USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 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 92 SER OG : rot 160:sc= 0.381 USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -1.93 K(o=-10,f=-13!) USER MOD Set 2.2: A 58 GLN :FLIP amide:sc= -3.88! C(o=-13!,f=-10!) USER MOD Set 2.3: A 80 HIS : no HD1:sc= -4.57! C(o=-10!,f=-13!) USER MOD Single : A 22 GLN : amide:sc= -4.49! C(o=-4.5!,f=-4!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.23) USER MOD Single : A 28 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-6!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.403 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 85:sc= 0.323 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 72 HIS : no HE2:sc= 0.0822 K(o=0.082,f=-4.5!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 75 CYS SG : rot -86:sc= -1.62! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 110:sc= 0.801 USER MOD Single : A 89 THR OG1 : rot 180:sc=0.000677 USER MOD Single : A 93 CYS SG : rot 39:sc= 0.32 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -155:sc= 0.00116 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -6.030 -2.047 -15.553 1.00 1.00 N ATOM 224 CA ARG A 15 -5.200 -3.123 -16.106 1.00 1.00 C ATOM 225 C ARG A 15 -4.326 -3.706 -15.017 1.00 1.00 C ATOM 226 O ARG A 15 -3.759 -2.976 -14.202 1.00 1.00 O ATOM 227 CB ARG A 15 -4.310 -2.596 -17.236 1.00 1.00 C ATOM 228 CG ARG A 15 -5.183 -2.121 -18.403 1.00 1.00 C ATOM 229 CD ARG A 15 -4.291 -1.617 -19.542 1.00 1.00 C ATOM 230 NE ARG A 15 -3.521 -2.728 -20.098 1.00 1.00 N ATOM 231 CZ ARG A 15 -2.626 -2.540 -21.068 1.00 1.00 C ATOM 232 NH1 ARG A 15 -2.412 -1.339 -21.539 1.00 1.00 N ATOM 233 NH2 ARG A 15 -1.961 -3.555 -21.544 1.00 1.00 N ATOM 0 HA ARG A 15 -5.860 -3.893 -16.505 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -3.693 -1.774 -16.873 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.631 -3.379 -17.573 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -5.812 -2.938 -18.755 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -5.850 -1.325 -18.071 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.903 -1.161 -20.321 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -3.617 -0.844 -19.173 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.672 -3.669 -19.735 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -2.930 -0.544 -21.164 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -1.727 -1.197 -22.281 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.126 -4.491 -21.174 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -1.276 -3.413 -22.286 1.00 1.00 H new ATOM 247 N LEU A 16 -4.212 -5.034 -15.033 1.00 1.00 N ATOM 248 CA LEU A 16 -3.391 -5.774 -14.074 1.00 1.00 C ATOM 249 C LEU A 16 -2.339 -6.588 -14.833 1.00 1.00 C ATOM 250 O LEU A 16 -2.663 -7.368 -15.723 1.00 1.00 O ATOM 251 CB LEU A 16 -4.286 -6.710 -13.225 1.00 1.00 C ATOM 252 CG LEU A 16 -3.443 -7.631 -12.296 1.00 1.00 C ATOM 253 CD1 LEU A 16 -2.570 -6.799 -11.326 1.00 1.00 C ATOM 254 CD2 LEU A 16 -4.394 -8.562 -11.513 1.00 1.00 C ATOM 0 H LEU A 16 -4.687 -5.628 -15.712 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.889 -5.075 -13.405 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -4.968 -6.111 -12.621 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -4.899 -7.323 -13.885 1.00 1.00 H new ATOM 0 HG LEU A 16 -2.768 -8.230 -12.907 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -1.993 -7.470 -10.690 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.891 -6.168 -11.899 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -3.211 -6.173 -10.706 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -3.811 -9.211 -10.859 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -5.078 -7.962 -10.913 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -4.965 -9.171 -12.214 1.00 1.00 H new ATOM 266 N GLY A 17 -1.083 -6.429 -14.417 1.00 1.00 N ATOM 267 CA GLY A 17 0.035 -7.166 -15.000 1.00 1.00 C ATOM 268 C GLY A 17 0.124 -8.560 -14.384 1.00 1.00 C ATOM 269 O GLY A 17 -0.320 -8.777 -13.256 1.00 1.00 O ATOM 0 H GLY A 17 -0.814 -5.789 -13.670 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -0.095 -7.245 -16.079 1.00 1.00 H new ATOM 0 HA3 GLY A 17 0.966 -6.625 -14.830 1.00 1.00 H new ATOM 273 N ALA A 18 0.694 -9.502 -15.135 1.00 1.00 N ATOM 274 CA ALA A 18 0.838 -10.885 -14.670 1.00 1.00 C ATOM 275 C ALA A 18 1.753 -11.660 -15.616 1.00 1.00 C ATOM 276 O ALA A 18 1.335 -12.628 -16.258 1.00 1.00 O ATOM 277 CB ALA A 18 -0.539 -11.561 -14.609 1.00 1.00 C ATOM 0 H ALA A 18 1.065 -9.334 -16.070 1.00 1.00 H new ATOM 0 HA ALA A 18 1.278 -10.880 -13.673 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.425 -12.588 -14.263 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.182 -11.015 -13.919 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.989 -11.561 -15.602 1.00 1.00 H new ATOM 283 N ARG A 19 3.009 -11.226 -15.707 1.00 1.00 N ATOM 284 CA ARG A 19 3.982 -11.877 -16.582 1.00 1.00 C ATOM 285 C ARG A 19 4.400 -13.220 -15.993 1.00 1.00 C ATOM 286 O ARG A 19 4.690 -13.318 -14.799 1.00 1.00 O ATOM 287 CB ARG A 19 5.202 -10.961 -16.763 1.00 1.00 C ATOM 288 CG ARG A 19 5.909 -10.723 -15.404 1.00 1.00 C ATOM 289 CD ARG A 19 6.971 -9.625 -15.543 1.00 1.00 C ATOM 290 NE ARG A 19 7.996 -10.052 -16.499 1.00 1.00 N ATOM 291 CZ ARG A 19 8.903 -10.989 -16.195 1.00 1.00 C ATOM 292 NH1 ARG A 19 8.900 -11.557 -15.016 1.00 1.00 N ATOM 293 NH2 ARG A 19 9.789 -11.347 -17.083 1.00 1.00 N ATOM 0 H ARG A 19 3.376 -10.429 -15.187 1.00 1.00 H new ATOM 0 HA ARG A 19 3.529 -12.058 -17.557 1.00 1.00 H new ATOM 0 HB2 ARG A 19 5.900 -11.411 -17.469 1.00 1.00 H new ATOM 0 HB3 ARG A 19 4.888 -10.008 -17.188 1.00 1.00 H new ATOM 0 HG2 ARG A 19 5.176 -10.436 -14.650 1.00 1.00 H new ATOM 0 HG3 ARG A 19 6.374 -11.647 -15.061 1.00 1.00 H new ATOM 0 HD2 ARG A 19 6.508 -8.698 -15.881 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.426 -9.420 -14.574 1.00 1.00 H new ATOM 0 HE ARG A 19 8.019 -9.623 -17.424 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.204 -11.287 -14.321 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.594 -12.270 -14.792 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.790 -10.913 -18.006 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.481 -12.060 -16.854 1.00 1.00 H new ATOM 307 N LEU A 20 4.404 -14.259 -16.835 1.00 1.00 N ATOM 308 CA LEU A 20 4.769 -15.613 -16.416 1.00 1.00 C ATOM 309 C LEU A 20 6.068 -16.018 -17.089 1.00 1.00 C ATOM 310 O LEU A 20 6.392 -15.543 -18.182 1.00 1.00 O ATOM 311 CB LEU A 20 3.641 -16.593 -16.785 1.00 1.00 C ATOM 312 CG LEU A 20 2.286 -16.073 -16.248 1.00 1.00 C ATOM 313 CD1 LEU A 20 1.187 -17.086 -16.613 1.00 1.00 C ATOM 314 CD2 LEU A 20 2.338 -15.839 -14.708 1.00 1.00 C ATOM 0 H LEU A 20 4.155 -14.184 -17.821 1.00 1.00 H new ATOM 0 HA LEU A 20 4.910 -15.637 -15.335 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.591 -16.710 -17.867 1.00 1.00 H new ATOM 0 HB3 LEU A 20 3.853 -17.577 -16.367 1.00 1.00 H new ATOM 0 HG LEU A 20 2.064 -15.110 -16.708 1.00 1.00 H new ATOM 0 HD11 LEU A 20 0.226 -16.731 -16.240 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.138 -17.195 -17.696 1.00 1.00 H new ATOM 0 HD13 LEU A 20 1.417 -18.051 -16.162 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.371 -15.474 -14.363 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.572 -16.777 -14.205 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.107 -15.102 -14.478 1.00 1.00 H new ATOM 326 N VAL A 21 6.796 -16.920 -16.426 1.00 1.00 N ATOM 327 CA VAL A 21 8.067 -17.434 -16.937 1.00 1.00 C ATOM 328 C VAL A 21 7.802 -18.757 -17.646 1.00 1.00 C ATOM 329 O VAL A 21 7.050 -19.601 -17.162 1.00 1.00 O ATOM 330 CB VAL A 21 9.078 -17.622 -15.779 1.00 1.00 C ATOM 331 CG1 VAL A 21 9.499 -16.249 -15.235 1.00 1.00 C ATOM 332 CG2 VAL A 21 8.441 -18.443 -14.641 1.00 1.00 C ATOM 0 H VAL A 21 6.522 -17.312 -15.525 1.00 1.00 H new ATOM 0 HA VAL A 21 8.501 -16.723 -17.641 1.00 1.00 H new ATOM 0 HB VAL A 21 9.950 -18.154 -16.159 1.00 1.00 H new ATOM 0 HG11 VAL A 21 10.210 -16.383 -14.420 1.00 1.00 H new ATOM 0 HG12 VAL A 21 9.965 -15.669 -16.032 1.00 1.00 H new ATOM 0 HG13 VAL A 21 8.621 -15.719 -14.866 1.00 1.00 H new ATOM 0 HG21 VAL A 21 9.163 -18.567 -13.834 1.00 1.00 H new ATOM 0 HG22 VAL A 21 7.562 -17.921 -14.264 1.00 1.00 H new ATOM 0 HG23 VAL A 21 8.147 -19.422 -15.019 1.00 1.00 H new ATOM 342 N GLN A 22 8.417 -18.925 -18.813 1.00 1.00 N ATOM 343 CA GLN A 22 8.249 -20.145 -19.600 1.00 1.00 C ATOM 344 C GLN A 22 9.109 -21.256 -19.002 1.00 1.00 C ATOM 345 O GLN A 22 10.274 -21.046 -18.660 1.00 1.00 O ATOM 346 CB GLN A 22 8.627 -19.883 -21.081 1.00 1.00 C ATOM 347 CG GLN A 22 8.158 -21.050 -21.995 1.00 1.00 C ATOM 348 CD GLN A 22 8.966 -22.321 -21.721 1.00 1.00 C ATOM 349 OE1 GLN A 22 10.191 -22.261 -21.613 1.00 1.00 O ATOM 350 NE2 GLN A 22 8.352 -23.466 -21.584 1.00 1.00 N ATOM 0 H GLN A 22 9.036 -18.233 -19.235 1.00 1.00 H new ATOM 0 HA GLN A 22 7.205 -20.458 -19.572 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.173 -18.950 -21.416 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.707 -19.761 -21.168 1.00 1.00 H new ATOM 0 HG2 GLN A 22 7.099 -21.245 -21.827 1.00 1.00 H new ATOM 0 HG3 GLN A 22 8.267 -20.764 -23.041 1.00 1.00 H new ATOM 0 HE21 GLN A 22 7.337 -23.514 -21.674 1.00 1.00 H new ATOM 0 HE22 GLN A 22 8.888 -24.312 -21.387 1.00 1.00 H new ATOM 359 N GLU A 23 8.517 -22.444 -18.893 1.00 1.00 N ATOM 360 CA GLU A 23 9.211 -23.608 -18.346 1.00 1.00 C ATOM 361 C GLU A 23 8.399 -24.883 -18.614 1.00 1.00 C ATOM 362 O GLU A 23 7.302 -25.058 -18.084 1.00 1.00 O ATOM 363 CB GLU A 23 9.451 -23.417 -16.823 1.00 1.00 C ATOM 364 CG GLU A 23 8.205 -22.819 -16.142 1.00 1.00 C ATOM 365 CD GLU A 23 8.427 -22.720 -14.633 1.00 1.00 C ATOM 366 OE1 GLU A 23 8.246 -23.722 -13.961 1.00 1.00 O ATOM 367 OE2 GLU A 23 8.770 -21.644 -14.173 1.00 1.00 O ATOM 0 H GLU A 23 7.555 -22.626 -19.178 1.00 1.00 H new ATOM 0 HA GLU A 23 10.179 -23.709 -18.838 1.00 1.00 H new ATOM 0 HB2 GLU A 23 9.695 -24.376 -16.366 1.00 1.00 H new ATOM 0 HB3 GLU A 23 10.307 -22.761 -16.665 1.00 1.00 H new ATOM 0 HG2 GLU A 23 7.996 -21.831 -16.552 1.00 1.00 H new ATOM 0 HG3 GLU A 23 7.334 -23.441 -16.349 1.00 1.00 H new ATOM 374 N GLY A 24 8.939 -25.777 -19.446 1.00 1.00 N ATOM 375 CA GLY A 24 8.249 -27.019 -19.768 1.00 1.00 C ATOM 376 C GLY A 24 7.032 -26.722 -20.615 1.00 1.00 C ATOM 377 O GLY A 24 6.955 -25.669 -21.251 1.00 1.00 O ATOM 0 H GLY A 24 9.844 -25.662 -19.903 1.00 1.00 H new ATOM 0 HA2 GLY A 24 8.920 -27.691 -20.302 1.00 1.00 H new ATOM 0 HA3 GLY A 24 7.951 -27.528 -18.852 1.00 1.00 H new ATOM 381 N ASN A 25 6.076 -27.653 -20.633 1.00 1.00 N ATOM 382 CA ASN A 25 4.851 -27.484 -21.423 1.00 1.00 C ATOM 383 C ASN A 25 3.750 -26.860 -20.569 1.00 1.00 C ATOM 384 O ASN A 25 2.589 -26.815 -20.979 1.00 1.00 O ATOM 385 CB ASN A 25 4.382 -28.853 -21.934 1.00 1.00 C ATOM 386 CG ASN A 25 5.451 -29.473 -22.825 1.00 1.00 C ATOM 387 OD1 ASN A 25 5.731 -28.959 -23.907 1.00 1.00 O ATOM 388 ND2 ASN A 25 6.072 -30.550 -22.430 1.00 1.00 N ATOM 0 H ASN A 25 6.124 -28.529 -20.112 1.00 1.00 H new ATOM 0 HA ASN A 25 5.062 -26.825 -22.265 1.00 1.00 H new ATOM 0 HB2 ASN A 25 4.172 -29.512 -21.092 1.00 1.00 H new ATOM 0 HB3 ASN A 25 3.452 -28.743 -22.491 1.00 1.00 H new ATOM 0 HD21 ASN A 25 6.792 -30.968 -23.019 1.00 1.00 H new ATOM 0 HD22 ASN A 25 5.837 -30.974 -21.532 1.00 1.00 H new ATOM 395 N GLN A 26 4.126 -26.393 -19.369 1.00 1.00 N ATOM 396 CA GLN A 26 3.180 -25.776 -18.424 1.00 1.00 C ATOM 397 C GLN A 26 3.737 -24.446 -17.923 1.00 1.00 C ATOM 398 O GLN A 26 4.921 -24.336 -17.600 1.00 1.00 O ATOM 399 CB GLN A 26 2.954 -26.724 -17.229 1.00 1.00 C ATOM 400 CG GLN A 26 2.412 -28.081 -17.716 1.00 1.00 C ATOM 401 CD GLN A 26 1.043 -27.914 -18.375 1.00 1.00 C ATOM 402 OE1 GLN A 26 0.157 -27.272 -17.809 1.00 1.00 O ATOM 403 NE2 GLN A 26 0.820 -28.447 -19.545 1.00 1.00 N ATOM 0 H GLN A 26 5.086 -26.431 -19.027 1.00 1.00 H new ATOM 0 HA GLN A 26 2.232 -25.597 -18.932 1.00 1.00 H new ATOM 0 HB2 GLN A 26 3.890 -26.871 -16.691 1.00 1.00 H new ATOM 0 HB3 GLN A 26 2.251 -26.275 -16.528 1.00 1.00 H new ATOM 0 HG2 GLN A 26 3.111 -28.523 -18.426 1.00 1.00 H new ATOM 0 HG3 GLN A 26 2.334 -28.770 -16.875 1.00 1.00 H new ATOM 0 HE21 GLN A 26 1.555 -28.978 -20.012 1.00 1.00 H new ATOM 0 HE22 GLN A 26 -0.089 -28.332 -19.993 1.00 1.00 H new ATOM 412 N LEU A 27 2.866 -23.436 -17.850 1.00 1.00 N ATOM 413 CA LEU A 27 3.247 -22.107 -17.381 1.00 1.00 C ATOM 414 C LEU A 27 3.050 -22.042 -15.873 1.00 1.00 C ATOM 415 O LEU A 27 2.041 -22.507 -15.341 1.00 1.00 O ATOM 416 CB LEU A 27 2.374 -21.043 -18.097 1.00 1.00 C ATOM 417 CG LEU A 27 2.933 -20.737 -19.511 1.00 1.00 C ATOM 418 CD1 LEU A 27 3.022 -22.028 -20.359 1.00 1.00 C ATOM 419 CD2 LEU A 27 2.028 -19.697 -20.196 1.00 1.00 C ATOM 0 H LEU A 27 1.884 -23.518 -18.113 1.00 1.00 H new ATOM 0 HA LEU A 27 4.294 -21.907 -17.609 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.347 -21.401 -18.176 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.348 -20.128 -17.505 1.00 1.00 H new ATOM 0 HG LEU A 27 3.941 -20.334 -19.419 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.417 -21.788 -21.346 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.683 -22.741 -19.867 1.00 1.00 H new ATOM 0 HD13 LEU A 27 2.029 -22.465 -20.462 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.415 -19.477 -21.191 1.00 1.00 H new ATOM 0 HD22 LEU A 27 1.016 -20.094 -20.280 1.00 1.00 H new ATOM 0 HD23 LEU A 27 2.011 -18.783 -19.603 1.00 1.00 H new ATOM 431 N HIS A 28 4.031 -21.466 -15.189 1.00 1.00 N ATOM 432 CA HIS A 28 3.984 -21.337 -13.744 1.00 1.00 C ATOM 433 C HIS A 28 3.314 -20.026 -13.358 1.00 1.00 C ATOM 434 O HIS A 28 3.849 -18.951 -13.641 1.00 1.00 O ATOM 435 CB HIS A 28 5.423 -21.349 -13.181 1.00 1.00 C ATOM 436 CG HIS A 28 5.361 -21.519 -11.680 1.00 1.00 C ATOM 437 ND1 HIS A 28 4.179 -21.344 -10.975 1.00 1.00 N ATOM 438 CD2 HIS A 28 6.302 -21.876 -10.753 1.00 1.00 C ATOM 439 CE1 HIS A 28 4.436 -21.594 -9.683 1.00 1.00 C ATOM 440 NE2 HIS A 28 5.716 -21.924 -9.490 1.00 1.00 N ATOM 0 H HIS A 28 4.872 -21.080 -15.618 1.00 1.00 H new ATOM 0 HA HIS A 28 3.414 -22.170 -13.333 1.00 1.00 H new ATOM 0 HB2 HIS A 28 5.996 -22.161 -13.629 1.00 1.00 H new ATOM 0 HB3 HIS A 28 5.934 -20.420 -13.434 1.00 1.00 H new ATOM 0 HD2 HIS A 28 7.339 -22.088 -10.967 1.00 1.00 H new ATOM 0 HE1 HIS A 28 3.699 -21.536 -8.896 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.168 -22.161 -8.607 1.00 1.00 H new ATOM 449 N TYR A 29 2.160 -20.115 -12.687 1.00 1.00 N ATOM 450 CA TYR A 29 1.431 -18.925 -12.232 1.00 1.00 C ATOM 451 C TYR A 29 1.760 -18.676 -10.760 1.00 1.00 C ATOM 452 O TYR A 29 1.274 -19.379 -9.875 1.00 1.00 O ATOM 453 CB TYR A 29 -0.082 -19.134 -12.401 1.00 1.00 C ATOM 454 CG TYR A 29 -0.813 -17.845 -12.036 1.00 1.00 C ATOM 455 CD1 TYR A 29 -1.196 -17.597 -10.706 1.00 1.00 C ATOM 456 CD2 TYR A 29 -1.080 -16.887 -13.026 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.846 -16.401 -10.377 1.00 1.00 C ATOM 458 CE2 TYR A 29 -1.731 -15.698 -12.693 1.00 1.00 C ATOM 459 CZ TYR A 29 -2.112 -15.454 -11.371 1.00 1.00 C ATOM 460 OH TYR A 29 -2.755 -14.279 -11.047 1.00 1.00 O ATOM 0 H TYR A 29 1.711 -20.999 -12.447 1.00 1.00 H new ATOM 0 HA TYR A 29 1.731 -18.064 -12.829 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.309 -19.416 -13.429 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.421 -19.951 -11.764 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -0.989 -18.328 -9.939 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -0.781 -17.070 -14.048 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -2.142 -16.210 -9.356 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -1.941 -14.965 -13.458 1.00 1.00 H new ATOM 0 HH TYR A 29 -2.861 -13.731 -11.853 1.00 1.00 H new ATOM 470 N LEU A 30 2.601 -17.671 -10.509 1.00 1.00 N ATOM 471 CA LEU A 30 3.016 -17.324 -9.153 1.00 1.00 C ATOM 472 C LEU A 30 2.105 -16.244 -8.580 1.00 1.00 C ATOM 473 O LEU A 30 2.070 -15.113 -9.073 1.00 1.00 O ATOM 474 CB LEU A 30 4.474 -16.810 -9.192 1.00 1.00 C ATOM 475 CG LEU A 30 5.461 -17.941 -9.632 1.00 1.00 C ATOM 476 CD1 LEU A 30 6.775 -17.320 -10.157 1.00 1.00 C ATOM 477 CD2 LEU A 30 5.805 -18.877 -8.444 1.00 1.00 C ATOM 0 H LEU A 30 3.009 -17.081 -11.234 1.00 1.00 H new ATOM 0 HA LEU A 30 2.949 -18.207 -8.517 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.548 -15.970 -9.883 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.758 -16.439 -8.207 1.00 1.00 H new ATOM 0 HG LEU A 30 4.972 -18.519 -10.416 1.00 1.00 H new ATOM 0 HD11 LEU A 30 7.457 -18.114 -10.461 1.00 1.00 H new ATOM 0 HD12 LEU A 30 6.559 -16.680 -11.012 1.00 1.00 H new ATOM 0 HD13 LEU A 30 7.238 -16.727 -9.368 1.00 1.00 H new ATOM 0 HD21 LEU A 30 6.493 -19.653 -8.780 1.00 1.00 H new ATOM 0 HD22 LEU A 30 6.272 -18.298 -7.648 1.00 1.00 H new ATOM 0 HD23 LEU A 30 4.892 -19.339 -8.068 1.00 1.00 H new ATOM 489 N ALA A 31 1.373 -16.603 -7.535 1.00 1.00 N ATOM 490 CA ALA A 31 0.465 -15.678 -6.881 1.00 1.00 C ATOM 491 C ALA A 31 1.240 -14.483 -6.328 1.00 1.00 C ATOM 492 O ALA A 31 0.713 -13.377 -6.235 1.00 1.00 O ATOM 493 CB ALA A 31 -0.247 -16.405 -5.734 1.00 1.00 C ATOM 0 H ALA A 31 1.392 -17.535 -7.121 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.267 -15.317 -7.604 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -0.931 -15.718 -5.237 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.808 -17.251 -6.132 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.491 -16.764 -5.017 1.00 1.00 H new ATOM 499 N ASP A 32 2.499 -14.727 -5.950 1.00 1.00 N ATOM 500 CA ASP A 32 3.351 -13.676 -5.387 1.00 1.00 C ATOM 501 C ASP A 32 3.750 -12.661 -6.461 1.00 1.00 C ATOM 502 O ASP A 32 4.333 -11.619 -6.152 1.00 1.00 O ATOM 503 CB ASP A 32 4.615 -14.307 -4.781 1.00 1.00 C ATOM 504 CG ASP A 32 4.237 -15.313 -3.694 1.00 1.00 C ATOM 505 OD1 ASP A 32 3.197 -15.133 -3.080 1.00 1.00 O ATOM 506 OD2 ASP A 32 4.992 -16.250 -3.494 1.00 1.00 O ATOM 0 H ASP A 32 2.949 -15.640 -6.023 1.00 1.00 H new ATOM 0 HA ASP A 32 2.789 -13.155 -4.612 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.191 -14.804 -5.561 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.252 -13.529 -4.360 1.00 1.00 H new ATOM 511 N ARG A 33 3.448 -12.984 -7.729 1.00 1.00 N ATOM 512 CA ARG A 33 3.786 -12.113 -8.875 1.00 1.00 C ATOM 513 C ARG A 33 2.523 -11.545 -9.505 1.00 1.00 C ATOM 514 O ARG A 33 2.272 -11.703 -10.702 1.00 1.00 O ATOM 515 CB ARG A 33 4.575 -12.919 -9.922 1.00 1.00 C ATOM 516 CG ARG A 33 5.824 -13.563 -9.284 1.00 1.00 C ATOM 517 CD ARG A 33 6.832 -12.501 -8.800 1.00 1.00 C ATOM 518 NE ARG A 33 8.112 -13.144 -8.484 1.00 1.00 N ATOM 519 CZ ARG A 33 8.940 -13.568 -9.438 1.00 1.00 C ATOM 520 NH1 ARG A 33 8.612 -13.438 -10.697 1.00 1.00 N ATOM 521 NH2 ARG A 33 10.075 -14.112 -9.109 1.00 1.00 N ATOM 0 H ARG A 33 2.968 -13.845 -7.991 1.00 1.00 H new ATOM 0 HA ARG A 33 4.398 -11.285 -8.517 1.00 1.00 H new ATOM 0 HB2 ARG A 33 3.938 -13.694 -10.348 1.00 1.00 H new ATOM 0 HB3 ARG A 33 4.875 -12.266 -10.742 1.00 1.00 H new ATOM 0 HG2 ARG A 33 5.522 -14.187 -8.443 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.306 -14.218 -10.010 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.975 -11.743 -9.570 1.00 1.00 H new ATOM 0 HD3 ARG A 33 6.443 -11.991 -7.919 1.00 1.00 H new ATOM 0 HE ARG A 33 8.376 -13.270 -7.507 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.721 -13.011 -10.950 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.247 -13.763 -11.426 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.327 -14.212 -8.126 1.00 1.00 H new ATOM 0 HH22 ARG A 33 10.713 -14.439 -9.834 1.00 1.00 H new ATOM 535 N ALA A 34 1.733 -10.862 -8.688 1.00 1.00 N ATOM 536 CA ALA A 34 0.504 -10.245 -9.168 1.00 1.00 C ATOM 537 C ALA A 34 -0.032 -9.292 -8.108 1.00 1.00 C ATOM 538 O ALA A 34 0.518 -9.193 -7.010 1.00 1.00 O ATOM 539 CB ALA A 34 -0.533 -11.318 -9.518 1.00 1.00 C ATOM 0 H ALA A 34 1.919 -10.722 -7.695 1.00 1.00 H new ATOM 0 HA ALA A 34 0.714 -9.678 -10.075 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -1.445 -10.840 -9.875 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.135 -11.968 -10.297 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.757 -11.910 -8.631 1.00 1.00 H new ATOM 545 N SER A 35 -1.106 -8.578 -8.448 1.00 1.00 N ATOM 546 CA SER A 35 -1.729 -7.611 -7.536 1.00 1.00 C ATOM 547 C SER A 35 -3.234 -7.602 -7.753 1.00 1.00 C ATOM 548 O SER A 35 -3.716 -8.098 -8.768 1.00 1.00 O ATOM 549 CB SER A 35 -1.161 -6.211 -7.804 1.00 1.00 C ATOM 550 OG SER A 35 0.251 -6.249 -7.642 1.00 1.00 O ATOM 0 H SER A 35 -1.567 -8.651 -9.355 1.00 1.00 H new ATOM 0 HA SER A 35 -1.515 -7.896 -6.506 1.00 1.00 H new ATOM 0 HB2 SER A 35 -1.416 -5.887 -8.813 1.00 1.00 H new ATOM 0 HB3 SER A 35 -1.600 -5.488 -7.117 1.00 1.00 H new ATOM 0 HG SER A 35 0.624 -5.359 -7.813 1.00 1.00 H new ATOM 556 N ILE A 36 -3.980 -7.045 -6.801 1.00 1.00 N ATOM 557 CA ILE A 36 -5.446 -6.973 -6.889 1.00 1.00 C ATOM 558 C ILE A 36 -5.837 -5.534 -7.181 1.00 1.00 C ATOM 559 O ILE A 36 -5.242 -4.603 -6.634 1.00 1.00 O ATOM 560 CB ILE A 36 -6.081 -7.427 -5.552 1.00 1.00 C ATOM 561 CG1 ILE A 36 -5.583 -8.854 -5.209 1.00 1.00 C ATOM 562 CG2 ILE A 36 -7.625 -7.418 -5.675 1.00 1.00 C ATOM 563 CD1 ILE A 36 -6.066 -9.276 -3.815 1.00 1.00 C ATOM 0 H ILE A 36 -3.594 -6.633 -5.952 1.00 1.00 H new ATOM 0 HA ILE A 36 -5.804 -7.629 -7.682 1.00 1.00 H new ATOM 0 HB ILE A 36 -5.788 -6.742 -4.756 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -5.947 -9.561 -5.955 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -4.494 -8.883 -5.246 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -8.067 -7.738 -4.732 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -7.965 -6.410 -5.911 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -7.931 -8.100 -6.469 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -5.706 -10.281 -3.594 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -5.680 -8.580 -3.070 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -7.156 -9.268 -3.790 1.00 1.00 H new ATOM 575 N THR A 37 -6.855 -5.364 -8.028 1.00 1.00 N ATOM 576 CA THR A 37 -7.369 -4.040 -8.393 1.00 1.00 C ATOM 577 C THR A 37 -8.877 -4.010 -8.169 1.00 1.00 C ATOM 578 O THR A 37 -9.579 -4.970 -8.490 1.00 1.00 O ATOM 579 CB THR A 37 -7.043 -3.739 -9.867 1.00 1.00 C ATOM 580 OG1 THR A 37 -5.650 -3.918 -10.080 1.00 1.00 O ATOM 581 CG2 THR A 37 -7.418 -2.293 -10.199 1.00 1.00 C ATOM 0 H THR A 37 -7.345 -6.136 -8.479 1.00 1.00 H new ATOM 0 HA THR A 37 -6.897 -3.279 -7.771 1.00 1.00 H new ATOM 0 HB THR A 37 -7.611 -4.414 -10.507 1.00 1.00 H new ATOM 0 HG1 THR A 37 -5.436 -3.730 -11.017 1.00 1.00 H new ATOM 0 HG21 THR A 37 -7.184 -2.087 -11.244 1.00 1.00 H new ATOM 0 HG22 THR A 37 -8.485 -2.146 -10.030 1.00 1.00 H new ATOM 0 HG23 THR A 37 -6.852 -1.615 -9.560 1.00 1.00 H new ATOM 589 N GLY A 38 -9.377 -2.900 -7.624 1.00 1.00 N ATOM 590 CA GLY A 38 -10.804 -2.747 -7.357 1.00 1.00 C ATOM 591 C GLY A 38 -11.192 -3.486 -6.085 1.00 1.00 C ATOM 592 O GLY A 38 -10.512 -3.384 -5.063 1.00 1.00 O ATOM 0 H GLY A 38 -8.812 -2.093 -7.359 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -11.050 -1.690 -7.259 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.380 -3.132 -8.198 1.00 1.00 H new ATOM 596 N LYS A 39 -12.300 -4.214 -6.149 1.00 1.00 N ATOM 597 CA LYS A 39 -12.807 -4.955 -5.001 1.00 1.00 C ATOM 598 C LYS A 39 -13.917 -5.909 -5.453 1.00 1.00 C ATOM 599 O LYS A 39 -14.826 -5.522 -6.189 1.00 1.00 O ATOM 600 CB LYS A 39 -13.336 -3.964 -3.939 1.00 1.00 C ATOM 601 CG LYS A 39 -14.401 -3.040 -4.558 1.00 1.00 C ATOM 602 CD LYS A 39 -14.868 -2.003 -3.527 1.00 1.00 C ATOM 603 CE LYS A 39 -15.925 -1.088 -4.161 1.00 1.00 C ATOM 604 NZ LYS A 39 -16.380 -0.096 -3.155 1.00 1.00 N ATOM 0 H LYS A 39 -12.868 -4.307 -6.991 1.00 1.00 H new ATOM 0 HA LYS A 39 -12.003 -5.544 -4.559 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -13.764 -4.513 -3.100 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -12.513 -3.369 -3.544 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -13.991 -2.535 -5.432 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -15.251 -3.631 -4.901 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -15.284 -2.505 -2.653 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -14.020 -1.411 -3.181 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -15.508 -0.578 -5.029 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -16.770 -1.679 -4.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -17.097 0.526 -3.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -16.793 -0.593 -2.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -15.570 0.474 -2.839 1.00 1.00 H new ATOM 618 N PHE A 40 -13.837 -7.161 -4.999 1.00 1.00 N ATOM 619 CA PHE A 40 -14.829 -8.192 -5.312 1.00 1.00 C ATOM 620 C PHE A 40 -15.532 -8.623 -4.020 1.00 1.00 C ATOM 621 O PHE A 40 -14.883 -9.009 -3.048 1.00 1.00 O ATOM 622 CB PHE A 40 -14.126 -9.389 -5.959 1.00 1.00 C ATOM 623 CG PHE A 40 -13.347 -8.900 -7.173 1.00 1.00 C ATOM 624 CD1 PHE A 40 -13.986 -8.759 -8.415 1.00 1.00 C ATOM 625 CD2 PHE A 40 -11.984 -8.578 -7.050 1.00 1.00 C ATOM 626 CE1 PHE A 40 -13.264 -8.302 -9.526 1.00 1.00 C ATOM 627 CE2 PHE A 40 -11.267 -8.122 -8.160 1.00 1.00 C ATOM 628 CZ PHE A 40 -11.906 -7.986 -9.398 1.00 1.00 C ATOM 0 H PHE A 40 -13.079 -7.490 -4.401 1.00 1.00 H new ATOM 0 HA PHE A 40 -15.571 -7.799 -6.007 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -13.453 -9.864 -5.245 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -14.857 -10.141 -6.257 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -15.033 -9.003 -8.514 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -11.490 -8.683 -6.096 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -13.756 -8.194 -10.482 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -10.220 -7.875 -8.062 1.00 1.00 H new ATOM 0 HZ PHE A 40 -11.351 -7.637 -10.256 1.00 1.00 H new ATOM 638 N SER A 41 -16.861 -8.576 -4.031 1.00 1.00 N ATOM 639 CA SER A 41 -17.653 -8.983 -2.881 1.00 1.00 C ATOM 640 C SER A 41 -17.518 -10.488 -2.674 1.00 1.00 C ATOM 641 O SER A 41 -17.141 -11.215 -3.588 1.00 1.00 O ATOM 642 CB SER A 41 -19.125 -8.630 -3.129 1.00 1.00 C ATOM 643 OG SER A 41 -19.246 -7.228 -3.314 1.00 1.00 O ATOM 0 H SER A 41 -17.412 -8.258 -4.829 1.00 1.00 H new ATOM 0 HA SER A 41 -17.297 -8.463 -1.991 1.00 1.00 H new ATOM 0 HB2 SER A 41 -19.494 -9.158 -4.008 1.00 1.00 H new ATOM 0 HB3 SER A 41 -19.735 -8.951 -2.285 1.00 1.00 H new ATOM 0 HG SER A 41 -20.185 -6.999 -3.474 1.00 1.00 H new ATOM 649 N ASP A 42 -17.850 -10.946 -1.471 1.00 1.00 N ATOM 650 CA ASP A 42 -17.789 -12.370 -1.141 1.00 1.00 C ATOM 651 C ASP A 42 -18.640 -13.190 -2.117 1.00 1.00 C ATOM 652 O ASP A 42 -18.430 -14.392 -2.267 1.00 1.00 O ATOM 653 CB ASP A 42 -18.293 -12.597 0.293 1.00 1.00 C ATOM 654 CG ASP A 42 -19.725 -12.084 0.435 1.00 1.00 C ATOM 655 OD1 ASP A 42 -20.034 -11.074 -0.175 1.00 1.00 O ATOM 656 OD2 ASP A 42 -20.493 -12.713 1.145 1.00 1.00 O ATOM 0 H ASP A 42 -18.165 -10.351 -0.705 1.00 1.00 H new ATOM 0 HA ASP A 42 -16.752 -12.696 -1.220 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -18.253 -13.659 0.537 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -17.643 -12.083 1.001 1.00 1.00 H new ATOM 661 N ALA A 43 -19.608 -12.540 -2.768 1.00 1.00 N ATOM 662 CA ALA A 43 -20.482 -13.223 -3.739 1.00 1.00 C ATOM 663 C ALA A 43 -19.899 -13.117 -5.156 1.00 1.00 C ATOM 664 O ALA A 43 -20.356 -13.799 -6.077 1.00 1.00 O ATOM 665 CB ALA A 43 -21.880 -12.600 -3.702 1.00 1.00 C ATOM 0 H ALA A 43 -19.810 -11.548 -2.645 1.00 1.00 H new ATOM 0 HA ALA A 43 -20.549 -14.277 -3.470 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -22.523 -13.107 -4.421 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -22.299 -12.706 -2.702 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -21.814 -11.542 -3.957 1.00 1.00 H new ATOM 671 N GLU A 44 -18.895 -12.241 -5.321 1.00 1.00 N ATOM 672 CA GLU A 44 -18.236 -12.007 -6.623 1.00 1.00 C ATOM 673 C GLU A 44 -16.805 -12.551 -6.621 1.00 1.00 C ATOM 674 O GLU A 44 -16.283 -12.929 -7.663 1.00 1.00 O ATOM 675 CB GLU A 44 -18.206 -10.496 -6.911 1.00 1.00 C ATOM 676 CG GLU A 44 -19.640 -9.964 -7.049 1.00 1.00 C ATOM 677 CD GLU A 44 -19.639 -8.458 -7.316 1.00 1.00 C ATOM 678 OE1 GLU A 44 -18.565 -7.881 -7.406 1.00 1.00 O ATOM 679 OE2 GLU A 44 -20.719 -7.901 -7.432 1.00 1.00 O ATOM 0 H GLU A 44 -18.516 -11.676 -4.561 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.801 -12.528 -7.396 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -17.690 -9.973 -6.105 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.647 -10.302 -7.826 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -20.148 -10.482 -7.863 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -20.200 -10.176 -6.138 1.00 1.00 H new ATOM 686 N CYS A 45 -16.173 -12.602 -5.452 1.00 1.00 N ATOM 687 CA CYS A 45 -14.800 -13.119 -5.355 1.00 1.00 C ATOM 688 C CYS A 45 -14.769 -14.597 -5.806 1.00 1.00 C ATOM 689 O CYS A 45 -13.884 -14.994 -6.563 1.00 1.00 O ATOM 690 CB CYS A 45 -14.260 -12.972 -3.883 1.00 1.00 C ATOM 691 SG CYS A 45 -12.655 -12.110 -3.837 1.00 1.00 S ATOM 0 H CYS A 45 -16.578 -12.298 -4.567 1.00 1.00 H new ATOM 0 HA CYS A 45 -14.151 -12.538 -6.011 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -14.985 -12.423 -3.282 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -14.156 -13.959 -3.433 1.00 1.00 H new ATOM 0 HG CYS A 45 -12.251 -12.010 -2.605 1.00 1.00 H new ATOM 697 N PRO A 46 -15.692 -15.421 -5.335 1.00 1.00 N ATOM 698 CA PRO A 46 -15.711 -16.878 -5.686 1.00 1.00 C ATOM 699 C PRO A 46 -15.796 -17.115 -7.187 1.00 1.00 C ATOM 700 O PRO A 46 -15.066 -17.928 -7.741 1.00 1.00 O ATOM 701 CB PRO A 46 -16.974 -17.429 -4.959 1.00 1.00 C ATOM 702 CG PRO A 46 -17.223 -16.448 -3.851 1.00 1.00 C ATOM 703 CD PRO A 46 -16.828 -15.083 -4.449 1.00 1.00 C ATOM 0 HA PRO A 46 -14.792 -17.376 -5.379 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -17.827 -17.490 -5.635 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.803 -18.433 -4.570 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -18.267 -16.458 -3.539 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -16.625 -16.684 -2.970 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -17.651 -14.632 -5.003 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -16.538 -14.372 -3.675 1.00 1.00 H new ATOM 711 N LYS A 47 -16.718 -16.414 -7.835 1.00 1.00 N ATOM 712 CA LYS A 47 -16.925 -16.593 -9.265 1.00 1.00 C ATOM 713 C LYS A 47 -15.635 -16.403 -10.051 1.00 1.00 C ATOM 714 O LYS A 47 -15.253 -17.266 -10.834 1.00 1.00 O ATOM 715 CB LYS A 47 -17.971 -15.583 -9.771 1.00 1.00 C ATOM 716 CG LYS A 47 -19.319 -15.840 -9.084 1.00 1.00 C ATOM 717 CD LYS A 47 -20.365 -14.839 -9.598 1.00 1.00 C ATOM 718 CE LYS A 47 -21.714 -15.102 -8.919 1.00 1.00 C ATOM 719 NZ LYS A 47 -22.727 -14.149 -9.449 1.00 1.00 N ATOM 0 H LYS A 47 -17.328 -15.723 -7.398 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.275 -17.614 -9.420 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -17.636 -14.566 -9.566 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -18.081 -15.671 -10.852 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.650 -16.859 -9.282 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -19.211 -15.744 -8.004 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.037 -13.820 -9.394 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -20.468 -14.930 -10.679 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -22.032 -16.128 -9.103 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.619 -14.986 -7.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -23.643 -14.325 -8.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.423 -13.174 -9.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -22.824 -14.281 -10.476 1.00 1.00 H new ATOM 733 N LEU A 48 -14.954 -15.289 -9.829 1.00 1.00 N ATOM 734 CA LEU A 48 -13.708 -15.016 -10.546 1.00 1.00 C ATOM 735 C LEU A 48 -12.658 -16.075 -10.238 1.00 1.00 C ATOM 736 O LEU A 48 -11.924 -16.516 -11.127 1.00 1.00 O ATOM 737 CB LEU A 48 -13.207 -13.595 -10.172 1.00 1.00 C ATOM 738 CG LEU A 48 -13.867 -12.507 -11.076 1.00 1.00 C ATOM 739 CD1 LEU A 48 -13.356 -12.615 -12.559 1.00 1.00 C ATOM 740 CD2 LEU A 48 -15.423 -12.621 -11.002 1.00 1.00 C ATOM 0 H LEU A 48 -15.234 -14.565 -9.168 1.00 1.00 H new ATOM 0 HA LEU A 48 -13.893 -15.054 -11.620 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -13.435 -13.390 -9.126 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -12.123 -13.550 -10.277 1.00 1.00 H new ATOM 0 HG LEU A 48 -13.576 -11.524 -10.705 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -13.833 -11.845 -13.165 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -12.275 -12.478 -12.582 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -13.605 -13.598 -12.959 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -15.874 -11.858 -11.636 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -15.732 -13.608 -11.346 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -15.750 -12.477 -9.972 1.00 1.00 H new ATOM 752 N ASP A 49 -12.582 -16.470 -8.978 1.00 1.00 N ATOM 753 CA ASP A 49 -11.608 -17.469 -8.567 1.00 1.00 C ATOM 754 C ASP A 49 -11.930 -18.814 -9.208 1.00 1.00 C ATOM 755 O ASP A 49 -11.074 -19.697 -9.249 1.00 1.00 O ATOM 756 CB ASP A 49 -11.629 -17.601 -7.045 1.00 1.00 C ATOM 757 CG ASP A 49 -11.218 -16.279 -6.405 1.00 1.00 C ATOM 758 OD1 ASP A 49 -10.384 -15.597 -6.978 1.00 1.00 O ATOM 759 OD2 ASP A 49 -11.747 -15.969 -5.352 1.00 1.00 O ATOM 0 H ASP A 49 -13.177 -16.118 -8.228 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.616 -17.156 -8.892 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -12.627 -17.883 -6.709 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -10.951 -18.394 -6.730 1.00 1.00 H new ATOM 764 N VAL A 50 -13.172 -18.964 -9.721 1.00 1.00 N ATOM 765 CA VAL A 50 -13.605 -20.224 -10.376 1.00 1.00 C ATOM 766 C VAL A 50 -13.574 -20.066 -11.891 1.00 1.00 C ATOM 767 O VAL A 50 -13.624 -21.065 -12.612 1.00 1.00 O ATOM 768 CB VAL A 50 -15.019 -20.634 -9.894 1.00 1.00 C ATOM 769 CG1 VAL A 50 -15.586 -21.818 -10.738 1.00 1.00 C ATOM 770 CG2 VAL A 50 -14.956 -21.027 -8.400 1.00 1.00 C ATOM 0 H VAL A 50 -13.887 -18.237 -9.696 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.912 -21.017 -10.097 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.689 -19.784 -10.024 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.579 -22.081 -10.374 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.650 -21.521 -11.785 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.925 -22.680 -10.645 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.950 -21.316 -8.058 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -14.270 -21.865 -8.273 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.604 -20.178 -7.815 1.00 1.00 H new ATOM 780 N VAL A 51 -13.482 -18.824 -12.383 1.00 1.00 N ATOM 781 CA VAL A 51 -13.423 -18.572 -13.836 1.00 1.00 C ATOM 782 C VAL A 51 -11.961 -18.437 -14.277 1.00 1.00 C ATOM 783 O VAL A 51 -11.651 -18.556 -15.461 1.00 1.00 O ATOM 784 CB VAL A 51 -14.216 -17.279 -14.172 1.00 1.00 C ATOM 785 CG1 VAL A 51 -13.943 -16.806 -15.629 1.00 1.00 C ATOM 786 CG2 VAL A 51 -15.727 -17.540 -13.987 1.00 1.00 C ATOM 0 H VAL A 51 -13.447 -17.983 -11.807 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.873 -19.408 -14.372 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.886 -16.492 -13.494 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -14.514 -15.899 -15.830 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -12.880 -16.600 -15.752 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -14.244 -17.587 -16.327 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -16.284 -16.633 -14.222 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -16.042 -18.343 -14.654 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -15.923 -17.828 -12.954 1.00 1.00 H new ATOM 796 N PHE A 52 -11.064 -18.177 -13.325 1.00 1.00 N ATOM 797 CA PHE A 52 -9.641 -18.026 -13.648 1.00 1.00 C ATOM 798 C PHE A 52 -9.090 -19.337 -14.246 1.00 1.00 C ATOM 799 O PHE A 52 -8.405 -19.313 -15.268 1.00 1.00 O ATOM 800 CB PHE A 52 -8.834 -17.614 -12.365 1.00 1.00 C ATOM 801 CG PHE A 52 -8.075 -16.313 -12.604 1.00 1.00 C ATOM 802 CD1 PHE A 52 -6.798 -16.348 -13.182 1.00 1.00 C ATOM 803 CD2 PHE A 52 -8.665 -15.085 -12.276 1.00 1.00 C ATOM 804 CE1 PHE A 52 -6.111 -15.160 -13.418 1.00 1.00 C ATOM 805 CE2 PHE A 52 -7.978 -13.899 -12.516 1.00 1.00 C ATOM 806 CZ PHE A 52 -6.702 -13.933 -13.088 1.00 1.00 C ATOM 0 H PHE A 52 -11.291 -18.067 -12.337 1.00 1.00 H new ATOM 0 HA PHE A 52 -9.528 -17.236 -14.391 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.516 -17.494 -11.523 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.134 -18.406 -12.099 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.348 -17.294 -13.444 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -9.652 -15.059 -11.838 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.124 -15.184 -13.855 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -8.430 -12.952 -12.261 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.171 -13.011 -13.276 1.00 1.00 H new ATOM 816 N PRO A 53 -9.369 -20.471 -13.638 1.00 1.00 N ATOM 817 CA PRO A 53 -8.872 -21.790 -14.140 1.00 1.00 C ATOM 818 C PRO A 53 -9.309 -22.027 -15.590 1.00 1.00 C ATOM 819 O PRO A 53 -8.601 -22.662 -16.369 1.00 1.00 O ATOM 820 CB PRO A 53 -9.519 -22.828 -13.170 1.00 1.00 C ATOM 821 CG PRO A 53 -9.805 -22.047 -11.921 1.00 1.00 C ATOM 822 CD PRO A 53 -10.201 -20.653 -12.434 1.00 1.00 C ATOM 0 HA PRO A 53 -7.784 -21.855 -14.152 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -10.431 -23.250 -13.592 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.844 -23.661 -12.972 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -10.608 -22.502 -11.342 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -8.931 -21.999 -11.271 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -11.264 -20.601 -12.671 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -10.002 -19.882 -11.690 1.00 1.00 H new ATOM 830 N HIS A 54 -10.497 -21.517 -15.931 1.00 1.00 N ATOM 831 CA HIS A 54 -11.044 -21.691 -17.277 1.00 1.00 C ATOM 832 C HIS A 54 -10.104 -21.095 -18.323 1.00 1.00 C ATOM 833 O HIS A 54 -9.853 -21.702 -19.363 1.00 1.00 O ATOM 834 CB HIS A 54 -12.440 -21.040 -17.371 1.00 1.00 C ATOM 835 CG HIS A 54 -13.087 -21.413 -18.678 1.00 1.00 C ATOM 836 ND1 HIS A 54 -13.170 -22.729 -19.101 1.00 1.00 N ATOM 837 CD2 HIS A 54 -13.690 -20.665 -19.656 1.00 1.00 C ATOM 838 CE1 HIS A 54 -13.802 -22.736 -20.286 1.00 1.00 C ATOM 839 NE2 HIS A 54 -14.142 -21.503 -20.672 1.00 1.00 N ATOM 0 H HIS A 54 -11.093 -20.984 -15.297 1.00 1.00 H new ATOM 0 HA HIS A 54 -11.141 -22.758 -17.477 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -13.062 -21.370 -16.539 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -12.352 -19.956 -17.294 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -13.798 -19.591 -19.641 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -14.010 -23.629 -20.857 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -14.628 -21.233 -21.527 1.00 1.00 H new ATOM 848 N PHE A 55 -9.574 -19.916 -18.024 1.00 1.00 N ATOM 849 CA PHE A 55 -8.645 -19.255 -18.927 1.00 1.00 C ATOM 850 C PHE A 55 -7.364 -20.075 -19.056 1.00 1.00 C ATOM 851 O PHE A 55 -6.828 -20.229 -20.150 1.00 1.00 O ATOM 852 CB PHE A 55 -8.302 -17.845 -18.358 1.00 1.00 C ATOM 853 CG PHE A 55 -9.375 -16.834 -18.758 1.00 1.00 C ATOM 854 CD1 PHE A 55 -9.387 -16.345 -20.072 1.00 1.00 C ATOM 855 CD2 PHE A 55 -10.349 -16.395 -17.842 1.00 1.00 C ATOM 856 CE1 PHE A 55 -10.355 -15.430 -20.472 1.00 1.00 C ATOM 857 CE2 PHE A 55 -11.320 -15.470 -18.251 1.00 1.00 C ATOM 858 CZ PHE A 55 -11.321 -14.992 -19.566 1.00 1.00 C ATOM 0 H PHE A 55 -9.771 -19.401 -17.166 1.00 1.00 H new ATOM 0 HA PHE A 55 -9.104 -19.160 -19.911 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -8.225 -17.893 -17.272 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.331 -17.521 -18.732 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.641 -16.681 -20.777 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.349 -16.769 -16.829 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -10.359 -15.058 -21.486 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -12.067 -15.126 -17.551 1.00 1.00 H new ATOM 0 HZ PHE A 55 -12.072 -14.282 -19.880 1.00 1.00 H new ATOM 868 N ILE A 56 -6.867 -20.604 -17.946 1.00 1.00 N ATOM 869 CA ILE A 56 -5.637 -21.390 -17.989 1.00 1.00 C ATOM 870 C ILE A 56 -5.912 -22.735 -18.649 1.00 1.00 C ATOM 871 O ILE A 56 -5.022 -23.351 -19.225 1.00 1.00 O ATOM 872 CB ILE A 56 -5.079 -21.570 -16.567 1.00 1.00 C ATOM 873 CG1 ILE A 56 -5.017 -20.193 -15.849 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.687 -22.221 -16.613 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.184 -19.145 -16.621 1.00 1.00 C ATOM 0 H ILE A 56 -7.285 -20.508 -17.021 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.887 -20.865 -18.581 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.742 -22.229 -16.007 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -6.030 -19.815 -15.713 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -4.591 -20.327 -14.855 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.308 -22.341 -15.598 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.758 -23.198 -17.091 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -3.007 -21.587 -17.182 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.179 -18.205 -16.068 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -3.161 -19.505 -16.734 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -4.623 -18.985 -17.606 1.00 1.00 H new ATOM 887 N SER A 57 -7.156 -23.201 -18.562 1.00 1.00 N ATOM 888 CA SER A 57 -7.518 -24.481 -19.166 1.00 1.00 C ATOM 889 C SER A 57 -7.513 -24.389 -20.691 1.00 1.00 C ATOM 890 O SER A 57 -7.037 -25.298 -21.377 1.00 1.00 O ATOM 891 CB SER A 57 -8.887 -24.913 -18.668 1.00 1.00 C ATOM 892 OG SER A 57 -9.197 -26.187 -19.210 1.00 1.00 O ATOM 0 H SER A 57 -7.920 -22.720 -18.087 1.00 1.00 H new ATOM 0 HA SER A 57 -6.777 -25.225 -18.873 1.00 1.00 H new ATOM 0 HB2 SER A 57 -8.895 -24.956 -17.579 1.00 1.00 H new ATOM 0 HB3 SER A 57 -9.642 -24.185 -18.964 1.00 1.00 H new ATOM 0 HG SER A 57 -10.079 -26.472 -18.891 1.00 1.00 H new ATOM 898 N GLN A 58 -8.063 -23.291 -21.221 1.00 1.00 N ATOM 899 CA GLN A 58 -8.146 -23.085 -22.674 1.00 1.00 C ATOM 900 C GLN A 58 -6.834 -22.549 -23.235 1.00 1.00 C ATOM 901 O GLN A 58 -6.318 -23.086 -24.211 1.00 1.00 O ATOM 902 CB GLN A 58 -9.273 -22.092 -22.992 1.00 1.00 C ATOM 903 CG GLN A 58 -10.611 -22.659 -22.506 1.00 1.00 C ATOM 904 CD GLN A 58 -11.736 -21.690 -22.844 1.00 1.00 C ATOM 905 OE1 GLN A 58 -12.057 -20.758 -21.991 1.00 1.00 O flip ATOM 906 NE2 GLN A 58 -12.322 -21.773 -23.922 1.00 1.00 N flip ATOM 0 H GLN A 58 -8.458 -22.531 -20.667 1.00 1.00 H new ATOM 0 HA GLN A 58 -8.352 -24.049 -23.138 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -9.075 -21.135 -22.509 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -9.314 -21.905 -24.065 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -10.798 -23.625 -22.974 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -10.575 -22.828 -21.430 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -12.067 -22.504 -24.586 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -13.063 -21.111 -24.152 1.00 1.00 H new ATOM 915 N ILE A 59 -6.299 -21.489 -22.628 1.00 1.00 N ATOM 916 CA ILE A 59 -5.050 -20.884 -23.118 1.00 1.00 C ATOM 917 C ILE A 59 -3.959 -21.950 -23.240 1.00 1.00 C ATOM 918 O ILE A 59 -3.260 -22.004 -24.240 1.00 1.00 O ATOM 919 CB ILE A 59 -4.598 -19.756 -22.144 1.00 1.00 C ATOM 920 CG1 ILE A 59 -5.616 -18.573 -22.197 1.00 1.00 C ATOM 921 CG2 ILE A 59 -3.171 -19.237 -22.506 1.00 1.00 C ATOM 922 CD1 ILE A 59 -5.367 -17.612 -21.025 1.00 1.00 C ATOM 0 H ILE A 59 -6.700 -21.034 -21.808 1.00 1.00 H new ATOM 0 HA ILE A 59 -5.224 -20.454 -24.104 1.00 1.00 H new ATOM 0 HB ILE A 59 -4.566 -20.170 -21.136 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -5.517 -18.040 -23.142 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -6.635 -18.957 -22.153 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -2.882 -18.450 -21.809 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -2.458 -20.059 -22.441 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -3.175 -18.839 -23.521 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -6.082 -16.790 -21.070 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -5.489 -18.147 -20.083 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -4.354 -17.216 -21.089 1.00 1.00 H new ATOM 934 N GLU A 60 -3.808 -22.785 -22.223 1.00 1.00 N ATOM 935 CA GLU A 60 -2.780 -23.826 -22.258 1.00 1.00 C ATOM 936 C GLU A 60 -2.945 -24.703 -23.506 1.00 1.00 C ATOM 937 O GLU A 60 -1.963 -25.171 -24.082 1.00 1.00 O ATOM 938 CB GLU A 60 -2.893 -24.675 -20.970 1.00 1.00 C ATOM 939 CG GLU A 60 -2.326 -23.905 -19.748 1.00 1.00 C ATOM 940 CD GLU A 60 -0.803 -23.814 -19.829 1.00 1.00 C ATOM 941 OE1 GLU A 60 -0.179 -24.854 -19.955 1.00 1.00 O ATOM 942 OE2 GLU A 60 -0.288 -22.711 -19.767 1.00 1.00 O ATOM 0 H GLU A 60 -4.372 -22.768 -21.373 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.792 -23.368 -22.306 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.937 -24.933 -20.790 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -2.351 -25.612 -21.098 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -2.754 -22.903 -19.712 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -2.617 -24.409 -18.827 1.00 1.00 H new ATOM 949 N SER A 61 -4.196 -24.908 -23.921 1.00 1.00 N ATOM 950 CA SER A 61 -4.485 -25.725 -25.110 1.00 1.00 C ATOM 951 C SER A 61 -4.176 -24.946 -26.391 1.00 1.00 C ATOM 952 O SER A 61 -3.745 -25.526 -27.389 1.00 1.00 O ATOM 953 CB SER A 61 -5.942 -26.189 -25.097 1.00 1.00 C ATOM 954 OG SER A 61 -6.215 -26.837 -23.860 1.00 1.00 O ATOM 0 H SER A 61 -5.021 -24.525 -23.459 1.00 1.00 H new ATOM 0 HA SER A 61 -3.843 -26.606 -25.087 1.00 1.00 H new ATOM 0 HB2 SER A 61 -6.609 -25.337 -25.230 1.00 1.00 H new ATOM 0 HB3 SER A 61 -6.127 -26.871 -25.927 1.00 1.00 H new ATOM 0 HG SER A 61 -6.460 -26.168 -23.187 1.00 1.00 H new ATOM 960 N MET A 62 -4.375 -23.633 -26.350 1.00 1.00 N ATOM 961 CA MET A 62 -4.100 -22.773 -27.502 1.00 1.00 C ATOM 962 C MET A 62 -2.629 -22.877 -27.903 1.00 1.00 C ATOM 963 O MET A 62 -2.278 -22.701 -29.066 1.00 1.00 O ATOM 964 CB MET A 62 -4.457 -21.310 -27.168 1.00 1.00 C ATOM 965 CG MET A 62 -5.982 -21.164 -26.962 1.00 1.00 C ATOM 966 SD MET A 62 -6.854 -21.351 -28.545 1.00 1.00 S ATOM 967 CE MET A 62 -6.693 -19.645 -29.135 1.00 1.00 C ATOM 0 H MET A 62 -4.726 -23.137 -25.531 1.00 1.00 H new ATOM 0 HA MET A 62 -4.714 -23.104 -28.340 1.00 1.00 H new ATOM 0 HB2 MET A 62 -3.930 -20.996 -26.267 1.00 1.00 H new ATOM 0 HB3 MET A 62 -4.128 -20.655 -27.974 1.00 1.00 H new ATOM 0 HG2 MET A 62 -6.334 -21.915 -26.255 1.00 1.00 H new ATOM 0 HG3 MET A 62 -6.205 -20.189 -26.529 1.00 1.00 H new ATOM 0 HE1 MET A 62 -7.172 -19.550 -30.109 1.00 1.00 H new ATOM 0 HE2 MET A 62 -7.172 -18.969 -28.427 1.00 1.00 H new ATOM 0 HE3 MET A 62 -5.637 -19.389 -29.224 1.00 1.00 H new ATOM 977 N LEU A 63 -1.769 -23.155 -26.938 1.00 1.00 N ATOM 978 CA LEU A 63 -0.337 -23.275 -27.221 1.00 1.00 C ATOM 979 C LEU A 63 -0.093 -24.393 -28.236 1.00 1.00 C ATOM 980 O LEU A 63 0.705 -24.244 -29.157 1.00 1.00 O ATOM 981 CB LEU A 63 0.432 -23.559 -25.921 1.00 1.00 C ATOM 982 CG LEU A 63 0.089 -22.497 -24.849 1.00 1.00 C ATOM 983 CD1 LEU A 63 0.811 -22.850 -23.536 1.00 1.00 C ATOM 984 CD2 LEU A 63 0.487 -21.070 -25.319 1.00 1.00 C ATOM 0 H LEU A 63 -2.026 -23.301 -25.962 1.00 1.00 H new ATOM 0 HA LEU A 63 0.021 -22.336 -27.644 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.180 -24.553 -25.551 1.00 1.00 H new ATOM 0 HB3 LEU A 63 1.504 -23.554 -26.117 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.989 -22.500 -24.687 1.00 1.00 H new ATOM 0 HD11 LEU A 63 0.572 -22.104 -22.778 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.485 -23.832 -23.194 1.00 1.00 H new ATOM 0 HD13 LEU A 63 1.888 -22.864 -23.705 1.00 1.00 H new ATOM 0 HD21 LEU A 63 0.233 -20.347 -24.544 1.00 1.00 H new ATOM 0 HD22 LEU A 63 1.560 -21.036 -25.510 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -0.052 -20.825 -26.234 1.00 1.00 H new ATOM 996 N THR A 64 -0.804 -25.501 -28.064 1.00 1.00 N ATOM 997 CA THR A 64 -0.696 -26.640 -28.973 1.00 1.00 C ATOM 998 C THR A 64 -1.622 -26.450 -30.169 1.00 1.00 C ATOM 999 O THR A 64 -1.188 -26.526 -31.319 1.00 1.00 O ATOM 1000 CB THR A 64 -1.056 -27.944 -28.224 1.00 1.00 C ATOM 1001 OG1 THR A 64 -0.325 -27.996 -27.006 1.00 1.00 O ATOM 1002 CG2 THR A 64 -0.704 -29.175 -29.084 1.00 1.00 C ATOM 0 H THR A 64 -1.465 -25.637 -27.300 1.00 1.00 H new ATOM 0 HA THR A 64 0.330 -26.708 -29.334 1.00 1.00 H new ATOM 0 HB THR A 64 -2.127 -27.953 -28.021 1.00 1.00 H new ATOM 0 HG1 THR A 64 -0.550 -28.820 -26.525 1.00 1.00 H new ATOM 0 HG21 THR A 64 -0.964 -30.084 -28.542 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.263 -29.138 -30.019 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.364 -29.174 -29.300 1.00 1.00 H new ATOM 1010 N THR A 65 -2.903 -26.231 -29.903 1.00 1.00 N ATOM 1011 CA THR A 65 -3.872 -26.064 -30.985 1.00 1.00 C ATOM 1012 C THR A 65 -3.584 -24.803 -31.800 1.00 1.00 C ATOM 1013 O THR A 65 -3.676 -24.815 -33.028 1.00 1.00 O ATOM 1014 CB THR A 65 -5.291 -26.007 -30.400 1.00 1.00 C ATOM 1015 OG1 THR A 65 -5.471 -27.095 -29.507 1.00 1.00 O ATOM 1016 CG2 THR A 65 -6.330 -26.078 -31.519 1.00 1.00 C ATOM 0 H THR A 65 -3.294 -26.165 -28.963 1.00 1.00 H new ATOM 0 HA THR A 65 -3.789 -26.918 -31.657 1.00 1.00 H new ATOM 0 HB THR A 65 -5.421 -25.066 -29.865 1.00 1.00 H new ATOM 0 HG1 THR A 65 -6.375 -27.062 -29.129 1.00 1.00 H new ATOM 0 HG21 THR A 65 -7.331 -26.037 -31.089 1.00 1.00 H new ATOM 0 HG22 THR A 65 -6.191 -25.237 -32.198 1.00 1.00 H new ATOM 0 HG23 THR A 65 -6.210 -27.012 -32.069 1.00 1.00 H new ATOM 1024 N GLY A 66 -3.248 -23.714 -31.110 1.00 1.00 N ATOM 1025 CA GLY A 66 -2.962 -22.435 -31.770 1.00 1.00 C ATOM 1026 C GLY A 66 -1.511 -22.366 -32.197 1.00 1.00 C ATOM 1027 O GLY A 66 -1.102 -21.439 -32.895 1.00 1.00 O ATOM 0 H GLY A 66 -3.166 -23.689 -30.094 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.608 -22.316 -32.640 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -3.186 -21.612 -31.092 1.00 1.00 H new ATOM 1031 N GLU A 67 -0.733 -23.361 -31.771 1.00 1.00 N ATOM 1032 CA GLU A 67 0.690 -23.425 -32.109 1.00 1.00 C ATOM 1033 C GLU A 67 1.368 -22.099 -31.801 1.00 1.00 C ATOM 1034 O GLU A 67 1.325 -21.170 -32.607 1.00 1.00 O ATOM 1035 CB GLU A 67 0.860 -23.739 -33.599 1.00 1.00 C ATOM 1036 CG GLU A 67 0.279 -25.123 -33.908 1.00 1.00 C ATOM 1037 CD GLU A 67 0.424 -25.452 -35.394 1.00 1.00 C ATOM 1038 OE1 GLU A 67 0.942 -24.624 -36.131 1.00 1.00 O ATOM 1039 OE2 GLU A 67 0.009 -26.532 -35.777 1.00 1.00 O ATOM 0 H GLU A 67 -1.063 -24.133 -31.192 1.00 1.00 H new ATOM 0 HA GLU A 67 1.150 -24.212 -31.512 1.00 1.00 H new ATOM 0 HB2 GLU A 67 0.357 -22.981 -34.199 1.00 1.00 H new ATOM 0 HB3 GLU A 67 1.916 -23.710 -33.868 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.790 -25.879 -33.312 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -0.773 -25.152 -33.625 1.00 1.00 H new ATOM 1046 N LEU A 68 1.989 -22.012 -30.637 1.00 1.00 N ATOM 1047 CA LEU A 68 2.662 -20.781 -30.243 1.00 1.00 C ATOM 1048 C LEU A 68 4.016 -20.694 -30.948 1.00 1.00 C ATOM 1049 O LEU A 68 4.693 -21.704 -31.141 1.00 1.00 O ATOM 1050 CB LEU A 68 2.869 -20.759 -28.703 1.00 1.00 C ATOM 1051 CG LEU A 68 3.192 -19.307 -28.194 1.00 1.00 C ATOM 1052 CD1 LEU A 68 1.886 -18.520 -27.926 1.00 1.00 C ATOM 1053 CD2 LEU A 68 4.024 -19.349 -26.888 1.00 1.00 C ATOM 0 H LEU A 68 2.043 -22.768 -29.954 1.00 1.00 H new ATOM 0 HA LEU A 68 2.048 -19.927 -30.529 1.00 1.00 H new ATOM 0 HB2 LEU A 68 1.972 -21.130 -28.207 1.00 1.00 H new ATOM 0 HB3 LEU A 68 3.683 -21.431 -28.433 1.00 1.00 H new ATOM 0 HG LEU A 68 3.768 -18.809 -28.974 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.131 -17.518 -27.574 1.00 1.00 H new ATOM 0 HD12 LEU A 68 1.308 -18.450 -28.847 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.299 -19.037 -27.167 1.00 1.00 H new ATOM 0 HD21 LEU A 68 4.234 -18.332 -26.557 1.00 1.00 H new ATOM 0 HD22 LEU A 68 3.462 -19.873 -26.115 1.00 1.00 H new ATOM 0 HD23 LEU A 68 4.963 -19.872 -27.071 1.00 1.00 H new ATOM 1065 N ASN A 69 4.393 -19.470 -31.337 1.00 1.00 N ATOM 1066 CA ASN A 69 5.661 -19.209 -32.031 1.00 1.00 C ATOM 1067 C ASN A 69 6.342 -17.968 -31.423 1.00 1.00 C ATOM 1068 O ASN A 69 6.234 -16.874 -31.982 1.00 1.00 O ATOM 1069 CB ASN A 69 5.387 -18.999 -33.525 1.00 1.00 C ATOM 1070 CG ASN A 69 4.708 -20.252 -34.079 1.00 1.00 C ATOM 1071 OD1 ASN A 69 3.535 -20.214 -34.452 1.00 1.00 O ATOM 1072 ND2 ASN A 69 5.378 -21.375 -34.126 1.00 1.00 N ATOM 0 H ASN A 69 3.830 -18.634 -31.180 1.00 1.00 H new ATOM 0 HA ASN A 69 6.330 -20.061 -31.912 1.00 1.00 H new ATOM 0 HB2 ASN A 69 4.750 -18.127 -33.674 1.00 1.00 H new ATOM 0 HB3 ASN A 69 6.319 -18.808 -34.057 1.00 1.00 H new ATOM 0 HD21 ASN A 69 4.929 -22.223 -34.472 1.00 1.00 H new ATOM 0 HD22 ASN A 69 6.349 -21.403 -33.816 1.00 1.00 H new ATOM 1079 N PRO A 70 7.032 -18.103 -30.286 1.00 1.00 N ATOM 1080 CA PRO A 70 7.716 -16.944 -29.627 1.00 1.00 C ATOM 1081 C PRO A 70 8.950 -16.524 -30.421 1.00 1.00 C ATOM 1082 O PRO A 70 10.057 -16.984 -30.146 1.00 1.00 O ATOM 1083 CB PRO A 70 8.075 -17.480 -28.213 1.00 1.00 C ATOM 1084 CG PRO A 70 8.216 -18.970 -28.387 1.00 1.00 C ATOM 1085 CD PRO A 70 7.236 -19.362 -29.515 1.00 1.00 C ATOM 0 HA PRO A 70 7.097 -16.049 -29.574 1.00 1.00 H new ATOM 0 HB2 PRO A 70 9.000 -17.036 -27.845 1.00 1.00 H new ATOM 0 HB3 PRO A 70 7.296 -17.239 -27.490 1.00 1.00 H new ATOM 0 HG2 PRO A 70 9.240 -19.237 -28.649 1.00 1.00 H new ATOM 0 HG3 PRO A 70 7.977 -19.495 -27.462 1.00 1.00 H new ATOM 0 HD2 PRO A 70 7.650 -20.150 -30.144 1.00 1.00 H new ATOM 0 HD3 PRO A 70 6.296 -19.737 -29.111 1.00 1.00 H new ATOM 1093 N ARG A 71 8.758 -15.617 -31.391 1.00 1.00 N ATOM 1094 CA ARG A 71 9.871 -15.115 -32.209 1.00 1.00 C ATOM 1095 C ARG A 71 9.419 -13.940 -33.094 1.00 1.00 C ATOM 1096 O ARG A 71 10.239 -13.263 -33.714 1.00 1.00 O ATOM 1097 CB ARG A 71 10.422 -16.257 -33.100 1.00 1.00 C ATOM 1098 CG ARG A 71 11.779 -15.863 -33.709 1.00 1.00 C ATOM 1099 CD ARG A 71 12.331 -17.027 -34.529 1.00 1.00 C ATOM 1100 NE ARG A 71 12.594 -18.164 -33.654 1.00 1.00 N ATOM 1101 CZ ARG A 71 13.051 -19.317 -34.136 1.00 1.00 C ATOM 1102 NH1 ARG A 71 13.257 -19.452 -35.418 1.00 1.00 N ATOM 1103 NH2 ARG A 71 13.287 -20.311 -33.327 1.00 1.00 N ATOM 0 H ARG A 71 7.849 -15.219 -31.627 1.00 1.00 H new ATOM 0 HA ARG A 71 10.655 -14.760 -31.540 1.00 1.00 H new ATOM 0 HB2 ARG A 71 10.533 -17.166 -32.508 1.00 1.00 H new ATOM 0 HB3 ARG A 71 9.711 -16.480 -33.896 1.00 1.00 H new ATOM 0 HG2 ARG A 71 11.663 -14.983 -34.341 1.00 1.00 H new ATOM 0 HG3 ARG A 71 12.480 -15.598 -32.918 1.00 1.00 H new ATOM 0 HD2 ARG A 71 11.618 -17.309 -35.303 1.00 1.00 H new ATOM 0 HD3 ARG A 71 13.248 -16.725 -35.035 1.00 1.00 H new ATOM 0 HE ARG A 71 12.424 -18.073 -32.652 1.00 1.00 H new ATOM 0 HH11 ARG A 71 13.068 -18.674 -36.050 1.00 1.00 H new ATOM 0 HH12 ARG A 71 13.607 -20.336 -35.788 1.00 1.00 H new ATOM 0 HH21 ARG A 71 13.121 -20.204 -32.326 1.00 1.00 H new ATOM 0 HH22 ARG A 71 13.637 -21.196 -33.695 1.00 1.00 H new ATOM 1117 N HIS A 72 8.106 -13.692 -33.141 1.00 1.00 N ATOM 1118 CA HIS A 72 7.560 -12.603 -33.957 1.00 1.00 C ATOM 1119 C HIS A 72 6.337 -11.988 -33.292 1.00 1.00 C ATOM 1120 O HIS A 72 5.586 -12.665 -32.589 1.00 1.00 O ATOM 1121 CB HIS A 72 7.188 -13.154 -35.344 1.00 1.00 C ATOM 1122 CG HIS A 72 6.783 -12.025 -36.253 1.00 1.00 C ATOM 1123 ND1 HIS A 72 5.513 -11.475 -36.223 1.00 1.00 N ATOM 1124 CD2 HIS A 72 7.479 -11.317 -37.199 1.00 1.00 C ATOM 1125 CE1 HIS A 72 5.484 -10.478 -37.124 1.00 1.00 C ATOM 1126 NE2 HIS A 72 6.657 -10.339 -37.747 1.00 1.00 N ATOM 0 H HIS A 72 7.406 -14.227 -32.627 1.00 1.00 H new ATOM 0 HA HIS A 72 8.314 -11.822 -34.060 1.00 1.00 H new ATOM 0 HB2 HIS A 72 8.036 -13.690 -35.771 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.371 -13.870 -35.253 1.00 1.00 H new ATOM 0 HD1 HIS A 72 4.741 -11.772 -35.626 1.00 1.00 H new ATOM 0 HD2 HIS A 72 8.508 -11.492 -37.476 1.00 1.00 H new ATOM 0 HE1 HIS A 72 4.617 -9.864 -37.320 1.00 1.00 H new ATOM 1135 N ALA A 73 6.164 -10.683 -33.498 1.00 1.00 N ATOM 1136 CA ALA A 73 5.054 -9.961 -32.896 1.00 1.00 C ATOM 1137 C ALA A 73 3.735 -10.615 -33.288 1.00 1.00 C ATOM 1138 O ALA A 73 3.504 -10.899 -34.462 1.00 1.00 O ATOM 1139 CB ALA A 73 5.064 -8.507 -33.384 1.00 1.00 C ATOM 0 H ALA A 73 6.778 -10.109 -34.076 1.00 1.00 H new ATOM 0 HA ALA A 73 5.159 -9.986 -31.811 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.232 -7.966 -32.933 1.00 1.00 H new ATOM 0 HB2 ALA A 73 6.003 -8.033 -33.097 1.00 1.00 H new ATOM 0 HB3 ALA A 73 4.964 -8.487 -34.469 1.00 1.00 H new ATOM 1145 N GLN A 74 2.879 -10.863 -32.308 1.00 1.00 N ATOM 1146 CA GLN A 74 1.587 -11.494 -32.563 1.00 1.00 C ATOM 1147 C GLN A 74 0.686 -11.246 -31.364 1.00 1.00 C ATOM 1148 O GLN A 74 1.141 -11.334 -30.225 1.00 1.00 O ATOM 1149 CB GLN A 74 1.776 -13.005 -32.796 1.00 1.00 C ATOM 1150 CG GLN A 74 0.451 -13.645 -33.240 1.00 1.00 C ATOM 1151 CD GLN A 74 0.638 -15.133 -33.512 1.00 1.00 C ATOM 1152 OE1 GLN A 74 1.693 -15.702 -33.217 1.00 1.00 O ATOM 1153 NE2 GLN A 74 -0.332 -15.800 -34.072 1.00 1.00 N ATOM 0 H GLN A 74 3.053 -10.638 -31.328 1.00 1.00 H new ATOM 0 HA GLN A 74 1.130 -11.069 -33.457 1.00 1.00 H new ATOM 0 HB2 GLN A 74 2.540 -13.170 -33.555 1.00 1.00 H new ATOM 0 HB3 GLN A 74 2.129 -13.480 -31.880 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -0.304 -13.503 -32.467 1.00 1.00 H new ATOM 0 HG3 GLN A 74 0.085 -13.149 -34.139 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -1.203 -15.327 -34.315 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -0.220 -16.795 -34.268 1.00 1.00 H new ATOM 1162 N CYS A 75 -0.592 -10.950 -31.617 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.570 -10.700 -30.551 1.00 1.00 C ATOM 1164 C CYS A 75 -2.809 -11.544 -30.799 1.00 1.00 C ATOM 1165 O CYS A 75 -3.240 -11.682 -31.943 1.00 1.00 O ATOM 1166 CB CYS A 75 -1.957 -9.216 -30.557 1.00 1.00 C ATOM 1167 SG CYS A 75 -0.460 -8.221 -30.431 1.00 1.00 S ATOM 0 H CYS A 75 -0.977 -10.877 -32.559 1.00 1.00 H new ATOM 0 HA CYS A 75 -1.136 -10.961 -29.586 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -2.496 -8.971 -31.472 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -2.626 -8.998 -29.724 1.00 1.00 H new ATOM 0 HG CYS A 75 -0.147 -8.065 -29.179 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.390 -12.091 -29.723 1.00 1.00 N ATOM 1174 CA VAL A 76 -4.616 -12.911 -29.820 1.00 1.00 C ATOM 1175 C VAL A 76 -5.595 -12.442 -28.756 1.00 1.00 C ATOM 1176 O VAL A 76 -5.207 -12.248 -27.603 1.00 1.00 O ATOM 1177 CB VAL A 76 -4.273 -14.401 -29.621 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -5.534 -15.271 -29.816 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -3.192 -14.808 -30.635 1.00 1.00 C ATOM 0 H VAL A 76 -3.035 -11.983 -28.773 1.00 1.00 H new ATOM 0 HA VAL A 76 -5.066 -12.797 -30.806 1.00 1.00 H new ATOM 0 HB VAL A 76 -3.901 -14.554 -28.608 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -5.278 -16.321 -29.673 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -6.293 -14.980 -29.089 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -5.923 -15.127 -30.824 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -2.944 -15.861 -30.500 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -3.564 -14.650 -31.647 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -2.299 -14.202 -30.478 1.00 1.00 H new ATOM 1189 N THR A 77 -6.862 -12.273 -29.138 1.00 1.00 N ATOM 1190 CA THR A 77 -7.916 -11.840 -28.209 1.00 1.00 C ATOM 1191 C THR A 77 -8.862 -13.009 -27.952 1.00 1.00 C ATOM 1192 O THR A 77 -9.483 -13.520 -28.884 1.00 1.00 O ATOM 1193 CB THR A 77 -8.710 -10.673 -28.833 1.00 1.00 C ATOM 1194 OG1 THR A 77 -7.805 -9.648 -29.215 1.00 1.00 O ATOM 1195 CG2 THR A 77 -9.722 -10.104 -27.820 1.00 1.00 C ATOM 0 H THR A 77 -7.188 -12.430 -30.092 1.00 1.00 H new ATOM 0 HA THR A 77 -7.465 -11.511 -27.273 1.00 1.00 H new ATOM 0 HB THR A 77 -9.254 -11.041 -29.703 1.00 1.00 H new ATOM 0 HG1 THR A 77 -8.303 -8.904 -29.614 1.00 1.00 H new ATOM 0 HG21 THR A 77 -10.272 -9.282 -28.278 1.00 1.00 H new ATOM 0 HG22 THR A 77 -10.420 -10.887 -27.524 1.00 1.00 H new ATOM 0 HG23 THR A 77 -9.191 -9.739 -26.941 1.00 1.00 H new ATOM 1203 N LEU A 78 -8.969 -13.418 -26.680 1.00 1.00 N ATOM 1204 CA LEU A 78 -9.848 -14.523 -26.276 1.00 1.00 C ATOM 1205 C LEU A 78 -11.015 -13.966 -25.489 1.00 1.00 C ATOM 1206 O LEU A 78 -10.840 -13.031 -24.709 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.057 -15.520 -25.398 1.00 1.00 C ATOM 1208 CG LEU A 78 -7.755 -15.997 -26.141 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -6.525 -15.185 -25.674 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -7.504 -17.498 -25.885 1.00 1.00 C ATOM 0 H LEU A 78 -8.453 -12.996 -25.908 1.00 1.00 H new ATOM 0 HA LEU A 78 -10.217 -15.041 -27.161 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -8.791 -15.049 -24.452 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -9.683 -16.380 -25.160 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.903 -15.833 -27.208 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -5.637 -15.533 -26.202 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -6.684 -14.128 -25.889 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -6.386 -15.320 -24.601 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -6.599 -17.810 -26.407 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.383 -17.669 -24.815 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.352 -18.076 -26.252 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.198 -14.538 -25.684 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.406 -14.099 -24.982 1.00 1.00 C ATOM 1224 C TYR A 79 -14.149 -15.320 -24.451 1.00 1.00 C ATOM 1225 O TYR A 79 -14.457 -16.240 -25.207 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.294 -13.321 -25.966 1.00 1.00 C ATOM 1227 CG TYR A 79 -14.597 -14.195 -27.186 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -13.700 -14.236 -28.266 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -15.774 -14.963 -27.235 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -13.978 -15.036 -29.382 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -16.049 -15.762 -28.353 1.00 1.00 C ATOM 1232 CZ TYR A 79 -15.151 -15.797 -29.426 1.00 1.00 C ATOM 1233 OH TYR A 79 -15.425 -16.582 -30.527 1.00 1.00 O ATOM 0 H TYR A 79 -12.350 -15.314 -26.328 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.145 -13.453 -24.144 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -15.223 -13.026 -25.478 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -13.793 -12.405 -26.278 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -12.794 -13.649 -28.236 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -16.468 -14.937 -26.408 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -13.285 -15.065 -30.210 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -16.954 -16.351 -28.387 1.00 1.00 H new ATOM 0 HH TYR A 79 -16.278 -17.045 -30.394 1.00 1.00 H new ATOM 1243 N HIS A 80 -14.443 -15.321 -23.150 1.00 1.00 N ATOM 1244 CA HIS A 80 -15.164 -16.430 -22.519 1.00 1.00 C ATOM 1245 C HIS A 80 -15.854 -15.932 -21.257 1.00 1.00 C ATOM 1246 O HIS A 80 -15.283 -15.147 -20.501 1.00 1.00 O ATOM 1247 CB HIS A 80 -14.177 -17.555 -22.162 1.00 1.00 C ATOM 1248 CG HIS A 80 -13.579 -18.125 -23.418 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -12.423 -17.616 -23.988 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -13.981 -19.150 -24.234 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -12.172 -18.334 -25.099 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -13.093 -19.282 -25.294 1.00 1.00 N ATOM 0 H HIS A 80 -14.193 -14.566 -22.511 1.00 1.00 H new ATOM 0 HA HIS A 80 -15.911 -16.817 -23.212 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -13.389 -17.168 -21.516 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -14.690 -18.338 -21.605 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -14.856 -19.763 -24.077 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -11.329 -18.164 -25.753 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -13.135 -19.957 -26.057 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.079 -16.393 -21.032 1.00 1.00 N ATOM 1262 CA ASN A 81 -17.842 -15.997 -19.851 1.00 1.00 C ATOM 1263 C ASN A 81 -17.950 -14.474 -19.735 1.00 1.00 C ATOM 1264 O ASN A 81 -17.964 -13.922 -18.633 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.181 -16.581 -18.591 1.00 1.00 C ATOM 1266 CG ASN A 81 -18.075 -16.363 -17.373 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -17.782 -15.523 -16.523 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -19.159 -17.074 -17.244 1.00 1.00 N ATOM 0 H ASN A 81 -17.566 -17.041 -21.651 1.00 1.00 H new ATOM 0 HA ASN A 81 -18.853 -16.391 -19.950 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -16.997 -17.646 -18.729 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -16.212 -16.109 -18.428 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -19.767 -16.935 -16.437 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -19.400 -17.770 -17.950 1.00 1.00 H new ATOM 1275 N GLY A 82 -18.032 -13.804 -20.884 1.00 1.00 N ATOM 1276 CA GLY A 82 -18.145 -12.342 -20.923 1.00 1.00 C ATOM 1277 C GLY A 82 -16.800 -11.676 -20.655 1.00 1.00 C ATOM 1278 O GLY A 82 -16.536 -10.586 -21.158 1.00 1.00 O ATOM 0 H GLY A 82 -18.022 -14.248 -21.802 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.520 -12.030 -21.898 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -18.872 -12.011 -20.181 1.00 1.00 H new ATOM 1282 N PHE A 83 -15.936 -12.347 -19.888 1.00 1.00 N ATOM 1283 CA PHE A 83 -14.604 -11.821 -19.589 1.00 1.00 C ATOM 1284 C PHE A 83 -13.745 -11.879 -20.846 1.00 1.00 C ATOM 1285 O PHE A 83 -13.932 -12.748 -21.698 1.00 1.00 O ATOM 1286 CB PHE A 83 -13.955 -12.659 -18.462 1.00 1.00 C ATOM 1287 CG PHE A 83 -14.615 -12.325 -17.128 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -14.200 -11.190 -16.412 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -15.646 -13.130 -16.620 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -14.809 -10.868 -15.198 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -16.251 -12.806 -15.403 1.00 1.00 C ATOM 1292 CZ PHE A 83 -15.834 -11.675 -14.692 1.00 1.00 C ATOM 0 H PHE A 83 -16.136 -13.253 -19.464 1.00 1.00 H new ATOM 0 HA PHE A 83 -14.684 -10.786 -19.257 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -14.065 -13.722 -18.677 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.886 -12.452 -18.412 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -13.409 -10.566 -16.801 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -15.972 -14.000 -17.170 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -14.489 -9.995 -14.649 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -17.041 -13.429 -15.011 1.00 1.00 H new ATOM 0 HZ PHE A 83 -16.304 -11.425 -13.752 1.00 1.00 H new ATOM 1302 N THR A 84 -12.793 -10.945 -20.951 1.00 1.00 N ATOM 1303 CA THR A 84 -11.882 -10.869 -22.097 1.00 1.00 C ATOM 1304 C THR A 84 -10.469 -10.555 -21.603 1.00 1.00 C ATOM 1305 O THR A 84 -10.210 -9.457 -21.106 1.00 1.00 O ATOM 1306 CB THR A 84 -12.361 -9.758 -23.053 1.00 1.00 C ATOM 1307 OG1 THR A 84 -13.727 -9.980 -23.362 1.00 1.00 O ATOM 1308 CG2 THR A 84 -11.543 -9.768 -24.352 1.00 1.00 C ATOM 0 H THR A 84 -12.633 -10.224 -20.247 1.00 1.00 H new ATOM 0 HA THR A 84 -11.873 -11.822 -22.626 1.00 1.00 H new ATOM 0 HB THR A 84 -12.230 -8.791 -22.567 1.00 1.00 H new ATOM 0 HG1 THR A 84 -14.043 -9.278 -23.969 1.00 1.00 H new ATOM 0 HG21 THR A 84 -11.898 -8.976 -25.012 1.00 1.00 H new ATOM 0 HG22 THR A 84 -10.491 -9.603 -24.121 1.00 1.00 H new ATOM 0 HG23 THR A 84 -11.659 -10.732 -24.847 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.553 -11.523 -21.754 1.00 1.00 N ATOM 1317 CA CYS A 85 -8.147 -11.359 -21.340 1.00 1.00 C ATOM 1318 C CYS A 85 -7.312 -11.052 -22.569 1.00 1.00 C ATOM 1319 O CYS A 85 -7.583 -11.607 -23.635 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.643 -12.647 -20.685 1.00 1.00 C ATOM 1321 SG CYS A 85 -8.721 -13.061 -19.296 1.00 1.00 S ATOM 0 H CYS A 85 -9.761 -12.434 -22.162 1.00 1.00 H new ATOM 0 HA CYS A 85 -8.067 -10.544 -20.620 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -7.635 -13.460 -21.411 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -6.617 -12.517 -20.340 1.00 1.00 H new ATOM 0 HG CYS A 85 -9.416 -14.121 -19.587 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.300 -10.187 -22.436 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.425 -9.830 -23.568 1.00 1.00 C ATOM 1329 C GLU A 86 -4.070 -10.501 -23.385 1.00 1.00 C ATOM 1330 O GLU A 86 -3.577 -10.622 -22.263 1.00 1.00 O ATOM 1331 CB GLU A 86 -5.245 -8.300 -23.607 1.00 1.00 C ATOM 1332 CG GLU A 86 -4.445 -7.883 -24.856 1.00 1.00 C ATOM 1333 CD GLU A 86 -4.314 -6.360 -24.936 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -5.047 -5.673 -24.243 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -3.477 -5.902 -25.698 1.00 1.00 O ATOM 0 H GLU A 86 -6.064 -9.720 -21.560 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.873 -10.166 -24.503 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -6.220 -7.813 -23.613 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -4.727 -7.966 -22.708 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -3.454 -8.336 -24.827 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -4.940 -8.257 -25.752 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.476 -10.942 -24.489 1.00 1.00 N ATOM 1343 CA ALA A 87 -2.170 -11.611 -24.460 1.00 1.00 C ATOM 1344 C ALA A 87 -1.357 -11.209 -25.678 1.00 1.00 C ATOM 1345 O ALA A 87 -1.915 -10.919 -26.734 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.379 -13.132 -24.467 1.00 1.00 C ATOM 0 H ALA A 87 -3.877 -10.850 -25.422 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.634 -11.316 -23.558 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.411 -13.632 -24.446 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -2.958 -13.424 -23.591 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -2.917 -13.421 -25.370 1.00 1.00 H new ATOM 1352 N ASP A 88 -0.030 -11.212 -25.538 1.00 1.00 N ATOM 1353 CA ASP A 88 0.854 -10.867 -26.654 1.00 1.00 C ATOM 1354 C ASP A 88 2.259 -11.372 -26.352 1.00 1.00 C ATOM 1355 O ASP A 88 2.738 -11.245 -25.223 1.00 1.00 O ATOM 1356 CB ASP A 88 0.861 -9.345 -26.866 1.00 1.00 C ATOM 1357 CG ASP A 88 1.649 -8.972 -28.121 1.00 1.00 C ATOM 1358 OD1 ASP A 88 2.329 -9.830 -28.659 1.00 1.00 O ATOM 1359 OD2 ASP A 88 1.564 -7.826 -28.523 1.00 1.00 O ATOM 0 H ASP A 88 0.453 -11.447 -24.671 1.00 1.00 H new ATOM 0 HA ASP A 88 0.494 -11.338 -27.569 1.00 1.00 H new ATOM 0 HB2 ASP A 88 -0.163 -8.981 -26.953 1.00 1.00 H new ATOM 0 HB3 ASP A 88 1.300 -8.855 -25.997 1.00 1.00 H new ATOM 1364 N THR A 89 2.924 -11.950 -27.356 1.00 1.00 N ATOM 1365 CA THR A 89 4.284 -12.480 -27.178 1.00 1.00 C ATOM 1366 C THR A 89 5.324 -11.390 -27.418 1.00 1.00 C ATOM 1367 O THR A 89 6.486 -11.552 -27.050 1.00 1.00 O ATOM 1368 CB THR A 89 4.511 -13.639 -28.155 1.00 1.00 C ATOM 1369 OG1 THR A 89 4.291 -13.177 -29.479 1.00 1.00 O ATOM 1370 CG2 THR A 89 3.538 -14.783 -27.834 1.00 1.00 C ATOM 0 H THR A 89 2.547 -12.064 -28.297 1.00 1.00 H new ATOM 0 HA THR A 89 4.390 -12.837 -26.153 1.00 1.00 H new ATOM 0 HB THR A 89 5.533 -14.006 -28.061 1.00 1.00 H new ATOM 0 HG1 THR A 89 4.436 -13.912 -30.110 1.00 1.00 H new ATOM 0 HG21 THR A 89 3.701 -15.606 -28.530 1.00 1.00 H new ATOM 0 HG22 THR A 89 3.708 -15.130 -26.815 1.00 1.00 H new ATOM 0 HG23 THR A 89 2.513 -14.426 -27.929 1.00 1.00 H new ATOM 1378 N LEU A 90 4.902 -10.292 -28.050 1.00 1.00 N ATOM 1379 CA LEU A 90 5.796 -9.169 -28.345 1.00 1.00 C ATOM 1380 C LEU A 90 6.966 -9.620 -29.215 1.00 1.00 C ATOM 1381 O LEU A 90 7.917 -8.869 -29.445 1.00 1.00 O ATOM 1382 CB LEU A 90 6.303 -8.542 -27.031 1.00 1.00 C ATOM 1383 CG LEU A 90 5.112 -8.140 -26.113 1.00 1.00 C ATOM 1384 CD1 LEU A 90 5.650 -7.708 -24.736 1.00 1.00 C ATOM 1385 CD2 LEU A 90 4.298 -6.973 -26.732 1.00 1.00 C ATOM 0 H LEU A 90 3.943 -10.156 -28.369 1.00 1.00 H new ATOM 0 HA LEU A 90 5.238 -8.416 -28.901 1.00 1.00 H new ATOM 0 HB2 LEU A 90 6.946 -9.251 -26.510 1.00 1.00 H new ATOM 0 HB3 LEU A 90 6.910 -7.664 -27.252 1.00 1.00 H new ATOM 0 HG LEU A 90 4.455 -9.003 -26.008 1.00 1.00 H new ATOM 0 HD11 LEU A 90 4.817 -7.426 -24.092 1.00 1.00 H new ATOM 0 HD12 LEU A 90 6.195 -8.536 -24.282 1.00 1.00 H new ATOM 0 HD13 LEU A 90 6.319 -6.856 -24.858 1.00 1.00 H new ATOM 0 HD21 LEU A 90 3.473 -6.713 -26.069 1.00 1.00 H new ATOM 0 HD22 LEU A 90 4.946 -6.106 -26.861 1.00 1.00 H new ATOM 0 HD23 LEU A 90 3.903 -7.279 -27.701 1.00 1.00 H new ATOM 1397 N GLY A 91 6.894 -10.861 -29.685 1.00 1.00 N ATOM 1398 CA GLY A 91 7.946 -11.423 -30.519 1.00 1.00 C ATOM 1399 C GLY A 91 9.190 -11.701 -29.695 1.00 1.00 C ATOM 1400 O GLY A 91 10.288 -11.828 -30.237 1.00 1.00 O ATOM 0 H GLY A 91 6.117 -11.496 -29.501 1.00 1.00 H new ATOM 0 HA2 GLY A 91 7.596 -12.346 -30.982 1.00 1.00 H new ATOM 0 HA3 GLY A 91 8.185 -10.732 -31.327 1.00 1.00 H new ATOM 1404 N SER A 92 9.008 -11.803 -28.378 1.00 1.00 N ATOM 1405 CA SER A 92 10.119 -12.088 -27.476 1.00 1.00 C ATOM 1406 C SER A 92 10.730 -13.459 -27.805 1.00 1.00 C ATOM 1407 O SER A 92 10.780 -13.864 -28.966 1.00 1.00 O ATOM 1408 CB SER A 92 9.634 -12.049 -26.017 1.00 1.00 C ATOM 1409 OG SER A 92 10.750 -12.215 -25.150 1.00 1.00 O ATOM 0 H SER A 92 8.105 -11.693 -27.916 1.00 1.00 H new ATOM 0 HA SER A 92 10.888 -11.327 -27.608 1.00 1.00 H new ATOM 0 HB2 SER A 92 9.136 -11.101 -25.812 1.00 1.00 H new ATOM 0 HB3 SER A 92 8.902 -12.838 -25.843 1.00 1.00 H new ATOM 0 HG SER A 92 10.523 -11.880 -24.257 1.00 1.00 H new ATOM 1415 N CYS A 93 11.201 -14.164 -26.779 1.00 1.00 N ATOM 1416 CA CYS A 93 11.824 -15.475 -26.960 1.00 1.00 C ATOM 1417 C CYS A 93 11.917 -16.193 -25.612 1.00 1.00 C ATOM 1418 O CYS A 93 12.726 -15.835 -24.759 1.00 1.00 O ATOM 1419 CB CYS A 93 13.225 -15.297 -27.564 1.00 1.00 C ATOM 1420 SG CYS A 93 14.206 -14.193 -26.514 1.00 1.00 S ATOM 0 H CYS A 93 11.163 -13.849 -25.810 1.00 1.00 H new ATOM 0 HA CYS A 93 11.218 -16.077 -27.638 1.00 1.00 H new ATOM 0 HB2 CYS A 93 13.719 -16.265 -27.653 1.00 1.00 H new ATOM 0 HB3 CYS A 93 13.148 -14.885 -28.570 1.00 1.00 H new ATOM 0 HG CYS A 93 13.946 -14.439 -25.264 1.00 1.00 H new ATOM 1426 N GLY A 94 11.086 -17.220 -25.432 1.00 1.00 N ATOM 1427 CA GLY A 94 11.079 -17.989 -24.187 1.00 1.00 C ATOM 1428 C GLY A 94 10.462 -17.170 -23.057 1.00 1.00 C ATOM 1429 O GLY A 94 10.778 -17.375 -21.885 1.00 1.00 O ATOM 0 H GLY A 94 10.412 -17.538 -26.129 1.00 1.00 H new ATOM 0 HA2 GLY A 94 10.515 -18.911 -24.325 1.00 1.00 H new ATOM 0 HA3 GLY A 94 12.097 -18.275 -23.923 1.00 1.00 H new ATOM 1433 N TYR A 95 9.555 -16.254 -23.417 1.00 1.00 N ATOM 1434 CA TYR A 95 8.861 -15.409 -22.438 1.00 1.00 C ATOM 1435 C TYR A 95 7.493 -15.012 -22.982 1.00 1.00 C ATOM 1436 O TYR A 95 7.313 -14.842 -24.189 1.00 1.00 O ATOM 1437 CB TYR A 95 9.682 -14.147 -22.134 1.00 1.00 C ATOM 1438 CG TYR A 95 11.054 -14.556 -21.611 1.00 1.00 C ATOM 1439 CD1 TYR A 95 11.161 -15.137 -20.339 1.00 1.00 C ATOM 1440 CD2 TYR A 95 12.213 -14.369 -22.391 1.00 1.00 C ATOM 1441 CE1 TYR A 95 12.412 -15.525 -19.848 1.00 1.00 C ATOM 1442 CE2 TYR A 95 13.461 -14.759 -21.894 1.00 1.00 C ATOM 1443 CZ TYR A 95 13.560 -15.336 -20.624 1.00 1.00 C ATOM 1444 OH TYR A 95 14.790 -15.715 -20.133 1.00 1.00 O ATOM 0 H TYR A 95 9.284 -16.079 -24.384 1.00 1.00 H new ATOM 0 HA TYR A 95 8.738 -15.975 -21.515 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.788 -13.542 -23.034 1.00 1.00 H new ATOM 0 HB3 TYR A 95 9.167 -13.532 -21.396 1.00 1.00 H new ATOM 0 HD1 TYR A 95 10.276 -15.285 -19.738 1.00 1.00 H new ATOM 0 HD2 TYR A 95 12.137 -13.925 -23.372 1.00 1.00 H new ATOM 0 HE1 TYR A 95 12.491 -15.971 -18.868 1.00 1.00 H new ATOM 0 HE2 TYR A 95 14.349 -14.614 -22.492 1.00 1.00 H new ATOM 0 HH TYR A 95 15.483 -15.516 -20.797 1.00 1.00 H new ATOM 1454 N VAL A 96 6.526 -14.872 -22.074 1.00 1.00 N ATOM 1455 CA VAL A 96 5.152 -14.504 -22.423 1.00 1.00 C ATOM 1456 C VAL A 96 4.614 -13.516 -21.387 1.00 1.00 C ATOM 1457 O VAL A 96 4.873 -13.662 -20.190 1.00 1.00 O ATOM 1458 CB VAL A 96 4.263 -15.768 -22.477 1.00 1.00 C ATOM 1459 CG1 VAL A 96 4.722 -16.680 -23.631 1.00 1.00 C ATOM 1460 CG2 VAL A 96 4.352 -16.540 -21.149 1.00 1.00 C ATOM 0 H VAL A 96 6.673 -15.011 -21.074 1.00 1.00 H new ATOM 0 HA VAL A 96 5.139 -14.032 -23.406 1.00 1.00 H new ATOM 0 HB VAL A 96 3.230 -15.462 -22.642 1.00 1.00 H new ATOM 0 HG11 VAL A 96 4.092 -17.569 -23.665 1.00 1.00 H new ATOM 0 HG12 VAL A 96 4.640 -16.141 -24.575 1.00 1.00 H new ATOM 0 HG13 VAL A 96 5.759 -16.976 -23.471 1.00 1.00 H new ATOM 0 HG21 VAL A 96 3.721 -17.427 -21.201 1.00 1.00 H new ATOM 0 HG22 VAL A 96 5.385 -16.839 -20.970 1.00 1.00 H new ATOM 0 HG23 VAL A 96 4.013 -15.901 -20.333 1.00 1.00 H new ATOM 1470 N TYR A 97 3.864 -12.506 -21.860 1.00 1.00 N ATOM 1471 CA TYR A 97 3.270 -11.477 -20.988 1.00 1.00 C ATOM 1472 C TYR A 97 1.769 -11.421 -21.246 1.00 1.00 C ATOM 1473 O TYR A 97 1.334 -11.358 -22.397 1.00 1.00 O ATOM 1474 CB TYR A 97 3.914 -10.099 -21.279 1.00 1.00 C ATOM 1475 CG TYR A 97 5.423 -10.282 -21.413 1.00 1.00 C ATOM 1476 CD1 TYR A 97 5.965 -10.691 -22.642 1.00 1.00 C ATOM 1477 CD2 TYR A 97 6.276 -10.054 -20.321 1.00 1.00 C ATOM 1478 CE1 TYR A 97 7.345 -10.862 -22.777 1.00 1.00 C ATOM 1479 CE2 TYR A 97 7.655 -10.228 -20.460 1.00 1.00 C ATOM 1480 CZ TYR A 97 8.190 -10.630 -21.687 1.00 1.00 C ATOM 1481 OH TYR A 97 9.552 -10.793 -21.825 1.00 1.00 O ATOM 0 H TYR A 97 3.653 -12.380 -22.850 1.00 1.00 H new ATOM 0 HA TYR A 97 3.453 -11.728 -19.943 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.502 -9.675 -22.195 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.688 -9.399 -20.474 1.00 1.00 H new ATOM 0 HD1 TYR A 97 5.314 -10.874 -23.484 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.865 -9.743 -19.372 1.00 1.00 H new ATOM 0 HE1 TYR A 97 7.760 -11.174 -23.724 1.00 1.00 H new ATOM 0 HE2 TYR A 97 8.308 -10.052 -19.618 1.00 1.00 H new ATOM 0 HH TYR A 97 9.994 -10.591 -20.974 1.00 1.00 H new ATOM 1491 N ILE A 98 0.984 -11.432 -20.168 1.00 1.00 N ATOM 1492 CA ILE A 98 -0.476 -11.377 -20.260 1.00 1.00 C ATOM 1493 C ILE A 98 -1.020 -10.455 -19.181 1.00 1.00 C ATOM 1494 O ILE A 98 -0.335 -10.140 -18.209 1.00 1.00 O ATOM 1495 CB ILE A 98 -1.063 -12.803 -20.123 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -0.625 -13.427 -18.768 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -0.562 -13.682 -21.291 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -1.319 -14.775 -18.547 1.00 1.00 C ATOM 0 H ILE A 98 1.339 -11.479 -19.213 1.00 1.00 H new ATOM 0 HA ILE A 98 -0.770 -10.980 -21.232 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.151 -12.749 -20.153 1.00 1.00 H new ATOM 0 HG12 ILE A 98 0.457 -13.562 -18.756 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -0.870 -12.747 -17.952 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -0.975 -14.686 -21.194 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -0.883 -13.247 -22.237 1.00 1.00 H new ATOM 0 HG23 ILE A 98 0.526 -13.734 -21.266 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -1.000 -15.196 -17.594 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -2.399 -14.631 -18.537 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -1.052 -15.458 -19.353 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.268 -10.048 -19.353 1.00 1.00 N ATOM 1511 CA ALA A 99 -2.944 -9.178 -18.397 1.00 1.00 C ATOM 1512 C ALA A 99 -4.438 -9.470 -18.442 1.00 1.00 C ATOM 1513 O ALA A 99 -4.989 -9.803 -19.491 1.00 1.00 O ATOM 1514 CB ALA A 99 -2.674 -7.711 -18.740 1.00 1.00 C ATOM 0 H ALA A 99 -2.841 -10.309 -20.155 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.567 -9.366 -17.392 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.183 -7.070 -18.021 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.602 -7.520 -18.702 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.045 -7.498 -19.742 1.00 1.00 H new ATOM 1520 N VAL A 100 -5.076 -9.357 -17.274 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.511 -9.618 -17.115 1.00 1.00 C ATOM 1522 C VAL A 100 -7.180 -8.400 -16.506 1.00 1.00 C ATOM 1523 O VAL A 100 -6.677 -7.824 -15.541 1.00 1.00 O ATOM 1524 CB VAL A 100 -6.738 -10.835 -16.182 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -8.247 -11.176 -16.086 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -5.965 -12.038 -16.743 1.00 1.00 C ATOM 0 H VAL A 100 -4.611 -9.081 -16.409 1.00 1.00 H new ATOM 0 HA VAL A 100 -6.939 -9.832 -18.094 1.00 1.00 H new ATOM 0 HB VAL A 100 -6.380 -10.594 -15.181 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -8.385 -12.033 -15.427 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -8.789 -10.319 -15.686 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -8.630 -11.416 -17.078 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -6.116 -12.902 -16.095 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -6.327 -12.268 -17.745 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -4.902 -11.799 -16.787 1.00 1.00 H new ATOM 1536 N TYR A 101 -8.331 -8.029 -17.063 1.00 1.00 N ATOM 1537 CA TYR A 101 -9.102 -6.891 -16.561 1.00 1.00 C ATOM 1538 C TYR A 101 -10.613 -7.160 -16.724 1.00 1.00 C ATOM 1539 O TYR A 101 -11.020 -7.776 -17.714 1.00 1.00 O ATOM 1540 CB TYR A 101 -8.707 -5.614 -17.312 1.00 1.00 C ATOM 1541 CG TYR A 101 -8.841 -5.842 -18.812 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -10.066 -5.602 -19.456 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -7.739 -6.291 -19.562 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -10.184 -5.807 -20.833 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -7.862 -6.495 -20.937 1.00 1.00 C ATOM 1546 CZ TYR A 101 -9.083 -6.253 -21.572 1.00 1.00 C ATOM 1547 OH TYR A 101 -9.202 -6.448 -22.930 1.00 1.00 O ATOM 0 H TYR A 101 -8.752 -8.500 -17.864 1.00 1.00 H new ATOM 0 HA TYR A 101 -8.882 -6.757 -15.502 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -9.344 -4.786 -17.001 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -7.682 -5.338 -17.066 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -10.917 -5.259 -18.886 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -6.795 -6.478 -19.072 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -11.126 -5.621 -21.327 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -7.014 -6.840 -21.510 1.00 1.00 H new ATOM 0 HH TYR A 101 -8.346 -6.758 -23.292 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.454 -6.724 -15.787 1.00 1.00 N ATOM 1558 CA PRO A 102 -12.930 -6.957 -15.885 1.00 1.00 C ATOM 1559 C PRO A 102 -13.555 -6.144 -17.027 1.00 1.00 C ATOM 1560 O PRO A 102 -13.213 -4.979 -17.233 1.00 1.00 O ATOM 1561 CB PRO A 102 -13.456 -6.522 -14.487 1.00 1.00 C ATOM 1562 CG PRO A 102 -12.456 -5.504 -14.000 1.00 1.00 C ATOM 1563 CD PRO A 102 -11.100 -5.975 -14.555 1.00 1.00 C ATOM 0 HA PRO A 102 -13.187 -7.990 -16.120 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.456 -6.093 -14.556 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -13.520 -7.371 -13.806 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -12.703 -4.505 -14.360 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -12.441 -5.456 -12.911 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -10.445 -5.132 -14.775 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -10.575 -6.609 -13.840 1.00 1.00 H new ATOM 1571 N THR A 103 -14.495 -6.760 -17.750 1.00 1.00 N ATOM 1572 CA THR A 103 -15.194 -6.082 -18.842 1.00 1.00 C ATOM 1573 C THR A 103 -16.310 -5.221 -18.267 1.00 1.00 C ATOM 1574 O THR A 103 -16.979 -5.615 -17.310 1.00 1.00 O ATOM 1575 CB THR A 103 -15.790 -7.125 -19.801 1.00 1.00 C ATOM 1576 OG1 THR A 103 -16.652 -7.988 -19.071 1.00 1.00 O ATOM 1577 CG2 THR A 103 -14.657 -7.938 -20.437 1.00 1.00 C ATOM 0 H THR A 103 -14.788 -7.725 -17.598 1.00 1.00 H new ATOM 0 HA THR A 103 -14.492 -5.453 -19.388 1.00 1.00 H new ATOM 0 HB THR A 103 -16.356 -6.626 -20.587 1.00 1.00 H new ATOM 0 HG1 THR A 103 -16.720 -8.850 -19.533 1.00 1.00 H new ATOM 0 HG21 THR A 103 -15.078 -8.678 -21.117 1.00 1.00 H new ATOM 0 HG22 THR A 103 -13.996 -7.271 -20.990 1.00 1.00 H new ATOM 0 HG23 THR A 103 -14.090 -8.444 -19.656 1.00 1.00 H new ATOM 1585 N GLN A 104 -16.513 -4.040 -18.856 1.00 1.00 N ATOM 1586 CA GLN A 104 -17.556 -3.116 -18.406 1.00 1.00 C ATOM 1587 C GLN A 104 -18.864 -3.422 -19.132 1.00 1.00 C ATOM 1588 O GLN A 104 -19.087 -2.957 -20.250 1.00 1.00 O ATOM 1589 CB GLN A 104 -17.124 -1.663 -18.701 1.00 1.00 C ATOM 1590 CG GLN A 104 -18.133 -0.671 -18.094 1.00 1.00 C ATOM 1591 CD GLN A 104 -17.680 0.765 -18.328 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -16.499 1.018 -18.569 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -18.563 1.722 -18.270 1.00 1.00 N ATOM 0 H GLN A 104 -15.967 -3.701 -19.648 1.00 1.00 H new ATOM 0 HA GLN A 104 -17.705 -3.237 -17.333 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -16.132 -1.481 -18.289 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -17.055 -1.509 -19.778 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -19.116 -0.825 -18.539 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -18.235 -0.856 -17.025 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -19.539 1.504 -18.070 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -18.278 2.689 -18.425 1.00 1.00 H new