USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 878 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 54 TYR OH : rot 80:sc= -0.649 USER MOD Set 1.2: A 92 ASN : amide:sc= -2.09! C(o=-2.7!,f=-5.6!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 62 MET CE :methyl 158:sc= -2.36 (180deg=-3.71!) USER MOD Set 2.3: A 88 MET CE :methyl -158:sc= -2.38! (180deg=-3.7!) USER MOD Set 3.1: A 47 SER OG : rot -160:sc= 0.635 USER MOD Set 3.2: A 49 SER OG : rot -30:sc= 0.287 USER MOD Set 4.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 39 SER OG : rot -10:sc= 0.586! USER MOD Set 4.3: A 64 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 5.1: A 21 ASN : amide:sc= -2.36 K(o=-2.4,f=-7.4!) USER MOD Set 5.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 17 GLN :FLIP amide:sc= -0.0915 F(o=-1.4,f=-0.41) USER MOD Set 6.2: A 74 ASN : amide:sc= -0.323 K(o=-0.41,f=-2!) USER MOD Single : A 16 MET CE :methyl -165:sc= -0.349 (180deg=-1.04) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -0.12 (180deg=-2.15!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 71 MET CE :methyl -169:sc= -2.46 (180deg=-3.34!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 110:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.65) USER MOD Single : A 81 SER OG : rot -82:sc= 0.551 USER MOD Single : A 82 MET CE :methyl -133:sc= -1.13 (180deg=-2.85!) USER MOD Single : A 89 MET CE :methyl -142:sc= -0.0814 (180deg=-0.203) USER MOD Single : A 91 ASN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.0287 USER MOD Single : A 95 THR OG1 : rot -39:sc= 0.472 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.092) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= -0.031 (180deg=-0.289) USER MOD Single : A 111 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -7.190 18.058 3.433 1.00 0.00 N ATOM 196 CA PRO A 15 -8.065 16.910 3.175 1.00 0.00 C ATOM 197 C PRO A 15 -7.354 15.800 2.408 1.00 0.00 C ATOM 198 O PRO A 15 -7.844 14.673 2.333 1.00 0.00 O ATOM 199 CB PRO A 15 -9.193 17.507 2.329 1.00 0.00 C ATOM 200 CG PRO A 15 -8.583 18.696 1.670 1.00 0.00 C ATOM 201 CD PRO A 15 -7.578 19.241 2.647 1.00 0.00 C ATOM 0 HA PRO A 15 -8.408 16.443 4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.558 16.790 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.044 17.790 2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.104 18.419 0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.341 19.442 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.722 19.684 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.011 20.018 3.277 1.00 0.00 H new ATOM 209 N MET A 16 -6.198 16.126 1.841 1.00 0.00 N ATOM 210 CA MET A 16 -5.419 15.155 1.081 1.00 0.00 C ATOM 211 C MET A 16 -4.747 14.150 2.011 1.00 0.00 C ATOM 212 O MET A 16 -4.692 12.957 1.714 1.00 0.00 O ATOM 213 CB MET A 16 -4.365 15.866 0.232 1.00 0.00 C ATOM 214 CG MET A 16 -4.873 16.293 -1.136 1.00 0.00 C ATOM 215 SD MET A 16 -5.419 14.899 -2.141 1.00 0.00 S ATOM 216 CE MET A 16 -4.094 13.730 -1.845 1.00 0.00 C ATOM 0 H MET A 16 -5.780 17.055 1.893 1.00 0.00 H new ATOM 0 HA MET A 16 -6.100 14.615 0.423 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.010 16.745 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.508 15.205 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.701 16.991 -1.010 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.082 16.828 -1.662 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.139 12.934 -2.588 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.134 14.242 -1.919 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.202 13.303 -0.848 1.00 0.00 H new ATOM 226 N GLN A 17 -4.236 14.641 3.136 1.00 0.00 N ATOM 227 CA GLN A 17 -3.567 13.785 4.108 1.00 0.00 C ATOM 228 C GLN A 17 -4.482 12.651 4.557 1.00 0.00 C ATOM 229 O GLN A 17 -4.083 11.487 4.568 1.00 0.00 O ATOM 230 CB GLN A 17 -3.119 14.606 5.319 1.00 0.00 C ATOM 231 CG GLN A 17 -2.327 13.803 6.339 1.00 0.00 C ATOM 232 CD GLN A 17 -0.842 13.778 6.035 1.00 0.00 C ATOM 233 OE1 GLN A 17 -0.154 14.868 6.353 1.00 0.00 O flip ATOM 234 NE2 GLN A 17 -0.319 12.790 5.520 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.273 15.627 3.396 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.690 13.350 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.510 15.442 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.998 15.030 5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.484 14.227 7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.706 12.781 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.886 11.973 5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.681 12.788 5.321 1.00 0.00 H new ATOM 243 N GLN A 18 -5.710 13.000 4.926 1.00 0.00 N ATOM 244 CA GLN A 18 -6.682 12.011 5.377 1.00 0.00 C ATOM 245 C GLN A 18 -7.045 11.051 4.249 1.00 0.00 C ATOM 246 O GLN A 18 -7.223 9.853 4.472 1.00 0.00 O ATOM 247 CB GLN A 18 -7.942 12.704 5.899 1.00 0.00 C ATOM 248 CG GLN A 18 -7.655 13.843 6.864 1.00 0.00 C ATOM 249 CD GLN A 18 -8.917 14.526 7.352 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.003 13.947 7.317 1.00 0.00 O ATOM 251 NE2 GLN A 18 -8.780 15.765 7.811 1.00 0.00 N ATOM 0 H GLN A 18 -6.055 13.960 4.922 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.230 11.437 6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.511 13.090 5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.572 11.967 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.101 13.458 7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.015 14.577 6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.860 16.206 7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.594 16.275 8.153 1.00 0.00 H new ATOM 260 N LYS A 19 -7.154 11.584 3.037 1.00 0.00 N ATOM 261 CA LYS A 19 -7.495 10.776 1.873 1.00 0.00 C ATOM 262 C LYS A 19 -6.541 9.594 1.732 1.00 0.00 C ATOM 263 O LYS A 19 -6.818 8.643 1.000 1.00 0.00 O ATOM 264 CB LYS A 19 -7.456 11.630 0.604 1.00 0.00 C ATOM 265 CG LYS A 19 -8.034 10.934 -0.616 1.00 0.00 C ATOM 266 CD LYS A 19 -9.524 11.200 -0.757 1.00 0.00 C ATOM 267 CE LYS A 19 -10.107 10.481 -1.963 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.276 11.208 -2.531 1.00 0.00 N ATOM 0 H LYS A 19 -7.011 12.574 2.835 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.505 10.391 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.008 12.553 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.423 11.910 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.516 11.278 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.861 9.861 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.040 10.874 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.696 12.272 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.339 10.375 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.411 9.475 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.645 10.686 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.020 11.288 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.981 12.159 -2.830 1.00 0.00 H new ATOM 282 N LEU A 20 -5.418 9.660 2.439 1.00 0.00 N ATOM 283 CA LEU A 20 -4.423 8.594 2.394 1.00 0.00 C ATOM 284 C LEU A 20 -4.775 7.479 3.374 1.00 0.00 C ATOM 285 O LEU A 20 -4.731 6.299 3.028 1.00 0.00 O ATOM 286 CB LEU A 20 -3.035 9.151 2.715 1.00 0.00 C ATOM 287 CG LEU A 20 -2.403 10.038 1.642 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.429 11.023 2.269 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.704 9.188 0.591 1.00 0.00 C ATOM 0 H LEU A 20 -5.174 10.440 3.050 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.417 8.179 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.101 9.724 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.365 8.313 2.906 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.195 10.605 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.989 11.646 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.959 11.654 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.640 10.476 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.260 9.836 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.922 8.594 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.428 8.524 0.119 1.00 0.00 H new ATOM 301 N ASN A 21 -5.126 7.862 4.597 1.00 0.00 N ATOM 302 CA ASN A 21 -5.488 6.894 5.626 1.00 0.00 C ATOM 303 C ASN A 21 -6.874 6.314 5.365 1.00 0.00 C ATOM 304 O ASN A 21 -7.135 5.148 5.658 1.00 0.00 O ATOM 305 CB ASN A 21 -5.449 7.550 7.008 1.00 0.00 C ATOM 306 CG ASN A 21 -5.752 6.568 8.123 1.00 0.00 C ATOM 307 OD1 ASN A 21 -6.884 6.108 8.270 1.00 0.00 O ATOM 308 ND2 ASN A 21 -4.738 6.242 8.916 1.00 0.00 N ATOM 0 H ASN A 21 -5.167 8.835 4.900 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.763 6.081 5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.465 7.988 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.171 8.366 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.881 5.586 9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.816 6.648 8.757 1.00 0.00 H new ATOM 315 N GLU A 22 -7.760 7.138 4.812 1.00 0.00 N ATOM 316 CA GLU A 22 -9.120 6.706 4.512 1.00 0.00 C ATOM 317 C GLU A 22 -9.113 5.493 3.586 1.00 0.00 C ATOM 318 O GLU A 22 -9.895 4.558 3.763 1.00 0.00 O ATOM 319 CB GLU A 22 -9.911 7.847 3.870 1.00 0.00 C ATOM 320 CG GLU A 22 -9.557 8.088 2.412 1.00 0.00 C ATOM 321 CD GLU A 22 -10.453 9.122 1.757 1.00 0.00 C ATOM 322 OE1 GLU A 22 -10.669 10.191 2.365 1.00 0.00 O ATOM 323 OE2 GLU A 22 -10.937 8.861 0.636 1.00 0.00 O ATOM 0 H GLU A 22 -7.560 8.107 4.563 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.600 6.424 5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.976 7.627 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.734 8.763 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.520 8.416 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.631 7.149 1.864 1.00 0.00 H new ATOM 330 N VAL A 23 -8.226 5.515 2.597 1.00 0.00 N ATOM 331 CA VAL A 23 -8.116 4.419 1.642 1.00 0.00 C ATOM 332 C VAL A 23 -7.345 3.246 2.238 1.00 0.00 C ATOM 333 O VAL A 23 -7.782 2.098 2.160 1.00 0.00 O ATOM 334 CB VAL A 23 -7.420 4.870 0.345 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.993 3.666 -0.480 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.334 5.782 -0.460 1.00 0.00 C ATOM 0 H VAL A 23 -7.572 6.281 2.436 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.132 4.102 1.408 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.525 5.433 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.503 4.006 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.300 3.056 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.870 3.072 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.826 6.091 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.248 5.247 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.583 6.662 0.133 1.00 0.00 H new ATOM 346 N TYR A 24 -6.196 3.544 2.835 1.00 0.00 N ATOM 347 CA TYR A 24 -5.361 2.514 3.443 1.00 0.00 C ATOM 348 C TYR A 24 -6.161 1.687 4.445 1.00 0.00 C ATOM 349 O TYR A 24 -5.904 0.498 4.629 1.00 0.00 O ATOM 350 CB TYR A 24 -4.155 3.150 4.137 1.00 0.00 C ATOM 351 CG TYR A 24 -3.507 2.253 5.167 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.176 1.907 6.335 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.227 1.750 4.972 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.587 1.089 7.280 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.631 0.929 5.910 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.315 0.602 7.063 1.00 0.00 C ATOM 357 OH TYR A 24 -1.726 -0.215 8.000 1.00 0.00 O ATOM 0 H TYR A 24 -5.822 4.490 2.911 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.009 1.852 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.414 3.420 3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.470 4.075 4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.173 2.284 6.507 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.688 2.005 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.120 0.832 8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.636 0.545 5.742 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.831 -0.472 7.694 1.00 0.00 H new ATOM 367 N GLU A 25 -7.132 2.327 5.090 1.00 0.00 N ATOM 368 CA GLU A 25 -7.969 1.650 6.074 1.00 0.00 C ATOM 369 C GLU A 25 -8.972 0.725 5.390 1.00 0.00 C ATOM 370 O GLU A 25 -9.083 -0.450 5.736 1.00 0.00 O ATOM 371 CB GLU A 25 -8.709 2.675 6.936 1.00 0.00 C ATOM 372 CG GLU A 25 -7.841 3.307 8.011 1.00 0.00 C ATOM 373 CD GLU A 25 -8.641 4.140 8.993 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.694 4.680 8.592 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.215 4.254 10.161 1.00 0.00 O ATOM 0 H GLU A 25 -7.358 3.312 4.949 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.322 1.048 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.105 3.461 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.563 2.190 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.312 2.523 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.085 3.935 7.539 1.00 0.00 H new ATOM 382 N ALA A 26 -9.700 1.266 4.418 1.00 0.00 N ATOM 383 CA ALA A 26 -10.692 0.490 3.685 1.00 0.00 C ATOM 384 C ALA A 26 -10.178 -0.914 3.385 1.00 0.00 C ATOM 385 O ALA A 26 -10.918 -1.893 3.489 1.00 0.00 O ATOM 386 CB ALA A 26 -11.072 1.202 2.396 1.00 0.00 C ATOM 0 H ALA A 26 -9.621 2.238 4.120 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.580 0.398 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.814 0.611 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.489 2.181 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.186 1.325 1.773 1.00 0.00 H new ATOM 392 N VAL A 27 -8.906 -1.006 3.010 1.00 0.00 N ATOM 393 CA VAL A 27 -8.293 -2.291 2.694 1.00 0.00 C ATOM 394 C VAL A 27 -8.057 -3.112 3.957 1.00 0.00 C ATOM 395 O VAL A 27 -8.289 -4.321 3.977 1.00 0.00 O ATOM 396 CB VAL A 27 -6.953 -2.108 1.957 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.251 -3.446 1.784 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.175 -1.435 0.610 1.00 0.00 C ATOM 0 H VAL A 27 -8.280 -0.206 2.918 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.988 -2.821 2.043 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.312 -1.464 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.306 -3.296 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.059 -3.885 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.884 -4.117 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.218 -1.313 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.834 -2.052 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.632 -0.457 0.763 1.00 0.00 H new ATOM 408 N LYS A 28 -7.595 -2.448 5.011 1.00 0.00 N ATOM 409 CA LYS A 28 -7.329 -3.114 6.280 1.00 0.00 C ATOM 410 C LYS A 28 -8.614 -3.676 6.879 1.00 0.00 C ATOM 411 O LYS A 28 -8.606 -4.736 7.504 1.00 0.00 O ATOM 412 CB LYS A 28 -6.678 -2.140 7.264 1.00 0.00 C ATOM 413 CG LYS A 28 -5.830 -2.823 8.324 1.00 0.00 C ATOM 414 CD LYS A 28 -5.281 -1.823 9.328 1.00 0.00 C ATOM 415 CE LYS A 28 -4.113 -2.402 10.110 1.00 0.00 C ATOM 416 NZ LYS A 28 -3.804 -1.597 11.324 1.00 0.00 N ATOM 0 H LYS A 28 -7.397 -1.447 5.011 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.645 -3.941 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.056 -1.438 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.457 -1.557 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.429 -3.571 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.005 -3.351 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.960 -0.921 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.071 -1.528 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.344 -3.426 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.232 -2.445 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.002 -2.025 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.558 -0.626 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.636 -1.577 11.948 1.00 0.00 H new ATOM 430 N ASN A 29 -9.716 -2.960 6.683 1.00 0.00 N ATOM 431 CA ASN A 29 -11.009 -3.388 7.204 1.00 0.00 C ATOM 432 C ASN A 29 -11.670 -4.390 6.263 1.00 0.00 C ATOM 433 O ASN A 29 -12.404 -5.277 6.699 1.00 0.00 O ATOM 434 CB ASN A 29 -11.926 -2.180 7.407 1.00 0.00 C ATOM 435 CG ASN A 29 -11.625 -1.435 8.693 1.00 0.00 C ATOM 436 OD1 ASN A 29 -11.598 -2.025 9.773 1.00 0.00 O ATOM 437 ND2 ASN A 29 -11.397 -0.132 8.582 1.00 0.00 N ATOM 0 H ASN A 29 -9.740 -2.080 6.167 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.842 -3.875 8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.818 -1.499 6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.964 -2.513 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.189 0.422 9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.430 0.315 7.666 1.00 0.00 H new ATOM 444 N TYR A 30 -11.404 -4.242 4.970 1.00 0.00 N ATOM 445 CA TYR A 30 -11.974 -5.133 3.966 1.00 0.00 C ATOM 446 C TYR A 30 -12.110 -6.552 4.510 1.00 0.00 C ATOM 447 O TYR A 30 -11.176 -7.096 5.099 1.00 0.00 O ATOM 448 CB TYR A 30 -11.105 -5.139 2.707 1.00 0.00 C ATOM 449 CG TYR A 30 -11.671 -5.979 1.584 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.709 -5.506 0.791 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.167 -7.246 1.316 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.230 -6.270 -0.235 1.00 0.00 C ATOM 453 CE2 TYR A 30 -11.681 -8.017 0.291 1.00 0.00 C ATOM 454 CZ TYR A 30 -12.712 -7.525 -0.481 1.00 0.00 C ATOM 455 OH TYR A 30 -13.227 -8.289 -1.503 1.00 0.00 O ATOM 0 H TYR A 30 -10.798 -3.514 4.592 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.968 -4.764 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.981 -4.114 2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.113 -5.510 2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.116 -4.524 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.360 -7.635 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.038 -5.887 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.277 -9.000 0.096 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.561 -7.703 -2.213 1.00 0.00 H new ATOM 465 N THR A 31 -13.282 -7.146 4.308 1.00 0.00 N ATOM 466 CA THR A 31 -13.542 -8.501 4.777 1.00 0.00 C ATOM 467 C THR A 31 -13.941 -9.416 3.625 1.00 0.00 C ATOM 468 O THR A 31 -13.935 -9.006 2.464 1.00 0.00 O ATOM 469 CB THR A 31 -14.655 -8.522 5.843 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.602 -7.480 5.582 1.00 0.00 O ATOM 471 CG2 THR A 31 -14.072 -8.348 7.237 1.00 0.00 C ATOM 0 H THR A 31 -14.066 -6.710 3.823 1.00 0.00 H new ATOM 0 HA THR A 31 -12.615 -8.864 5.221 1.00 0.00 H new ATOM 0 HB THR A 31 -15.157 -9.489 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 31 -16.307 -7.501 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.876 -8.366 7.973 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.373 -9.159 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.548 -7.394 7.296 1.00 0.00 H new ATOM 479 N ASP A 32 -14.288 -10.655 3.952 1.00 0.00 N ATOM 480 CA ASP A 32 -14.691 -11.628 2.944 1.00 0.00 C ATOM 481 C ASP A 32 -16.204 -11.824 2.952 1.00 0.00 C ATOM 482 O ASP A 32 -16.926 -11.136 3.674 1.00 0.00 O ATOM 483 CB ASP A 32 -13.990 -12.966 3.185 1.00 0.00 C ATOM 484 CG ASP A 32 -13.846 -13.782 1.916 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.068 -13.368 1.030 1.00 0.00 O ATOM 486 OD2 ASP A 32 -14.509 -14.834 1.808 1.00 0.00 O ATOM 0 H ASP A 32 -14.298 -11.010 4.908 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.397 -11.244 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.003 -12.784 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.553 -13.540 3.921 1.00 0.00 H new ATOM 491 N LYS A 33 -16.678 -12.765 2.143 1.00 0.00 N ATOM 492 CA LYS A 33 -18.105 -13.052 2.056 1.00 0.00 C ATOM 493 C LYS A 33 -18.684 -13.357 3.434 1.00 0.00 C ATOM 494 O LYS A 33 -19.819 -12.988 3.736 1.00 0.00 O ATOM 495 CB LYS A 33 -18.352 -14.233 1.114 1.00 0.00 C ATOM 496 CG LYS A 33 -18.187 -13.885 -0.355 1.00 0.00 C ATOM 497 CD LYS A 33 -18.054 -15.132 -1.212 1.00 0.00 C ATOM 498 CE LYS A 33 -16.614 -15.619 -1.267 1.00 0.00 C ATOM 499 NZ LYS A 33 -16.266 -16.454 -0.084 1.00 0.00 N ATOM 0 H LYS A 33 -16.094 -13.342 1.538 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.604 -12.168 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.663 -15.039 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.361 -14.612 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.045 -13.302 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.305 -13.258 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.691 -15.920 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.407 -14.920 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.461 -16.198 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.942 -14.762 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.676 -17.255 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.742 -15.878 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.137 -16.813 0.356 1.00 0.00 H new ATOM 513 N ARG A 34 -17.896 -14.031 4.265 1.00 0.00 N ATOM 514 CA ARG A 34 -18.331 -14.385 5.611 1.00 0.00 C ATOM 515 C ARG A 34 -17.790 -13.392 6.636 1.00 0.00 C ATOM 516 O ARG A 34 -18.445 -13.096 7.634 1.00 0.00 O ATOM 517 CB ARG A 34 -17.869 -15.800 5.964 1.00 0.00 C ATOM 518 CG ARG A 34 -16.402 -15.883 6.353 1.00 0.00 C ATOM 519 CD ARG A 34 -16.062 -17.235 6.959 1.00 0.00 C ATOM 520 NE ARG A 34 -14.967 -17.144 7.922 1.00 0.00 N ATOM 521 CZ ARG A 34 -15.045 -16.464 9.061 1.00 0.00 C ATOM 522 NH1 ARG A 34 -16.160 -15.821 9.378 1.00 0.00 N ATOM 523 NH2 ARG A 34 -14.006 -16.428 9.886 1.00 0.00 N ATOM 0 H ARG A 34 -16.954 -14.343 4.030 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.420 -14.349 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -18.476 -16.176 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.047 -16.455 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.781 -15.711 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.169 -15.094 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.944 -17.644 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.789 -17.930 6.165 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.095 -17.629 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.961 -15.847 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.217 -15.300 10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.147 -16.923 9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.067 -15.906 10.760 1.00 0.00 H new ATOM 537 N GLY A 35 -16.589 -12.881 6.381 1.00 0.00 N ATOM 538 CA GLY A 35 -15.980 -11.927 7.290 1.00 0.00 C ATOM 539 C GLY A 35 -14.532 -12.257 7.591 1.00 0.00 C ATOM 540 O GLY A 35 -14.096 -12.176 8.739 1.00 0.00 O ATOM 0 H GLY A 35 -16.027 -13.111 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.040 -10.928 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.546 -11.905 8.221 1.00 0.00 H new ATOM 544 N ARG A 36 -13.785 -12.631 6.557 1.00 0.00 N ATOM 545 CA ARG A 36 -12.377 -12.977 6.717 1.00 0.00 C ATOM 546 C ARG A 36 -11.481 -11.811 6.309 1.00 0.00 C ATOM 547 O ARG A 36 -11.423 -11.441 5.137 1.00 0.00 O ATOM 548 CB ARG A 36 -12.036 -14.213 5.883 1.00 0.00 C ATOM 549 CG ARG A 36 -12.247 -15.524 6.622 1.00 0.00 C ATOM 550 CD ARG A 36 -12.017 -16.720 5.712 1.00 0.00 C ATOM 551 NE ARG A 36 -12.143 -17.986 6.429 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.936 -19.172 5.868 1.00 0.00 C ATOM 553 NH1 ARG A 36 -11.594 -19.254 4.590 1.00 0.00 N ATOM 554 NH2 ARG A 36 -12.071 -20.280 6.587 1.00 0.00 N ATOM 0 H ARG A 36 -14.131 -12.702 5.600 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.200 -13.197 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.648 -14.212 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.996 -14.149 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.568 -15.577 7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.261 -15.559 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.735 -16.695 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.024 -16.652 5.268 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.404 -17.958 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.489 -18.405 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.436 -20.166 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.334 -20.221 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.912 -21.190 6.156 1.00 0.00 H new ATOM 568 N ARG A 37 -10.785 -11.237 7.285 1.00 0.00 N ATOM 569 CA ARG A 37 -9.893 -10.113 7.028 1.00 0.00 C ATOM 570 C ARG A 37 -8.851 -10.475 5.974 1.00 0.00 C ATOM 571 O ARG A 37 -8.187 -11.508 6.072 1.00 0.00 O ATOM 572 CB ARG A 37 -9.199 -9.679 8.320 1.00 0.00 C ATOM 573 CG ARG A 37 -8.624 -8.273 8.261 1.00 0.00 C ATOM 574 CD ARG A 37 -8.565 -7.637 9.641 1.00 0.00 C ATOM 575 NE ARG A 37 -7.509 -6.633 9.735 1.00 0.00 N ATOM 576 CZ ARG A 37 -7.239 -5.952 10.844 1.00 0.00 C ATOM 577 NH1 ARG A 37 -7.944 -6.168 11.946 1.00 0.00 N ATOM 578 NH2 ARG A 37 -6.262 -5.054 10.852 1.00 0.00 N ATOM 0 H ARG A 37 -10.822 -11.532 8.261 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.493 -9.285 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.912 -9.736 9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.396 -10.381 8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.623 -8.306 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.234 -7.657 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.526 -7.175 9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.397 -8.411 10.390 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.948 -6.444 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.695 -6.858 11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.735 -5.644 12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.717 -4.886 10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.056 -4.532 11.704 1.00 0.00 H new ATOM 592 N LEU A 38 -8.713 -9.620 4.967 1.00 0.00 N ATOM 593 CA LEU A 38 -7.752 -9.850 3.894 1.00 0.00 C ATOM 594 C LEU A 38 -6.351 -9.416 4.316 1.00 0.00 C ATOM 595 O LEU A 38 -5.379 -10.144 4.118 1.00 0.00 O ATOM 596 CB LEU A 38 -8.175 -9.095 2.633 1.00 0.00 C ATOM 597 CG LEU A 38 -9.079 -9.858 1.665 1.00 0.00 C ATOM 598 CD1 LEU A 38 -8.350 -11.063 1.091 1.00 0.00 C ATOM 599 CD2 LEU A 38 -10.361 -10.291 2.362 1.00 0.00 C ATOM 0 H LEU A 38 -9.254 -8.761 4.871 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.732 -10.919 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.689 -8.182 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.276 -8.792 2.097 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.342 -9.193 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.009 -11.594 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.461 -10.729 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.057 -11.731 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.993 -10.833 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.117 -10.939 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.893 -9.411 2.724 1.00 0.00 H new ATOM 611 N SER A 39 -6.257 -8.225 4.899 1.00 0.00 N ATOM 612 CA SER A 39 -4.976 -7.693 5.347 1.00 0.00 C ATOM 613 C SER A 39 -4.439 -8.493 6.530 1.00 0.00 C ATOM 614 O SER A 39 -3.307 -8.291 6.968 1.00 0.00 O ATOM 615 CB SER A 39 -5.119 -6.220 5.736 1.00 0.00 C ATOM 616 OG SER A 39 -3.999 -5.779 6.483 1.00 0.00 O ATOM 0 H SER A 39 -7.053 -7.611 5.072 1.00 0.00 H new ATOM 0 HA SER A 39 -4.268 -7.777 4.523 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.223 -5.612 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.028 -6.082 6.322 1.00 0.00 H new ATOM 0 HG SER A 39 -3.445 -6.549 6.727 1.00 0.00 H new ATOM 622 N ALA A 40 -5.261 -9.402 7.043 1.00 0.00 N ATOM 623 CA ALA A 40 -4.870 -10.235 8.174 1.00 0.00 C ATOM 624 C ALA A 40 -3.506 -10.875 7.938 1.00 0.00 C ATOM 625 O ALA A 40 -2.620 -10.802 8.790 1.00 0.00 O ATOM 626 CB ALA A 40 -5.921 -11.305 8.431 1.00 0.00 C ATOM 0 H ALA A 40 -6.202 -9.581 6.693 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.795 -9.597 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.615 -11.919 9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.877 -10.830 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.025 -11.933 7.546 1.00 0.00 H new ATOM 632 N ILE A 41 -3.346 -11.503 6.778 1.00 0.00 N ATOM 633 CA ILE A 41 -2.089 -12.156 6.431 1.00 0.00 C ATOM 634 C ILE A 41 -1.093 -11.158 5.851 1.00 0.00 C ATOM 635 O ILE A 41 -0.023 -11.538 5.375 1.00 0.00 O ATOM 636 CB ILE A 41 -2.308 -13.294 5.417 1.00 0.00 C ATOM 637 CG1 ILE A 41 -1.043 -14.146 5.293 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.706 -12.727 4.062 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.311 -15.562 4.832 1.00 0.00 C ATOM 0 H ILE A 41 -4.070 -11.574 6.063 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.685 -12.574 7.353 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.118 -13.929 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.360 -13.667 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.539 -14.176 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.857 -13.544 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.631 -12.159 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.916 -12.072 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.370 -16.108 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.969 -16.058 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.787 -15.542 3.852 1.00 0.00 H new ATOM 651 N PHE A 42 -1.450 -9.879 5.897 1.00 0.00 N ATOM 652 CA PHE A 42 -0.587 -8.825 5.376 1.00 0.00 C ATOM 653 C PHE A 42 -0.469 -7.677 6.375 1.00 0.00 C ATOM 654 O PHE A 42 -0.313 -6.517 5.989 1.00 0.00 O ATOM 655 CB PHE A 42 -1.129 -8.304 4.044 1.00 0.00 C ATOM 656 CG PHE A 42 -1.042 -9.305 2.928 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.120 -10.031 2.720 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.122 -9.522 2.088 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.202 -10.953 1.694 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.045 -10.443 1.060 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.882 -11.160 0.864 1.00 0.00 C ATOM 0 H PHE A 42 -2.331 -9.547 6.290 1.00 0.00 H new ATOM 0 HA PHE A 42 0.405 -9.247 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.170 -8.008 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.576 -7.408 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.971 -9.874 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.035 -8.965 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.114 -11.512 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.894 -10.601 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.820 -11.882 0.063 1.00 0.00 H new ATOM 671 N LEU A 43 -0.546 -8.007 7.659 1.00 0.00 N ATOM 672 CA LEU A 43 -0.448 -7.005 8.714 1.00 0.00 C ATOM 673 C LEU A 43 1.009 -6.727 9.068 1.00 0.00 C ATOM 674 O LEU A 43 1.553 -5.678 8.721 1.00 0.00 O ATOM 675 CB LEU A 43 -1.207 -7.469 9.958 1.00 0.00 C ATOM 676 CG LEU A 43 -2.693 -7.113 10.010 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.312 -7.594 11.313 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.888 -5.613 9.846 1.00 0.00 C ATOM 0 H LEU A 43 -0.676 -8.961 7.995 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.896 -6.082 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.111 -8.552 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.721 -7.043 10.836 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.197 -7.617 9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.370 -7.332 11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.205 -8.676 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.805 -7.119 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.952 -5.378 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.370 -5.089 10.649 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.482 -5.296 8.885 1.00 0.00 H new ATOM 690 N ARG A 44 1.636 -7.673 9.759 1.00 0.00 N ATOM 691 CA ARG A 44 3.031 -7.531 10.158 1.00 0.00 C ATOM 692 C ARG A 44 3.900 -8.589 9.486 1.00 0.00 C ATOM 693 O ARG A 44 3.703 -9.788 9.685 1.00 0.00 O ATOM 694 CB ARG A 44 3.161 -7.639 11.679 1.00 0.00 C ATOM 695 CG ARG A 44 2.519 -6.484 12.429 1.00 0.00 C ATOM 696 CD ARG A 44 2.049 -6.911 13.811 1.00 0.00 C ATOM 697 NE ARG A 44 3.146 -6.952 14.774 1.00 0.00 N ATOM 698 CZ ARG A 44 3.087 -7.608 15.928 1.00 0.00 C ATOM 699 NH1 ARG A 44 1.990 -8.275 16.259 1.00 0.00 N ATOM 700 NH2 ARG A 44 4.127 -7.599 16.751 1.00 0.00 N ATOM 0 H ARG A 44 1.200 -8.546 10.054 1.00 0.00 H new ATOM 0 HA ARG A 44 3.376 -6.547 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.706 -8.573 12.009 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.218 -7.689 11.942 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.234 -5.667 12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.673 -6.103 11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.283 -6.220 14.163 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.585 -7.895 13.748 1.00 0.00 H new ATOM 0 HE ARG A 44 4.005 -6.450 14.548 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.189 -8.285 15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.947 -8.778 17.145 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.973 -7.088 16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.081 -8.103 17.637 1.00 0.00 H new ATOM 714 N LEU A 45 4.861 -8.137 8.687 1.00 0.00 N ATOM 715 CA LEU A 45 5.761 -9.045 7.984 1.00 0.00 C ATOM 716 C LEU A 45 6.789 -9.641 8.940 1.00 0.00 C ATOM 717 O LEU A 45 7.112 -9.068 9.981 1.00 0.00 O ATOM 718 CB LEU A 45 6.472 -8.309 6.847 1.00 0.00 C ATOM 719 CG LEU A 45 7.810 -7.660 7.200 1.00 0.00 C ATOM 720 CD1 LEU A 45 8.503 -7.148 5.947 1.00 0.00 C ATOM 721 CD2 LEU A 45 7.608 -6.530 8.199 1.00 0.00 C ATOM 0 H LEU A 45 5.037 -7.148 8.510 1.00 0.00 H new ATOM 0 HA LEU A 45 5.166 -9.858 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.637 -9.014 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.804 -7.535 6.469 1.00 0.00 H new ATOM 0 HG LEU A 45 8.447 -8.415 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.454 -6.689 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.683 -7.979 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.870 -6.408 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.571 -6.080 8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.952 -5.775 7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.156 -6.925 9.109 1.00 0.00 H new ATOM 733 N PRO A 46 7.318 -10.820 8.580 1.00 0.00 N ATOM 734 CA PRO A 46 8.320 -11.519 9.390 1.00 0.00 C ATOM 735 C PRO A 46 9.667 -10.803 9.391 1.00 0.00 C ATOM 736 O PRO A 46 10.254 -10.563 8.336 1.00 0.00 O ATOM 737 CB PRO A 46 8.440 -12.883 8.707 1.00 0.00 C ATOM 738 CG PRO A 46 8.028 -12.638 7.296 1.00 0.00 C ATOM 739 CD PRO A 46 6.980 -11.561 7.353 1.00 0.00 C ATOM 0 HA PRO A 46 8.028 -11.577 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.460 -13.264 8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.797 -13.623 9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.878 -12.324 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.631 -13.546 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.016 -10.919 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.975 -11.980 7.401 1.00 0.00 H new ATOM 747 N SER A 47 10.151 -10.466 10.582 1.00 0.00 N ATOM 748 CA SER A 47 11.428 -9.774 10.720 1.00 0.00 C ATOM 749 C SER A 47 12.580 -10.667 10.271 1.00 0.00 C ATOM 750 O SER A 47 12.366 -11.773 9.774 1.00 0.00 O ATOM 751 CB SER A 47 11.641 -9.337 12.171 1.00 0.00 C ATOM 752 OG SER A 47 12.029 -10.433 12.982 1.00 0.00 O ATOM 0 H SER A 47 9.679 -10.661 11.465 1.00 0.00 H new ATOM 0 HA SER A 47 11.406 -8.891 10.082 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.406 -8.561 12.212 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.722 -8.899 12.561 1.00 0.00 H new ATOM 0 HG SER A 47 11.854 -10.222 13.923 1.00 0.00 H new ATOM 758 N ARG A 48 13.803 -10.179 10.450 1.00 0.00 N ATOM 759 CA ARG A 48 14.991 -10.931 10.063 1.00 0.00 C ATOM 760 C ARG A 48 15.325 -11.994 11.106 1.00 0.00 C ATOM 761 O ARG A 48 15.765 -13.093 10.767 1.00 0.00 O ATOM 762 CB ARG A 48 16.181 -9.988 9.882 1.00 0.00 C ATOM 763 CG ARG A 48 16.669 -9.365 11.180 1.00 0.00 C ATOM 764 CD ARG A 48 17.736 -10.222 11.842 1.00 0.00 C ATOM 765 NE ARG A 48 18.238 -9.617 13.073 1.00 0.00 N ATOM 766 CZ ARG A 48 19.134 -10.196 13.865 1.00 0.00 C ATOM 767 NH1 ARG A 48 19.623 -11.389 13.556 1.00 0.00 N ATOM 768 NH2 ARG A 48 19.541 -9.582 14.968 1.00 0.00 N ATOM 0 H ARG A 48 13.997 -9.266 10.861 1.00 0.00 H new ATOM 0 HA ARG A 48 14.783 -11.428 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.002 -10.537 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.902 -9.193 9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.071 -8.372 10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 48 15.828 -9.237 11.862 1.00 0.00 H new ATOM 0 HD2 ARG A 48 17.324 -11.207 12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.563 -10.371 11.148 1.00 0.00 H new ATOM 0 HE ARG A 48 17.881 -8.699 13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 48 19.311 -11.864 12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 48 20.311 -11.832 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 48 19.166 -8.664 15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 48 20.229 -10.027 15.575 1.00 0.00 H new ATOM 782 N SER A 49 15.113 -11.659 12.374 1.00 0.00 N ATOM 783 CA SER A 49 15.395 -12.583 13.467 1.00 0.00 C ATOM 784 C SER A 49 14.543 -13.842 13.347 1.00 0.00 C ATOM 785 O SER A 49 15.060 -14.959 13.372 1.00 0.00 O ATOM 786 CB SER A 49 15.139 -11.906 14.814 1.00 0.00 C ATOM 787 OG SER A 49 13.808 -11.429 14.901 1.00 0.00 O ATOM 0 H SER A 49 14.747 -10.754 12.671 1.00 0.00 H new ATOM 0 HA SER A 49 16.445 -12.869 13.407 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.329 -12.613 15.622 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.835 -11.077 14.946 1.00 0.00 H new ATOM 0 HG SER A 49 13.488 -11.187 14.007 1.00 0.00 H new ATOM 793 N GLU A 50 13.233 -13.653 13.217 1.00 0.00 N ATOM 794 CA GLU A 50 12.308 -14.773 13.095 1.00 0.00 C ATOM 795 C GLU A 50 12.451 -15.450 11.735 1.00 0.00 C ATOM 796 O GLU A 50 12.569 -16.673 11.646 1.00 0.00 O ATOM 797 CB GLU A 50 10.867 -14.298 13.292 1.00 0.00 C ATOM 798 CG GLU A 50 10.451 -14.204 14.750 1.00 0.00 C ATOM 799 CD GLU A 50 10.275 -15.565 15.395 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.118 -16.557 14.652 1.00 0.00 O ATOM 801 OE2 GLU A 50 10.294 -15.639 16.641 1.00 0.00 O ATOM 0 H GLU A 50 12.789 -12.735 13.194 1.00 0.00 H new ATOM 0 HA GLU A 50 12.552 -15.499 13.871 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.749 -13.320 12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.194 -14.982 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.201 -13.639 15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.516 -13.648 14.822 1.00 0.00 H new ATOM 808 N LEU A 51 12.439 -14.647 10.677 1.00 0.00 N ATOM 809 CA LEU A 51 12.566 -15.167 9.320 1.00 0.00 C ATOM 810 C LEU A 51 13.571 -14.349 8.515 1.00 0.00 C ATOM 811 O LEU A 51 13.210 -13.455 7.750 1.00 0.00 O ATOM 812 CB LEU A 51 11.207 -15.158 8.619 1.00 0.00 C ATOM 813 CG LEU A 51 10.986 -16.246 7.567 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.949 -17.620 8.220 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.702 -15.987 6.793 1.00 0.00 C ATOM 0 H LEU A 51 12.343 -13.633 10.733 1.00 0.00 H new ATOM 0 HA LEU A 51 12.928 -16.193 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.429 -15.251 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.073 -14.187 8.142 1.00 0.00 H new ATOM 0 HG LEU A 51 11.820 -16.221 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.791 -18.382 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.895 -17.807 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.135 -17.657 8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.561 -16.771 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.857 -15.984 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.767 -15.020 6.294 1.00 0.00 H new ATOM 827 N PRO A 52 14.864 -14.662 8.689 1.00 0.00 N ATOM 828 CA PRO A 52 15.948 -13.969 7.986 1.00 0.00 C ATOM 829 C PRO A 52 15.969 -14.290 6.495 1.00 0.00 C ATOM 830 O PRO A 52 16.125 -13.399 5.661 1.00 0.00 O ATOM 831 CB PRO A 52 17.210 -14.503 8.666 1.00 0.00 C ATOM 832 CG PRO A 52 16.817 -15.836 9.203 1.00 0.00 C ATOM 833 CD PRO A 52 15.367 -15.716 9.585 1.00 0.00 C ATOM 0 HA PRO A 52 15.844 -12.885 8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.035 -14.589 7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.542 -13.838 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.961 -16.616 8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.427 -16.105 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.834 -16.656 9.439 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.249 -15.442 10.633 1.00 0.00 H new ATOM 841 N ASP A 53 15.812 -15.568 6.167 1.00 0.00 N ATOM 842 CA ASP A 53 15.811 -16.006 4.777 1.00 0.00 C ATOM 843 C ASP A 53 14.861 -15.157 3.939 1.00 0.00 C ATOM 844 O ASP A 53 15.186 -14.765 2.818 1.00 0.00 O ATOM 845 CB ASP A 53 15.414 -17.480 4.684 1.00 0.00 C ATOM 846 CG ASP A 53 13.958 -17.710 5.040 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.082 -17.257 4.274 1.00 0.00 O ATOM 848 OD2 ASP A 53 13.695 -18.343 6.084 1.00 0.00 O ATOM 0 H ASP A 53 15.684 -16.319 6.846 1.00 0.00 H new ATOM 0 HA ASP A 53 16.820 -15.884 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.599 -17.840 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.045 -18.066 5.351 1.00 0.00 H new ATOM 853 N TYR A 54 13.685 -14.876 4.490 1.00 0.00 N ATOM 854 CA TYR A 54 12.686 -14.076 3.793 1.00 0.00 C ATOM 855 C TYR A 54 13.326 -12.859 3.132 1.00 0.00 C ATOM 856 O TYR A 54 12.857 -12.381 2.098 1.00 0.00 O ATOM 857 CB TYR A 54 11.593 -13.626 4.764 1.00 0.00 C ATOM 858 CG TYR A 54 10.888 -12.358 4.338 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.230 -12.283 3.117 1.00 0.00 C ATOM 860 CD2 TYR A 54 10.880 -11.236 5.157 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.585 -11.126 2.723 1.00 0.00 C ATOM 862 CE2 TYR A 54 10.236 -10.076 4.772 1.00 0.00 C ATOM 863 CZ TYR A 54 9.591 -10.026 3.554 1.00 0.00 C ATOM 864 OH TYR A 54 8.948 -8.872 3.167 1.00 0.00 O ATOM 0 H TYR A 54 13.401 -15.191 5.418 1.00 0.00 H new ATOM 0 HA TYR A 54 12.240 -14.697 3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.858 -14.424 4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.034 -13.473 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.222 -13.144 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.386 -11.271 6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.079 -11.084 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.238 -9.213 5.421 1.00 0.00 H new ATOM 0 HH TYR A 54 7.986 -8.963 3.331 1.00 0.00 H new ATOM 874 N TYR A 55 14.401 -12.364 3.735 1.00 0.00 N ATOM 875 CA TYR A 55 15.107 -11.202 3.207 1.00 0.00 C ATOM 876 C TYR A 55 15.987 -11.591 2.024 1.00 0.00 C ATOM 877 O TYR A 55 16.033 -10.890 1.012 1.00 0.00 O ATOM 878 CB TYR A 55 15.959 -10.557 4.301 1.00 0.00 C ATOM 879 CG TYR A 55 15.210 -9.538 5.131 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.919 -8.278 4.623 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.794 -9.836 6.422 1.00 0.00 C ATOM 882 CE1 TYR A 55 14.235 -7.344 5.377 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.108 -8.909 7.183 1.00 0.00 C ATOM 884 CZ TYR A 55 13.832 -7.664 6.656 1.00 0.00 C ATOM 885 OH TYR A 55 13.150 -6.738 7.412 1.00 0.00 O ATOM 0 H TYR A 55 14.803 -12.749 4.590 1.00 0.00 H new ATOM 0 HA TYR A 55 14.364 -10.482 2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.343 -11.337 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.822 -10.075 3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 55 15.233 -8.024 3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.010 -10.809 6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.017 -6.369 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.790 -9.157 8.185 1.00 0.00 H new ATOM 0 HH TYR A 55 12.938 -7.123 8.288 1.00 0.00 H new ATOM 895 N LEU A 56 16.685 -12.713 2.158 1.00 0.00 N ATOM 896 CA LEU A 56 17.565 -13.197 1.100 1.00 0.00 C ATOM 897 C LEU A 56 16.784 -13.452 -0.185 1.00 0.00 C ATOM 898 O LEU A 56 17.283 -13.217 -1.286 1.00 0.00 O ATOM 899 CB LEU A 56 18.271 -14.480 1.544 1.00 0.00 C ATOM 900 CG LEU A 56 17.570 -15.791 1.182 1.00 0.00 C ATOM 901 CD1 LEU A 56 17.821 -16.145 -0.276 1.00 0.00 C ATOM 902 CD2 LEU A 56 18.038 -16.915 2.094 1.00 0.00 C ATOM 0 H LEU A 56 16.659 -13.305 2.988 1.00 0.00 H new ATOM 0 HA LEU A 56 18.312 -12.428 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 19.269 -14.492 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.398 -14.446 2.626 1.00 0.00 H new ATOM 0 HG LEU A 56 16.497 -15.659 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 56 17.315 -17.080 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.436 -15.350 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.892 -16.259 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 17.529 -17.840 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.114 -17.048 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.806 -16.664 3.129 1.00 0.00 H new ATOM 914 N THR A 57 15.553 -13.932 -0.038 1.00 0.00 N ATOM 915 CA THR A 57 14.701 -14.217 -1.185 1.00 0.00 C ATOM 916 C THR A 57 14.202 -12.930 -1.833 1.00 0.00 C ATOM 917 O THR A 57 14.536 -12.631 -2.979 1.00 0.00 O ATOM 918 CB THR A 57 13.490 -15.081 -0.785 1.00 0.00 C ATOM 919 OG1 THR A 57 13.932 -16.253 -0.092 1.00 0.00 O ATOM 920 CG2 THR A 57 12.685 -15.484 -2.011 1.00 0.00 C ATOM 0 H THR A 57 15.124 -14.132 0.866 1.00 0.00 H new ATOM 0 HA THR A 57 15.310 -14.768 -1.901 1.00 0.00 H new ATOM 0 HB THR A 57 12.851 -14.491 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.156 -16.796 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.835 -16.093 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.325 -14.590 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 57 13.317 -16.058 -2.689 1.00 0.00 H new ATOM 928 N ILE A 58 13.400 -12.173 -1.091 1.00 0.00 N ATOM 929 CA ILE A 58 12.856 -10.918 -1.593 1.00 0.00 C ATOM 930 C ILE A 58 13.880 -9.793 -1.485 1.00 0.00 C ATOM 931 O ILE A 58 14.346 -9.465 -0.394 1.00 0.00 O ATOM 932 CB ILE A 58 11.582 -10.511 -0.830 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.527 -11.615 -0.930 1.00 0.00 C ATOM 934 CG2 ILE A 58 11.036 -9.198 -1.372 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.054 -11.872 -2.344 1.00 0.00 C ATOM 0 H ILE A 58 13.113 -12.407 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 58 12.606 -11.080 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 58 11.835 -10.370 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.938 -12.537 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.670 -11.345 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.136 -8.924 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.786 -8.416 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.795 -9.313 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.308 -12.666 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.613 -10.962 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.900 -12.173 -2.962 1.00 0.00 H new ATOM 947 N LYS A 59 14.226 -9.204 -2.625 1.00 0.00 N ATOM 948 CA LYS A 59 15.193 -8.113 -2.660 1.00 0.00 C ATOM 949 C LYS A 59 14.531 -6.788 -2.296 1.00 0.00 C ATOM 950 O LYS A 59 15.156 -5.916 -1.690 1.00 0.00 O ATOM 951 CB LYS A 59 15.829 -8.013 -4.049 1.00 0.00 C ATOM 952 CG LYS A 59 14.828 -7.737 -5.158 1.00 0.00 C ATOM 953 CD LYS A 59 14.622 -6.246 -5.365 1.00 0.00 C ATOM 954 CE LYS A 59 15.727 -5.645 -6.221 1.00 0.00 C ATOM 955 NZ LYS A 59 15.644 -4.158 -6.269 1.00 0.00 N ATOM 0 H LYS A 59 13.851 -9.464 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 59 15.970 -8.325 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.577 -7.220 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.353 -8.943 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.178 -8.189 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.875 -8.206 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.657 -6.073 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.595 -5.743 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.697 -5.942 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.661 -6.045 -7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.414 -3.786 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.728 -3.874 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.732 -3.774 -5.306 1.00 0.00 H new ATOM 969 N LYS A 60 13.264 -6.643 -2.667 1.00 0.00 N ATOM 970 CA LYS A 60 12.516 -5.425 -2.377 1.00 0.00 C ATOM 971 C LYS A 60 11.304 -5.726 -1.501 1.00 0.00 C ATOM 972 O LYS A 60 10.164 -5.749 -1.964 1.00 0.00 O ATOM 973 CB LYS A 60 12.064 -4.757 -3.678 1.00 0.00 C ATOM 974 CG LYS A 60 11.969 -3.244 -3.584 1.00 0.00 C ATOM 975 CD LYS A 60 10.970 -2.685 -4.583 1.00 0.00 C ATOM 976 CE LYS A 60 11.359 -1.287 -5.037 1.00 0.00 C ATOM 977 NZ LYS A 60 10.193 -0.534 -5.575 1.00 0.00 N ATOM 0 H LYS A 60 12.733 -7.354 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 60 13.174 -4.745 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.762 -5.020 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.091 -5.157 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.673 -2.959 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.950 -2.805 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.910 -3.346 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.978 -2.659 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.789 -0.739 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.132 -1.356 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.500 0.414 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.798 -1.043 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.466 -0.446 -4.837 1.00 0.00 H new ATOM 991 N PRO A 61 11.554 -5.962 -0.204 1.00 0.00 N ATOM 992 CA PRO A 61 10.496 -6.264 0.764 1.00 0.00 C ATOM 993 C PRO A 61 9.613 -5.055 1.053 1.00 0.00 C ATOM 994 O PRO A 61 10.103 -3.935 1.191 1.00 0.00 O ATOM 995 CB PRO A 61 11.270 -6.674 2.019 1.00 0.00 C ATOM 996 CG PRO A 61 12.590 -5.994 1.889 1.00 0.00 C ATOM 997 CD PRO A 61 12.890 -5.951 0.416 1.00 0.00 C ATOM 0 HA PRO A 61 9.815 -7.032 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.751 -6.360 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.386 -7.756 2.077 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.554 -4.989 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.364 -6.538 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.451 -5.056 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.486 -6.808 0.102 1.00 0.00 H new ATOM 1005 N MET A 62 8.308 -5.290 1.144 1.00 0.00 N ATOM 1006 CA MET A 62 7.356 -4.220 1.419 1.00 0.00 C ATOM 1007 C MET A 62 6.228 -4.713 2.318 1.00 0.00 C ATOM 1008 O MET A 62 5.543 -5.684 1.994 1.00 0.00 O ATOM 1009 CB MET A 62 6.781 -3.672 0.111 1.00 0.00 C ATOM 1010 CG MET A 62 5.606 -2.729 0.313 1.00 0.00 C ATOM 1011 SD MET A 62 6.073 -1.208 1.162 1.00 0.00 S ATOM 1012 CE MET A 62 6.976 -0.362 -0.133 1.00 0.00 C ATOM 0 H MET A 62 7.886 -6.212 1.031 1.00 0.00 H new ATOM 0 HA MET A 62 7.885 -3.421 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.568 -3.148 -0.431 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.464 -4.506 -0.515 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.173 -2.481 -0.656 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.832 -3.238 0.887 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.992 0.708 0.074 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.998 -0.740 -0.171 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.488 -0.539 -1.092 1.00 0.00 H new ATOM 1022 N ASP A 63 6.039 -4.039 3.447 1.00 0.00 N ATOM 1023 CA ASP A 63 4.993 -4.409 4.393 1.00 0.00 C ATOM 1024 C ASP A 63 3.999 -3.266 4.578 1.00 0.00 C ATOM 1025 O ASP A 63 4.327 -2.102 4.350 1.00 0.00 O ATOM 1026 CB ASP A 63 5.606 -4.792 5.741 1.00 0.00 C ATOM 1027 CG ASP A 63 6.489 -3.697 6.307 1.00 0.00 C ATOM 1028 OD1 ASP A 63 7.678 -3.640 5.929 1.00 0.00 O ATOM 1029 OD2 ASP A 63 5.992 -2.898 7.128 1.00 0.00 O ATOM 0 H ASP A 63 6.597 -3.233 3.729 1.00 0.00 H new ATOM 0 HA ASP A 63 4.459 -5.269 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.808 -5.014 6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.192 -5.704 5.625 1.00 0.00 H new ATOM 1034 N MET A 64 2.783 -3.608 4.991 1.00 0.00 N ATOM 1035 CA MET A 64 1.741 -2.610 5.207 1.00 0.00 C ATOM 1036 C MET A 64 2.244 -1.485 6.107 1.00 0.00 C ATOM 1037 O MET A 64 2.271 -0.323 5.706 1.00 0.00 O ATOM 1038 CB MET A 64 0.503 -3.260 5.826 1.00 0.00 C ATOM 1039 CG MET A 64 -0.495 -3.768 4.798 1.00 0.00 C ATOM 1040 SD MET A 64 -1.653 -2.493 4.265 1.00 0.00 S ATOM 1041 CE MET A 64 -3.001 -2.758 5.415 1.00 0.00 C ATOM 0 H MET A 64 2.495 -4.567 5.183 1.00 0.00 H new ATOM 0 HA MET A 64 1.473 -2.185 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.817 -4.091 6.458 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.008 -2.536 6.474 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.045 -4.149 3.931 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.051 -4.605 5.220 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.660 -1.889 5.410 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.565 -3.642 5.117 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.600 -2.904 6.418 1.00 0.00 H new ATOM 1051 N GLU A 65 2.640 -1.841 7.325 1.00 0.00 N ATOM 1052 CA GLU A 65 3.140 -0.860 8.282 1.00 0.00 C ATOM 1053 C GLU A 65 4.039 0.162 7.593 1.00 0.00 C ATOM 1054 O GLU A 65 4.023 1.347 7.928 1.00 0.00 O ATOM 1055 CB GLU A 65 3.910 -1.557 9.405 1.00 0.00 C ATOM 1056 CG GLU A 65 3.066 -2.535 10.206 1.00 0.00 C ATOM 1057 CD GLU A 65 3.674 -2.862 11.556 1.00 0.00 C ATOM 1058 OE1 GLU A 65 4.776 -3.449 11.582 1.00 0.00 O ATOM 1059 OE2 GLU A 65 3.049 -2.530 12.585 1.00 0.00 O ATOM 0 H GLU A 65 2.624 -2.800 7.672 1.00 0.00 H new ATOM 0 HA GLU A 65 2.284 -0.337 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.759 -2.089 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.315 -0.802 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.071 -2.115 10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.943 -3.455 9.635 1.00 0.00 H new ATOM 1066 N LYS A 66 4.823 -0.304 6.627 1.00 0.00 N ATOM 1067 CA LYS A 66 5.730 0.568 5.889 1.00 0.00 C ATOM 1068 C LYS A 66 4.958 1.666 5.164 1.00 0.00 C ATOM 1069 O LYS A 66 5.338 2.836 5.208 1.00 0.00 O ATOM 1070 CB LYS A 66 6.546 -0.246 4.882 1.00 0.00 C ATOM 1071 CG LYS A 66 7.854 0.415 4.483 1.00 0.00 C ATOM 1072 CD LYS A 66 8.812 -0.580 3.851 1.00 0.00 C ATOM 1073 CE LYS A 66 10.217 -0.008 3.739 1.00 0.00 C ATOM 1074 NZ LYS A 66 11.219 -1.058 3.408 1.00 0.00 N ATOM 0 H LYS A 66 4.849 -1.281 6.336 1.00 0.00 H new ATOM 0 HA LYS A 66 6.408 1.035 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.759 -1.226 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.944 -0.411 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.654 1.225 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.320 0.862 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.836 -1.492 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.450 -0.856 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.234 0.765 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.490 0.471 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.163 -0.628 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.221 -1.783 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.973 -1.498 2.498 1.00 0.00 H new ATOM 1088 N ILE A 67 3.874 1.281 4.499 1.00 0.00 N ATOM 1089 CA ILE A 67 3.049 2.234 3.768 1.00 0.00 C ATOM 1090 C ILE A 67 2.388 3.230 4.715 1.00 0.00 C ATOM 1091 O ILE A 67 2.364 4.432 4.450 1.00 0.00 O ATOM 1092 CB ILE A 67 1.957 1.520 2.948 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.584 0.758 1.778 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.932 2.525 2.444 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.818 -0.487 1.389 1.00 0.00 C ATOM 0 H ILE A 67 3.547 0.316 4.452 1.00 0.00 H new ATOM 0 HA ILE A 67 3.712 2.769 3.088 1.00 0.00 H new ATOM 0 HB ILE A 67 1.448 0.804 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.647 1.421 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.605 0.480 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.167 2.006 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.468 3.028 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.426 3.262 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.319 -0.976 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.777 -1.169 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.805 -0.214 1.094 1.00 0.00 H new ATOM 1107 N ARG A 68 1.854 2.721 5.821 1.00 0.00 N ATOM 1108 CA ARG A 68 1.194 3.566 6.808 1.00 0.00 C ATOM 1109 C ARG A 68 2.178 4.557 7.421 1.00 0.00 C ATOM 1110 O ARG A 68 1.891 5.750 7.525 1.00 0.00 O ATOM 1111 CB ARG A 68 0.567 2.707 7.908 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.523 3.421 8.691 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.678 2.839 10.087 1.00 0.00 C ATOM 1114 NE ARG A 68 -1.515 3.678 10.941 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.833 3.776 10.808 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -3.461 3.090 9.863 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -3.526 4.560 11.624 1.00 0.00 N ATOM 0 H ARG A 68 1.866 1.728 6.055 1.00 0.00 H new ATOM 0 HA ARG A 68 0.408 4.127 6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.149 1.805 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.348 2.388 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.285 4.482 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.469 3.341 8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.115 1.843 10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.305 2.725 10.543 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.063 4.218 11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.932 2.485 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.473 3.168 9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.047 5.088 12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.538 4.635 11.522 1.00 0.00 H new ATOM 1131 N SER A 69 3.340 4.055 7.827 1.00 0.00 N ATOM 1132 CA SER A 69 4.366 4.895 8.434 1.00 0.00 C ATOM 1133 C SER A 69 4.593 6.158 7.609 1.00 0.00 C ATOM 1134 O SER A 69 4.315 7.269 8.063 1.00 0.00 O ATOM 1135 CB SER A 69 5.677 4.119 8.570 1.00 0.00 C ATOM 1136 OG SER A 69 6.456 4.616 9.644 1.00 0.00 O ATOM 0 H SER A 69 3.594 3.071 7.747 1.00 0.00 H new ATOM 0 HA SER A 69 4.021 5.187 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.463 3.062 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.244 4.191 7.642 1.00 0.00 H new ATOM 0 HG SER A 69 7.288 4.102 9.710 1.00 0.00 H new ATOM 1142 N HIS A 70 5.099 5.980 6.393 1.00 0.00 N ATOM 1143 CA HIS A 70 5.363 7.104 5.502 1.00 0.00 C ATOM 1144 C HIS A 70 4.121 7.976 5.344 1.00 0.00 C ATOM 1145 O HIS A 70 4.215 9.201 5.285 1.00 0.00 O ATOM 1146 CB HIS A 70 5.824 6.601 4.134 1.00 0.00 C ATOM 1147 CG HIS A 70 7.285 6.276 4.076 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.871 5.302 4.857 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.280 6.801 3.323 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.163 5.243 4.588 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.437 6.143 3.660 1.00 0.00 N ATOM 0 H HIS A 70 5.334 5.068 6.002 1.00 0.00 H new ATOM 0 HA HIS A 70 6.155 7.708 5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.252 5.711 3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.599 7.358 3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.182 7.591 2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.874 4.573 5.048 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.358 6.320 3.259 1.00 0.00 H new ATOM 1160 N MET A 71 2.959 7.335 5.277 1.00 0.00 N ATOM 1161 CA MET A 71 1.698 8.052 5.126 1.00 0.00 C ATOM 1162 C MET A 71 1.556 9.131 6.195 1.00 0.00 C ATOM 1163 O MET A 71 1.512 10.321 5.887 1.00 0.00 O ATOM 1164 CB MET A 71 0.520 7.079 5.206 1.00 0.00 C ATOM 1165 CG MET A 71 -0.690 7.523 4.401 1.00 0.00 C ATOM 1166 SD MET A 71 -2.241 6.901 5.079 1.00 0.00 S ATOM 1167 CE MET A 71 -1.706 5.339 5.771 1.00 0.00 C ATOM 0 H MET A 71 2.864 6.321 5.325 1.00 0.00 H new ATOM 0 HA MET A 71 1.696 8.532 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.843 6.100 4.851 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.228 6.960 6.249 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.722 8.612 4.371 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.584 7.179 3.372 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.578 4.748 6.052 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.122 4.794 5.030 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.092 5.523 6.653 1.00 0.00 H new ATOM 1177 N MET A 72 1.483 8.706 7.452 1.00 0.00 N ATOM 1178 CA MET A 72 1.347 9.637 8.567 1.00 0.00 C ATOM 1179 C MET A 72 2.579 10.527 8.686 1.00 0.00 C ATOM 1180 O MET A 72 2.581 11.504 9.433 1.00 0.00 O ATOM 1181 CB MET A 72 1.127 8.872 9.874 1.00 0.00 C ATOM 1182 CG MET A 72 0.190 7.683 9.732 1.00 0.00 C ATOM 1183 SD MET A 72 -1.164 7.999 8.584 1.00 0.00 S ATOM 1184 CE MET A 72 -2.339 8.813 9.662 1.00 0.00 C ATOM 0 H MET A 72 1.516 7.724 7.724 1.00 0.00 H new ATOM 0 HA MET A 72 0.481 10.271 8.375 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.090 8.523 10.248 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.724 9.555 10.622 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.757 6.817 9.390 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.220 7.429 10.710 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.234 9.072 9.096 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.608 8.143 10.479 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.892 9.720 10.069 1.00 0.00 H new ATOM 1194 N ALA A 73 3.627 10.182 7.945 1.00 0.00 N ATOM 1195 CA ALA A 73 4.865 10.951 7.966 1.00 0.00 C ATOM 1196 C ALA A 73 4.860 12.030 6.889 1.00 0.00 C ATOM 1197 O ALA A 73 5.895 12.619 6.582 1.00 0.00 O ATOM 1198 CB ALA A 73 6.062 10.029 7.786 1.00 0.00 C ATOM 0 H ALA A 73 3.643 9.374 7.322 1.00 0.00 H new ATOM 0 HA ALA A 73 4.941 11.443 8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.980 10.617 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.083 9.298 8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.981 9.511 6.831 1.00 0.00 H new ATOM 1204 N ASN A 74 3.686 12.285 6.319 1.00 0.00 N ATOM 1205 CA ASN A 74 3.547 13.294 5.275 1.00 0.00 C ATOM 1206 C ASN A 74 4.722 13.237 4.304 1.00 0.00 C ATOM 1207 O ASN A 74 5.146 14.260 3.764 1.00 0.00 O ATOM 1208 CB ASN A 74 3.449 14.689 5.895 1.00 0.00 C ATOM 1209 CG ASN A 74 2.834 15.701 4.947 1.00 0.00 C ATOM 1210 OD1 ASN A 74 2.807 15.495 3.734 1.00 0.00 O ATOM 1211 ND2 ASN A 74 2.336 16.801 5.499 1.00 0.00 N ATOM 0 H ASN A 74 2.818 11.807 6.562 1.00 0.00 H new ATOM 0 HA ASN A 74 2.631 13.085 4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.852 14.638 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.444 15.025 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.909 17.518 4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.380 16.929 6.510 1.00 0.00 H new ATOM 1218 N LYS A 75 5.245 12.035 4.085 1.00 0.00 N ATOM 1219 CA LYS A 75 6.370 11.843 3.178 1.00 0.00 C ATOM 1220 C LYS A 75 5.888 11.690 1.739 1.00 0.00 C ATOM 1221 O LYS A 75 6.426 12.314 0.824 1.00 0.00 O ATOM 1222 CB LYS A 75 7.179 10.612 3.590 1.00 0.00 C ATOM 1223 CG LYS A 75 8.154 10.876 4.725 1.00 0.00 C ATOM 1224 CD LYS A 75 8.815 9.594 5.202 1.00 0.00 C ATOM 1225 CE LYS A 75 9.773 9.857 6.353 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.064 8.618 7.127 1.00 0.00 N ATOM 0 H LYS A 75 4.907 11.179 4.524 1.00 0.00 H new ATOM 0 HA LYS A 75 7.007 12.725 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.492 9.820 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.732 10.245 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.918 11.579 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.628 11.346 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.050 8.885 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.355 9.132 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.704 10.269 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.345 10.608 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.721 8.839 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.179 8.238 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.496 7.910 6.499 1.00 0.00 H new ATOM 1240 N TYR A 76 4.871 10.857 1.546 1.00 0.00 N ATOM 1241 CA TYR A 76 4.318 10.621 0.217 1.00 0.00 C ATOM 1242 C TYR A 76 3.827 11.924 -0.407 1.00 0.00 C ATOM 1243 O TYR A 76 3.869 12.980 0.222 1.00 0.00 O ATOM 1244 CB TYR A 76 3.169 9.614 0.292 1.00 0.00 C ATOM 1245 CG TYR A 76 3.621 8.201 0.582 1.00 0.00 C ATOM 1246 CD1 TYR A 76 4.549 7.566 -0.235 1.00 0.00 C ATOM 1247 CD2 TYR A 76 3.121 7.500 1.673 1.00 0.00 C ATOM 1248 CE1 TYR A 76 4.964 6.274 0.026 1.00 0.00 C ATOM 1249 CE2 TYR A 76 3.532 6.209 1.942 1.00 0.00 C ATOM 1250 CZ TYR A 76 4.453 5.600 1.116 1.00 0.00 C ATOM 1251 OH TYR A 76 4.864 4.314 1.380 1.00 0.00 O ATOM 0 H TYR A 76 4.413 10.334 2.292 1.00 0.00 H new ATOM 0 HA TYR A 76 5.110 10.213 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.470 9.929 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.624 9.626 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.953 8.091 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.399 7.973 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.685 5.794 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.134 5.679 2.795 1.00 0.00 H new ATOM 0 HH TYR A 76 5.419 4.307 2.188 1.00 0.00 H new ATOM 1261 N GLN A 77 3.363 11.838 -1.650 1.00 0.00 N ATOM 1262 CA GLN A 77 2.864 13.010 -2.360 1.00 0.00 C ATOM 1263 C GLN A 77 1.351 12.935 -2.539 1.00 0.00 C ATOM 1264 O GLN A 77 0.603 13.673 -1.898 1.00 0.00 O ATOM 1265 CB GLN A 77 3.545 13.133 -3.725 1.00 0.00 C ATOM 1266 CG GLN A 77 4.965 13.670 -3.649 1.00 0.00 C ATOM 1267 CD GLN A 77 5.901 12.742 -2.901 1.00 0.00 C ATOM 1268 OE1 GLN A 77 6.000 11.556 -3.215 1.00 0.00 O ATOM 1269 NE2 GLN A 77 6.595 13.279 -1.904 1.00 0.00 N ATOM 0 H GLN A 77 3.322 10.971 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 77 3.098 13.892 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.561 12.154 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.951 13.789 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.345 13.826 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.955 14.643 -3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.482 14.267 -1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.241 12.703 -1.364 1.00 0.00 H new ATOM 1278 N ASP A 78 0.908 12.039 -3.414 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.517 11.867 -3.677 1.00 0.00 C ATOM 1280 C ASP A 78 -0.926 10.407 -3.515 1.00 0.00 C ATOM 1281 O ASP A 78 -0.089 9.542 -3.253 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.859 12.353 -5.086 1.00 0.00 C ATOM 1283 CG ASP A 78 0.292 12.175 -6.056 1.00 0.00 C ATOM 1284 OD1 ASP A 78 0.427 11.068 -6.618 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.058 13.141 -6.253 1.00 0.00 O ATOM 0 H ASP A 78 1.514 11.421 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.071 12.463 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.728 11.808 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.137 13.406 -5.046 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.218 10.139 -3.673 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.738 8.783 -3.545 1.00 0.00 C ATOM 1292 C ILE A 79 -1.888 7.792 -4.332 1.00 0.00 C ATOM 1293 O ILE A 79 -1.395 6.807 -3.782 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.196 8.691 -4.031 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.081 9.661 -3.245 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.712 7.266 -3.895 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.171 9.337 -1.771 1.00 0.00 C ATOM 0 H ILE A 79 -2.924 10.843 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.700 8.529 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.230 8.969 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.692 10.672 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.084 9.653 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.744 7.218 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.095 6.597 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.667 6.961 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.814 10.065 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.588 8.338 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.175 9.373 -1.329 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.719 8.059 -5.622 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.926 7.192 -6.486 1.00 0.00 C ATOM 1311 C ASP A 80 0.312 6.683 -5.754 1.00 0.00 C ATOM 1312 O ASP A 80 0.677 5.513 -5.871 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.512 7.940 -7.754 1.00 0.00 C ATOM 1314 CG ASP A 80 -1.696 8.552 -8.478 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -2.616 9.049 -7.795 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.701 8.534 -9.726 1.00 0.00 O ATOM 0 H ASP A 80 -2.121 8.870 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.541 6.336 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.197 8.726 -7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.005 7.254 -8.425 1.00 0.00 H new ATOM 1321 N SER A 81 0.955 7.569 -5.001 1.00 0.00 N ATOM 1322 CA SER A 81 2.155 7.211 -4.254 1.00 0.00 C ATOM 1323 C SER A 81 1.894 6.011 -3.349 1.00 0.00 C ATOM 1324 O SER A 81 2.714 5.098 -3.258 1.00 0.00 O ATOM 1325 CB SER A 81 2.636 8.399 -3.419 1.00 0.00 C ATOM 1326 OG SER A 81 4.021 8.297 -3.137 1.00 0.00 O ATOM 0 H SER A 81 0.665 8.541 -4.892 1.00 0.00 H new ATOM 0 HA SER A 81 2.931 6.942 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.438 9.328 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.074 8.443 -2.486 1.00 0.00 H new ATOM 0 HG SER A 81 4.156 7.703 -2.370 1.00 0.00 H new ATOM 1332 N MET A 82 0.745 6.021 -2.681 1.00 0.00 N ATOM 1333 CA MET A 82 0.373 4.934 -1.783 1.00 0.00 C ATOM 1334 C MET A 82 -0.019 3.688 -2.571 1.00 0.00 C ATOM 1335 O MET A 82 0.262 2.564 -2.155 1.00 0.00 O ATOM 1336 CB MET A 82 -0.783 5.364 -0.878 1.00 0.00 C ATOM 1337 CG MET A 82 -0.893 4.543 0.397 1.00 0.00 C ATOM 1338 SD MET A 82 -2.071 5.240 1.571 1.00 0.00 S ATOM 1339 CE MET A 82 -3.624 4.761 0.818 1.00 0.00 C ATOM 0 H MET A 82 0.055 6.770 -2.745 1.00 0.00 H new ATOM 0 HA MET A 82 1.238 4.694 -1.165 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.657 6.414 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.718 5.285 -1.433 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.195 3.526 0.145 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.088 4.477 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.297 5.618 0.796 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.444 4.415 -0.200 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.078 3.958 1.399 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.670 3.895 -3.712 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.100 2.789 -4.558 1.00 0.00 C ATOM 1351 C VAL A 83 0.096 2.027 -5.117 1.00 0.00 C ATOM 1352 O VAL A 83 0.240 0.826 -4.891 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.972 3.283 -5.728 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.467 2.109 -6.558 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.139 4.110 -5.210 1.00 0.00 C ATOM 0 H VAL A 83 -0.911 4.819 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.691 2.122 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.362 3.919 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.081 2.478 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.614 1.562 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.061 1.445 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.744 4.451 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.751 3.500 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.759 4.973 -4.663 1.00 0.00 H new ATOM 1365 N GLU A 84 0.953 2.735 -5.848 1.00 0.00 N ATOM 1366 CA GLU A 84 2.137 2.124 -6.439 1.00 0.00 C ATOM 1367 C GLU A 84 2.792 1.150 -5.464 1.00 0.00 C ATOM 1368 O GLU A 84 3.450 0.193 -5.873 1.00 0.00 O ATOM 1369 CB GLU A 84 3.142 3.202 -6.852 1.00 0.00 C ATOM 1370 CG GLU A 84 3.543 4.128 -5.716 1.00 0.00 C ATOM 1371 CD GLU A 84 4.774 4.951 -6.041 1.00 0.00 C ATOM 1372 OE1 GLU A 84 4.624 6.015 -6.678 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.887 4.532 -5.660 1.00 0.00 O ATOM 0 H GLU A 84 0.849 3.731 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 84 1.824 1.570 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.035 2.721 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.714 3.796 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.713 4.797 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.732 3.537 -4.820 1.00 0.00 H new ATOM 1380 N ASP A 85 2.608 1.402 -4.173 1.00 0.00 N ATOM 1381 CA ASP A 85 3.180 0.548 -3.138 1.00 0.00 C ATOM 1382 C ASP A 85 2.319 -0.692 -2.920 1.00 0.00 C ATOM 1383 O ASP A 85 2.812 -1.819 -2.967 1.00 0.00 O ATOM 1384 CB ASP A 85 3.320 1.323 -1.827 1.00 0.00 C ATOM 1385 CG ASP A 85 4.023 0.519 -0.751 1.00 0.00 C ATOM 1386 OD1 ASP A 85 3.870 -0.721 -0.742 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.726 1.129 0.081 1.00 0.00 O ATOM 0 H ASP A 85 2.067 2.191 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 85 4.168 0.229 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.875 2.243 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.331 1.613 -1.472 1.00 0.00 H new ATOM 1392 N PHE A 86 1.030 -0.477 -2.681 1.00 0.00 N ATOM 1393 CA PHE A 86 0.100 -1.577 -2.453 1.00 0.00 C ATOM 1394 C PHE A 86 0.188 -2.605 -3.578 1.00 0.00 C ATOM 1395 O PHE A 86 -0.013 -3.800 -3.360 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.331 -1.049 -2.341 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.733 -0.701 -0.936 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.197 -1.680 -0.071 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.647 0.604 -0.479 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.568 -1.363 1.222 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.015 0.926 0.813 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.477 -0.058 1.665 1.00 0.00 C ATOM 0 H PHE A 86 0.605 0.449 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 86 0.374 -2.063 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.434 -0.164 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.018 -1.799 -2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.269 -2.702 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.288 1.379 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.929 -2.135 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.941 1.947 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.766 0.192 2.675 1.00 0.00 H new ATOM 1412 N VAL A 87 0.489 -2.130 -4.783 1.00 0.00 N ATOM 1413 CA VAL A 87 0.604 -3.006 -5.942 1.00 0.00 C ATOM 1414 C VAL A 87 1.845 -3.887 -5.845 1.00 0.00 C ATOM 1415 O VAL A 87 1.748 -5.114 -5.843 1.00 0.00 O ATOM 1416 CB VAL A 87 0.664 -2.198 -7.252 1.00 0.00 C ATOM 1417 CG1 VAL A 87 0.819 -3.127 -8.447 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.577 -1.330 -7.399 1.00 0.00 C ATOM 0 H VAL A 87 0.657 -1.144 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.286 -3.636 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 87 1.535 -1.544 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.859 -2.538 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.740 -3.702 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.031 -3.808 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.518 -0.766 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.464 -1.963 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.639 -0.638 -6.559 1.00 0.00 H new ATOM 1428 N MET A 88 3.009 -3.253 -5.763 1.00 0.00 N ATOM 1429 CA MET A 88 4.270 -3.980 -5.663 1.00 0.00 C ATOM 1430 C MET A 88 4.332 -4.784 -4.369 1.00 0.00 C ATOM 1431 O MET A 88 5.187 -5.655 -4.209 1.00 0.00 O ATOM 1432 CB MET A 88 5.450 -3.008 -5.731 1.00 0.00 C ATOM 1433 CG MET A 88 5.464 -1.989 -4.604 1.00 0.00 C ATOM 1434 SD MET A 88 6.133 -2.659 -3.070 1.00 0.00 S ATOM 1435 CE MET A 88 7.842 -2.136 -3.189 1.00 0.00 C ATOM 0 H MET A 88 3.106 -2.238 -5.764 1.00 0.00 H new ATOM 0 HA MET A 88 4.330 -4.672 -6.503 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.380 -3.576 -5.707 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.422 -2.482 -6.685 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.056 -1.126 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.449 -1.633 -4.428 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.462 -2.772 -2.557 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.176 -2.217 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.930 -1.101 -2.859 1.00 0.00 H new ATOM 1445 N MET A 89 3.422 -4.486 -3.447 1.00 0.00 N ATOM 1446 CA MET A 89 3.374 -5.183 -2.167 1.00 0.00 C ATOM 1447 C MET A 89 2.713 -6.549 -2.317 1.00 0.00 C ATOM 1448 O MET A 89 3.100 -7.513 -1.655 1.00 0.00 O ATOM 1449 CB MET A 89 2.616 -4.346 -1.135 1.00 0.00 C ATOM 1450 CG MET A 89 2.326 -5.093 0.157 1.00 0.00 C ATOM 1451 SD MET A 89 1.167 -4.213 1.222 1.00 0.00 S ATOM 1452 CE MET A 89 -0.330 -5.157 0.947 1.00 0.00 C ATOM 0 H MET A 89 2.708 -3.767 -3.563 1.00 0.00 H new ATOM 0 HA MET A 89 4.398 -5.331 -1.823 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.197 -3.453 -0.906 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.675 -4.011 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.921 -6.077 -0.080 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.259 -5.254 0.697 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.186 -4.483 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.257 -5.687 -0.003 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.460 -5.877 1.755 1.00 0.00 H new ATOM 1462 N PHE A 90 1.714 -6.626 -3.189 1.00 0.00 N ATOM 1463 CA PHE A 90 0.998 -7.874 -3.424 1.00 0.00 C ATOM 1464 C PHE A 90 1.857 -8.853 -4.219 1.00 0.00 C ATOM 1465 O PHE A 90 1.966 -10.027 -3.867 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.310 -7.604 -4.171 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.319 -6.844 -3.358 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.682 -7.282 -2.095 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.902 -5.690 -3.856 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.610 -6.584 -1.345 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.831 -4.988 -3.111 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.184 -5.435 -1.853 1.00 0.00 C ATOM 0 H PHE A 90 1.382 -5.838 -3.745 1.00 0.00 H new ATOM 0 HA PHE A 90 0.770 -8.320 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.091 -7.043 -5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.746 -8.554 -4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.235 -8.179 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.627 -5.335 -4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.886 -6.937 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.280 -4.091 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.908 -4.887 -1.267 1.00 0.00 H new ATOM 1482 N ASN A 91 2.465 -8.360 -5.293 1.00 0.00 N ATOM 1483 CA ASN A 91 3.314 -9.191 -6.139 1.00 0.00 C ATOM 1484 C ASN A 91 4.270 -10.029 -5.295 1.00 0.00 C ATOM 1485 O ASN A 91 4.540 -11.187 -5.611 1.00 0.00 O ATOM 1486 CB ASN A 91 4.108 -8.318 -7.114 1.00 0.00 C ATOM 1487 CG ASN A 91 3.362 -8.076 -8.412 1.00 0.00 C ATOM 1488 OD1 ASN A 91 3.781 -8.532 -9.476 1.00 0.00 O ATOM 1489 ND2 ASN A 91 2.251 -7.353 -8.329 1.00 0.00 N ATOM 0 H ASN A 91 2.386 -7.390 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 91 2.671 -9.865 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.331 -7.361 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.063 -8.796 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.707 -7.155 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.942 -6.995 -7.425 1.00 0.00 H new ATOM 1496 N ASN A 92 4.778 -9.434 -4.221 1.00 0.00 N ATOM 1497 CA ASN A 92 5.704 -10.126 -3.331 1.00 0.00 C ATOM 1498 C ASN A 92 5.185 -11.517 -2.981 1.00 0.00 C ATOM 1499 O ASN A 92 5.918 -12.502 -3.060 1.00 0.00 O ATOM 1500 CB ASN A 92 5.918 -9.313 -2.052 1.00 0.00 C ATOM 1501 CG ASN A 92 6.780 -10.043 -1.041 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.994 -11.251 -1.147 1.00 0.00 O ATOM 1503 ND2 ASN A 92 7.280 -9.311 -0.052 1.00 0.00 N ATOM 0 H ASN A 92 4.565 -8.475 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 92 6.657 -10.233 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.385 -8.361 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.951 -9.085 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.867 -9.747 0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.077 -8.313 -0.003 1.00 0.00 H new ATOM 1510 N ALA A 93 3.915 -11.590 -2.594 1.00 0.00 N ATOM 1511 CA ALA A 93 3.297 -12.860 -2.235 1.00 0.00 C ATOM 1512 C ALA A 93 3.322 -13.834 -3.409 1.00 0.00 C ATOM 1513 O ALA A 93 3.676 -15.003 -3.250 1.00 0.00 O ATOM 1514 CB ALA A 93 1.869 -12.637 -1.763 1.00 0.00 C ATOM 0 H ALA A 93 3.294 -10.784 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 93 3.873 -13.299 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.420 -13.594 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.872 -11.984 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.290 -12.173 -2.562 1.00 0.00 H new ATOM 1520 N CYS A 94 2.944 -13.346 -4.585 1.00 0.00 N ATOM 1521 CA CYS A 94 2.922 -14.174 -5.785 1.00 0.00 C ATOM 1522 C CYS A 94 4.259 -14.880 -5.983 1.00 0.00 C ATOM 1523 O CYS A 94 4.306 -16.054 -6.353 1.00 0.00 O ATOM 1524 CB CYS A 94 2.595 -13.322 -7.012 1.00 0.00 C ATOM 1525 SG CYS A 94 2.693 -14.217 -8.580 1.00 0.00 S ATOM 0 H CYS A 94 2.649 -12.381 -4.733 1.00 0.00 H new ATOM 0 HA CYS A 94 2.147 -14.930 -5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.590 -12.915 -6.901 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.280 -12.475 -7.046 1.00 0.00 H new ATOM 0 HG CYS A 94 2.398 -13.413 -9.558 1.00 0.00 H new ATOM 1531 N THR A 95 5.347 -14.157 -5.736 1.00 0.00 N ATOM 1532 CA THR A 95 6.686 -14.713 -5.889 1.00 0.00 C ATOM 1533 C THR A 95 7.024 -15.657 -4.742 1.00 0.00 C ATOM 1534 O THR A 95 7.285 -16.841 -4.956 1.00 0.00 O ATOM 1535 CB THR A 95 7.751 -13.602 -5.956 1.00 0.00 C ATOM 1536 OG1 THR A 95 7.681 -12.785 -4.782 1.00 0.00 O ATOM 1537 CG2 THR A 95 7.555 -12.738 -7.193 1.00 0.00 C ATOM 0 H THR A 95 5.327 -13.185 -5.429 1.00 0.00 H new ATOM 0 HA THR A 95 6.692 -15.269 -6.827 1.00 0.00 H new ATOM 0 HB THR A 95 8.732 -14.073 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.743 -12.650 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.319 -11.961 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.638 -13.357 -8.086 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.568 -12.276 -7.162 1.00 0.00 H new ATOM 1545 N TYR A 96 7.017 -15.127 -3.524 1.00 0.00 N ATOM 1546 CA TYR A 96 7.325 -15.923 -2.342 1.00 0.00 C ATOM 1547 C TYR A 96 6.472 -17.188 -2.300 1.00 0.00 C ATOM 1548 O TYR A 96 6.995 -18.302 -2.300 1.00 0.00 O ATOM 1549 CB TYR A 96 7.098 -15.100 -1.073 1.00 0.00 C ATOM 1550 CG TYR A 96 7.835 -15.633 0.135 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.199 -15.421 0.292 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.166 -16.350 1.120 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.875 -15.907 1.393 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.834 -16.839 2.226 1.00 0.00 C ATOM 1555 CZ TYR A 96 9.189 -16.615 2.358 1.00 0.00 C ATOM 1556 OH TYR A 96 9.859 -17.100 3.457 1.00 0.00 O ATOM 0 H TYR A 96 6.801 -14.149 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 96 8.374 -16.215 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.412 -14.072 -1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.031 -15.073 -0.854 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.740 -14.866 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.106 -16.528 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.936 -15.734 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.299 -17.393 2.983 1.00 0.00 H new ATOM 0 HH TYR A 96 9.230 -17.574 4.040 1.00 0.00 H new ATOM 1566 N ASN A 97 5.156 -17.006 -2.265 1.00 0.00 N ATOM 1567 CA ASN A 97 4.230 -18.131 -2.222 1.00 0.00 C ATOM 1568 C ASN A 97 3.827 -18.557 -3.631 1.00 0.00 C ATOM 1569 O ASN A 97 4.015 -17.813 -4.592 1.00 0.00 O ATOM 1570 CB ASN A 97 2.985 -17.763 -1.413 1.00 0.00 C ATOM 1571 CG ASN A 97 3.157 -18.038 0.069 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.475 -19.157 0.471 1.00 0.00 O ATOM 1573 ND2 ASN A 97 2.945 -17.014 0.888 1.00 0.00 N ATOM 0 H ASN A 97 4.707 -16.090 -2.266 1.00 0.00 H new ATOM 0 HA ASN A 97 4.735 -18.967 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.758 -16.707 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.131 -18.327 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.044 -17.138 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.683 -16.104 0.509 1.00 0.00 H new ATOM 1580 N GLU A 98 3.271 -19.759 -3.743 1.00 0.00 N ATOM 1581 CA GLU A 98 2.841 -20.284 -5.034 1.00 0.00 C ATOM 1582 C GLU A 98 1.759 -19.400 -5.648 1.00 0.00 C ATOM 1583 O GLU A 98 0.999 -18.730 -4.949 1.00 0.00 O ATOM 1584 CB GLU A 98 2.320 -21.714 -4.881 1.00 0.00 C ATOM 1585 CG GLU A 98 3.374 -22.698 -4.401 1.00 0.00 C ATOM 1586 CD GLU A 98 2.774 -23.999 -3.903 1.00 0.00 C ATOM 1587 OE1 GLU A 98 1.886 -24.545 -4.591 1.00 0.00 O ATOM 1588 OE2 GLU A 98 3.194 -24.471 -2.826 1.00 0.00 O ATOM 0 H GLU A 98 3.108 -20.387 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 98 3.704 -20.289 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.487 -21.715 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.928 -22.053 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.066 -22.910 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.955 -22.240 -3.600 1.00 0.00 H new ATOM 1595 N PRO A 99 1.688 -19.397 -6.988 1.00 0.00 N ATOM 1596 CA PRO A 99 0.704 -18.600 -7.726 1.00 0.00 C ATOM 1597 C PRO A 99 -0.716 -19.128 -7.554 1.00 0.00 C ATOM 1598 O PRO A 99 -1.678 -18.502 -7.997 1.00 0.00 O ATOM 1599 CB PRO A 99 1.154 -18.741 -9.182 1.00 0.00 C ATOM 1600 CG PRO A 99 1.898 -20.031 -9.226 1.00 0.00 C ATOM 1601 CD PRO A 99 2.563 -20.171 -7.884 1.00 0.00 C ATOM 0 HA PRO A 99 0.668 -17.569 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.301 -18.753 -9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.789 -17.907 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.222 -20.865 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.635 -20.029 -10.029 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.631 -21.214 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.578 -19.775 -7.895 1.00 0.00 H new ATOM 1609 N GLU A 100 -0.839 -20.283 -6.908 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.143 -20.895 -6.678 1.00 0.00 C ATOM 1611 C GLU A 100 -2.312 -21.281 -5.212 1.00 0.00 C ATOM 1612 O GLU A 100 -2.276 -22.460 -4.861 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.315 -22.129 -7.565 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.628 -21.799 -9.015 1.00 0.00 C ATOM 1615 CD GLU A 100 -3.354 -22.924 -9.727 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -2.695 -23.925 -10.079 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -4.580 -22.804 -9.931 1.00 0.00 O ATOM 0 H GLU A 100 -0.052 -20.814 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.909 -20.163 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.403 -22.724 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.117 -22.747 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.238 -20.896 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.699 -21.580 -9.542 1.00 0.00 H new ATOM 1624 N SER A 101 -2.496 -20.278 -4.359 1.00 0.00 N ATOM 1625 CA SER A 101 -2.666 -20.511 -2.930 1.00 0.00 C ATOM 1626 C SER A 101 -3.786 -19.641 -2.367 1.00 0.00 C ATOM 1627 O SER A 101 -4.407 -18.863 -3.092 1.00 0.00 O ATOM 1628 CB SER A 101 -1.360 -20.226 -2.186 1.00 0.00 C ATOM 1629 OG SER A 101 -0.343 -21.132 -2.575 1.00 0.00 O ATOM 0 H SER A 101 -2.531 -19.296 -4.633 1.00 0.00 H new ATOM 0 HA SER A 101 -2.936 -21.557 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.038 -19.204 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.526 -20.301 -1.111 1.00 0.00 H new ATOM 0 HG SER A 101 0.482 -20.928 -2.086 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.038 -19.778 -1.070 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.083 -19.004 -0.408 1.00 0.00 C ATOM 1637 C LEU A 102 -4.677 -17.539 -0.279 1.00 0.00 C ATOM 1638 O LEU A 102 -5.529 -16.651 -0.244 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.377 -19.587 0.976 1.00 0.00 C ATOM 1640 CG LEU A 102 -4.403 -19.198 2.089 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -4.826 -17.886 2.732 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -4.317 -20.302 3.132 1.00 0.00 C ATOM 0 H LEU A 102 -3.534 -20.417 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.984 -19.060 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.379 -19.278 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.390 -20.674 0.895 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.414 -19.063 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.122 -17.624 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.836 -17.098 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.824 -17.994 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.619 -20.008 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.302 -20.469 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.967 -21.221 2.661 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.373 -17.296 -0.212 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.855 -15.938 -0.091 1.00 0.00 C ATOM 1656 C ILE A 103 -2.790 -15.252 -1.451 1.00 0.00 C ATOM 1657 O ILE A 103 -2.988 -14.041 -1.557 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.453 -15.925 0.547 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.053 -14.497 0.922 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.434 -16.534 -0.404 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.288 -14.408 1.615 1.00 0.00 C ATOM 0 H ILE A 103 -2.656 -18.021 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.544 -15.393 0.555 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.477 -16.526 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.028 -13.886 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.818 -14.073 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.552 -16.518 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.714 -17.564 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.409 -15.957 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.507 -13.367 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.261 -14.991 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.064 -14.802 0.958 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.512 -16.033 -2.489 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.419 -15.500 -3.843 1.00 0.00 C ATOM 1675 C TYR A 104 -3.671 -14.706 -4.203 1.00 0.00 C ATOM 1676 O TYR A 104 -3.635 -13.480 -4.306 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.216 -16.636 -4.847 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.118 -16.166 -6.281 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.260 -15.960 -7.045 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -0.883 -15.928 -6.872 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.175 -15.531 -8.355 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -0.789 -15.498 -8.181 1.00 0.00 C ATOM 1683 CZ TYR A 104 -1.937 -15.302 -8.919 1.00 0.00 C ATOM 1684 OH TYR A 104 -1.849 -14.873 -10.224 1.00 0.00 O ATOM 0 H TYR A 104 -2.347 -17.037 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.561 -14.829 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.307 -17.180 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.044 -17.339 -4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.231 -16.138 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.019 -16.082 -6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.073 -15.376 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.179 -15.316 -8.624 1.00 0.00 H new ATOM 0 HH TYR A 104 -0.907 -14.758 -10.468 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.779 -15.414 -4.392 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.045 -14.778 -4.738 1.00 0.00 C ATOM 1696 C LYS A 105 -6.298 -13.557 -3.860 1.00 0.00 C ATOM 1697 O LYS A 105 -6.527 -12.456 -4.363 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.197 -15.774 -4.588 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.303 -16.378 -3.199 1.00 0.00 C ATOM 1700 CD LYS A 105 -7.961 -17.748 -3.235 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.475 -17.641 -3.149 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.925 -17.199 -1.800 1.00 0.00 N ATOM 0 H LYS A 105 -4.826 -16.430 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.987 -14.452 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.134 -15.272 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.069 -16.576 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.308 -16.463 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.879 -15.713 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.683 -18.262 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.590 -18.353 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.832 -16.936 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.921 -18.608 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.924 -17.456 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.347 -17.664 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.819 -16.168 -1.719 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.253 -13.757 -2.548 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.475 -12.671 -1.600 1.00 0.00 C ATOM 1718 C ASP A 106 -5.805 -11.387 -2.079 1.00 0.00 C ATOM 1719 O ASP A 106 -6.428 -10.327 -2.117 1.00 0.00 O ATOM 1720 CB ASP A 106 -5.943 -13.055 -0.219 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.800 -14.106 0.460 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -7.804 -14.535 -0.146 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.465 -14.500 1.597 1.00 0.00 O ATOM 0 H ASP A 106 -6.065 -14.662 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.548 -12.495 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.924 -13.429 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.897 -12.166 0.410 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.530 -11.491 -2.442 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.775 -10.339 -2.918 1.00 0.00 C ATOM 1730 C ALA A 107 -4.462 -9.690 -4.115 1.00 0.00 C ATOM 1731 O ALA A 107 -4.493 -8.464 -4.237 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.357 -10.751 -3.281 1.00 0.00 C ATOM 0 H ALA A 107 -3.999 -12.361 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.733 -9.605 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.805 -9.881 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.861 -11.162 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.387 -11.506 -4.067 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.012 -10.517 -4.997 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.698 -10.023 -6.185 1.00 0.00 C ATOM 1740 C LEU A 108 -7.018 -9.355 -5.814 1.00 0.00 C ATOM 1741 O LEU A 108 -7.299 -8.234 -6.236 1.00 0.00 O ATOM 1742 CB LEU A 108 -5.952 -11.170 -7.165 1.00 0.00 C ATOM 1743 CG LEU A 108 -4.821 -11.477 -8.147 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -3.763 -12.347 -7.487 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -5.367 -12.153 -9.396 1.00 0.00 C ATOM 0 H LEU A 108 -4.996 -11.533 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.058 -9.281 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.162 -12.072 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.851 -10.940 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.356 -10.536 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.966 -12.555 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.350 -11.825 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.214 -13.285 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.548 -12.364 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.858 -13.086 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.087 -11.494 -9.881 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.825 -10.051 -5.018 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.114 -9.525 -4.586 1.00 0.00 C ATOM 1759 C VAL A 109 -8.969 -8.120 -4.013 1.00 0.00 C ATOM 1760 O VAL A 109 -9.804 -7.248 -4.258 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.766 -10.435 -3.529 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.129 -9.894 -3.126 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -9.881 -11.859 -4.050 1.00 0.00 C ATOM 0 H VAL A 109 -7.608 -10.981 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.754 -9.490 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.131 -10.447 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.574 -10.550 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.014 -8.894 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.776 -9.850 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.344 -12.488 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.494 -11.868 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.888 -12.243 -4.283 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.904 -7.906 -3.247 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.649 -6.606 -2.638 1.00 0.00 C ATOM 1775 C LEU A 110 -7.419 -5.540 -3.705 1.00 0.00 C ATOM 1776 O LEU A 110 -8.041 -4.478 -3.680 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.435 -6.685 -1.710 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.682 -7.301 -0.333 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.380 -7.405 0.447 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.705 -6.482 0.442 1.00 0.00 C ATOM 0 H LEU A 110 -7.204 -8.616 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.527 -6.327 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.658 -7.263 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.043 -5.677 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.080 -8.306 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.576 -7.846 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.677 -8.033 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.953 -6.411 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.869 -6.935 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.335 -5.465 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.645 -6.459 -0.109 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.523 -5.832 -4.642 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.213 -4.900 -5.720 1.00 0.00 C ATOM 1794 C HIS A 111 -7.459 -4.131 -6.149 1.00 0.00 C ATOM 1795 O HIS A 111 -7.447 -2.903 -6.231 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.624 -5.648 -6.916 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.861 -4.767 -7.858 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.067 -5.259 -8.872 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.777 -3.418 -7.936 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.525 -4.251 -9.532 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.941 -3.123 -8.984 1.00 0.00 N ATOM 0 H HIS A 111 -5.999 -6.706 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.477 -4.186 -5.349 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.963 -6.435 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.431 -6.136 -7.462 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.275 -2.707 -7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.856 -4.335 -10.376 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.683 -2.185 -9.290 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.534 -4.863 -6.423 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.789 -4.251 -6.843 1.00 0.00 C ATOM 1812 C LYS A 112 -10.319 -3.305 -5.771 1.00 0.00 C ATOM 1813 O LYS A 112 -10.597 -2.137 -6.042 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.830 -5.332 -7.145 1.00 0.00 C ATOM 1815 CG LYS A 112 -12.051 -4.810 -7.884 1.00 0.00 C ATOM 1816 CD LYS A 112 -12.758 -5.920 -8.644 1.00 0.00 C ATOM 1817 CE LYS A 112 -13.916 -5.379 -9.469 1.00 0.00 C ATOM 1818 NZ LYS A 112 -14.720 -6.474 -10.080 1.00 0.00 N ATOM 0 H LYS A 112 -8.561 -5.881 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.599 -3.675 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.364 -6.118 -7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.150 -5.789 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.742 -4.357 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.750 -4.026 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.047 -6.424 -9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.128 -6.666 -7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.558 -4.767 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.530 -4.730 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -15.499 -6.065 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -14.113 -7.044 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -15.109 -7.079 -9.329 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.456 -3.817 -4.552 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.950 -3.017 -3.438 1.00 0.00 C ATOM 1834 C VAL A 113 -10.259 -1.659 -3.387 1.00 0.00 C ATOM 1835 O VAL A 113 -10.913 -0.616 -3.386 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.742 -3.737 -2.093 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.243 -2.877 -0.942 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.438 -5.090 -2.100 1.00 0.00 C ATOM 0 H VAL A 113 -10.232 -4.782 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.018 -2.872 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.674 -3.903 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.087 -3.403 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.695 -1.935 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.306 -2.676 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.281 -5.585 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.506 -4.949 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.026 -5.707 -2.899 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.931 -1.679 -3.344 1.00 0.00 N ATOM 1849 CA LEU A 114 -8.148 -0.449 -3.294 1.00 0.00 C ATOM 1850 C LEU A 114 -8.588 0.521 -4.386 1.00 0.00 C ATOM 1851 O LEU A 114 -8.549 1.739 -4.202 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.659 -0.763 -3.443 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.745 0.433 -3.714 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.564 1.263 -2.452 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.397 -0.034 -4.244 1.00 0.00 C ATOM 0 H LEU A 114 -8.374 -2.534 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.318 0.022 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.319 -1.256 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.539 -1.479 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 114 -6.214 1.059 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.911 2.110 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.534 1.629 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.117 0.646 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.760 0.831 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.922 -0.682 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.542 -0.585 -5.173 1.00 0.00 H new ATOM 1867 N LEU A 115 -9.007 -0.025 -5.522 1.00 0.00 N ATOM 1868 CA LEU A 115 -9.457 0.791 -6.644 1.00 0.00 C ATOM 1869 C LEU A 115 -10.920 1.189 -6.476 1.00 0.00 C ATOM 1870 O LEU A 115 -11.348 2.233 -6.966 1.00 0.00 O ATOM 1871 CB LEU A 115 -9.270 0.033 -7.959 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.844 -0.417 -8.277 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.855 -1.533 -9.311 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -7.010 0.757 -8.768 1.00 0.00 C ATOM 0 H LEU A 115 -9.045 -1.030 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.853 1.698 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.912 -0.848 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.620 0.667 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.393 -0.800 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.831 -1.841 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.416 -2.383 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.326 -1.176 -10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.998 0.417 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.460 1.170 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.974 1.526 -7.996 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.680 0.350 -5.779 1.00 0.00 N ATOM 1887 CA GLU A 116 -13.094 0.616 -5.546 1.00 0.00 C ATOM 1888 C GLU A 116 -13.285 1.935 -4.803 1.00 0.00 C ATOM 1889 O GLU A 116 -14.030 2.810 -5.247 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.726 -0.527 -4.748 1.00 0.00 C ATOM 1891 CG GLU A 116 -14.083 -1.736 -5.596 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.534 -2.920 -4.762 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.672 -2.885 -4.249 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.749 -3.881 -4.624 1.00 0.00 O ATOM 0 H GLU A 116 -11.340 -0.519 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.587 0.690 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.036 -0.836 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.627 -0.160 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.875 -1.465 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.218 -2.025 -6.193 1.00 0.00 H new ATOM 1901 N THR A 117 -12.607 2.072 -3.668 1.00 0.00 N ATOM 1902 CA THR A 117 -12.701 3.283 -2.862 1.00 0.00 C ATOM 1903 C THR A 117 -12.367 4.520 -3.687 1.00 0.00 C ATOM 1904 O THR A 117 -13.044 5.544 -3.590 1.00 0.00 O ATOM 1905 CB THR A 117 -11.760 3.222 -1.644 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.813 4.457 -0.922 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.329 2.944 -2.079 1.00 0.00 C ATOM 0 H THR A 117 -11.986 1.359 -3.286 1.00 0.00 H new ATOM 0 HA THR A 117 -13.731 3.351 -2.512 1.00 0.00 H new ATOM 0 HB THR A 117 -12.091 2.409 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.213 4.410 -0.148 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.683 2.905 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.287 1.989 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.990 3.738 -2.744 1.00 0.00 H new ATOM 1915 N ARG A 118 -11.320 4.419 -4.499 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.896 5.531 -5.341 1.00 0.00 C ATOM 1917 C ARG A 118 -12.102 6.281 -5.900 1.00 0.00 C ATOM 1918 O ARG A 118 -12.956 5.695 -6.565 1.00 0.00 O ATOM 1919 CB ARG A 118 -10.020 5.025 -6.489 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.739 4.350 -6.026 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.771 5.352 -5.417 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.926 5.982 -6.428 1.00 0.00 N ATOM 1923 CZ ARG A 118 -7.260 7.092 -7.077 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -8.414 7.693 -6.820 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.438 7.605 -7.984 1.00 0.00 N ATOM 0 H ARG A 118 -10.750 3.578 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.315 6.218 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -10.595 4.321 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.765 5.864 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.977 3.580 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.264 3.850 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.332 6.120 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.143 4.848 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.030 5.546 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.048 7.303 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.668 8.545 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.549 7.147 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.696 8.457 -8.482 1.00 0.00 H new