00 0.00 N ATOM 678 CA GLU A 47 -10.454 -22.470 -1.463 1.00 0.00 C ATOM 679 C GLU A 47 -10.088 -21.950 -0.072 1.00 0.00 C ATOM 680 O GLU A 47 -10.909 -21.985 0.844 1.00 0.00 O ATOM 681 CB GLU A 47 -10.400 -21.346 -2.500 1.00 0.00 C ATOM 682 CG GLU A 47 -10.344 -21.912 -3.920 1.00 0.00 C ATOM 683 CD GLU A 47 -9.067 -21.468 -4.637 1.00 0.00 C ATOM 684 OE1 GLU A 47 -8.023 -22.108 -4.385 1.00 0.00 O ATOM 685 OE2 GLU A 47 -9.164 -20.499 -5.421 1.00 0.00 O ATOM 0 HA GLU A 47 -9.721 -23.223 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.276 -20.706 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.525 -20.721 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.385 -23.001 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.216 -21.579 -4.483 1.00 0.00 H new ATOM 692 N SER A 48 -8.854 -21.481 0.044 1.00 0.00 N ATOM 693 CA SER A 48 -8.369 -20.955 1.308 1.00 0.00 C ATOM 694 C SER A 48 -8.795 -19.494 1.466 1.00 0.00 C ATOM 695 O SER A 48 -8.482 -18.658 0.619 1.00 0.00 O ATOM 696 CB SER A 48 -6.847 -21.077 1.409 1.00 0.00 C ATOM 697 OG SER A 48 -6.180 -20.150 0.558 1.00 0.00 O ATOM 0 H SER A 48 -8.176 -21.455 -0.717 1.00 0.00 H new ATOM 0 HA SER A 48 -8.808 -21.544 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.538 -20.910 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.546 -22.091 1.147 1.00 0.00 H new ATOM 0 HG SER A 48 -5.247 -20.427 0.440 1.00 0.00 H new ATOM 703 N GLU A 49 -9.503 -19.231 2.554 1.00 0.00 N ATOM 704 CA GLU A 49 -9.975 -17.885 2.833 1.00 0.00 C ATOM 705 C GLU A 49 -8.798 -16.970 3.175 1.00 0.00 C ATOM 706 O GLU A 49 -7.732 -17.443 3.568 1.00 0.00 O ATOM 707 CB GLU A 49 -11.011 -17.890 3.959 1.00 0.00 C ATOM 708 CG GLU A 49 -10.333 -17.966 5.328 1.00 0.00 C ATOM 709 CD GLU A 49 -11.141 -18.836 6.293 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.367 -18.607 6.372 1.00 0.00 O ATOM 711 OE2 GLU A 49 -10.514 -19.711 6.929 1.00 0.00 O ATOM 0 H GLU A 49 -9.762 -19.927 3.253 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.462 -17.499 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.621 -16.988 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.684 -18.738 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.329 -18.375 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.225 -16.963 5.741 1.00 0.00 H new ATOM 718 N VAL A 50 -9.030 -15.675 3.014 1.00 0.00 N ATOM 719 CA VAL A 50 -8.001 -14.689 3.300 1.00 0.00 C ATOM 720 C VAL A 50 -7.988 -14.395 4.802 1.00 0.00 C ATOM 721 O VAL A 50 -8.940 -13.827 5.335 1.00 0.00 O ATOM 722 CB VAL A 50 -8.224 -13.438 2.448 1.00 0.00 C ATOM 723 CG1 VAL A 50 -7.324 -12.291 2.913 1.00 0.00 C ATOM 724 CG2 VAL A 50 -8.005 -13.740 0.964 1.00 0.00 C ATOM 0 H VAL A 50 -9.915 -15.286 2.689 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.017 -15.075 3.035 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.260 -13.124 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.502 -11.414 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.549 -12.051 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.279 -12.590 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.170 -12.834 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.984 -14.090 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.705 -14.511 0.642 1.00 0.00 H new ATOM 734 N THR A 51 -6.898 -14.794 5.441 1.00 0.00 N ATOM 735 CA THR A 51 -6.748 -14.581 6.870 1.00 0.00 C ATOM 736 C THR A 51 -5.867 -13.359 7.137 1.00 0.00 C ATOM 737 O THR A 51 -5.774 -12.892 8.271 1.00 0.00 O ATOM 738 CB THR A 51 -6.202 -15.870 7.487 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.911 -16.015 6.902 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.965 -17.111 7.019 1.00 0.00 C ATOM 0 H THR A 51 -6.110 -15.264 4.995 1.00 0.00 H new ATOM 0 HA THR A 51 -7.707 -14.361 7.339 1.00 0.00 H new ATOM 0 HB THR A 51 -6.251 -15.802 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.484 -16.826 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.538 -17.998 7.486 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.014 -17.021 7.302 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.888 -17.198 5.935 1.00 0.00 H new ATOM 748 N GLY A 52 -5.243 -12.876 6.073 1.00 0.00 N ATOM 749 CA GLY A 52 -4.372 -11.717 6.178 1.00 0.00 C ATOM 750 C GLY A 52 -3.797 -11.338 4.812 1.00 0.00 C ATOM 751 O GLY A 52 -4.220 -11.870 3.787 1.00 0.00 O ATOM 0 H GLY A 52 -5.323 -13.266 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.929 -10.875 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.559 -11.930 6.872 1.00 0.00 H new ATOM 755 N TYR A 53 -2.841 -10.421 4.842 1.00 0.00 N ATOM 756 CA TYR A 53 -2.203 -9.965 3.619 1.00 0.00 C ATOM 757 C TYR A 53 -0.735 -9.610 3.865 1.00 0.00 C ATOM 758 O TYR A 53 -0.340 -9.338 4.998 1.00 0.00 O ATOM 759 CB TYR A 53 -2.956 -8.702 3.197 1.00 0.00 C ATOM 760 CG TYR A 53 -4.323 -8.974 2.565 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.421 -9.217 1.210 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.458 -8.976 3.351 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.708 -9.474 0.616 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.744 -9.232 2.757 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.806 -9.469 1.419 1.00 0.00 C ATOM 766 OH TYR A 53 -8.021 -9.711 0.857 1.00 0.00 O ATOM 0 H TYR A 53 -2.493 -9.982 5.694 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.232 -10.744 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.091 -8.063 4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.343 -8.146 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.533 -9.214 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.381 -8.786 4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.799 -9.666 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.640 -9.236 3.360 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.076 -9.258 -0.010 1.00 0.00 H new ATOM 776 N LYS A 54 0.033 -9.625 2.786 1.00 0.00 N ATOM 777 CA LYS A 54 1.449 -9.309 2.870 1.00 0.00 C ATOM 778 C LYS A 54 1.754 -8.112 1.968 1.00 0.00 C ATOM 779 O LYS A 54 1.581 -8.186 0.752 1.00 0.00 O ATOM 780 CB LYS A 54 2.294 -10.546 2.558 1.00 0.00 C ATOM 781 CG LYS A 54 2.285 -11.526 3.732 1.00 0.00 C ATOM 782 CD LYS A 54 3.348 -12.611 3.549 1.00 0.00 C ATOM 783 CE LYS A 54 3.494 -13.456 4.816 1.00 0.00 C ATOM 784 NZ LYS A 54 4.557 -14.471 4.643 1.00 0.00 N ATOM 0 H LYS A 54 -0.298 -9.851 1.848 1.00 0.00 H new ATOM 0 HA LYS A 54 1.715 -9.019 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.908 -11.039 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.318 -10.245 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.467 -10.987 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.301 -11.987 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.078 -13.252 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.305 -12.150 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.732 -12.813 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.548 -13.947 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.643 -15.036 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.315 -15.095 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.462 -13.996 4.448 1.00 0.00 H new ATOM 798 N VAL A 55 2.203 -7.036 2.597 1.00 0.00 N ATOM 799 CA VAL A 55 2.535 -5.825 1.867 1.00 0.00 C ATOM 800 C VAL A 55 3.991 -5.896 1.404 1.00 0.00 C ATOM 801 O VAL A 55 4.909 -5.829 2.220 1.00 0.00 O ATOM 802 CB VAL A 55 2.240 -4.596 2.729 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.446 -3.305 1.934 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.828 -4.661 3.313 1.00 0.00 C ATOM 0 H VAL A 55 2.345 -6.978 3.605 1.00 0.00 H new ATOM 0 HA VAL A 55 1.915 -5.735 0.975 1.00 0.00 H new ATOM 0 HB VAL A 55 2.946 -4.594 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.229 -2.447 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.479 -3.250 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.777 -3.297 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.645 -3.775 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.100 -4.701 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.731 -5.553 3.932 1.00 0.00 H new ATOM 814 N PHE A 56 4.157 -6.030 0.096 1.00 0.00 N ATOM 815 CA PHE A 56 5.487 -6.110 -0.485 1.00 0.00 C ATOM 816 C PHE A 56 5.929 -4.752 -1.032 1.00 0.00 C ATOM 817 O PHE A 56 5.518 -4.353 -2.121 1.00 0.00 O ATOM 818 CB PHE A 56 5.410 -7.111 -1.639 1.00 0.00 C ATOM 819 CG PHE A 56 5.349 -8.573 -1.192 1.00 0.00 C ATOM 820 CD1 PHE A 56 6.499 -9.264 -0.966 1.00 0.00 C ATOM 821 CD2 PHE A 56 4.145 -9.182 -1.021 1.00 0.00 C ATOM 822 CE1 PHE A 56 6.442 -10.621 -0.551 1.00 0.00 C ATOM 823 CE2 PHE A 56 4.088 -10.539 -0.606 1.00 0.00 C ATOM 824 CZ PHE A 56 5.238 -11.230 -0.380 1.00 0.00 C ATOM 0 H PHE A 56 3.393 -6.085 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 56 6.207 -6.417 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.529 -6.889 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.279 -6.975 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.455 -8.781 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.232 -8.634 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.355 -11.169 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.132 -11.022 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.195 -12.262 -0.065 1.00 0.00 H new ATOM 834 N TYR A 57 6.762 -4.078 -0.252 1.00 0.00 N ATOM 835 CA TYR A 57 7.264 -2.773 -0.644 1.00 0.00 C ATOM 836 C TYR A 57 8.756 -2.838 -0.980 1.00 0.00 C ATOM 837 O TYR A 57 9.530 -3.469 -0.262 1.00 0.00 O ATOM 838 CB TYR A 57 7.066 -1.862 0.569 1.00 0.00 C ATOM 839 CG TYR A 57 7.563 -2.462 1.885 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.742 -3.295 2.618 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.833 -2.170 2.340 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.211 -3.859 3.857 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.302 -2.735 3.579 1.00 0.00 C ATOM 844 CZ TYR A 57 8.467 -3.551 4.277 1.00 0.00 C ATOM 845 OH TYR A 57 8.909 -4.085 5.447 1.00 0.00 O ATOM 0 H TYR A 57 7.102 -4.412 0.650 1.00 0.00 H new ATOM 0 HA TYR A 57 6.740 -2.410 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.585 -0.920 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.006 -1.628 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.748 -3.524 2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.475 -1.518 1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.579 -4.512 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.294 -2.516 3.946 1.00 0.00 H new ATOM 0 HH TYR A 57 9.824 -3.779 5.621 1.00 0.00 H new ATOM 855 N ARG A 58 9.114 -2.176 -2.071 1.00 0.00 N ATOM 856 CA ARG A 58 10.499 -2.151 -2.510 1.00 0.00 C ATOM 857 C ARG A 58 10.755 -0.923 -3.385 1.00 0.00 C ATOM 858 O ARG A 58 9.927 -0.570 -4.224 1.00 0.00 O ATOM 859 CB ARG A 58 10.849 -3.414 -3.299 1.00 0.00 C ATOM 860 CG ARG A 58 9.718 -3.793 -4.257 1.00 0.00 C ATOM 861 CD ARG A 58 10.269 -4.461 -5.519 1.00 0.00 C ATOM 862 NE ARG A 58 10.776 -3.434 -6.456 1.00 0.00 N ATOM 863 CZ ARG A 58 11.345 -3.710 -7.637 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.483 -4.983 -8.033 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.776 -2.714 -8.422 1.00 0.00 N ATOM 0 H ARG A 58 8.469 -1.653 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 58 11.129 -2.106 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.768 -3.252 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.038 -4.237 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.024 -4.469 -3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.154 -2.901 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.070 -5.151 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.487 -5.049 -6.000 1.00 0.00 H new ATOM 0 HE ARG A 58 10.687 -2.455 -6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.155 -5.741 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.916 -5.193 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.671 -1.745 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.209 -2.924 -9.321 1.00 0.00 H new ATOM 879 N THR A 59 11.906 -0.306 -3.161 1.00 0.00 N ATOM 880 CA THR A 59 12.282 0.875 -3.919 1.00 0.00 C ATOM 881 C THR A 59 12.289 0.568 -5.417 1.00 0.00 C ATOM 882 O THR A 59 12.205 -0.593 -5.817 1.00 0.00 O ATOM 883 CB THR A 59 13.633 1.364 -3.393 1.00 0.00 C ATOM 884 OG1 THR A 59 14.301 0.172 -2.989 1.00 0.00 O ATOM 885 CG2 THR A 59 13.501 2.172 -2.100 1.00 0.00 C ATOM 0 H THR A 59 12.591 -0.602 -2.465 1.00 0.00 H new ATOM 0 HA THR A 59 11.556 1.677 -3.787 1.00 0.00 H new ATOM 0 HB THR A 59 14.119 1.974 -4.155 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.187 0.397 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.489 2.495 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.875 3.046 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.045 1.552 -1.328 1.00 0.00 H new ATOM 893 N SER A 60 12.390 1.627 -6.206 1.00 0.00 N ATOM 894 CA SER A 60 12.409 1.485 -7.652 1.00 0.00 C ATOM 895 C SER A 60 13.325 0.326 -8.052 1.00 0.00 C ATOM 896 O SER A 60 13.022 -0.416 -8.984 1.00 0.00 O ATOM 897 CB SER A 60 12.866 2.780 -8.327 1.00 0.00 C ATOM 898 OG SER A 60 14.176 2.664 -8.874 1.00 0.00 O ATOM 0 H SER A 60 12.460 2.588 -5.871 1.00 0.00 H new ATOM 0 HA SER A 60 11.394 1.271 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.165 3.043 -9.119 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.847 3.593 -7.601 1.00 0.00 H new ATOM 0 HG SER A 60 14.430 3.511 -9.297 1.00 0.00 H new ATOM 960 N VAL A 65 12.706 -7.297 -1.978 1.00 0.00 N ATOM 961 CA VAL A 65 11.542 -6.636 -1.413 1.00 0.00 C ATOM 962 C VAL A 65 11.275 -7.191 -0.012 1.00 0.00 C ATOM 963 O VAL A 65 11.637 -8.328 0.288 1.00 0.00 O ATOM 964 CB VAL A 65 10.346 -6.787 -2.354 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.010 -8.263 -2.581 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.131 -6.023 -1.824 1.00 0.00 C ATOM 0 HA VAL A 65 11.723 -5.566 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 65 10.620 -6.354 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.156 -8.342 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.869 -8.768 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.766 -8.731 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.295 -6.147 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.855 -6.412 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.376 -4.964 -1.738 1.00 0.00 H new ATOM 976 N GLN A 66 10.645 -6.364 0.808 1.00 0.00 N ATOM 977 CA GLN A 66 10.325 -6.758 2.169 1.00 0.00 C ATOM 978 C GLN A 66 8.855 -7.170 2.271 1.00 0.00 C ATOM 979 O GLN A 66 8.113 -7.082 1.294 1.00 0.00 O ATOM 980 CB GLN A 66 10.650 -5.634 3.156 1.00 0.00 C ATOM 981 CG GLN A 66 12.105 -5.717 3.621 1.00 0.00 C ATOM 982 CD GLN A 66 12.225 -5.378 5.108 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.471 -4.248 5.496 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.039 -6.418 5.916 1.00 0.00 N ATOM 0 H GLN A 66 10.347 -5.422 0.556 1.00 0.00 H new ATOM 0 HA GLN A 66 10.942 -7.617 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.470 -4.668 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.985 -5.698 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.492 -6.720 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.717 -5.030 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.836 -7.338 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.099 -6.296 6.927 1.00 0.00 H new ATOM 993 N VAL A 67 8.479 -7.610 3.463 1.00 0.00 N ATOM 994 CA VAL A 67 7.111 -8.036 3.705 1.00 0.00 C ATOM 995 C VAL A 67 6.627 -7.451 5.034 1.00 0.00 C ATOM 996 O VAL A 67 7.412 -7.286 5.966 1.00 0.00 O ATOM 997 CB VAL A 67 7.021 -9.563 3.656 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.672 -10.050 4.188 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.272 -10.081 2.239 1.00 0.00 C ATOM 0 H VAL A 67 9.097 -7.681 4.271 1.00 0.00 H new ATOM 0 HA VAL A 67 6.450 -7.660 2.924 1.00 0.00 H new ATOM 0 HB VAL A 67 7.800 -9.966 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.634 -11.138 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.550 -9.726 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.869 -9.633 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.202 -11.169 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.526 -9.665 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.267 -9.779 1.912 1.00 0.00 H new ATOM 1009 N LEU A 68 5.337 -7.154 5.078 1.00 0.00 N ATOM 1010 CA LEU A 68 4.739 -6.591 6.276 1.00 0.00 C ATOM 1011 C LEU A 68 3.432 -7.325 6.583 1.00 0.00 C ATOM 1012 O LEU A 68 2.575 -7.464 5.711 1.00 0.00 O ATOM 1013 CB LEU A 68 4.575 -5.076 6.133 1.00 0.00 C ATOM 1014 CG LEU A 68 3.331 -4.472 6.788 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.636 -3.090 7.371 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.158 -4.433 5.807 1.00 0.00 C ATOM 0 H LEU A 68 4.689 -7.293 4.303 1.00 0.00 H new ATOM 0 HA LEU A 68 5.396 -6.737 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.455 -4.593 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.558 -4.831 5.071 1.00 0.00 H new ATOM 0 HG LEU A 68 3.035 -5.115 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.736 -2.682 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.420 -3.177 8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.970 -2.425 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.287 -3.999 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.427 -3.826 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.923 -5.446 5.480 1.00 0.00 H new ATOM 1028 N ASN A 69 3.320 -7.776 7.824 1.00 0.00 N ATOM 1029 CA ASN A 69 2.133 -8.492 8.255 1.00 0.00 C ATOM 1030 C ASN A 69 0.997 -7.494 8.490 1.00 0.00 C ATOM 1031 O ASN A 69 1.205 -6.443 9.094 1.00 0.00 O ATOM 1032 CB ASN A 69 2.385 -9.237 9.568 1.00 0.00 C ATOM 1033 CG ASN A 69 3.093 -10.570 9.314 1.00 0.00 C ATOM 1034 OD1 ASN A 69 2.495 -11.633 9.333 1.00 0.00 O ATOM 1035 ND2 ASN A 69 4.396 -10.454 9.076 1.00 0.00 N ATOM 0 H ASN A 69 4.033 -7.659 8.544 1.00 0.00 H new ATOM 0 HA ASN A 69 1.872 -9.209 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.991 -8.619 10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.438 -9.415 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.957 -11.286 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.834 -9.533 9.075 1.00 0.00 H new ATOM 1042 N THR A 70 -0.179 -7.858 7.999 1.00 0.00 N ATOM 1043 CA THR A 70 -1.347 -7.007 8.147 1.00 0.00 C ATOM 1044 C THR A 70 -2.627 -7.842 8.073 1.00 0.00 C ATOM 1045 O THR A 70 -2.918 -8.449 7.043 1.00 0.00 O ATOM 1046 CB THR A 70 -1.273 -5.912 7.081 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.613 -5.438 6.976 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.965 -6.469 5.690 1.00 0.00 C ATOM 0 H THR A 70 -0.348 -8.731 7.498 1.00 0.00 H new ATOM 0 HA THR A 70 -1.365 -6.527 9.125 1.00 0.00 H new ATOM 0 HB THR A 70 -0.509 -5.186 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.618 -4.569 6.523 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.924 -5.651 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.005 -6.984 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.747 -7.170 5.397 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.358 -7.845 9.178 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.600 -8.595 9.252 1.00 0.00 C ATOM 1058 C ASN A 71 -5.765 -7.686 8.854 1.00 0.00 C ATOM 1059 O ASN A 71 -6.904 -7.920 9.253 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.857 -9.098 10.674 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.078 -10.385 10.950 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.927 -10.538 10.573 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -4.767 -11.300 11.626 1.00 0.00 N ATOM 0 H ASN A 71 -3.114 -7.340 10.030 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.519 -9.447 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.566 -8.332 11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.923 -9.277 10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.335 -12.194 11.859 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.727 -11.107 11.911 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.438 -6.667 8.072 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.442 -5.721 7.616 1.00 0.00 C ATOM 1072 C LYS A 72 -6.292 -5.513 6.108 1.00 0.00 C ATOM 1073 O LYS A 72 -5.356 -6.025 5.497 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.365 -4.426 8.427 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.952 -4.200 8.967 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.664 -2.708 9.143 1.00 0.00 C ATOM 1077 CE LYS A 72 -4.298 -2.388 10.594 1.00 0.00 C ATOM 1078 NZ LYS A 72 -4.997 -1.164 11.047 1.00 0.00 N ATOM 0 H LYS A 72 -4.492 -6.476 7.743 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.444 -6.116 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.658 -3.583 7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.072 -4.469 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.838 -4.711 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.224 -4.636 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.848 -2.411 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.538 -2.128 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.567 -3.226 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.220 -2.252 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.738 -0.961 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.720 -0.363 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.025 -1.307 10.982 1.00 0.00 H new ATOM 1092 N THR A 73 -7.229 -4.759 5.551 1.00 0.00 N ATOM 1093 CA THR A 73 -7.213 -4.476 4.126 1.00 0.00 C ATOM 1094 C THR A 73 -6.412 -3.203 3.844 1.00 0.00 C ATOM 1095 O THR A 73 -6.442 -2.681 2.731 1.00 0.00 O ATOM 1096 CB THR A 73 -8.662 -4.402 3.642 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.373 -3.865 4.755 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.282 -5.786 3.437 1.00 0.00 C ATOM 0 H THR A 73 -8.004 -4.336 6.061 1.00 0.00 H new ATOM 0 HA THR A 73 -6.710 -5.268 3.571 1.00 0.00 H new ATOM 0 HB THR A 73 -8.704 -3.843 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.322 -3.781 4.527 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.311 -5.677 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.707 -6.336 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.271 -6.333 4.380 1.00 0.00 H new ATOM 1106 N SER A 74 -5.715 -2.741 4.871 1.00 0.00 N ATOM 1107 CA SER A 74 -4.908 -1.539 4.748 1.00 0.00 C ATOM 1108 C SER A 74 -3.516 -1.782 5.333 1.00 0.00 C ATOM 1109 O SER A 74 -3.184 -2.904 5.711 1.00 0.00 O ATOM 1110 CB SER A 74 -5.577 -0.352 5.445 1.00 0.00 C ATOM 1111 OG SER A 74 -6.225 0.515 4.519 1.00 0.00 O ATOM 0 H SER A 74 -5.692 -3.177 5.793 1.00 0.00 H new ATOM 0 HA SER A 74 -4.814 -1.297 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.305 -0.720 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.828 0.209 6.004 1.00 0.00 H new ATOM 0 HG SER A 74 -5.553 0.954 3.957 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.737 -0.711 5.388 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.388 -0.793 5.920 1.00 0.00 C ATOM 1119 C ALA A 75 -0.799 0.615 6.027 1.00 0.00 C ATOM 1120 O ALA A 75 -1.394 1.578 5.545 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.544 -1.712 5.033 1.00 0.00 C ATOM 0 H ALA A 75 -3.015 0.218 5.073 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.397 -1.223 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.468 -1.774 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.988 -2.707 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.511 -1.310 4.020 1.00 0.00 H new ATOM 1127 N GLU A 76 0.362 0.690 6.661 1.00 0.00 N ATOM 1128 CA GLU A 76 1.037 1.964 6.838 1.00 0.00 C ATOM 1129 C GLU A 76 2.554 1.776 6.767 1.00 0.00 C ATOM 1130 O GLU A 76 3.138 1.098 7.611 1.00 0.00 O ATOM 1131 CB GLU A 76 0.627 2.624 8.156 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.818 3.121 8.094 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.358 3.413 9.496 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.685 4.183 10.214 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.431 2.859 9.817 1.00 0.00 O ATOM 0 H GLU A 76 0.852 -0.111 7.058 1.00 0.00 H new ATOM 0 HA GLU A 76 0.735 2.628 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.735 1.911 8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.294 3.459 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.870 4.024 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.443 2.372 7.608 1.00 0.00 H new ATOM 1142 N LEU A 77 3.147 2.387 5.753 1.00 0.00 N ATOM 1143 CA LEU A 77 4.585 2.295 5.561 1.00 0.00 C ATOM 1144 C LEU A 77 5.209 3.679 5.746 1.00 0.00 C ATOM 1145 O LEU A 77 4.509 4.645 6.046 1.00 0.00 O ATOM 1146 CB LEU A 77 4.905 1.651 4.210 1.00 0.00 C ATOM 1147 CG LEU A 77 4.460 0.198 4.038 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.023 -0.075 2.597 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.553 -0.769 4.497 1.00 0.00 C ATOM 0 H LEU A 77 2.659 2.948 5.055 1.00 0.00 H new ATOM 0 HA LEU A 77 5.029 1.642 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.439 2.248 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.982 1.701 4.052 1.00 0.00 H new ATOM 0 HG LEU A 77 3.592 0.030 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.712 -1.115 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.189 0.578 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.857 0.117 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.210 -1.795 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.454 -0.608 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.775 -0.594 5.550 1.00 0.00 H new ATOM 1161 N VAL A 78 6.520 3.732 5.559 1.00 0.00 N ATOM 1162 CA VAL A 78 7.247 4.982 5.702 1.00 0.00 C ATOM 1163 C VAL A 78 7.258 5.716 4.360 1.00 0.00 C ATOM 1164 O VAL A 78 6.604 5.289 3.409 1.00 0.00 O ATOM 1165 CB VAL A 78 8.651 4.711 6.247 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.588 4.142 7.665 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.430 3.780 5.316 1.00 0.00 C ATOM 0 H VAL A 78 7.098 2.929 5.310 1.00 0.00 H new ATOM 0 HA VAL A 78 6.752 5.632 6.424 1.00 0.00 H new ATOM 0 HB VAL A 78 9.183 5.662 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.599 3.958 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.090 4.856 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.030 3.206 7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.424 3.604 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.901 2.831 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.520 4.241 4.332 1.00 0.00 H new ATOM 1177 N LEU A 79 8.007 6.809 4.325 1.00 0.00 N ATOM 1178 CA LEU A 79 8.111 7.607 3.116 1.00 0.00 C ATOM 1179 C LEU A 79 9.450 7.319 2.434 1.00 0.00 C ATOM 1180 O LEU A 79 10.480 7.220 3.098 1.00 0.00 O ATOM 1181 CB LEU A 79 7.887 9.087 3.430 1.00 0.00 C ATOM 1182 CG LEU A 79 8.597 9.624 4.674 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.113 9.453 4.557 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.203 11.078 4.946 1.00 0.00 C ATOM 0 H LEU A 79 8.548 7.160 5.115 1.00 0.00 H new ATOM 0 HA LEU A 79 7.327 7.333 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.210 9.673 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.816 9.255 3.546 1.00 0.00 H new ATOM 0 HG LEU A 79 8.272 9.037 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.593 9.843 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.352 8.395 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.475 9.999 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.722 11.435 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.480 11.696 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.126 11.140 5.105 1.00 0.00 H new ATOM 1196 N PRO A 80 9.390 7.189 1.081 1.00 0.00 N ATOM 1197 CA PRO A 80 10.585 6.914 0.302 1.00 0.00 C ATOM 1198 C PRO A 80 11.458 8.164 0.178 1.00 0.00 C ATOM 1199 O PRO A 80 10.975 9.227 -0.212 1.00 0.00 O ATOM 1200 CB PRO A 80 10.074 6.411 -1.038 1.00 0.00 C ATOM 1201 CG PRO A 80 8.624 6.860 -1.126 1.00 0.00 C ATOM 1202 CD PRO A 80 8.187 7.299 0.261 1.00 0.00 C ATOM 0 HA PRO A 80 11.231 6.172 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.661 6.822 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.152 5.326 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.521 7.680 -1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.994 6.047 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.806 8.320 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.388 6.664 0.644 1.00 0.00 H new ATOM 1210 N ILE A 81 12.728 7.997 0.516 1.00 0.00 N ATOM 1211 CA ILE A 81 13.673 9.099 0.447 1.00 0.00 C ATOM 1212 C ILE A 81 14.017 9.378 -1.017 1.00 0.00 C ATOM 1213 O ILE A 81 13.964 10.523 -1.463 1.00 0.00 O ATOM 1214 CB ILE A 81 14.894 8.812 1.323 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.489 8.628 2.786 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.956 9.901 1.155 1.00 0.00 C ATOM 1217 CD1 ILE A 81 14.514 7.150 3.180 1.00 0.00 C ATOM 0 H ILE A 81 13.125 7.115 0.839 1.00 0.00 H new ATOM 0 HA ILE A 81 13.228 10.009 0.849 1.00 0.00 H new ATOM 0 HB ILE A 81 15.339 7.873 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.167 9.191 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.490 9.033 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.814 9.674 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.274 9.941 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.537 10.865 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 81 14.222 7.047 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.817 6.594 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 81 15.520 6.754 3.044 1.00 0.00 H new ATOM 1229 N LYS A 82 14.363 8.313 -1.725 1.00 0.00 N ATOM 1230 CA LYS A 82 14.716 8.429 -3.129 1.00 0.00 C ATOM 1231 C LYS A 82 14.233 7.185 -3.877 1.00 0.00 C ATOM 1232 O LYS A 82 13.885 6.180 -3.258 1.00 0.00 O ATOM 1233 CB LYS A 82 16.214 8.697 -3.284 1.00 0.00 C ATOM 1234 CG LYS A 82 16.576 10.097 -2.785 1.00 0.00 C ATOM 1235 CD LYS A 82 16.070 11.171 -3.750 1.00 0.00 C ATOM 1236 CE LYS A 82 17.008 12.381 -3.764 1.00 0.00 C ATOM 1237 NZ LYS A 82 17.263 12.822 -5.153 1.00 0.00 N ATOM 0 H LYS A 82 14.406 7.365 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 82 14.214 9.286 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.780 7.951 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.499 8.596 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.144 10.258 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.657 10.180 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.992 10.755 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.069 11.486 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.567 13.197 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.950 12.124 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.901 13.643 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.704 12.047 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.364 13.086 -5.604 1.00 0.00 H new ATOM 1251 N GLU A 83 14.226 7.293 -5.198 1.00 0.00 N ATOM 1252 CA GLU A 83 13.791 6.189 -6.036 1.00 0.00 C ATOM 1253 C GLU A 83 12.325 5.855 -5.756 1.00 0.00 C ATOM 1254 O GLU A 83 11.896 5.847 -4.603 1.00 0.00 O ATOM 1255 CB GLU A 83 14.682 4.962 -5.833 1.00 0.00 C ATOM 1256 CG GLU A 83 15.999 5.107 -6.599 1.00 0.00 C ATOM 1257 CD GLU A 83 17.198 4.919 -5.667 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.148 3.964 -4.862 1.00 0.00 O ATOM 1259 OE2 GLU A 83 18.139 5.735 -5.782 1.00 0.00 O ATOM 0 H GLU A 83 14.515 8.128 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 83 13.881 6.493 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.888 4.829 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.158 4.068 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.039 4.372 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.047 6.091 -7.065 1.00 0.00 H new ATOM 1266 N ASP A 84 11.596 5.587 -6.829 1.00 0.00 N ATOM 1267 CA ASP A 84 10.187 5.253 -6.713 1.00 0.00 C ATOM 1268 C ASP A 84 10.023 4.081 -5.742 1.00 0.00 C ATOM 1269 O ASP A 84 11.010 3.502 -5.291 1.00 0.00 O ATOM 1270 CB ASP A 84 9.608 4.831 -8.065 1.00 0.00 C ATOM 1271 CG ASP A 84 9.050 5.975 -8.914 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.878 6.338 -8.679 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.809 6.460 -9.781 1.00 0.00 O ATOM 0 H ASP A 84 11.955 5.594 -7.784 1.00 0.00 H new ATOM 0 HA ASP A 84 9.659 6.137 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.386 4.322 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.813 4.105 -7.893 1.00 0.00 H new ATOM 1278 N TYR A 85 8.770 3.768 -5.449 1.00 0.00 N ATOM 1279 CA TYR A 85 8.465 2.676 -4.540 1.00 0.00 C ATOM 1280 C TYR A 85 7.473 1.697 -5.172 1.00 0.00 C ATOM 1281 O TYR A 85 6.382 2.092 -5.583 1.00 0.00 O ATOM 1282 CB TYR A 85 7.816 3.318 -3.312 1.00 0.00 C ATOM 1283 CG TYR A 85 8.341 2.781 -1.979 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.695 2.595 -1.795 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.458 2.482 -0.961 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.189 2.089 -0.540 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.952 1.977 0.294 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.293 1.805 0.442 1.00 0.00 C ATOM 1289 OH TYR A 85 9.758 1.327 1.627 1.00 0.00 O ATOM 0 H TYR A 85 7.954 4.251 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 85 9.369 2.119 -4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.980 4.395 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.739 3.158 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.385 2.829 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.398 2.627 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.247 1.939 -0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.273 1.740 1.100 1.00 0.00 H new ATOM 0 HH TYR A 85 9.005 1.170 2.234 1.00 0.00 H new ATOM 1299 N ILE A 86 7.887 0.440 -5.231 1.00 0.00 N ATOM 1300 CA ILE A 86 7.049 -0.598 -5.807 1.00 0.00 C ATOM 1301 C ILE A 86 6.402 -1.407 -4.681 1.00 0.00 C ATOM 1302 O ILE A 86 7.049 -2.260 -4.074 1.00 0.00 O ATOM 1303 CB ILE A 86 7.851 -1.449 -6.793 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.119 -0.679 -8.089 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.156 -2.786 -7.055 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.661 0.721 -7.793 1.00 0.00 C ATOM 0 H ILE A 86 8.792 0.117 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 86 6.240 -0.156 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 86 8.819 -1.672 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.835 -1.228 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.198 -0.602 -8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.747 -3.371 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.059 -3.335 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.166 -2.606 -7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.843 1.246 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.933 1.276 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.594 0.640 -7.236 1.00 0.00 H new ATOM 1318 N ILE A 87 5.134 -1.112 -4.436 1.00 0.00 N ATOM 1319 CA ILE A 87 4.393 -1.802 -3.394 1.00 0.00 C ATOM 1320 C ILE A 87 3.513 -2.880 -4.028 1.00 0.00 C ATOM 1321 O ILE A 87 2.958 -2.678 -5.108 1.00 0.00 O ATOM 1322 CB ILE A 87 3.617 -0.800 -2.536 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.413 0.492 -2.346 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.208 -1.424 -1.200 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.038 1.179 -1.031 1.00 0.00 C ATOM 0 H ILE A 87 4.601 -0.404 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 87 5.076 -2.309 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 87 2.700 -0.537 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.480 0.270 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.222 1.167 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.658 -0.691 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.575 -2.292 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.100 -1.734 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.618 2.095 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.975 1.421 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.253 0.511 -0.197 1.00 0.00 H new ATOM 1337 N GLU A 88 3.412 -4.002 -3.332 1.00 0.00 N ATOM 1338 CA GLU A 88 2.608 -5.113 -3.814 1.00 0.00 C ATOM 1339 C GLU A 88 1.801 -5.722 -2.665 1.00 0.00 C ATOM 1340 O GLU A 88 2.363 -6.098 -1.638 1.00 0.00 O ATOM 1341 CB GLU A 88 3.484 -6.170 -4.489 1.00 0.00 C ATOM 1342 CG GLU A 88 3.549 -5.944 -6.001 1.00 0.00 C ATOM 1343 CD GLU A 88 2.990 -7.149 -6.761 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.699 -8.178 -6.792 1.00 0.00 O ATOM 1345 OE2 GLU A 88 1.867 -7.013 -7.292 1.00 0.00 O ATOM 0 H GLU A 88 3.874 -4.166 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 88 1.910 -4.735 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.489 -6.136 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.085 -7.163 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.983 -5.050 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.582 -5.767 -6.302 1.00 0.00 H new ATOM 1352 N VAL A 89 0.495 -5.799 -2.878 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.395 -6.356 -1.874 1.00 0.00 C ATOM 1354 C VAL A 89 -0.643 -7.834 -2.181 1.00 0.00 C ATOM 1355 O VAL A 89 -0.936 -8.194 -3.320 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.684 -5.535 -1.805 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.610 -6.060 -0.706 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.379 -4.050 -1.601 1.00 0.00 C ATOM 0 H VAL A 89 0.032 -5.485 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 89 0.062 -6.302 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.200 -5.643 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.519 -5.459 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.868 -7.099 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.104 -5.997 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.313 -3.490 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.830 -3.916 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.777 -3.685 -2.433 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.517 -8.650 -1.145 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.724 -10.081 -1.290 1.00 0.00 C ATOM 1370 C LYS A 90 -1.619 -10.580 -0.154 1.00 0.00 C ATOM 1371 O LYS A 90 -1.555 -10.068 0.962 1.00 0.00 O ATOM 1372 CB LYS A 90 0.618 -10.810 -1.380 1.00 0.00 C ATOM 1373 CG LYS A 90 0.942 -11.185 -2.828 1.00 0.00 C ATOM 1374 CD LYS A 90 1.687 -12.520 -2.895 1.00 0.00 C ATOM 1375 CE LYS A 90 3.171 -12.305 -3.201 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.704 -13.431 -4.000 1.00 0.00 N ATOM 0 H LYS A 90 -0.274 -8.348 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.242 -10.298 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.408 -10.175 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.589 -11.710 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.020 -11.250 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.549 -10.402 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.580 -13.048 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.241 -13.151 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.304 -11.370 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.731 -12.215 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.712 -13.269 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.594 -14.317 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.181 -13.499 -4.896 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.434 -11.573 -0.479 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.341 -12.147 0.500 1.00 0.00 C ATOM 1392 C ALA A 91 -2.710 -13.406 1.098 1.00 0.00 C ATOM 1393 O ALA A 91 -2.000 -14.136 0.409 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.692 -12.430 -0.160 1.00 0.00 C ATOM 0 H ALA A 91 -2.485 -11.994 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.517 -11.447 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.373 -12.861 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.112 -11.500 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.555 -13.132 -0.983 1.00 0.00 H new ATOM 1400 N THR A 92 -2.991 -13.620 2.375 1.00 0.00 N ATOM 1401 CA THR A 92 -2.459 -14.778 3.074 1.00 0.00 C ATOM 1402 C THR A 92 -3.575 -15.781 3.370 1.00 0.00 C ATOM 1403 O THR A 92 -4.729 -15.396 3.552 1.00 0.00 O ATOM 1404 CB THR A 92 -1.738 -14.282 4.329 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.775 -13.714 5.124 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.802 -13.107 4.042 1.00 0.00 C ATOM 0 H THR A 92 -3.580 -13.012 2.944 1.00 0.00 H new ATOM 0 HA THR A 92 -1.738 -15.315 2.458 1.00 0.00 H new ATOM 0 HB THR A 92 -1.167 -15.101 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.480 -13.662 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.316 -12.795 4.966 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.045 -13.413 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.377 -12.275 3.635 1.00 0.00 H new ATOM 1414 N THR A 93 -3.192 -17.049 3.411 1.00 0.00 N ATOM 1415 CA THR A 93 -4.147 -18.111 3.682 1.00 0.00 C ATOM 1416 C THR A 93 -3.537 -19.146 4.629 1.00 0.00 C ATOM 1417 O THR A 93 -2.390 -19.009 5.050 1.00 0.00 O ATOM 1418 CB THR A 93 -4.591 -18.700 2.342 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.458 -18.531 1.495 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.686 -17.869 1.671 1.00 0.00 C ATOM 0 H THR A 93 -2.234 -17.365 3.261 1.00 0.00 H new ATOM 0 HA THR A 93 -5.030 -17.729 4.194 1.00 0.00 H new ATOM 0 HB THR A 93 -4.950 -19.718 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.643 -18.762 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.964 -18.331 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.559 -17.823 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.316 -16.860 1.488 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.333 -20.159 4.938 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.887 -21.218 5.828 1.00 0.00 C ATOM 1430 C ASP A 94 -2.881 -22.106 5.093 1.00 0.00 C ATOM 1431 O ASP A 94 -2.172 -22.894 5.716 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.058 -22.096 6.270 1.00 0.00 C ATOM 1433 CG ASP A 94 -4.702 -23.558 6.546 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.273 -23.832 7.688 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.868 -24.369 5.610 1.00 0.00 O ATOM 0 H ASP A 94 -5.285 -20.269 4.588 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.434 -20.754 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.494 -21.667 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.828 -22.065 5.499 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.852 -21.949 3.778 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.945 -22.727 2.951 1.00 0.00 C ATOM 1442 C GLY A 95 -0.664 -21.943 2.655 1.00 0.00 C ATOM 1443 O GLY A 95 0.416 -22.525 2.563 1.00 0.00 O ATOM 0 H GLY A 95 -3.442 -21.294 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.696 -23.660 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.437 -22.993 2.016 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.827 -20.636 2.515 1.00 0.00 N ATOM 1448 CA GLY A 96 0.302 -19.767 2.231 1.00 0.00 C ATOM 1449 C GLY A 96 -0.169 -18.400 1.731 1.00 0.00 C ATOM 1450 O GLY A 96 -1.194 -17.891 2.180 1.00 0.00 O ATOM 0 H GLY A 96 -1.724 -20.157 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.904 -19.641 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.943 -20.231 1.481 1.00 0.00 H new ATOM 1454 N ASP A 97 0.602 -17.846 0.807 1.00 0.00 N ATOM 1455 CA ASP A 97 0.276 -16.548 0.241 1.00 0.00 C ATOM 1456 C ASP A 97 -0.649 -16.739 -0.963 1.00 0.00 C ATOM 1457 O ASP A 97 -0.918 -17.868 -1.370 1.00 0.00 O ATOM 1458 CB ASP A 97 1.535 -15.825 -0.240 1.00 0.00 C ATOM 1459 CG ASP A 97 2.798 -16.115 0.573 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.305 -17.251 0.448 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.229 -15.194 1.300 1.00 0.00 O ATOM 0 H ASP A 97 1.451 -18.272 0.436 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.207 -15.954 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.719 -16.099 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.348 -14.751 -0.222 1.00 0.00 H new ATOM 1466 N GLY A 98 -1.110 -15.618 -1.498 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.999 -15.648 -2.647 1.00 0.00 C ATOM 1468 C GLY A 98 -1.355 -14.967 -3.856 1.00 0.00 C ATOM 1469 O GLY A 98 -0.209 -15.255 -4.198 1.00 0.00 O ATOM 0 H GLY A 98 -0.885 -14.683 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.244 -16.681 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.936 -15.148 -2.400 1.00 0.00 H new ATOM 1473 N THR A 99 -2.121 -14.078 -4.471 1.00 0.00 N ATOM 1474 CA THR A 99 -1.639 -13.353 -5.635 1.00 0.00 C ATOM 1475 C THR A 99 -1.340 -11.898 -5.271 1.00 0.00 C ATOM 1476 O THR A 99 -1.951 -11.344 -4.358 1.00 0.00 O ATOM 1477 CB THR A 99 -2.680 -13.500 -6.747 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.837 -14.909 -6.891 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.150 -13.044 -8.108 1.00 0.00 C ATOM 0 H THR A 99 -3.072 -13.843 -4.186 1.00 0.00 H new ATOM 0 HA THR A 99 -0.696 -13.765 -5.995 1.00 0.00 H new ATOM 0 HB THR A 99 -3.569 -12.923 -6.491 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.497 -15.095 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.927 -13.169 -8.862 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.863 -11.994 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.281 -13.644 -8.380 1.00 0.00 H new ATOM 1487 N SER A 100 -0.401 -11.319 -6.005 1.00 0.00 N ATOM 1488 CA SER A 100 -0.013 -9.938 -5.771 1.00 0.00 C ATOM 1489 C SER A 100 -0.771 -9.013 -6.726 1.00 0.00 C ATOM 1490 O SER A 100 -0.770 -9.230 -7.936 1.00 0.00 O ATOM 1491 CB SER A 100 1.496 -9.754 -5.939 1.00 0.00 C ATOM 1492 OG SER A 100 2.218 -10.942 -5.625 1.00 0.00 O ATOM 0 H SER A 100 0.103 -11.781 -6.762 1.00 0.00 H new ATOM 0 HA SER A 100 -0.271 -9.679 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.713 -9.459 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.836 -8.943 -5.295 1.00 0.00 H new ATOM 0 HG SER A 100 3.177 -10.783 -5.746 1.00 0.00 H new ATOM 1498 N SER A 101 -1.399 -8.002 -6.145 1.00 0.00 N ATOM 1499 CA SER A 101 -2.159 -7.043 -6.929 1.00 0.00 C ATOM 1500 C SER A 101 -1.242 -6.350 -7.939 1.00 0.00 C ATOM 1501 O SER A 101 -0.259 -6.933 -8.392 1.00 0.00 O ATOM 1502 CB SER A 101 -2.835 -6.008 -6.028 1.00 0.00 C ATOM 1503 OG SER A 101 -1.916 -5.023 -5.562 1.00 0.00 O ATOM 0 H SER A 101 -1.397 -7.826 -5.140 1.00 0.00 H new ATOM 0 HA SER A 101 -2.939 -7.582 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.641 -5.521 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.290 -6.512 -5.175 1.00 0.00 H new ATOM 0 HG SER A 101 -1.037 -5.434 -5.425 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.597 -5.115 -8.262 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.819 -4.336 -9.210 1.00 0.00 C ATOM 1511 C GLU A 102 0.196 -3.461 -8.471 1.00 0.00 C ATOM 1512 O GLU A 102 -0.178 -2.642 -7.633 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.729 -3.487 -10.100 1.00 0.00 C ATOM 1514 CG GLU A 102 -2.026 -4.202 -11.420 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.422 -4.829 -11.402 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.703 -5.560 -10.429 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -4.176 -4.563 -12.363 1.00 0.00 O ATOM 0 H GLU A 102 -2.413 -4.635 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.274 -5.025 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.662 -3.278 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.254 -2.527 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.952 -3.494 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.278 -4.976 -11.595 1.00 0.00 H new ATOM 1524 N GLN A 103 1.461 -3.665 -8.809 1.00 0.00 N ATOM 1525 CA GLN A 103 2.533 -2.905 -8.189 1.00 0.00 C ATOM 1526 C GLN A 103 2.177 -1.417 -8.154 1.00 0.00 C ATOM 1527 O GLN A 103 1.710 -0.864 -9.148 1.00 0.00 O ATOM 1528 CB GLN A 103 3.860 -3.135 -8.914 1.00 0.00 C ATOM 1529 CG GLN A 103 4.649 -4.274 -8.266 1.00 0.00 C ATOM 1530 CD GLN A 103 5.950 -4.541 -9.025 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.539 -3.660 -9.629 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.365 -5.803 -8.961 1.00 0.00 N ATOM 0 H GLN A 103 1.767 -4.346 -9.504 1.00 0.00 H new ATOM 0 HA GLN A 103 2.653 -3.254 -7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.670 -3.369 -9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.452 -2.220 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.874 -4.022 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.041 -5.179 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.824 -6.492 -8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.224 -6.082 -9.435 1.00 0.00 H new ATOM 1541 N ILE A 104 2.413 -0.811 -7.000 1.00 0.00 N ATOM 1542 CA ILE A 104 2.124 0.602 -6.823 1.00 0.00 C ATOM 1543 C ILE A 104 3.374 1.419 -7.157 1.00 0.00 C ATOM 1544 O ILE A 104 4.494 0.924 -7.040 1.00 0.00 O ATOM 1545 CB ILE A 104 1.574 0.865 -5.420 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.710 -0.304 -4.942 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.819 2.194 -5.367 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.394 0.179 -4.000 1.00 0.00 C ATOM 0 H ILE A 104 2.801 -1.273 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 104 1.341 0.920 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 104 2.416 0.946 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.266 -0.807 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.334 -1.037 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.439 2.356 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.494 3.007 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.014 2.167 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.993 -0.672 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.054 0.660 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.031 0.893 -4.522 1.00 0.00 H new ATOM 1560 N ARG A 105 3.140 2.658 -7.566 1.00 0.00 N ATOM 1561 CA ARG A 105 4.233 3.549 -7.917 1.00 0.00 C ATOM 1562 C ARG A 105 4.166 4.827 -7.079 1.00 0.00 C ATOM 1563 O ARG A 105 3.321 5.687 -7.319 1.00 0.00 O ATOM 1564 CB ARG A 105 4.187 3.917 -9.402 1.00 0.00 C ATOM 1565 CG ARG A 105 5.598 4.052 -9.977 1.00 0.00 C ATOM 1566 CD ARG A 105 5.596 3.836 -11.492 1.00 0.00 C ATOM 1567 NE ARG A 105 6.726 4.566 -12.109 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.883 4.729 -13.429 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.985 4.215 -14.280 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.940 5.407 -13.899 1.00 0.00 N ATOM 0 H ARG A 105 2.210 3.065 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 105 5.167 3.026 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.638 3.154 -9.953 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.646 4.855 -9.531 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.995 5.041 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.259 3.326 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.674 2.772 -11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.654 4.183 -11.916 1.00 0.00 H new ATOM 0 HE ARG A 105 7.429 4.970 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.181 3.699 -13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.105 4.340 -15.285 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.624 5.798 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.060 5.531 -14.904 1.00 0.00 H new ATOM 1584 N ILE A 106 5.069 4.910 -6.113 1.00 0.00 N ATOM 1585 CA ILE A 106 5.123 6.069 -5.238 1.00 0.00 C ATOM 1586 C ILE A 106 6.478 6.760 -5.398 1.00 0.00 C ATOM 1587 O ILE A 106 7.461 6.359 -4.777 1.00 0.00 O ATOM 1588 CB ILE A 106 4.804 5.667 -3.796 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.518 4.840 -3.729 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.745 6.894 -2.885 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.610 3.771 -2.638 1.00 0.00 C ATOM 0 H ILE A 106 5.769 4.194 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 106 4.359 6.794 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 106 5.613 5.034 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.670 5.495 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.336 4.366 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.517 6.580 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.708 7.405 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.968 7.572 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.683 3.198 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.444 3.103 -2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.768 4.250 -1.672 1.00 0.00 H new ATOM 1603 N PRO A 107 6.487 7.816 -6.256 1.00 0.00 N ATOM 1604 CA PRO A 107 7.706 8.567 -6.505 1.00 0.00 C ATOM 1605 C PRO A 107 8.039 9.480 -5.323 1.00 0.00 C ATOM 1606 O PRO A 107 7.179 9.760 -4.489 1.00 0.00 O ATOM 1607 CB PRO A 107 7.439 9.333 -7.791 1.00 0.00 C ATOM 1608 CG PRO A 107 5.929 9.346 -7.963 1.00 0.00 C ATOM 1609 CD PRO A 107 5.342 8.320 -7.008 1.00 0.00 C ATOM 0 HA PRO A 107 8.581 7.926 -6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.834 10.347 -7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.925 8.852 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.529 10.338 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.660 9.107 -8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.602 8.772 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.839 7.518 -7.549 1.00 0.00 H new ATOM 1617 N ARG A 108 9.288 9.920 -5.290 1.00 0.00 N ATOM 1618 CA ARG A 108 9.745 10.795 -4.225 1.00 0.00 C ATOM 1619 C ARG A 108 8.645 11.788 -3.845 1.00 0.00 C ATOM 1620 O ARG A 108 7.990 12.358 -4.717 1.00 0.00 O ATOM 1621 CB ARG A 108 10.997 11.568 -4.645 1.00 0.00 C ATOM 1622 CG ARG A 108 12.241 10.681 -4.568 1.00 0.00 C ATOM 1623 CD ARG A 108 13.040 10.742 -5.871 1.00 0.00 C ATOM 1624 NE ARG A 108 13.284 12.152 -6.249 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.916 12.531 -7.369 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.372 11.608 -8.226 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.092 13.834 -7.630 1.00 0.00 N ATOM 0 H ARG A 108 9.998 9.687 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 108 9.989 10.171 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.874 11.941 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.125 12.437 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.869 11.001 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.946 9.651 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.989 10.220 -5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.495 10.233 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 108 12.951 12.881 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.238 10.617 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.853 11.897 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.745 14.536 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.573 14.123 -8.482 1.00 0.00 H new