USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 765 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 98 THR OG1 : rot -50:sc= -0.496 USER MOD Set 1.2: A 100 ASN : amide:sc= 0.28 X(o=-0.22,f=-0.5) USER MOD Set 2.1: A 76 GLN : amide:sc= -0.553 K(o=-2.4,f=-3.2) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.83 K(o=-2.4,f=-5!) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= -0.0934 USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 LYS NZ :NH3+ -178:sc= -0.895 (180deg=-0.947) USER MOD Set 4.2: A 90 TYR OH : rot 15:sc= -0.745 USER MOD Set 5.1: A 38 HIS : no HD1:sc= -1.17! C(o=-0.32!,f=-5.8!) USER MOD Set 5.2: A 78 SER OG : rot -133:sc= 0.848 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 50:sc= 1.28 USER MOD Single : A 31 ASN : amide:sc= -0.0998 X(o=-0.1,f=-0.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.229) USER MOD Single : A 34 SER OG : rot 170:sc= -0.0615 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.1) USER MOD Single : A 46 THR OG1 : rot -170:sc= -0.508 USER MOD Single : A 47 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= -0.877 X(o=-0.88,f=-0.45) USER MOD Single : A 50 GLN : amide:sc= -0.0657 K(o=-0.066,f=-0.93) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00502 USER MOD Single : A 55 LYS NZ :NH3+ -140:sc=-0.00951 (180deg=-0.204) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 150:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 69:sc= 0.472 USER MOD Single : A 91 ASN : amide:sc= -0.98 K(o=-0.98,f=-4.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 100:sc= 0.533 USER MOD Single : A 110 SER OG : rot -130:sc= -2.58! USER MOD Single : A 113 THR OG1 : rot -139:sc= 0.0763 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.178 12.705 -4.397 1.00 0.00 N ATOM 201 CA VAL A 17 -3.014 11.258 -4.323 1.00 0.00 C ATOM 202 C VAL A 17 -2.426 10.704 -5.616 1.00 0.00 C ATOM 203 O VAL A 17 -2.584 11.277 -6.694 1.00 0.00 O ATOM 204 CB VAL A 17 -4.354 10.555 -4.039 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.798 10.809 -2.607 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.417 11.017 -5.025 1.00 0.00 C ATOM 0 HA VAL A 17 -2.327 11.060 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.215 9.481 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.747 10.304 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.045 10.425 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.921 11.880 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.358 10.510 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.556 12.094 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.100 10.778 -6.040 1.00 0.00 H new ATOM 216 N PRO A 18 -1.730 9.563 -5.508 1.00 0.00 N ATOM 217 CA PRO A 18 -1.104 8.905 -6.659 1.00 0.00 C ATOM 218 C PRO A 18 -2.132 8.304 -7.612 1.00 0.00 C ATOM 219 O PRO A 18 -3.189 7.840 -7.187 1.00 0.00 O ATOM 220 CB PRO A 18 -0.257 7.802 -6.021 1.00 0.00 C ATOM 221 CG PRO A 18 -0.925 7.517 -4.720 1.00 0.00 C ATOM 222 CD PRO A 18 -1.500 8.826 -4.254 1.00 0.00 C ATOM 0 HA PRO A 18 -0.529 9.605 -7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.223 6.914 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.773 8.128 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.707 6.767 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.214 7.123 -3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.426 8.683 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.811 9.356 -3.597 1.00 0.00 H new ATOM 230 N SER A 19 -1.813 8.315 -8.903 1.00 0.00 N ATOM 231 CA SER A 19 -2.710 7.773 -9.916 1.00 0.00 C ATOM 232 C SER A 19 -2.008 6.704 -10.748 1.00 0.00 C ATOM 233 O SER A 19 -2.079 6.711 -11.976 1.00 0.00 O ATOM 234 CB SER A 19 -3.219 8.892 -10.828 1.00 0.00 C ATOM 235 OG SER A 19 -4.148 9.719 -10.149 1.00 0.00 O ATOM 0 H SER A 19 -0.940 8.693 -9.271 1.00 0.00 H new ATOM 0 HA SER A 19 -3.558 7.314 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.379 9.493 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.689 8.460 -11.711 1.00 0.00 H new ATOM 0 HG SER A 19 -4.457 10.427 -10.752 1.00 0.00 H new ATOM 241 N ALA A 20 -1.330 5.785 -10.068 1.00 0.00 N ATOM 242 CA ALA A 20 -0.616 4.708 -10.742 1.00 0.00 C ATOM 243 C ALA A 20 -0.542 3.464 -9.863 1.00 0.00 C ATOM 244 O ALA A 20 0.103 3.471 -8.815 1.00 0.00 O ATOM 245 CB ALA A 20 0.782 5.165 -11.133 1.00 0.00 C ATOM 0 H ALA A 20 -1.260 5.765 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.168 4.450 -11.646 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.304 4.351 -11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.711 6.020 -11.806 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.334 5.452 -10.238 1.00 0.00 H new ATOM 251 N ALA A 21 -1.206 2.398 -10.297 1.00 0.00 N ATOM 252 CA ALA A 21 -1.214 1.147 -9.550 1.00 0.00 C ATOM 253 C ALA A 21 0.044 0.332 -9.830 1.00 0.00 C ATOM 254 O ALA A 21 0.769 0.576 -10.795 1.00 0.00 O ATOM 255 CB ALA A 21 -2.457 0.337 -9.891 1.00 0.00 C ATOM 0 H ALA A 21 -1.745 2.376 -11.162 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.230 1.387 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.450 -0.595 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.347 0.911 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.465 0.114 -10.958 1.00 0.00 H new ATOM 261 N PRO A 22 0.312 -0.660 -8.968 1.00 0.00 N ATOM 262 CA PRO A 22 1.484 -1.530 -9.102 1.00 0.00 C ATOM 263 C PRO A 22 1.375 -2.469 -10.299 1.00 0.00 C ATOM 264 O PRO A 22 0.338 -3.097 -10.513 1.00 0.00 O ATOM 265 CB PRO A 22 1.485 -2.328 -7.795 1.00 0.00 C ATOM 266 CG PRO A 22 0.064 -2.325 -7.349 1.00 0.00 C ATOM 267 CD PRO A 22 -0.508 -1.007 -7.795 1.00 0.00 C ATOM 0 HA PRO A 22 2.398 -0.960 -9.270 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.849 -3.344 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.135 -1.868 -7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.485 -3.157 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.005 -2.434 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.563 -1.094 -8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.432 -0.251 -7.014 1.00 0.00 H new ATOM 275 N GLN A 23 2.450 -2.559 -11.074 1.00 0.00 N ATOM 276 CA GLN A 23 2.473 -3.422 -12.250 1.00 0.00 C ATOM 277 C GLN A 23 3.132 -4.759 -11.930 1.00 0.00 C ATOM 278 O GLN A 23 3.484 -5.031 -10.783 1.00 0.00 O ATOM 279 CB GLN A 23 3.216 -2.735 -13.398 1.00 0.00 C ATOM 280 CG GLN A 23 2.982 -1.234 -13.462 1.00 0.00 C ATOM 281 CD GLN A 23 3.795 -0.563 -14.551 1.00 0.00 C ATOM 282 OE1 GLN A 23 3.641 -0.869 -15.734 1.00 0.00 O ATOM 283 NE2 GLN A 23 4.668 0.357 -14.158 1.00 0.00 N ATOM 0 H GLN A 23 3.316 -2.046 -10.910 1.00 0.00 H new ATOM 0 HA GLN A 23 1.443 -3.609 -12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.284 -2.924 -13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.905 -3.183 -14.341 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.923 -1.042 -13.634 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.234 -0.789 -12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.763 0.580 -13.167 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.244 0.841 -14.847 1.00 0.00 H new ATOM 292 N ASN A 24 3.296 -5.592 -12.953 1.00 0.00 N ATOM 293 CA ASN A 24 3.912 -6.903 -12.781 1.00 0.00 C ATOM 294 C ASN A 24 3.219 -7.688 -11.671 1.00 0.00 C ATOM 295 O ASN A 24 3.868 -8.387 -10.892 1.00 0.00 O ATOM 296 CB ASN A 24 5.401 -6.751 -12.461 1.00 0.00 C ATOM 297 CG ASN A 24 6.261 -6.734 -13.709 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.867 -7.742 -14.074 1.00 0.00 O ATOM 299 ND2 ASN A 24 6.320 -5.584 -14.372 1.00 0.00 N ATOM 0 H ASN A 24 3.011 -5.382 -13.910 1.00 0.00 H new ATOM 0 HA ASN A 24 3.802 -7.455 -13.715 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.558 -5.828 -11.903 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.717 -7.571 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.884 -5.512 -15.219 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.802 -4.773 -14.034 1.00 0.00 H new ATOM 306 N LEU A 25 1.898 -7.567 -11.605 1.00 0.00 N ATOM 307 CA LEU A 25 1.116 -8.266 -10.591 1.00 0.00 C ATOM 308 C LEU A 25 1.031 -9.757 -10.901 1.00 0.00 C ATOM 309 O LEU A 25 1.126 -10.168 -12.058 1.00 0.00 O ATOM 310 CB LEU A 25 -0.291 -7.671 -10.504 1.00 0.00 C ATOM 311 CG LEU A 25 -1.212 -8.279 -9.446 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.726 -7.927 -8.049 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.644 -7.804 -9.650 1.00 0.00 C ATOM 0 H LEU A 25 1.346 -6.992 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 25 1.617 -8.141 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.201 -6.603 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.769 -7.777 -11.478 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.191 -9.364 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.394 -8.368 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.282 -8.316 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.717 -6.844 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.286 -8.246 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.682 -6.718 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.991 -8.107 -10.638 1.00 0.00 H new ATOM 325 N SER A 26 0.850 -10.563 -9.860 1.00 0.00 N ATOM 326 CA SER A 26 0.753 -12.010 -10.020 1.00 0.00 C ATOM 327 C SER A 26 0.316 -12.673 -8.718 1.00 0.00 C ATOM 328 O SER A 26 0.411 -12.079 -7.643 1.00 0.00 O ATOM 329 CB SER A 26 2.097 -12.584 -10.472 1.00 0.00 C ATOM 330 OG SER A 26 2.202 -12.584 -11.885 1.00 0.00 O ATOM 0 H SER A 26 0.767 -10.239 -8.896 1.00 0.00 H new ATOM 0 HA SER A 26 0.002 -12.217 -10.782 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.909 -11.997 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.207 -13.601 -10.096 1.00 0.00 H new ATOM 0 HG SER A 26 1.968 -11.697 -12.230 1.00 0.00 H new ATOM 336 N LEU A 27 -0.164 -13.907 -8.822 1.00 0.00 N ATOM 337 CA LEU A 27 -0.616 -14.653 -7.653 1.00 0.00 C ATOM 338 C LEU A 27 -0.018 -16.056 -7.637 1.00 0.00 C ATOM 339 O LEU A 27 -0.520 -16.962 -8.301 1.00 0.00 O ATOM 340 CB LEU A 27 -2.144 -14.737 -7.637 1.00 0.00 C ATOM 341 CG LEU A 27 -2.891 -13.427 -7.890 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.378 -13.688 -8.072 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.655 -12.450 -6.748 1.00 0.00 C ATOM 0 H LEU A 27 -0.250 -14.412 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.278 -14.124 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.456 -15.461 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.456 -15.129 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.506 -12.982 -8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.894 -12.745 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.529 -14.352 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.778 -14.155 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.194 -11.523 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.013 -12.887 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.589 -12.239 -6.664 1.00 0.00 H new ATOM 355 N GLU A 28 1.056 -16.227 -6.872 1.00 0.00 N ATOM 356 CA GLU A 28 1.721 -17.521 -6.770 1.00 0.00 C ATOM 357 C GLU A 28 1.055 -18.393 -5.709 1.00 0.00 C ATOM 358 O GLU A 28 1.493 -18.436 -4.559 1.00 0.00 O ATOM 359 CB GLU A 28 3.202 -17.333 -6.434 1.00 0.00 C ATOM 360 CG GLU A 28 3.935 -18.636 -6.163 1.00 0.00 C ATOM 361 CD GLU A 28 5.346 -18.416 -5.654 1.00 0.00 C ATOM 362 OE1 GLU A 28 6.193 -17.942 -6.440 1.00 0.00 O ATOM 363 OE2 GLU A 28 5.604 -18.719 -4.470 1.00 0.00 O ATOM 0 H GLU A 28 1.483 -15.487 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 28 1.635 -18.022 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.690 -16.816 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.288 -16.689 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.375 -19.218 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.971 -19.226 -7.079 1.00 0.00 H new ATOM 370 N VAL A 29 -0.009 -19.086 -6.104 1.00 0.00 N ATOM 371 CA VAL A 29 -0.736 -19.957 -5.189 1.00 0.00 C ATOM 372 C VAL A 29 0.205 -20.937 -4.497 1.00 0.00 C ATOM 373 O VAL A 29 0.506 -22.006 -5.029 1.00 0.00 O ATOM 374 CB VAL A 29 -1.835 -20.749 -5.922 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.554 -21.682 -4.959 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.817 -19.801 -6.592 1.00 0.00 C ATOM 0 H VAL A 29 -0.386 -19.061 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.199 -19.313 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.366 -21.356 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.327 -22.233 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.839 -22.384 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.012 -21.098 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.587 -20.377 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.282 -19.166 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.288 -19.179 -7.314 1.00 0.00 H new ATOM 386 N ARG A 30 0.668 -20.565 -3.308 1.00 0.00 N ATOM 387 CA ARG A 30 1.576 -21.410 -2.543 1.00 0.00 C ATOM 388 C ARG A 30 0.889 -22.706 -2.122 1.00 0.00 C ATOM 389 O ARG A 30 1.432 -23.795 -2.302 1.00 0.00 O ATOM 390 CB ARG A 30 2.082 -20.664 -1.306 1.00 0.00 C ATOM 391 CG ARG A 30 2.866 -19.404 -1.634 1.00 0.00 C ATOM 392 CD ARG A 30 4.274 -19.730 -2.105 1.00 0.00 C ATOM 393 NE ARG A 30 5.070 -20.360 -1.055 1.00 0.00 N ATOM 394 CZ ARG A 30 6.122 -21.135 -1.294 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.502 -21.376 -2.542 1.00 0.00 N ATOM 396 NH2 ARG A 30 6.796 -21.672 -0.285 1.00 0.00 N ATOM 0 H ARG A 30 0.429 -19.684 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 30 2.424 -21.659 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.231 -20.399 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.714 -21.333 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.344 -18.841 -2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.915 -18.765 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.223 -20.393 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.767 -18.815 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 30 4.803 -20.196 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.986 -20.966 -3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.310 -21.971 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.507 -21.490 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.604 -22.267 -0.470 1.00 0.00 H new ATOM 410 N ASN A 31 -0.309 -22.579 -1.561 1.00 0.00 N ATOM 411 CA ASN A 31 -1.071 -23.740 -1.114 1.00 0.00 C ATOM 412 C ASN A 31 -2.549 -23.587 -1.460 1.00 0.00 C ATOM 413 O ASN A 31 -2.948 -22.621 -2.110 1.00 0.00 O ATOM 414 CB ASN A 31 -0.906 -23.933 0.395 1.00 0.00 C ATOM 415 CG ASN A 31 0.544 -24.117 0.799 1.00 0.00 C ATOM 416 OD1 ASN A 31 1.055 -25.237 0.829 1.00 0.00 O ATOM 417 ND2 ASN A 31 1.215 -23.015 1.113 1.00 0.00 N ATOM 0 H ASN A 31 -0.773 -21.684 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.685 -24.618 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.319 -23.069 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.482 -24.802 0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.194 -23.076 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.752 -22.107 1.074 1.00 0.00 H new ATOM 424 N SER A 32 -3.356 -24.547 -1.020 1.00 0.00 N ATOM 425 CA SER A 32 -4.790 -24.521 -1.286 1.00 0.00 C ATOM 426 C SER A 32 -5.493 -23.521 -0.373 1.00 0.00 C ATOM 427 O SER A 32 -6.469 -22.882 -0.767 1.00 0.00 O ATOM 428 CB SER A 32 -5.390 -25.915 -1.093 1.00 0.00 C ATOM 429 OG SER A 32 -5.499 -26.238 0.282 1.00 0.00 O ATOM 0 H SER A 32 -3.042 -25.352 -0.478 1.00 0.00 H new ATOM 0 HA SER A 32 -4.938 -24.209 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.374 -25.958 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.767 -26.655 -1.595 1.00 0.00 H new ATOM 0 HG SER A 32 -5.887 -27.133 0.378 1.00 0.00 H new ATOM 435 N LYS A 33 -4.991 -23.391 0.850 1.00 0.00 N ATOM 436 CA LYS A 33 -5.569 -22.469 1.821 1.00 0.00 C ATOM 437 C LYS A 33 -4.736 -21.195 1.923 1.00 0.00 C ATOM 438 O LYS A 33 -4.892 -20.414 2.861 1.00 0.00 O ATOM 439 CB LYS A 33 -5.668 -23.138 3.194 1.00 0.00 C ATOM 440 CG LYS A 33 -4.320 -23.395 3.844 1.00 0.00 C ATOM 441 CD LYS A 33 -3.877 -22.216 4.695 1.00 0.00 C ATOM 442 CE LYS A 33 -3.014 -22.665 5.864 1.00 0.00 C ATOM 443 NZ LYS A 33 -2.093 -21.588 6.319 1.00 0.00 N ATOM 0 H LYS A 33 -4.184 -23.913 1.193 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.570 -22.202 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.266 -22.509 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.198 -24.085 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.378 -24.290 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.574 -23.589 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.319 -21.511 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.753 -21.687 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.654 -22.969 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.433 -23.540 5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.368 -21.993 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.634 -21.152 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.633 -20.866 6.837 1.00 0.00 H new ATOM 457 N SER A 34 -3.853 -20.991 0.951 1.00 0.00 N ATOM 458 CA SER A 34 -2.994 -19.813 0.933 1.00 0.00 C ATOM 459 C SER A 34 -2.712 -19.367 -0.498 1.00 0.00 C ATOM 460 O SER A 34 -2.744 -20.173 -1.428 1.00 0.00 O ATOM 461 CB SER A 34 -1.678 -20.104 1.657 1.00 0.00 C ATOM 462 OG SER A 34 -0.841 -18.960 1.672 1.00 0.00 O ATOM 0 H SER A 34 -3.714 -21.626 0.165 1.00 0.00 H new ATOM 0 HA SER A 34 -3.515 -19.007 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.884 -20.421 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.163 -20.929 1.165 1.00 0.00 H new ATOM 0 HG SER A 34 -0.083 -19.117 2.273 1.00 0.00 H new ATOM 468 N ILE A 35 -2.438 -18.078 -0.667 1.00 0.00 N ATOM 469 CA ILE A 35 -2.149 -17.525 -1.984 1.00 0.00 C ATOM 470 C ILE A 35 -1.196 -16.338 -1.885 1.00 0.00 C ATOM 471 O ILE A 35 -1.565 -15.272 -1.395 1.00 0.00 O ATOM 472 CB ILE A 35 -3.437 -17.076 -2.700 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.356 -18.275 -2.941 1.00 0.00 C ATOM 474 CG2 ILE A 35 -3.100 -16.387 -4.014 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.725 -17.892 -3.459 1.00 0.00 C ATOM 0 H ILE A 35 -2.410 -17.397 0.092 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.678 -18.319 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.960 -16.363 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.882 -18.949 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.471 -18.828 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.020 -16.076 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.480 -15.512 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.558 -17.079 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.323 -18.791 -3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.219 -17.243 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.621 -17.365 -4.408 1.00 0.00 H new ATOM 487 N MET A 36 0.031 -16.532 -2.357 1.00 0.00 N ATOM 488 CA MET A 36 1.037 -15.476 -2.325 1.00 0.00 C ATOM 489 C MET A 36 0.806 -14.471 -3.448 1.00 0.00 C ATOM 490 O MET A 36 0.397 -14.840 -4.550 1.00 0.00 O ATOM 491 CB MET A 36 2.440 -16.076 -2.441 1.00 0.00 C ATOM 492 CG MET A 36 3.530 -15.036 -2.647 1.00 0.00 C ATOM 493 SD MET A 36 5.114 -15.543 -1.950 1.00 0.00 S ATOM 494 CE MET A 36 5.179 -14.524 -0.479 1.00 0.00 C ATOM 0 H MET A 36 0.353 -17.409 -2.766 1.00 0.00 H new ATOM 0 HA MET A 36 0.951 -14.954 -1.372 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.659 -16.646 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.458 -16.779 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.650 -14.848 -3.714 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.221 -14.096 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.104 -14.724 0.062 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.145 -13.472 -0.763 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.328 -14.755 0.161 1.00 0.00 H new ATOM 504 N ILE A 37 1.070 -13.200 -3.162 1.00 0.00 N ATOM 505 CA ILE A 37 0.891 -12.143 -4.150 1.00 0.00 C ATOM 506 C ILE A 37 2.212 -11.444 -4.452 1.00 0.00 C ATOM 507 O ILE A 37 2.960 -11.086 -3.541 1.00 0.00 O ATOM 508 CB ILE A 37 -0.134 -11.096 -3.674 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.296 -11.780 -2.951 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.643 -10.279 -4.852 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.141 -10.830 -2.132 1.00 0.00 C ATOM 0 H ILE A 37 1.408 -12.878 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 37 0.518 -12.618 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 37 0.357 -10.420 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.930 -12.275 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.900 -12.557 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.366 -9.544 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.193 -9.766 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.121 -10.941 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.945 -11.384 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.521 -10.353 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.567 -10.067 -2.784 1.00 0.00 H new ATOM 523 N HIS A 38 2.492 -11.250 -5.737 1.00 0.00 N ATOM 524 CA HIS A 38 3.723 -10.591 -6.160 1.00 0.00 C ATOM 525 C HIS A 38 3.419 -9.416 -7.084 1.00 0.00 C ATOM 526 O HIS A 38 2.858 -9.593 -8.165 1.00 0.00 O ATOM 527 CB HIS A 38 4.643 -11.587 -6.866 1.00 0.00 C ATOM 528 CG HIS A 38 5.244 -12.604 -5.946 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.409 -12.387 -5.242 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.832 -13.851 -5.615 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.690 -13.457 -4.519 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.748 -14.359 -4.727 1.00 0.00 N ATOM 0 H HIS A 38 1.884 -11.539 -6.503 1.00 0.00 H new ATOM 0 HA HIS A 38 4.227 -10.211 -5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.079 -12.101 -7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.444 -11.040 -7.362 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.948 -14.352 -5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.544 -13.574 -3.869 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.707 -15.283 -4.298 1.00 0.00 H new ATOM 541 N TRP A 39 3.793 -8.217 -6.651 1.00 0.00 N ATOM 542 CA TRP A 39 3.560 -7.013 -7.441 1.00 0.00 C ATOM 543 C TRP A 39 4.823 -6.163 -7.522 1.00 0.00 C ATOM 544 O TRP A 39 5.841 -6.489 -6.913 1.00 0.00 O ATOM 545 CB TRP A 39 2.418 -6.195 -6.835 1.00 0.00 C ATOM 546 CG TRP A 39 2.740 -5.634 -5.484 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.307 -4.421 -5.214 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.517 -6.265 -4.218 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.449 -4.260 -3.856 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.971 -5.377 -3.224 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.976 -7.493 -3.828 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.901 -5.681 -1.867 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.907 -7.793 -2.481 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.367 -6.890 -1.513 1.00 0.00 C ATOM 0 H TRP A 39 4.258 -8.053 -5.758 1.00 0.00 H new ATOM 0 HA TRP A 39 3.284 -7.318 -8.451 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.169 -5.376 -7.510 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.532 -6.825 -6.757 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.601 -3.695 -5.958 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.846 -3.442 -3.394 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.618 -8.195 -4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.256 -4.987 -1.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.491 -8.740 -2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.299 -7.153 -0.468 1.00 0.00 H new ATOM 565 N GLN A 40 4.749 -5.071 -8.277 1.00 0.00 N ATOM 566 CA GLN A 40 5.888 -4.175 -8.438 1.00 0.00 C ATOM 567 C GLN A 40 5.458 -2.718 -8.299 1.00 0.00 C ATOM 568 O GLN A 40 4.316 -2.353 -8.582 1.00 0.00 O ATOM 569 CB GLN A 40 6.550 -4.397 -9.798 1.00 0.00 C ATOM 570 CG GLN A 40 7.260 -5.736 -9.919 1.00 0.00 C ATOM 571 CD GLN A 40 8.528 -5.800 -9.090 1.00 0.00 C ATOM 572 OE1 GLN A 40 9.332 -4.868 -9.090 1.00 0.00 O ATOM 573 NE2 GLN A 40 8.714 -6.905 -8.378 1.00 0.00 N ATOM 0 H GLN A 40 3.913 -4.786 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 40 6.608 -4.398 -7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.792 -4.326 -10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.268 -3.597 -9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.584 -6.531 -9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.504 -5.920 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.021 -7.653 -8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.549 -7.006 -7.802 1.00 0.00 H new ATOM 582 N PRO A 41 6.392 -1.865 -7.854 1.00 0.00 N ATOM 583 CA PRO A 41 6.133 -0.434 -7.668 1.00 0.00 C ATOM 584 C PRO A 41 5.954 0.299 -8.993 1.00 0.00 C ATOM 585 O PRO A 41 6.647 0.035 -9.976 1.00 0.00 O ATOM 586 CB PRO A 41 7.388 0.063 -6.947 1.00 0.00 C ATOM 587 CG PRO A 41 8.455 -0.900 -7.337 1.00 0.00 C ATOM 588 CD PRO A 41 7.773 -2.231 -7.498 1.00 0.00 C ATOM 0 HA PRO A 41 5.210 -0.255 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.642 1.079 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.244 0.078 -5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.937 -0.594 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.233 -0.950 -6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.243 -2.832 -8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.810 -2.815 -6.579 1.00 0.00 H new ATOM 596 N PRO A 42 5.002 1.244 -9.024 1.00 0.00 N ATOM 597 CA PRO A 42 4.711 2.036 -10.222 1.00 0.00 C ATOM 598 C PRO A 42 5.831 3.015 -10.557 1.00 0.00 C ATOM 599 O PRO A 42 6.761 3.201 -9.772 1.00 0.00 O ATOM 600 CB PRO A 42 3.435 2.793 -9.846 1.00 0.00 C ATOM 601 CG PRO A 42 3.467 2.874 -8.359 1.00 0.00 C ATOM 602 CD PRO A 42 4.138 1.613 -7.890 1.00 0.00 C ATOM 0 HA PRO A 42 4.607 1.410 -11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.416 3.785 -10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.546 2.268 -10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.017 3.755 -8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.460 2.955 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.717 1.780 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.412 0.831 -7.667 1.00 0.00 H new ATOM 610 N ALA A 43 5.736 3.639 -11.727 1.00 0.00 N ATOM 611 CA ALA A 43 6.741 4.601 -12.163 1.00 0.00 C ATOM 612 C ALA A 43 6.930 5.705 -11.129 1.00 0.00 C ATOM 613 O ALA A 43 6.021 6.039 -10.369 1.00 0.00 O ATOM 614 CB ALA A 43 6.351 5.196 -13.508 1.00 0.00 C ATOM 0 H ALA A 43 4.974 3.496 -12.389 1.00 0.00 H new ATOM 0 HA ALA A 43 7.690 4.075 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.110 5.913 -13.822 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.274 4.401 -14.249 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.390 5.702 -13.417 1.00 0.00 H new ATOM 620 N PRO A 44 8.138 6.286 -11.096 1.00 0.00 N ATOM 621 CA PRO A 44 8.475 7.361 -10.158 1.00 0.00 C ATOM 622 C PRO A 44 7.750 8.662 -10.484 1.00 0.00 C ATOM 623 O PRO A 44 7.463 9.463 -9.595 1.00 0.00 O ATOM 624 CB PRO A 44 9.985 7.530 -10.340 1.00 0.00 C ATOM 625 CG PRO A 44 10.258 7.043 -11.722 1.00 0.00 C ATOM 626 CD PRO A 44 9.269 5.938 -11.973 1.00 0.00 C ATOM 0 HA PRO A 44 8.180 7.119 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.284 8.572 -10.221 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.540 6.953 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.139 7.846 -12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.281 6.679 -11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.968 5.898 -13.020 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.685 4.962 -11.724 1.00 0.00 H new ATOM 634 N ALA A 45 7.457 8.866 -11.764 1.00 0.00 N ATOM 635 CA ALA A 45 6.763 10.070 -12.207 1.00 0.00 C ATOM 636 C ALA A 45 5.297 10.043 -11.789 1.00 0.00 C ATOM 637 O ALA A 45 4.690 11.086 -11.544 1.00 0.00 O ATOM 638 CB ALA A 45 6.881 10.222 -13.716 1.00 0.00 C ATOM 0 H ALA A 45 7.689 8.213 -12.513 1.00 0.00 H new ATOM 0 HA ALA A 45 7.234 10.929 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.358 11.125 -14.033 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.933 10.295 -13.993 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.437 9.355 -14.205 1.00 0.00 H new ATOM 644 N THR A 46 4.731 8.843 -11.709 1.00 0.00 N ATOM 645 CA THR A 46 3.335 8.680 -11.323 1.00 0.00 C ATOM 646 C THR A 46 3.213 8.280 -9.857 1.00 0.00 C ATOM 647 O THR A 46 2.375 7.454 -9.498 1.00 0.00 O ATOM 648 CB THR A 46 2.631 7.621 -12.193 1.00 0.00 C ATOM 649 OG1 THR A 46 3.258 6.346 -12.016 1.00 0.00 O ATOM 650 CG2 THR A 46 2.672 8.014 -13.662 1.00 0.00 C ATOM 0 H THR A 46 5.218 7.969 -11.907 1.00 0.00 H new ATOM 0 HA THR A 46 2.851 9.644 -11.475 1.00 0.00 H new ATOM 0 HB THR A 46 1.589 7.559 -11.879 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.913 5.716 -12.683 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.169 7.252 -14.257 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.168 8.971 -13.797 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.709 8.102 -13.986 1.00 0.00 H new ATOM 658 N GLN A 47 4.054 8.871 -9.015 1.00 0.00 N ATOM 659 CA GLN A 47 4.040 8.575 -7.587 1.00 0.00 C ATOM 660 C GLN A 47 3.524 9.768 -6.789 1.00 0.00 C ATOM 661 O GLN A 47 2.615 9.633 -5.971 1.00 0.00 O ATOM 662 CB GLN A 47 5.442 8.195 -7.110 1.00 0.00 C ATOM 663 CG GLN A 47 5.732 6.705 -7.196 1.00 0.00 C ATOM 664 CD GLN A 47 6.763 6.251 -6.183 1.00 0.00 C ATOM 665 OE1 GLN A 47 7.285 7.054 -5.408 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.063 4.957 -6.181 1.00 0.00 N ATOM 0 H GLN A 47 4.754 9.558 -9.297 1.00 0.00 H new ATOM 0 HA GLN A 47 3.368 7.733 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.178 8.735 -7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.566 8.522 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.807 6.149 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.084 6.465 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.607 4.327 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.750 4.594 -5.520 1.00 0.00 H new ATOM 675 N ASN A 48 4.110 10.935 -7.034 1.00 0.00 N ATOM 676 CA ASN A 48 3.710 12.152 -6.337 1.00 0.00 C ATOM 677 C ASN A 48 3.973 12.033 -4.839 1.00 0.00 C ATOM 678 O ASN A 48 3.210 12.545 -4.021 1.00 0.00 O ATOM 679 CB ASN A 48 2.228 12.443 -6.584 1.00 0.00 C ATOM 680 CG ASN A 48 1.818 12.172 -8.019 1.00 0.00 C ATOM 681 OD1 ASN A 48 2.573 12.441 -8.953 1.00 0.00 O ATOM 682 ND2 ASN A 48 0.616 11.638 -8.199 1.00 0.00 N ATOM 0 H ASN A 48 4.863 11.064 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 48 4.306 12.977 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.624 11.831 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.019 13.485 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.285 11.434 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.024 11.432 -7.394 1.00 0.00 H new ATOM 689 N GLY A 49 5.060 11.352 -4.486 1.00 0.00 N ATOM 690 CA GLY A 49 5.405 11.178 -3.088 1.00 0.00 C ATOM 691 C GLY A 49 6.056 9.836 -2.814 1.00 0.00 C ATOM 692 O GLY A 49 6.343 9.079 -3.740 1.00 0.00 O ATOM 0 H GLY A 49 5.707 10.918 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.082 11.976 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.505 11.273 -2.480 1.00 0.00 H new ATOM 696 N GLN A 50 6.291 9.543 -1.539 1.00 0.00 N ATOM 697 CA GLN A 50 6.915 8.285 -1.147 1.00 0.00 C ATOM 698 C GLN A 50 5.872 7.295 -0.641 1.00 0.00 C ATOM 699 O GLN A 50 4.962 7.663 0.103 1.00 0.00 O ATOM 700 CB GLN A 50 7.970 8.529 -0.067 1.00 0.00 C ATOM 701 CG GLN A 50 7.400 9.098 1.223 1.00 0.00 C ATOM 702 CD GLN A 50 8.450 9.790 2.070 1.00 0.00 C ATOM 703 OE1 GLN A 50 9.319 10.490 1.551 1.00 0.00 O ATOM 704 NE2 GLN A 50 8.374 9.597 3.381 1.00 0.00 N ATOM 0 H GLN A 50 6.059 10.159 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 50 7.398 7.859 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.477 7.589 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.723 9.214 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.607 9.806 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.945 8.293 1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.636 9.008 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.053 10.037 4.002 1.00 0.00 H new ATOM 713 N ILE A 51 6.009 6.038 -1.049 1.00 0.00 N ATOM 714 CA ILE A 51 5.079 4.994 -0.636 1.00 0.00 C ATOM 715 C ILE A 51 5.324 4.581 0.811 1.00 0.00 C ATOM 716 O ILE A 51 6.466 4.517 1.266 1.00 0.00 O ATOM 717 CB ILE A 51 5.190 3.751 -1.539 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.822 4.107 -2.981 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.295 2.637 -1.018 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.210 3.043 -3.983 1.00 0.00 C ATOM 0 H ILE A 51 6.756 5.718 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 51 4.076 5.411 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 51 6.222 3.399 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.747 4.277 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.309 5.044 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.384 1.765 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.599 2.369 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.259 2.977 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.919 3.362 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.289 2.889 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.702 2.110 -3.738 1.00 0.00 H new ATOM 732 N THR A 52 4.242 4.301 1.532 1.00 0.00 N ATOM 733 CA THR A 52 4.338 3.893 2.928 1.00 0.00 C ATOM 734 C THR A 52 3.913 2.440 3.107 1.00 0.00 C ATOM 735 O THR A 52 4.551 1.681 3.834 1.00 0.00 O ATOM 736 CB THR A 52 3.471 4.785 3.835 1.00 0.00 C ATOM 737 OG1 THR A 52 2.092 4.663 3.468 1.00 0.00 O ATOM 738 CG2 THR A 52 3.901 6.241 3.733 1.00 0.00 C ATOM 0 H THR A 52 3.289 4.350 1.172 1.00 0.00 H new ATOM 0 HA THR A 52 5.383 4.001 3.217 1.00 0.00 H new ATOM 0 HB THR A 52 3.603 4.455 4.865 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.547 5.232 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.274 6.852 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.942 6.335 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.795 6.580 2.703 1.00 0.00 H new ATOM 746 N GLY A 53 2.829 2.059 2.437 1.00 0.00 N ATOM 747 CA GLY A 53 2.337 0.697 2.536 1.00 0.00 C ATOM 748 C GLY A 53 1.336 0.362 1.448 1.00 0.00 C ATOM 749 O GLY A 53 0.837 1.252 0.758 1.00 0.00 O ATOM 0 H GLY A 53 2.283 2.669 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.177 0.005 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.872 0.552 3.511 1.00 0.00 H new ATOM 753 N TYR A 54 1.042 -0.924 1.292 1.00 0.00 N ATOM 754 CA TYR A 54 0.097 -1.375 0.278 1.00 0.00 C ATOM 755 C TYR A 54 -1.172 -1.926 0.921 1.00 0.00 C ATOM 756 O TYR A 54 -1.134 -2.484 2.018 1.00 0.00 O ATOM 757 CB TYR A 54 0.739 -2.443 -0.608 1.00 0.00 C ATOM 758 CG TYR A 54 1.808 -1.903 -1.530 1.00 0.00 C ATOM 759 CD1 TYR A 54 1.472 -1.210 -2.686 1.00 0.00 C ATOM 760 CD2 TYR A 54 3.156 -2.085 -1.245 1.00 0.00 C ATOM 761 CE1 TYR A 54 2.446 -0.715 -3.532 1.00 0.00 C ATOM 762 CE2 TYR A 54 4.137 -1.593 -2.084 1.00 0.00 C ATOM 763 CZ TYR A 54 3.777 -0.909 -3.226 1.00 0.00 C ATOM 764 OH TYR A 54 4.750 -0.417 -4.065 1.00 0.00 O ATOM 0 H TYR A 54 1.445 -1.673 1.855 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.173 -0.517 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.174 -3.215 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.037 -2.921 -1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.431 -1.055 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.442 -2.621 -0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.167 -0.179 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.180 -1.743 -1.847 1.00 0.00 H new ATOM 0 HH TYR A 54 5.634 -0.638 -3.705 1.00 0.00 H new ATOM 774 N LYS A 55 -2.295 -1.767 0.230 1.00 0.00 N ATOM 775 CA LYS A 55 -3.577 -2.249 0.731 1.00 0.00 C ATOM 776 C LYS A 55 -4.120 -3.368 -0.153 1.00 0.00 C ATOM 777 O LYS A 55 -4.821 -3.113 -1.132 1.00 0.00 O ATOM 778 CB LYS A 55 -4.587 -1.102 0.796 1.00 0.00 C ATOM 779 CG LYS A 55 -5.674 -1.306 1.838 1.00 0.00 C ATOM 780 CD LYS A 55 -6.575 -0.088 1.950 1.00 0.00 C ATOM 781 CE LYS A 55 -5.955 0.984 2.833 1.00 0.00 C ATOM 782 NZ LYS A 55 -5.949 0.586 4.268 1.00 0.00 N ATOM 0 H LYS A 55 -2.344 -1.308 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.421 -2.645 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.057 -0.174 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.052 -0.982 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.272 -2.179 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.217 -1.512 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.762 0.320 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.541 -0.385 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.934 1.178 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.509 1.915 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.186 1.409 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.652 -0.164 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.005 0.235 4.527 1.00 0.00 H new ATOM 796 N ILE A 56 -3.792 -4.606 0.201 1.00 0.00 N ATOM 797 CA ILE A 56 -4.249 -5.763 -0.559 1.00 0.00 C ATOM 798 C ILE A 56 -5.630 -6.214 -0.097 1.00 0.00 C ATOM 799 O ILE A 56 -5.827 -6.546 1.073 1.00 0.00 O ATOM 800 CB ILE A 56 -3.267 -6.943 -0.433 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.869 -6.522 -0.888 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.760 -8.131 -1.246 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.779 -7.479 -0.456 1.00 0.00 C ATOM 0 H ILE A 56 -3.212 -4.834 1.009 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.301 -5.454 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.213 -7.242 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.859 -6.439 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.650 -5.531 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.056 -8.957 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.738 -8.442 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.840 -7.846 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.185 -7.118 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.762 -7.544 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.974 -8.466 -0.875 1.00 0.00 H new ATOM 815 N ARG A 57 -6.584 -6.225 -1.022 1.00 0.00 N ATOM 816 CA ARG A 57 -7.948 -6.636 -0.710 1.00 0.00 C ATOM 817 C ARG A 57 -8.369 -7.822 -1.571 1.00 0.00 C ATOM 818 O ARG A 57 -8.105 -7.854 -2.773 1.00 0.00 O ATOM 819 CB ARG A 57 -8.915 -5.469 -0.920 1.00 0.00 C ATOM 820 CG ARG A 57 -8.911 -4.462 0.218 1.00 0.00 C ATOM 821 CD ARG A 57 -10.099 -3.517 0.129 1.00 0.00 C ATOM 822 NE ARG A 57 -10.107 -2.543 1.218 1.00 0.00 N ATOM 823 CZ ARG A 57 -11.007 -1.573 1.330 1.00 0.00 C ATOM 824 NH1 ARG A 57 -11.967 -1.447 0.424 1.00 0.00 N ATOM 825 NH2 ARG A 57 -10.947 -0.725 2.349 1.00 0.00 N ATOM 0 H ARG A 57 -6.438 -5.954 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.979 -6.941 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.658 -4.957 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.924 -5.862 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.934 -4.989 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.985 -3.888 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.074 -2.992 -0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.024 -4.094 0.152 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.381 -2.612 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.015 -2.096 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.657 -0.701 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.209 -0.818 3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.639 0.020 2.434 1.00 0.00 H new ATOM 839 N TYR A 58 -9.025 -8.795 -0.949 1.00 0.00 N ATOM 840 CA TYR A 58 -9.480 -9.985 -1.658 1.00 0.00 C ATOM 841 C TYR A 58 -10.895 -10.366 -1.231 1.00 0.00 C ATOM 842 O TYR A 58 -11.287 -10.153 -0.083 1.00 0.00 O ATOM 843 CB TYR A 58 -8.526 -11.153 -1.402 1.00 0.00 C ATOM 844 CG TYR A 58 -8.378 -11.504 0.061 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.676 -10.675 0.927 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.938 -12.666 0.577 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.537 -10.992 2.264 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.805 -12.991 1.913 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.104 -12.151 2.753 1.00 0.00 C ATOM 850 OH TYR A 58 -7.968 -12.471 4.084 1.00 0.00 O ATOM 0 H TYR A 58 -9.254 -8.783 0.045 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.490 -9.760 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.884 -12.029 -1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.545 -10.906 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.231 -9.767 0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.487 -13.327 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.988 -10.336 2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.248 -13.898 2.298 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.427 -13.318 4.265 1.00 0.00 H new ATOM 860 N ARG A 59 -11.655 -10.932 -2.162 1.00 0.00 N ATOM 861 CA ARG A 59 -13.026 -11.342 -1.884 1.00 0.00 C ATOM 862 C ARG A 59 -13.348 -12.664 -2.575 1.00 0.00 C ATOM 863 O ARG A 59 -12.640 -13.089 -3.488 1.00 0.00 O ATOM 864 CB ARG A 59 -14.007 -10.262 -2.342 1.00 0.00 C ATOM 865 CG ARG A 59 -13.950 -9.981 -3.834 1.00 0.00 C ATOM 866 CD ARG A 59 -14.882 -8.843 -4.223 1.00 0.00 C ATOM 867 NE ARG A 59 -15.083 -8.770 -5.668 1.00 0.00 N ATOM 868 CZ ARG A 59 -15.762 -7.798 -6.267 1.00 0.00 C ATOM 869 NH1 ARG A 59 -16.301 -6.822 -5.549 1.00 0.00 N ATOM 870 NH2 ARG A 59 -15.902 -7.800 -7.586 1.00 0.00 N ATOM 0 H ARG A 59 -11.345 -11.117 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.126 -11.480 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.019 -10.567 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.799 -9.340 -1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.928 -9.730 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.223 -10.881 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.844 -8.978 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.470 -7.899 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.680 -9.505 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.195 -6.817 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.822 -6.077 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.488 -8.549 -8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.424 -7.053 -8.045 1.00 0.00 H new ATOM 884 N LYS A 60 -14.421 -13.311 -2.132 1.00 0.00 N ATOM 885 CA LYS A 60 -14.839 -14.584 -2.707 1.00 0.00 C ATOM 886 C LYS A 60 -15.592 -14.369 -4.016 1.00 0.00 C ATOM 887 O LYS A 60 -16.369 -13.424 -4.148 1.00 0.00 O ATOM 888 CB LYS A 60 -15.722 -15.348 -1.718 1.00 0.00 C ATOM 889 CG LYS A 60 -14.945 -16.271 -0.795 1.00 0.00 C ATOM 890 CD LYS A 60 -15.871 -17.054 0.120 1.00 0.00 C ATOM 891 CE LYS A 60 -16.287 -18.376 -0.507 1.00 0.00 C ATOM 892 NZ LYS A 60 -15.292 -19.452 -0.242 1.00 0.00 N ATOM 0 H LYS A 60 -15.017 -12.974 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.945 -15.171 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.281 -14.632 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.452 -15.935 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.349 -16.963 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.249 -15.685 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.372 -17.242 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.758 -16.459 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.259 -18.675 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.405 -18.247 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.594 -20.328 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.363 -19.164 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.223 -19.617 0.783 1.00 0.00 H new ATOM 906 N ALA A 61 -15.356 -15.252 -4.980 1.00 0.00 N ATOM 907 CA ALA A 61 -16.015 -15.161 -6.278 1.00 0.00 C ATOM 908 C ALA A 61 -17.411 -15.773 -6.229 1.00 0.00 C ATOM 909 O ALA A 61 -18.028 -16.018 -7.266 1.00 0.00 O ATOM 910 CB ALA A 61 -15.174 -15.843 -7.346 1.00 0.00 C ATOM 0 H ALA A 61 -14.714 -16.039 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.118 -14.106 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.678 -15.767 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.200 -15.358 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.040 -16.894 -7.088 1.00 0.00 H new ATOM 916 N SER A 62 -17.903 -16.018 -5.019 1.00 0.00 N ATOM 917 CA SER A 62 -19.225 -16.606 -4.836 1.00 0.00 C ATOM 918 C SER A 62 -20.124 -15.679 -4.023 1.00 0.00 C ATOM 919 O SER A 62 -21.339 -15.650 -4.216 1.00 0.00 O ATOM 920 CB SER A 62 -19.110 -17.963 -4.139 1.00 0.00 C ATOM 921 OG SER A 62 -18.249 -18.832 -4.854 1.00 0.00 O ATOM 0 H SER A 62 -17.406 -15.819 -4.151 1.00 0.00 H new ATOM 0 HA SER A 62 -19.673 -16.747 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.732 -17.824 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.098 -18.415 -4.052 1.00 0.00 H new ATOM 0 HG SER A 62 -18.191 -19.692 -4.387 1.00 0.00 H new ATOM 927 N ARG A 63 -19.516 -14.923 -3.114 1.00 0.00 N ATOM 928 CA ARG A 63 -20.261 -13.996 -2.271 1.00 0.00 C ATOM 929 C ARG A 63 -20.049 -12.556 -2.727 1.00 0.00 C ATOM 930 O ARG A 63 -20.945 -11.719 -2.616 1.00 0.00 O ATOM 931 CB ARG A 63 -19.834 -14.147 -0.809 1.00 0.00 C ATOM 932 CG ARG A 63 -20.509 -13.158 0.127 1.00 0.00 C ATOM 933 CD ARG A 63 -20.402 -13.604 1.578 1.00 0.00 C ATOM 934 NE ARG A 63 -20.945 -12.607 2.497 1.00 0.00 N ATOM 935 CZ ARG A 63 -22.236 -12.505 2.791 1.00 0.00 C ATOM 936 NH1 ARG A 63 -23.113 -13.333 2.240 1.00 0.00 N ATOM 937 NH2 ARG A 63 -22.654 -11.572 3.637 1.00 0.00 N ATOM 0 H ARG A 63 -18.511 -14.934 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 63 -21.321 -14.235 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.058 -15.160 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.754 -14.021 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -20.051 -12.176 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -21.559 -13.054 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.935 -14.546 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -19.357 -13.793 1.823 1.00 0.00 H new ATOM 0 HE ARG A 63 -20.297 -11.953 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.797 -14.051 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.104 -13.252 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -21.983 -10.932 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.646 -11.495 3.862 1.00 0.00 H new ATOM 951 N LYS A 64 -18.857 -12.273 -3.241 1.00 0.00 N ATOM 952 CA LYS A 64 -18.525 -10.935 -3.716 1.00 0.00 C ATOM 953 C LYS A 64 -19.082 -9.870 -2.776 1.00 0.00 C ATOM 954 O LYS A 64 -19.511 -8.804 -3.216 1.00 0.00 O ATOM 955 CB LYS A 64 -19.075 -10.721 -5.128 1.00 0.00 C ATOM 956 CG LYS A 64 -18.146 -11.215 -6.224 1.00 0.00 C ATOM 957 CD LYS A 64 -18.429 -12.664 -6.584 1.00 0.00 C ATOM 958 CE LYS A 64 -18.069 -12.958 -8.032 1.00 0.00 C ATOM 959 NZ LYS A 64 -19.216 -12.714 -8.949 1.00 0.00 N ATOM 0 H LYS A 64 -18.104 -12.954 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.439 -10.844 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.033 -11.233 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.266 -9.658 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -18.262 -10.590 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.111 -11.116 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.861 -13.321 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.484 -12.882 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.226 -12.334 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.746 -13.995 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.930 -12.926 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.012 -13.327 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.508 -11.718 -8.882 1.00 0.00 H new ATOM 973 N SER A 65 -19.071 -10.167 -1.481 1.00 0.00 N ATOM 974 CA SER A 65 -19.578 -9.237 -0.479 1.00 0.00 C ATOM 975 C SER A 65 -18.615 -9.131 0.700 1.00 0.00 C ATOM 976 O SER A 65 -18.413 -8.051 1.256 1.00 0.00 O ATOM 977 CB SER A 65 -20.956 -9.683 0.012 1.00 0.00 C ATOM 978 OG SER A 65 -21.732 -8.574 0.432 1.00 0.00 O ATOM 0 H SER A 65 -18.716 -11.045 -1.101 1.00 0.00 H new ATOM 0 HA SER A 65 -19.667 -8.255 -0.943 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.476 -10.213 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.841 -10.384 0.838 1.00 0.00 H new ATOM 0 HG SER A 65 -22.609 -8.886 0.740 1.00 0.00 H new ATOM 984 N ASP A 66 -18.025 -10.260 1.076 1.00 0.00 N ATOM 985 CA ASP A 66 -17.082 -10.296 2.189 1.00 0.00 C ATOM 986 C ASP A 66 -15.662 -10.018 1.707 1.00 0.00 C ATOM 987 O ASP A 66 -15.079 -10.812 0.969 1.00 0.00 O ATOM 988 CB ASP A 66 -17.139 -11.654 2.889 1.00 0.00 C ATOM 989 CG ASP A 66 -16.530 -11.616 4.277 1.00 0.00 C ATOM 990 OD1 ASP A 66 -16.710 -10.597 4.977 1.00 0.00 O ATOM 991 OD2 ASP A 66 -15.873 -12.605 4.664 1.00 0.00 O ATOM 0 H ASP A 66 -18.182 -11.162 0.627 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.365 -9.518 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.177 -11.980 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.613 -12.393 2.285 1.00 0.00 H new ATOM 996 N VAL A 67 -15.111 -8.884 2.129 1.00 0.00 N ATOM 997 CA VAL A 67 -13.759 -8.500 1.740 1.00 0.00 C ATOM 998 C VAL A 67 -12.868 -8.312 2.963 1.00 0.00 C ATOM 999 O VAL A 67 -13.314 -7.822 4.001 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.759 -7.200 0.915 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.403 -6.980 0.263 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -14.864 -7.234 -0.131 1.00 0.00 C ATOM 0 H VAL A 67 -15.580 -8.215 2.740 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.365 -9.310 1.127 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.951 -6.364 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.423 -6.056 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.636 -6.909 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.177 -7.817 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.850 -6.308 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.705 -8.079 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.830 -7.340 0.363 1.00 0.00 H new ATOM 1012 N THR A 68 -11.605 -8.706 2.835 1.00 0.00 N ATOM 1013 CA THR A 68 -10.650 -8.582 3.929 1.00 0.00 C ATOM 1014 C THR A 68 -9.536 -7.602 3.579 1.00 0.00 C ATOM 1015 O THR A 68 -9.062 -7.568 2.444 1.00 0.00 O ATOM 1016 CB THR A 68 -10.027 -9.944 4.288 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.059 -10.902 4.546 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.124 -9.822 5.506 1.00 0.00 C ATOM 0 H THR A 68 -11.219 -9.114 1.983 1.00 0.00 H new ATOM 0 HA THR A 68 -11.203 -8.206 4.790 1.00 0.00 H new ATOM 0 HB THR A 68 -9.426 -10.278 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.655 -11.766 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.696 -10.796 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.322 -9.114 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.706 -9.468 6.357 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.123 -6.807 4.561 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.063 -5.826 4.354 1.00 0.00 C ATOM 1028 C GLU A 69 -6.723 -6.360 4.853 1.00 0.00 C ATOM 1029 O GLU A 69 -6.621 -6.872 5.968 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.402 -4.518 5.071 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.338 -3.445 4.917 1.00 0.00 C ATOM 1032 CD GLU A 69 -6.153 -3.662 5.838 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -6.376 -3.941 7.035 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -5.003 -3.553 5.363 1.00 0.00 O ATOM 0 H GLU A 69 -9.505 -6.823 5.507 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.983 -5.635 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.348 -4.137 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.549 -4.723 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.992 -3.428 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.779 -2.469 5.122 1.00 0.00 H new ATOM 1041 N THR A 70 -5.696 -6.237 4.018 1.00 0.00 N ATOM 1042 CA THR A 70 -4.363 -6.707 4.371 1.00 0.00 C ATOM 1043 C THR A 70 -3.328 -5.601 4.205 1.00 0.00 C ATOM 1044 O THR A 70 -3.012 -5.194 3.086 1.00 0.00 O ATOM 1045 CB THR A 70 -3.948 -7.916 3.512 1.00 0.00 C ATOM 1046 OG1 THR A 70 -4.892 -8.980 3.674 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.558 -8.402 3.896 1.00 0.00 C ATOM 0 H THR A 70 -5.763 -5.815 3.092 1.00 0.00 H new ATOM 0 HA THR A 70 -4.402 -7.010 5.417 1.00 0.00 H new ATOM 0 HB THR A 70 -3.931 -7.602 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.935 -9.508 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.287 -9.256 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.837 -7.599 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.553 -8.699 4.945 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.801 -5.117 5.325 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.799 -4.057 5.304 1.00 0.00 C ATOM 1057 C LEU A 71 -0.390 -4.638 5.370 1.00 0.00 C ATOM 1058 O LEU A 71 -0.087 -5.461 6.234 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.022 -3.095 6.472 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.663 -1.631 6.213 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -0.167 -1.481 5.983 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -2.444 -1.093 5.023 1.00 0.00 C ATOM 0 H LEU A 71 -3.051 -5.442 6.259 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.903 -3.511 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.071 -3.145 6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.438 -3.447 7.323 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.935 -1.049 7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.070 -0.433 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.373 -1.827 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.130 -2.076 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.176 -0.050 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.204 -1.678 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.512 -1.164 5.227 1.00 0.00 H new ATOM 1074 N VAL A 72 0.467 -4.202 4.453 1.00 0.00 N ATOM 1075 CA VAL A 72 1.846 -4.676 4.409 1.00 0.00 C ATOM 1076 C VAL A 72 2.829 -3.512 4.445 1.00 0.00 C ATOM 1077 O VAL A 72 2.428 -2.348 4.440 1.00 0.00 O ATOM 1078 CB VAL A 72 2.110 -5.518 3.146 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.288 -6.798 3.176 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.807 -4.709 1.894 1.00 0.00 C ATOM 0 H VAL A 72 0.231 -3.522 3.731 1.00 0.00 H new ATOM 0 HA VAL A 72 1.994 -5.300 5.290 1.00 0.00 H new ATOM 0 HB VAL A 72 3.165 -5.793 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.488 -7.380 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.559 -7.384 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.228 -6.549 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.999 -5.319 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.761 -4.403 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.444 -3.825 1.869 1.00 0.00 H new ATOM 1090 N SER A 73 4.118 -3.833 4.479 1.00 0.00 N ATOM 1091 CA SER A 73 5.159 -2.813 4.519 1.00 0.00 C ATOM 1092 C SER A 73 5.338 -2.166 3.149 1.00 0.00 C ATOM 1093 O SER A 73 5.009 -2.759 2.122 1.00 0.00 O ATOM 1094 CB SER A 73 6.483 -3.424 4.984 1.00 0.00 C ATOM 1095 OG SER A 73 7.457 -2.419 5.208 1.00 0.00 O ATOM 0 H SER A 73 4.467 -4.792 4.480 1.00 0.00 H new ATOM 0 HA SER A 73 4.853 -2.044 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.323 -3.991 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.846 -4.126 4.234 1.00 0.00 H new ATOM 0 HG SER A 73 8.293 -2.834 5.506 1.00 0.00 H new ATOM 1101 N GLY A 74 5.864 -0.945 3.143 1.00 0.00 N ATOM 1102 CA GLY A 74 6.078 -0.236 1.894 1.00 0.00 C ATOM 1103 C GLY A 74 7.004 -0.982 0.955 1.00 0.00 C ATOM 1104 O GLY A 74 6.629 -1.309 -0.171 1.00 0.00 O ATOM 0 H GLY A 74 6.146 -0.434 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.119 -0.076 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.496 0.748 2.106 1.00 0.00 H new ATOM 1108 N THR A 75 8.221 -1.253 1.418 1.00 0.00 N ATOM 1109 CA THR A 75 9.205 -1.963 0.611 1.00 0.00 C ATOM 1110 C THR A 75 8.688 -3.336 0.195 1.00 0.00 C ATOM 1111 O THR A 75 9.021 -3.834 -0.880 1.00 0.00 O ATOM 1112 CB THR A 75 10.535 -2.136 1.370 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.506 -2.758 0.521 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.337 -2.976 2.623 1.00 0.00 C ATOM 0 H THR A 75 8.548 -0.991 2.348 1.00 0.00 H new ATOM 0 HA THR A 75 9.379 -1.358 -0.279 1.00 0.00 H new ATOM 0 HB THR A 75 10.891 -1.149 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.349 -2.863 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.289 -3.085 3.142 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.619 -2.485 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.961 -3.961 2.345 1.00 0.00 H new ATOM 1122 N GLN A 76 7.874 -3.941 1.053 1.00 0.00 N ATOM 1123 CA GLN A 76 7.311 -5.257 0.774 1.00 0.00 C ATOM 1124 C GLN A 76 6.458 -5.227 -0.490 1.00 0.00 C ATOM 1125 O GLN A 76 5.423 -4.562 -0.538 1.00 0.00 O ATOM 1126 CB GLN A 76 6.471 -5.738 1.958 1.00 0.00 C ATOM 1127 CG GLN A 76 5.786 -7.073 1.715 1.00 0.00 C ATOM 1128 CD GLN A 76 5.475 -7.812 3.002 1.00 0.00 C ATOM 1129 OE1 GLN A 76 6.258 -7.784 3.952 1.00 0.00 O ATOM 1130 NE2 GLN A 76 4.327 -8.479 3.039 1.00 0.00 N ATOM 0 H GLN A 76 7.589 -3.541 1.947 1.00 0.00 H new ATOM 0 HA GLN A 76 8.137 -5.951 0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.111 -5.822 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.715 -4.987 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.861 -6.907 1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.424 -7.696 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.708 -8.475 2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.064 -8.995 3.878 1.00 0.00 H new ATOM 1139 N LEU A 77 6.900 -5.950 -1.513 1.00 0.00 N ATOM 1140 CA LEU A 77 6.177 -6.007 -2.779 1.00 0.00 C ATOM 1141 C LEU A 77 5.469 -7.348 -2.943 1.00 0.00 C ATOM 1142 O LEU A 77 5.208 -7.791 -4.061 1.00 0.00 O ATOM 1143 CB LEU A 77 7.137 -5.778 -3.948 1.00 0.00 C ATOM 1144 CG LEU A 77 7.868 -4.435 -3.962 1.00 0.00 C ATOM 1145 CD1 LEU A 77 8.938 -4.422 -5.043 1.00 0.00 C ATOM 1146 CD2 LEU A 77 6.884 -3.294 -4.170 1.00 0.00 C ATOM 0 H LEU A 77 7.756 -6.505 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 77 5.425 -5.218 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.881 -6.574 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.576 -5.873 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 77 8.354 -4.297 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.448 -3.459 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.660 -5.216 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.474 -4.582 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.422 -2.346 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.369 -3.426 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.154 -3.291 -3.360 1.00 0.00 H new ATOM 1158 N SER A 78 5.160 -7.989 -1.820 1.00 0.00 N ATOM 1159 CA SER A 78 4.484 -9.281 -1.839 1.00 0.00 C ATOM 1160 C SER A 78 3.789 -9.549 -0.508 1.00 0.00 C ATOM 1161 O SER A 78 4.069 -8.892 0.494 1.00 0.00 O ATOM 1162 CB SER A 78 5.483 -10.399 -2.141 1.00 0.00 C ATOM 1163 OG SER A 78 6.134 -10.181 -3.380 1.00 0.00 O ATOM 0 H SER A 78 5.367 -7.635 -0.886 1.00 0.00 H new ATOM 0 HA SER A 78 3.729 -9.257 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.223 -10.455 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.965 -11.358 -2.163 1.00 0.00 H new ATOM 0 HG SER A 78 6.134 -11.012 -3.900 1.00 0.00 H new ATOM 1169 N GLN A 79 2.881 -10.521 -0.507 1.00 0.00 N ATOM 1170 CA GLN A 79 2.145 -10.877 0.701 1.00 0.00 C ATOM 1171 C GLN A 79 1.514 -12.258 0.566 1.00 0.00 C ATOM 1172 O GLN A 79 1.027 -12.628 -0.503 1.00 0.00 O ATOM 1173 CB GLN A 79 1.064 -9.834 0.990 1.00 0.00 C ATOM 1174 CG GLN A 79 0.241 -10.139 2.231 1.00 0.00 C ATOM 1175 CD GLN A 79 1.101 -10.369 3.459 1.00 0.00 C ATOM 1176 OE1 GLN A 79 2.262 -9.960 3.503 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.534 -11.025 4.465 1.00 0.00 N ATOM 0 H GLN A 79 2.638 -11.075 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 79 2.849 -10.900 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.535 -8.858 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.398 -9.765 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.443 -9.312 2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.370 -11.023 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.431 -11.346 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.063 -11.208 5.317 1.00 0.00 H new ATOM 1186 N LEU A 80 1.525 -13.017 1.656 1.00 0.00 N ATOM 1187 CA LEU A 80 0.952 -14.359 1.660 1.00 0.00 C ATOM 1188 C LEU A 80 -0.412 -14.367 2.343 1.00 0.00 C ATOM 1189 O LEU A 80 -0.509 -14.198 3.558 1.00 0.00 O ATOM 1190 CB LEU A 80 1.895 -15.334 2.367 1.00 0.00 C ATOM 1191 CG LEU A 80 1.532 -16.816 2.259 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.665 -17.294 0.821 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.409 -17.648 3.183 1.00 0.00 C ATOM 0 H LEU A 80 1.924 -12.726 2.548 1.00 0.00 H new ATOM 0 HA LEU A 80 0.821 -14.675 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.898 -15.196 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.937 -15.067 3.423 1.00 0.00 H new ATOM 0 HG LEU A 80 0.494 -16.940 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.403 -18.350 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.995 -16.718 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.693 -17.156 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.137 -18.700 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.455 -17.519 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.264 -17.322 4.213 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.461 -14.568 1.553 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.819 -14.602 2.082 1.00 0.00 C ATOM 1207 C ILE A 81 -3.218 -16.019 2.482 1.00 0.00 C ATOM 1208 O ILE A 81 -3.614 -16.823 1.640 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.836 -14.065 1.058 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.482 -12.630 0.660 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.245 -14.130 1.628 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.537 -11.652 1.813 1.00 0.00 C ATOM 0 H ILE A 81 -1.397 -14.710 0.545 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.830 -13.961 2.963 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.797 -14.690 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.480 -12.617 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.167 -12.298 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.953 -13.747 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.494 -15.164 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.299 -13.525 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.275 -10.655 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.545 -11.636 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.831 -11.959 2.585 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.111 -16.316 3.774 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.462 -17.635 4.285 1.00 0.00 C ATOM 1226 C GLU A 82 -4.889 -17.648 4.825 1.00 0.00 C ATOM 1227 O GLU A 82 -5.492 -16.598 5.039 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.485 -18.057 5.385 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.103 -18.419 4.866 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.138 -18.780 5.979 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -0.185 -18.125 7.041 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.664 -19.717 5.787 1.00 0.00 O ATOM 0 H GLU A 82 -2.784 -15.661 4.485 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.398 -18.344 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.392 -17.246 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.899 -18.913 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.187 -19.259 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.700 -17.580 4.299 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.423 -18.846 5.043 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.774 -18.974 5.555 1.00 0.00 C ATOM 1241 C GLY A 83 -7.807 -19.063 4.449 1.00 0.00 C ATOM 1242 O GLY A 83 -8.853 -18.415 4.512 1.00 0.00 O ATOM 0 H GLY A 83 -4.943 -19.730 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.839 -19.864 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.001 -18.119 6.192 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.515 -19.866 3.432 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.426 -20.037 2.305 1.00 0.00 C ATOM 1248 C LEU A 84 -8.868 -21.491 2.178 1.00 0.00 C ATOM 1249 O LEU A 84 -8.357 -22.369 2.874 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.756 -19.580 1.009 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.137 -18.182 1.029 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -6.011 -18.081 0.012 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -8.198 -17.125 0.759 1.00 0.00 C ATOM 0 H LEU A 84 -6.654 -20.409 3.364 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.308 -19.423 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.976 -20.297 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.495 -19.617 0.209 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.720 -18.005 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.583 -17.079 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.239 -18.812 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.403 -18.279 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.739 -16.136 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.645 -17.300 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.971 -17.181 1.526 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.818 -21.739 1.283 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.326 -23.088 1.061 1.00 0.00 C ATOM 1267 C ASP A 85 -9.878 -23.621 -0.296 1.00 0.00 C ATOM 1268 O ASP A 85 -9.578 -22.851 -1.208 1.00 0.00 O ATOM 1269 CB ASP A 85 -11.853 -23.101 1.149 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.352 -22.959 2.574 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -11.830 -23.667 3.460 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.265 -22.138 2.803 1.00 0.00 O ATOM 0 H ASP A 85 -10.252 -21.024 0.699 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.919 -23.736 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.256 -22.289 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.231 -24.032 0.726 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.834 -24.944 -0.421 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.420 -25.580 -1.665 1.00 0.00 C ATOM 1279 C ARG A 86 -10.558 -25.577 -2.682 1.00 0.00 C ATOM 1280 O ARG A 86 -11.728 -25.463 -2.320 1.00 0.00 O ATOM 1281 CB ARG A 86 -8.962 -27.016 -1.401 1.00 0.00 C ATOM 1282 CG ARG A 86 -9.980 -27.849 -0.639 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.704 -29.337 -0.786 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.518 -30.138 0.124 1.00 0.00 N ATOM 1285 CZ ARG A 86 -11.758 -30.528 -0.150 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -12.323 -30.194 -1.302 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -12.436 -31.255 0.729 1.00 0.00 N ATOM 0 H ARG A 86 -10.080 -25.595 0.324 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.587 -25.010 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.748 -27.501 -2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.029 -26.993 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.958 -27.576 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.982 -27.626 -1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.902 -29.642 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.649 -29.530 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.112 -30.413 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.805 -29.636 -1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.275 -30.495 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.005 -31.515 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.388 -31.554 0.517 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.205 -25.702 -3.958 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.207 -25.710 -5.008 1.00 0.00 C ATOM 1303 C GLY A 87 -12.190 -24.564 -4.879 1.00 0.00 C ATOM 1304 O GLY A 87 -13.403 -24.776 -4.855 1.00 0.00 O ATOM 0 H GLY A 87 -9.243 -25.798 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.713 -25.654 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.750 -26.655 -4.981 1.00 0.00 H new ATOM 1308 N THR A 88 -11.668 -23.344 -4.794 1.00 0.00 N ATOM 1309 CA THR A 88 -12.508 -22.160 -4.665 1.00 0.00 C ATOM 1310 C THR A 88 -11.842 -20.942 -5.295 1.00 0.00 C ATOM 1311 O THR A 88 -10.685 -20.638 -5.007 1.00 0.00 O ATOM 1312 CB THR A 88 -12.822 -21.853 -3.188 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.298 -23.034 -2.533 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.862 -20.749 -3.074 1.00 0.00 C ATOM 0 H THR A 88 -10.667 -23.150 -4.812 1.00 0.00 H new ATOM 0 HA THR A 88 -13.439 -22.374 -5.190 1.00 0.00 H new ATOM 0 HB THR A 88 -11.904 -21.516 -2.706 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.566 -23.680 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.067 -20.550 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.484 -19.843 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.781 -21.062 -3.570 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.581 -20.248 -6.155 1.00 0.00 N ATOM 1323 CA GLU A 89 -12.061 -19.063 -6.825 1.00 0.00 C ATOM 1324 C GLU A 89 -12.019 -17.873 -5.871 1.00 0.00 C ATOM 1325 O GLU A 89 -12.942 -17.660 -5.085 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.918 -18.722 -8.046 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.350 -17.596 -8.893 1.00 0.00 C ATOM 1328 CD GLU A 89 -13.298 -17.159 -9.994 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -13.445 -17.909 -10.982 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.892 -16.068 -9.867 1.00 0.00 O ATOM 0 H GLU A 89 -13.541 -20.486 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.044 -19.280 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.024 -19.613 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.918 -18.445 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.125 -16.743 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.408 -17.919 -9.337 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.941 -17.100 -5.946 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.776 -15.933 -5.088 1.00 0.00 C ATOM 1339 C TYR A 90 -10.228 -14.749 -5.878 1.00 0.00 C ATOM 1340 O TYR A 90 -9.489 -14.923 -6.846 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.841 -16.259 -3.922 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.354 -17.363 -3.025 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -11.460 -17.165 -2.207 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -9.733 -18.606 -2.997 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.931 -18.171 -1.386 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.199 -19.619 -2.180 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.297 -19.396 -1.377 1.00 0.00 C ATOM 1348 OH TYR A 90 -11.764 -20.401 -0.561 1.00 0.00 O ATOM 0 H TYR A 90 -10.168 -17.261 -6.592 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.756 -15.662 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.867 -16.547 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.690 -15.359 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.960 -16.208 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.872 -18.783 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.790 -17.999 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.706 -20.580 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.664 -20.175 -0.246 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.596 -13.543 -5.456 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.142 -12.328 -6.123 1.00 0.00 C ATOM 1360 C ASN A 91 -9.176 -11.549 -5.236 1.00 0.00 C ATOM 1361 O ASN A 91 -9.320 -11.525 -4.014 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.337 -11.447 -6.492 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.557 -12.260 -6.879 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -13.588 -12.210 -6.207 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.446 -13.013 -7.966 1.00 0.00 N ATOM 0 H ASN A 91 -11.207 -13.381 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.618 -12.617 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.585 -10.804 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.061 -10.794 -7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.234 -13.581 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.572 -13.023 -8.492 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.190 -10.913 -5.860 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.199 -10.133 -5.128 1.00 0.00 C ATOM 1374 C PHE A 92 -6.873 -8.837 -5.866 1.00 0.00 C ATOM 1375 O PHE A 92 -7.004 -8.756 -7.087 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.923 -10.952 -4.925 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.137 -12.209 -4.131 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.630 -13.352 -4.740 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.847 -12.247 -2.777 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.828 -14.511 -4.012 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.043 -13.403 -2.045 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.535 -14.536 -2.663 1.00 0.00 C ATOM 0 H PHE A 92 -8.056 -10.922 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.619 -9.880 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.510 -11.213 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.181 -10.334 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.862 -13.338 -5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.464 -11.364 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.211 -15.396 -4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.812 -13.420 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.690 -15.440 -2.092 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.449 -7.826 -5.114 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.107 -6.534 -5.696 1.00 0.00 C ATOM 1394 C ARG A 93 -5.148 -5.767 -4.789 1.00 0.00 C ATOM 1395 O ARG A 93 -5.389 -5.628 -3.590 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.371 -5.707 -5.935 1.00 0.00 C ATOM 1397 CG ARG A 93 -7.953 -5.103 -4.667 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.264 -4.384 -4.944 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.109 -3.327 -5.940 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.243 -3.523 -7.247 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -9.533 -4.730 -7.713 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.087 -2.511 -8.090 1.00 0.00 N ATOM 0 H ARG A 93 -6.334 -7.877 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.613 -6.713 -6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.143 -4.905 -6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.125 -6.339 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.117 -5.889 -3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.238 -4.404 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.006 -5.103 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.645 -3.956 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.886 -2.387 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.654 -5.510 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.635 -4.878 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.864 -1.581 -7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.190 -2.663 -9.093 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.061 -5.272 -5.370 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.066 -4.518 -4.616 1.00 0.00 C ATOM 1418 C VAL A 94 -3.202 -3.021 -4.869 1.00 0.00 C ATOM 1419 O VAL A 94 -3.591 -2.599 -5.958 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.635 -4.961 -4.974 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.612 -4.111 -4.237 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.440 -6.437 -4.660 1.00 0.00 C ATOM 0 H VAL A 94 -3.846 -5.379 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.248 -4.723 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.486 -4.818 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.393 -4.439 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.738 -3.065 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.756 -4.219 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.423 -6.733 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.608 -6.608 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.149 -7.029 -5.239 1.00 0.00 H new ATOM 1432 N ALA A 95 -2.877 -2.223 -3.857 1.00 0.00 N ATOM 1433 CA ALA A 95 -2.960 -0.772 -3.972 1.00 0.00 C ATOM 1434 C ALA A 95 -1.855 -0.095 -3.169 1.00 0.00 C ATOM 1435 O ALA A 95 -1.522 -0.526 -2.066 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.325 -0.284 -3.510 1.00 0.00 C ATOM 0 H ALA A 95 -2.554 -2.557 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.827 -0.506 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.373 0.801 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.101 -0.735 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.480 -0.568 -2.469 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.288 0.968 -3.732 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.221 1.706 -3.068 1.00 0.00 C ATOM 1444 C ALA A 96 -0.785 2.829 -2.205 1.00 0.00 C ATOM 1445 O ALA A 96 -1.811 3.426 -2.536 1.00 0.00 O ATOM 1446 CB ALA A 96 0.752 2.265 -4.096 1.00 0.00 C ATOM 0 H ALA A 96 -1.550 1.337 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 96 0.313 1.016 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.544 2.814 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.188 1.446 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.222 2.936 -4.771 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.110 3.113 -1.097 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.544 4.166 -0.184 1.00 0.00 C ATOM 1454 C LEU A 97 0.564 5.193 0.029 1.00 0.00 C ATOM 1455 O LEU A 97 1.733 4.838 0.185 1.00 0.00 O ATOM 1456 CB LEU A 97 -0.962 3.563 1.158 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.083 2.525 1.107 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -2.027 1.618 2.327 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.440 3.208 1.011 1.00 0.00 C ATOM 0 H LEU A 97 0.740 2.629 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.400 4.671 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.087 3.101 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.274 4.374 1.816 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.943 1.912 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.833 0.886 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.068 1.101 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.141 2.217 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.226 2.453 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.589 3.846 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.479 3.815 0.106 1.00 0.00 H new ATOM 1471 N THR A 98 0.188 6.468 0.037 1.00 0.00 N ATOM 1472 CA THR A 98 1.148 7.546 0.233 1.00 0.00 C ATOM 1473 C THR A 98 0.600 8.605 1.184 1.00 0.00 C ATOM 1474 O THR A 98 -0.579 8.583 1.538 1.00 0.00 O ATOM 1475 CB THR A 98 1.521 8.216 -1.103 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.380 8.888 -1.649 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.034 7.188 -2.099 1.00 0.00 C ATOM 0 H THR A 98 -0.775 6.779 -0.090 1.00 0.00 H new ATOM 0 HA THR A 98 2.041 7.098 0.668 1.00 0.00 H new ATOM 0 HB THR A 98 2.313 8.941 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.387 8.278 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.291 7.685 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.919 6.698 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.260 6.443 -2.284 1.00 0.00 H new ATOM 1485 N ILE A 99 1.462 9.530 1.592 1.00 0.00 N ATOM 1486 CA ILE A 99 1.063 10.597 2.500 1.00 0.00 C ATOM 1487 C ILE A 99 -0.101 11.399 1.928 1.00 0.00 C ATOM 1488 O ILE A 99 -0.807 12.094 2.658 1.00 0.00 O ATOM 1489 CB ILE A 99 2.234 11.553 2.795 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.762 12.720 3.665 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.840 12.064 1.497 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.893 13.569 4.203 1.00 0.00 C ATOM 0 H ILE A 99 2.441 9.562 1.308 1.00 0.00 H new ATOM 0 HA ILE A 99 0.751 10.120 3.429 1.00 0.00 H new ATOM 0 HB ILE A 99 3.002 11.005 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.092 13.350 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.183 12.328 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.666 12.738 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.208 11.222 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.080 12.598 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.485 14.377 4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.552 12.952 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.459 13.990 3.372 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.295 11.297 0.617 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.375 12.012 -0.054 1.00 0.00 C ATOM 1506 C ASN A 100 -2.727 11.385 0.273 1.00 0.00 C ATOM 1507 O ASN A 100 -3.775 11.987 0.040 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.152 12.011 -1.567 1.00 0.00 C ATOM 1509 CG ASN A 100 0.086 12.789 -1.970 1.00 0.00 C ATOM 1510 OD1 ASN A 100 0.013 13.979 -2.275 1.00 0.00 O ATOM 1511 ND2 ASN A 100 1.232 12.117 -1.972 1.00 0.00 N ATOM 0 H ASN A 100 0.281 10.726 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.375 13.041 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.062 10.983 -1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.024 12.440 -2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.098 12.587 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.245 11.131 -1.712 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.696 10.171 0.814 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.925 9.483 1.165 1.00 0.00 C ATOM 1520 C GLY A 101 -3.925 8.034 0.720 1.00 0.00 C ATOM 1521 O GLY A 101 -3.276 7.187 1.335 1.00 0.00 O ATOM 0 H GLY A 101 -1.842 9.651 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.068 9.528 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.770 10.000 0.710 1.00 0.00 H new ATOM 1525 N THR A 102 -4.657 7.746 -0.352 1.00 0.00 N ATOM 1526 CA THR A 102 -4.741 6.389 -0.877 1.00 0.00 C ATOM 1527 C THR A 102 -4.445 6.358 -2.372 1.00 0.00 C ATOM 1528 O THR A 102 -4.693 7.330 -3.084 1.00 0.00 O ATOM 1529 CB THR A 102 -6.133 5.776 -0.629 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.643 6.215 0.635 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.067 4.256 -0.655 1.00 0.00 C ATOM 0 H THR A 102 -5.200 8.434 -0.873 1.00 0.00 H new ATOM 0 HA THR A 102 -3.992 5.799 -0.349 1.00 0.00 H new ATOM 0 HB THR A 102 -6.800 6.109 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.528 5.823 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.061 3.846 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.706 3.924 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.387 3.908 0.122 1.00 0.00 H new ATOM 1539 N GLY A 103 -3.912 5.234 -2.842 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.591 5.098 -4.251 1.00 0.00 C ATOM 1541 C GLY A 103 -4.539 4.162 -4.974 1.00 0.00 C ATOM 1542 O GLY A 103 -5.489 3.635 -4.394 1.00 0.00 O ATOM 0 H GLY A 103 -3.697 4.416 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.623 6.079 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.571 4.728 -4.354 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.286 3.944 -6.273 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.114 3.066 -7.105 1.00 0.00 C ATOM 1548 C PRO A 104 -4.960 1.596 -6.728 1.00 0.00 C ATOM 1549 O PRO A 104 -4.034 1.225 -6.006 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.584 3.313 -8.519 1.00 0.00 C ATOM 1551 CG PRO A 104 -3.180 3.771 -8.323 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.172 4.539 -7.030 1.00 0.00 C ATOM 0 HA PRO A 104 -6.177 3.279 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.624 2.405 -9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.177 4.066 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.496 2.924 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.855 4.399 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.224 4.429 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.323 5.606 -7.195 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.871 0.765 -7.221 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.834 -0.665 -6.937 1.00 0.00 C ATOM 1562 C ALA A 105 -5.892 -1.481 -8.224 1.00 0.00 C ATOM 1563 O ALA A 105 -6.800 -1.313 -9.038 1.00 0.00 O ATOM 1564 CB ALA A 105 -6.981 -1.049 -6.014 1.00 0.00 C ATOM 0 H ALA A 105 -6.644 1.056 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.891 -0.888 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.941 -2.119 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.895 -0.498 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.930 -0.806 -6.492 1.00 0.00 H new ATOM 1570 N THR A 106 -4.917 -2.367 -8.402 1.00 0.00 N ATOM 1571 CA THR A 106 -4.856 -3.208 -9.590 1.00 0.00 C ATOM 1572 C THR A 106 -6.217 -3.820 -9.901 1.00 0.00 C ATOM 1573 O THR A 106 -7.090 -3.888 -9.036 1.00 0.00 O ATOM 1574 CB THR A 106 -3.823 -4.339 -9.425 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.156 -5.145 -8.290 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.421 -3.771 -9.257 1.00 0.00 C ATOM 0 H THR A 106 -4.158 -2.520 -7.738 1.00 0.00 H new ATOM 0 HA THR A 106 -4.552 -2.566 -10.417 1.00 0.00 H new ATOM 0 HB THR A 106 -3.843 -4.954 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.611 -5.960 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.709 -4.588 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.159 -3.182 -10.136 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.390 -3.135 -8.372 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.391 -4.264 -11.141 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.646 -4.872 -11.566 1.00 0.00 C ATOM 1586 C ASP A 107 -7.992 -6.073 -10.690 1.00 0.00 C ATOM 1587 O ASP A 107 -7.234 -6.437 -9.791 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.559 -5.303 -13.031 1.00 0.00 C ATOM 1589 CG ASP A 107 -8.923 -5.430 -13.679 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -9.490 -4.391 -14.077 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -9.425 -6.569 -13.788 1.00 0.00 O ATOM 0 H ASP A 107 -5.679 -4.214 -11.869 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.435 -4.128 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.963 -4.578 -13.585 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.039 -6.259 -13.095 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.142 -6.681 -10.958 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.589 -7.840 -10.193 1.00 0.00 C ATOM 1598 C TRP A 108 -9.030 -9.130 -10.782 1.00 0.00 C ATOM 1599 O TRP A 108 -9.561 -9.659 -11.760 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.117 -7.898 -10.163 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.722 -7.075 -9.066 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.595 -6.034 -9.209 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.496 -7.222 -7.660 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.925 -5.526 -7.976 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.266 -6.237 -7.010 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.721 -8.091 -6.887 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.280 -6.099 -5.624 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.736 -7.952 -5.512 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.512 -6.963 -4.892 1.00 0.00 C ATOM 0 H TRP A 108 -9.781 -6.391 -11.698 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.216 -7.737 -9.174 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.505 -7.554 -11.122 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.432 -8.935 -10.045 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -12.970 -5.665 -10.152 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.559 -4.745 -7.808 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.121 -8.857 -7.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.876 -5.337 -5.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.140 -8.617 -4.905 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.504 -6.881 -3.815 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.956 -9.633 -10.183 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.325 -10.863 -10.649 1.00 0.00 C ATOM 1622 C LEU A 109 -7.796 -12.061 -9.831 1.00 0.00 C ATOM 1623 O LEU A 109 -7.513 -12.159 -8.637 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.802 -10.741 -10.566 1.00 0.00 C ATOM 1625 CG LEU A 109 -5.007 -11.573 -11.573 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.354 -11.164 -12.996 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.513 -11.426 -11.324 1.00 0.00 C ATOM 0 H LEU A 109 -7.504 -9.208 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.615 -11.020 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.534 -9.693 -10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.489 -11.026 -9.562 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.276 -12.621 -11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.779 -11.767 -13.698 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.418 -11.321 -13.170 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.114 -10.111 -13.141 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.963 -12.025 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.228 -10.379 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.277 -11.769 -10.317 1.00 0.00 H new ATOM 1639 N SER A 110 -8.515 -12.970 -10.482 1.00 0.00 N ATOM 1640 CA SER A 110 -9.027 -14.161 -9.815 1.00 0.00 C ATOM 1641 C SER A 110 -8.013 -15.299 -9.882 1.00 0.00 C ATOM 1642 O SER A 110 -7.178 -15.348 -10.784 1.00 0.00 O ATOM 1643 CB SER A 110 -10.347 -14.600 -10.451 1.00 0.00 C ATOM 1644 OG SER A 110 -10.640 -15.950 -10.136 1.00 0.00 O ATOM 0 H SER A 110 -8.756 -12.904 -11.471 1.00 0.00 H new ATOM 0 HA SER A 110 -9.201 -13.914 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.155 -13.958 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.291 -14.480 -11.533 1.00 0.00 H new ATOM 0 HG SER A 110 -10.862 -16.437 -10.957 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.094 -16.212 -8.920 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.186 -17.351 -8.870 1.00 0.00 C ATOM 1652 C ALA A 111 -7.864 -18.567 -8.248 1.00 0.00 C ATOM 1653 O ALA A 111 -8.463 -18.475 -7.177 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.929 -16.991 -8.091 1.00 0.00 C ATOM 0 H ALA A 111 -8.779 -16.185 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.907 -17.606 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.260 -17.851 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.425 -16.156 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.200 -16.708 -7.074 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.767 -19.706 -8.928 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.374 -20.939 -8.442 1.00 0.00 C ATOM 1662 C GLU A 112 -7.341 -21.811 -7.734 1.00 0.00 C ATOM 1663 O GLU A 112 -6.371 -22.264 -8.343 1.00 0.00 O ATOM 1664 CB GLU A 112 -9.004 -21.715 -9.601 1.00 0.00 C ATOM 1665 CG GLU A 112 -10.124 -22.648 -9.172 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.716 -23.422 -10.333 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -11.591 -22.868 -11.031 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -10.304 -24.582 -10.545 1.00 0.00 O ATOM 0 H GLU A 112 -7.274 -19.800 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.152 -20.673 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.393 -21.007 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.230 -22.297 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.743 -23.349 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.910 -22.068 -8.689 1.00 0.00 H new ATOM 1675 N THR A 113 -7.556 -22.043 -6.443 1.00 0.00 N ATOM 1676 CA THR A 113 -6.645 -22.858 -5.650 1.00 0.00 C ATOM 1677 C THR A 113 -6.585 -24.287 -6.178 1.00 0.00 C ATOM 1678 O THR A 113 -7.393 -24.683 -7.018 1.00 0.00 O ATOM 1679 CB THR A 113 -7.062 -22.888 -4.168 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.490 -22.931 -4.061 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.531 -21.668 -3.431 1.00 0.00 C ATOM 0 H THR A 113 -8.354 -21.677 -5.924 1.00 0.00 H new ATOM 0 HA THR A 113 -5.659 -22.401 -5.733 1.00 0.00 H new ATOM 0 HB THR A 113 -6.636 -23.782 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.781 -22.343 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.839 -21.712 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.443 -21.653 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.931 -20.763 -3.889 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.623 -25.057 -5.680 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.457 -26.443 -6.102 1.00 0.00 C ATOM 1691 C PHE A 114 -6.422 -27.358 -5.354 1.00 0.00 C ATOM 1692 O PHE A 114 -6.397 -27.431 -4.126 1.00 0.00 O ATOM 1693 CB PHE A 114 -4.016 -26.901 -5.868 1.00 0.00 C ATOM 1694 CG PHE A 114 -2.995 -26.039 -6.554 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.841 -26.086 -7.930 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.188 -25.183 -5.822 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.902 -25.294 -8.564 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.247 -24.389 -6.450 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.103 -24.445 -7.823 1.00 0.00 C ATOM 0 H PHE A 114 -4.946 -24.744 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.680 -26.502 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.814 -26.907 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.908 -27.927 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.462 -26.749 -8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.296 -25.136 -4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.793 -25.339 -9.638 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.625 -23.725 -5.868 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.367 -23.826 -8.316 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.270 -28.054 -6.104 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.244 -28.964 -5.512 1.00 0.00 C ATOM 1711 C GLU A 115 -7.651 -29.683 -4.304 1.00 0.00 C ATOM 1712 O GLU A 115 -8.337 -29.915 -3.308 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.716 -29.987 -6.548 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.835 -29.477 -7.440 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.241 -30.484 -8.499 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -9.966 -31.687 -8.309 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -10.832 -30.069 -9.518 1.00 0.00 O ATOM 0 H GLU A 115 -7.303 -28.005 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.099 -28.375 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.870 -30.278 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.055 -30.885 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.701 -29.232 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.516 -28.554 -7.925 1.00 0.00 H new ATOM 1724 N SER A 116 -6.373 -30.034 -4.400 1.00 0.00 N ATOM 1725 CA SER A 116 -5.688 -30.731 -3.317 1.00 0.00 C ATOM 1726 C SER A 116 -4.302 -30.140 -3.082 1.00 0.00 C ATOM 1727 O SER A 116 -3.854 -29.264 -3.822 1.00 0.00 O ATOM 1728 CB SER A 116 -5.572 -32.223 -3.636 1.00 0.00 C ATOM 1729 OG SER A 116 -6.799 -32.892 -3.401 1.00 0.00 O ATOM 0 H SER A 116 -5.791 -29.847 -5.216 1.00 0.00 H new ATOM 0 HA SER A 116 -6.276 -30.606 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.277 -32.354 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.788 -32.669 -3.024 1.00 0.00 H new ATOM 0 HG SER A 116 -6.699 -33.843 -3.614 1.00 0.00 H new