USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 82 GLN : amide:sc= 0.692 X(o=1.5,f=1.6) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.824 USER MOD Set 2.1: A 41 TYR OH : rot -121:sc= 0.856 USER MOD Set 2.2: A 76 TYR OH : rot 77:sc= 2.22 USER MOD Set 2.3: A 93 TYR OH : rot 180:sc= 0.354 USER MOD Set 3.1: A 1 MET CE :methyl 147:sc= -0.054 (180deg=-0.488) USER MOD Set 3.2: A 1 MET N :NH3+ -169:sc= 2.41 (180deg=0.955) USER MOD Set 3.3: A 60 ASN : amide:sc= 0.715 K(o=3.1,f=-11!) USER MOD Single : A 6 TYR OH : rot -107:sc= -0.525! USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= -1.41! USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.34) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.378 F(o=-3.1!,f=-0.38) USER MOD Single : A 50 THR OG1 : rot -41:sc= 0.863 USER MOD Single : A 52 HIS : no HD1:sc= -0.656 K(o=-0.66,f=-2.9!) USER MOD Single : A 56 TYR OH : rot 3:sc= 0.773 USER MOD Single : A 62 THR OG1 : rot 48:sc= 0.648 USER MOD Single : A 71 THR OG1 : rot -113:sc= 1.25 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 83 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -142:sc= -0.516 (180deg=-1.76) USER MOD Single : A 91 TYR OH : rot 130:sc= 0.764 USER MOD Single : A 94 GLN : amide:sc= -2.43 X(o=-2.4,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 102:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.748 2.044 -12.619 1.00 0.00 N ATOM 2 CA MET A 1 5.588 2.558 -11.245 1.00 0.00 C ATOM 3 C MET A 1 5.158 1.434 -10.310 1.00 0.00 C ATOM 4 O MET A 1 4.421 0.532 -10.709 1.00 0.00 O ATOM 5 CB MET A 1 4.564 3.688 -11.198 1.00 0.00 C ATOM 6 CG MET A 1 4.453 4.329 -9.825 1.00 0.00 C ATOM 7 SD MET A 1 6.052 4.868 -9.175 1.00 0.00 S ATOM 8 CE MET A 1 6.591 5.998 -10.459 1.00 0.00 C ATOM 0 H1 MET A 1 6.216 2.763 -13.206 1.00 0.00 H new ATOM 0 H2 MET A 1 6.328 1.181 -12.601 1.00 0.00 H new ATOM 0 H3 MET A 1 4.813 1.825 -13.019 1.00 0.00 H new ATOM 0 HA MET A 1 6.551 2.951 -10.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.837 4.450 -11.928 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.589 3.300 -11.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.781 5.185 -9.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.005 3.617 -9.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.175 6.804 -10.013 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.206 5.461 -11.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.721 6.417 -10.964 1.00 0.00 H new ATOM 20 N ARG A 2 5.616 1.484 -9.069 1.00 0.00 N ATOM 21 CA ARG A 2 5.259 0.478 -8.089 1.00 0.00 C ATOM 22 C ARG A 2 4.411 1.072 -6.976 1.00 0.00 C ATOM 23 O ARG A 2 4.766 2.090 -6.381 1.00 0.00 O ATOM 24 CB ARG A 2 6.518 -0.161 -7.518 1.00 0.00 C ATOM 25 CG ARG A 2 7.054 -1.295 -8.372 1.00 0.00 C ATOM 26 CD ARG A 2 8.500 -1.608 -8.038 1.00 0.00 C ATOM 27 NE ARG A 2 9.401 -0.561 -8.512 1.00 0.00 N ATOM 28 CZ ARG A 2 10.622 -0.793 -8.990 1.00 0.00 C ATOM 29 NH1 ARG A 2 11.119 -2.026 -8.979 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.350 0.206 -9.474 1.00 0.00 N ATOM 0 H ARG A 2 6.237 2.213 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 2 4.665 -0.289 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.289 0.602 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.305 -0.538 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.444 -2.185 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.973 -1.028 -9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.608 -1.721 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.780 -2.561 -8.488 1.00 0.00 H new ATOM 0 HE ARG A 2 9.076 0.405 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.565 -2.796 -8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.054 -2.202 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.974 1.154 -9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.285 0.025 -9.839 1.00 0.00 H new ATOM 44 N ILE A 3 3.279 0.439 -6.715 1.00 0.00 N ATOM 45 CA ILE A 3 2.379 0.877 -5.663 1.00 0.00 C ATOM 46 C ILE A 3 2.044 -0.297 -4.751 1.00 0.00 C ATOM 47 O ILE A 3 1.862 -1.425 -5.221 1.00 0.00 O ATOM 48 CB ILE A 3 1.071 1.473 -6.244 1.00 0.00 C ATOM 49 CG1 ILE A 3 1.382 2.665 -7.158 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.129 1.900 -5.123 1.00 0.00 C ATOM 51 CD1 ILE A 3 0.156 3.269 -7.812 1.00 0.00 C ATOM 0 H ILE A 3 2.961 -0.387 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 3 2.883 1.658 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 3 0.578 0.700 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.889 3.435 -6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.076 2.344 -7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.783 2.315 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.121 1.035 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.616 2.655 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.455 4.106 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.340 2.514 -8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.530 3.622 -7.042 1.00 0.00 H new ATOM 63 N PHE A 4 1.993 -0.039 -3.455 1.00 0.00 N ATOM 64 CA PHE A 4 1.650 -1.066 -2.489 1.00 0.00 C ATOM 65 C PHE A 4 0.171 -0.963 -2.149 1.00 0.00 C ATOM 66 O PHE A 4 -0.261 -0.010 -1.501 1.00 0.00 O ATOM 67 CB PHE A 4 2.503 -0.922 -1.226 1.00 0.00 C ATOM 68 CG PHE A 4 2.343 -2.057 -0.252 1.00 0.00 C ATOM 69 CD1 PHE A 4 3.123 -3.197 -0.366 1.00 0.00 C ATOM 70 CD2 PHE A 4 1.417 -1.983 0.776 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.984 -4.242 0.526 1.00 0.00 C ATOM 72 CE2 PHE A 4 1.272 -3.025 1.670 1.00 0.00 C ATOM 73 CZ PHE A 4 2.057 -4.157 1.545 1.00 0.00 C ATOM 0 H PHE A 4 2.186 0.876 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 4 1.852 -2.046 -2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.552 -0.848 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.242 0.012 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.849 -3.269 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.802 -1.101 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.599 -5.124 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.546 -2.956 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.945 -4.973 2.244 1.00 0.00 H new ATOM 83 N VAL A 5 -0.604 -1.933 -2.600 1.00 0.00 N ATOM 84 CA VAL A 5 -2.043 -1.892 -2.419 1.00 0.00 C ATOM 85 C VAL A 5 -2.458 -2.670 -1.181 1.00 0.00 C ATOM 86 O VAL A 5 -2.419 -3.900 -1.150 1.00 0.00 O ATOM 87 CB VAL A 5 -2.791 -2.431 -3.651 1.00 0.00 C ATOM 88 CG1 VAL A 5 -4.295 -2.292 -3.472 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.329 -1.706 -4.903 1.00 0.00 C ATOM 0 H VAL A 5 -0.261 -2.757 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.317 -0.845 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.562 -3.491 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.804 -2.679 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.611 -2.856 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.550 -1.241 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.865 -2.096 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.531 -0.640 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.259 -1.861 -5.039 1.00 0.00 H new ATOM 99 N TYR A 6 -2.837 -1.931 -0.160 1.00 0.00 N ATOM 100 CA TYR A 6 -3.287 -2.507 1.093 1.00 0.00 C ATOM 101 C TYR A 6 -4.785 -2.790 1.042 1.00 0.00 C ATOM 102 O TYR A 6 -5.600 -2.047 1.588 1.00 0.00 O ATOM 103 CB TYR A 6 -2.933 -1.573 2.261 1.00 0.00 C ATOM 104 CG TYR A 6 -3.025 -0.100 1.912 1.00 0.00 C ATOM 105 CD1 TYR A 6 -2.016 0.530 1.186 1.00 0.00 C ATOM 106 CD2 TYR A 6 -4.119 0.659 2.299 1.00 0.00 C ATOM 107 CE1 TYR A 6 -2.098 1.867 0.860 1.00 0.00 C ATOM 108 CE2 TYR A 6 -4.207 1.998 1.975 1.00 0.00 C ATOM 109 CZ TYR A 6 -3.195 2.596 1.257 1.00 0.00 C ATOM 110 OH TYR A 6 -3.284 3.925 0.927 1.00 0.00 O ATOM 0 H TYR A 6 -2.842 -0.911 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.775 -3.456 1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.601 -1.782 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.921 -1.795 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.154 -0.040 0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.915 0.195 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.306 2.339 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.066 2.575 2.283 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.131 4.471 1.726 1.00 0.00 H new ATOM 357 N ALA A 22 -1.423 -4.264 -15.295 1.00 0.00 N ATOM 358 CA ALA A 22 -1.093 -4.520 -13.906 1.00 0.00 C ATOM 359 C ALA A 22 -0.399 -5.858 -13.761 1.00 0.00 C ATOM 360 O ALA A 22 -0.966 -6.907 -14.072 1.00 0.00 O ATOM 361 CB ALA A 22 -2.338 -4.486 -13.041 1.00 0.00 C ATOM 0 HA ALA A 22 -0.416 -3.734 -13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.066 -4.681 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.806 -3.504 -13.115 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.039 -5.249 -13.381 1.00 0.00 H new ATOM 367 N GLN A 23 0.837 -5.818 -13.307 1.00 0.00 N ATOM 368 CA GLN A 23 1.577 -7.033 -13.051 1.00 0.00 C ATOM 369 C GLN A 23 1.686 -7.250 -11.558 1.00 0.00 C ATOM 370 O GLN A 23 2.307 -6.450 -10.849 1.00 0.00 O ATOM 371 CB GLN A 23 2.976 -6.979 -13.666 1.00 0.00 C ATOM 372 CG GLN A 23 3.742 -8.283 -13.498 1.00 0.00 C ATOM 373 CD GLN A 23 5.183 -8.191 -13.946 1.00 0.00 C ATOM 374 OE1 GLN A 23 6.068 -7.862 -13.021 1.00 0.00 O flip ATOM 375 NE2 GLN A 23 5.501 -8.426 -15.110 1.00 0.00 N flip ATOM 0 H GLN A 23 1.348 -4.958 -13.108 1.00 0.00 H new ATOM 0 HA GLN A 23 1.040 -7.862 -13.512 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.893 -6.745 -14.727 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.540 -6.169 -13.204 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.713 -8.581 -12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.241 -9.067 -14.067 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.786 -8.677 -15.793 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.480 -8.370 -15.393 1.00 0.00 H new ATOM 384 N LEU A 24 1.059 -8.309 -11.081 1.00 0.00 N ATOM 385 CA LEU A 24 1.169 -8.676 -9.688 1.00 0.00 C ATOM 386 C LEU A 24 2.590 -9.112 -9.393 1.00 0.00 C ATOM 387 O LEU A 24 3.005 -10.208 -9.766 1.00 0.00 O ATOM 388 CB LEU A 24 0.185 -9.792 -9.334 1.00 0.00 C ATOM 389 CG LEU A 24 0.215 -10.252 -7.872 1.00 0.00 C ATOM 390 CD1 LEU A 24 -0.194 -9.120 -6.945 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.695 -11.452 -7.675 1.00 0.00 C ATOM 0 H LEU A 24 0.470 -8.927 -11.639 1.00 0.00 H new ATOM 0 HA LEU A 24 0.921 -7.808 -9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.824 -9.453 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.391 -10.651 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 24 1.236 -10.545 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.166 -9.467 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.495 -8.284 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.205 -8.795 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.662 -11.766 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.717 -11.181 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.360 -12.271 -8.311 1.00 0.00 H new ATOM 403 N LEU A 25 3.342 -8.225 -8.768 1.00 0.00 N ATOM 404 CA LEU A 25 4.697 -8.533 -8.344 1.00 0.00 C ATOM 405 C LEU A 25 4.653 -9.625 -7.296 1.00 0.00 C ATOM 406 O LEU A 25 5.553 -10.457 -7.188 1.00 0.00 O ATOM 407 CB LEU A 25 5.361 -7.281 -7.777 1.00 0.00 C ATOM 408 CG LEU A 25 5.694 -6.198 -8.805 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.250 -4.964 -8.122 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.694 -6.716 -9.822 1.00 0.00 C ATOM 0 H LEU A 25 3.035 -7.279 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 25 5.280 -8.877 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.704 -6.852 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.281 -7.574 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 25 4.772 -5.930 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.480 -4.206 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.512 -4.571 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.159 -5.226 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.918 -5.931 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.611 -7.012 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.273 -7.577 -10.341 1.00 0.00 H new ATOM 422 N GLY A 26 3.584 -9.591 -6.523 1.00 0.00 N ATOM 423 CA GLY A 26 3.317 -10.622 -5.555 1.00 0.00 C ATOM 424 C GLY A 26 2.737 -10.036 -4.296 1.00 0.00 C ATOM 425 O GLY A 26 3.201 -8.995 -3.830 1.00 0.00 O ATOM 0 H GLY A 26 2.884 -8.850 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.624 -11.351 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.238 -11.156 -5.322 1.00 0.00 H new ATOM 429 N ASP A 27 1.702 -10.660 -3.752 1.00 0.00 N ATOM 430 CA ASP A 27 1.168 -10.204 -2.486 1.00 0.00 C ATOM 431 C ASP A 27 2.144 -10.518 -1.377 1.00 0.00 C ATOM 432 O ASP A 27 2.589 -11.656 -1.197 1.00 0.00 O ATOM 433 CB ASP A 27 -0.234 -10.740 -2.169 1.00 0.00 C ATOM 434 CG ASP A 27 -0.496 -12.183 -2.584 1.00 0.00 C ATOM 435 OD1 ASP A 27 0.425 -12.864 -3.083 1.00 0.00 O ATOM 436 OD2 ASP A 27 -1.647 -12.645 -2.410 1.00 0.00 O ATOM 0 H ASP A 27 1.227 -11.465 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 27 1.043 -9.124 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.403 -10.653 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.968 -10.101 -2.660 1.00 0.00 H new ATOM 441 N PHE A 28 2.464 -9.483 -0.650 1.00 0.00 N ATOM 442 CA PHE A 28 3.561 -9.492 0.293 1.00 0.00 C ATOM 443 C PHE A 28 3.160 -8.749 1.557 1.00 0.00 C ATOM 444 O PHE A 28 2.831 -7.565 1.526 1.00 0.00 O ATOM 445 CB PHE A 28 4.802 -8.880 -0.387 1.00 0.00 C ATOM 446 CG PHE A 28 5.720 -8.098 0.506 1.00 0.00 C ATOM 447 CD1 PHE A 28 6.431 -8.711 1.525 1.00 0.00 C ATOM 448 CD2 PHE A 28 5.874 -6.737 0.311 1.00 0.00 C ATOM 449 CE1 PHE A 28 7.277 -7.972 2.333 1.00 0.00 C ATOM 450 CE2 PHE A 28 6.715 -5.996 1.112 1.00 0.00 C ATOM 451 CZ PHE A 28 7.418 -6.613 2.126 1.00 0.00 C ATOM 0 H PHE A 28 1.966 -8.594 -0.693 1.00 0.00 H new ATOM 0 HA PHE A 28 3.809 -10.511 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.374 -9.685 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.466 -8.226 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.324 -9.773 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.327 -6.248 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.827 -8.457 3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.824 -4.934 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.077 -6.035 2.757 1.00 0.00 H new ATOM 461 N SER A 29 3.167 -9.464 2.665 1.00 0.00 N ATOM 462 CA SER A 29 2.722 -8.907 3.922 1.00 0.00 C ATOM 463 C SER A 29 3.861 -8.174 4.625 1.00 0.00 C ATOM 464 O SER A 29 4.940 -8.734 4.834 1.00 0.00 O ATOM 465 CB SER A 29 2.160 -10.023 4.802 1.00 0.00 C ATOM 466 OG SER A 29 1.177 -10.768 4.099 1.00 0.00 O ATOM 0 H SER A 29 3.477 -10.434 2.718 1.00 0.00 H new ATOM 0 HA SER A 29 1.934 -8.178 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.967 -10.684 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.723 -9.596 5.705 1.00 0.00 H new ATOM 0 HG SER A 29 0.830 -11.479 4.677 1.00 0.00 H new ATOM 472 N ILE A 30 3.617 -6.915 4.969 1.00 0.00 N ATOM 473 CA ILE A 30 4.602 -6.108 5.669 1.00 0.00 C ATOM 474 C ILE A 30 4.275 -6.071 7.146 1.00 0.00 C ATOM 475 O ILE A 30 3.139 -5.799 7.532 1.00 0.00 O ATOM 476 CB ILE A 30 4.680 -4.662 5.128 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.296 -4.009 5.101 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.302 -4.641 3.747 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.302 -2.614 4.516 1.00 0.00 C ATOM 0 H ILE A 30 2.741 -6.432 4.772 1.00 0.00 H new ATOM 0 HA ILE A 30 5.573 -6.574 5.503 1.00 0.00 H new ATOM 0 HB ILE A 30 5.313 -4.086 5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.618 -4.635 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.902 -3.968 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.348 -3.614 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.310 -5.054 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.697 -5.240 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.290 -2.210 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.955 -1.973 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.666 -2.652 3.489 1.00 0.00 H new ATOM 491 N ASP A 31 5.264 -6.351 7.965 1.00 0.00 N ATOM 492 CA ASP A 31 5.055 -6.419 9.397 1.00 0.00 C ATOM 493 C ASP A 31 5.339 -5.064 10.029 1.00 0.00 C ATOM 494 O ASP A 31 6.032 -4.235 9.438 1.00 0.00 O ATOM 495 CB ASP A 31 5.945 -7.501 10.010 1.00 0.00 C ATOM 496 CG ASP A 31 5.529 -7.860 11.421 1.00 0.00 C ATOM 497 OD1 ASP A 31 4.353 -7.632 11.774 1.00 0.00 O ATOM 498 OD2 ASP A 31 6.374 -8.377 12.179 1.00 0.00 O ATOM 0 H ASP A 31 6.221 -6.536 7.666 1.00 0.00 H new ATOM 0 HA ASP A 31 4.015 -6.681 9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.909 -8.394 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.979 -7.157 10.016 1.00 0.00 H new ATOM 503 N ASN A 32 4.792 -4.853 11.224 1.00 0.00 N ATOM 504 CA ASN A 32 4.934 -3.595 11.961 1.00 0.00 C ATOM 505 C ASN A 32 4.079 -2.484 11.348 1.00 0.00 C ATOM 506 O ASN A 32 4.419 -1.304 11.447 1.00 0.00 O ATOM 507 CB ASN A 32 6.402 -3.151 12.043 1.00 0.00 C ATOM 508 CG ASN A 32 7.266 -4.126 12.819 1.00 0.00 C ATOM 509 OD1 ASN A 32 7.368 -4.039 14.042 1.00 0.00 O ATOM 510 ND2 ASN A 32 7.912 -5.047 12.118 1.00 0.00 N ATOM 0 H ASN A 32 4.234 -5.553 11.713 1.00 0.00 H new ATOM 0 HA ASN A 32 4.577 -3.781 12.974 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.801 -3.041 11.035 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.455 -2.170 12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.519 -5.716 12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.802 -5.087 11.105 1.00 0.00 H new ATOM 517 N TYR A 33 2.957 -2.855 10.739 1.00 0.00 N ATOM 518 CA TYR A 33 2.007 -1.872 10.220 1.00 0.00 C ATOM 519 C TYR A 33 0.578 -2.223 10.631 1.00 0.00 C ATOM 520 O TYR A 33 0.291 -3.348 11.024 1.00 0.00 O ATOM 521 CB TYR A 33 2.103 -1.760 8.695 1.00 0.00 C ATOM 522 CG TYR A 33 3.426 -1.215 8.202 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.665 0.153 8.176 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.435 -2.064 7.768 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.869 0.660 7.732 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.642 -1.565 7.321 1.00 0.00 C ATOM 527 CZ TYR A 33 5.855 -0.203 7.306 1.00 0.00 C ATOM 528 OH TYR A 33 7.057 0.294 6.861 1.00 0.00 O ATOM 0 H TYR A 33 2.682 -3.826 10.592 1.00 0.00 H new ATOM 0 HA TYR A 33 2.267 -0.906 10.653 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.941 -2.745 8.257 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.300 -1.116 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.894 0.832 8.509 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.273 -3.132 7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.038 1.727 7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.416 -2.239 6.984 1.00 0.00 H new ATOM 0 HH TYR A 33 7.641 -0.448 6.599 1.00 0.00 H new ATOM 538 N GLN A 34 -0.311 -1.246 10.547 1.00 0.00 N ATOM 539 CA GLN A 34 -1.708 -1.432 10.921 1.00 0.00 C ATOM 540 C GLN A 34 -2.611 -1.063 9.752 1.00 0.00 C ATOM 541 O GLN A 34 -2.243 -0.233 8.918 1.00 0.00 O ATOM 542 CB GLN A 34 -2.059 -0.562 12.132 1.00 0.00 C ATOM 543 CG GLN A 34 -1.147 -0.781 13.327 1.00 0.00 C ATOM 544 CD GLN A 34 -1.458 0.147 14.486 1.00 0.00 C ATOM 545 OE1 GLN A 34 -2.247 -0.185 15.371 1.00 0.00 O ATOM 546 NE2 GLN A 34 -0.837 1.317 14.489 1.00 0.00 N ATOM 0 H GLN A 34 -0.088 -0.306 10.220 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.860 -2.479 11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.014 0.487 11.840 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.088 -0.766 12.429 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.237 -1.814 13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.112 -0.635 13.019 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.190 1.553 13.736 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.005 1.982 15.244 1.00 0.00 H new ATOM 555 N LEU A 35 -3.786 -1.672 9.690 1.00 0.00 N ATOM 556 CA LEU A 35 -4.732 -1.385 8.623 1.00 0.00 C ATOM 557 C LEU A 35 -6.036 -0.825 9.181 1.00 0.00 C ATOM 558 O LEU A 35 -6.657 -1.423 10.052 1.00 0.00 O ATOM 559 CB LEU A 35 -5.028 -2.650 7.814 1.00 0.00 C ATOM 560 CG LEU A 35 -5.991 -2.460 6.640 1.00 0.00 C ATOM 561 CD1 LEU A 35 -5.340 -1.637 5.541 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.456 -3.806 6.103 1.00 0.00 C ATOM 0 H LEU A 35 -4.106 -2.367 10.365 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.278 -0.637 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.087 -3.046 7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.442 -3.403 8.485 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.865 -1.917 6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.041 -1.513 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.065 -0.658 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.446 -2.149 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.140 -3.648 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.594 -4.379 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.968 -4.356 6.893 1.00 0.00 H new ATOM 574 N TYR A 36 -6.439 0.325 8.677 1.00 0.00 N ATOM 575 CA TYR A 36 -7.721 0.907 9.025 1.00 0.00 C ATOM 576 C TYR A 36 -8.778 0.464 8.026 1.00 0.00 C ATOM 577 O TYR A 36 -8.545 0.482 6.815 1.00 0.00 O ATOM 578 CB TYR A 36 -7.632 2.432 9.038 1.00 0.00 C ATOM 579 CG TYR A 36 -6.644 2.976 10.044 1.00 0.00 C ATOM 580 CD1 TYR A 36 -6.868 2.836 11.406 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.488 3.627 9.632 1.00 0.00 C ATOM 582 CE1 TYR A 36 -5.968 3.327 12.330 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.583 4.123 10.550 1.00 0.00 C ATOM 584 CZ TYR A 36 -4.830 3.969 11.900 1.00 0.00 C ATOM 585 OH TYR A 36 -3.936 4.462 12.823 1.00 0.00 O ATOM 0 H TYR A 36 -5.891 0.879 8.019 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.998 0.564 10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.352 2.779 8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.619 2.843 9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.761 2.335 11.749 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.294 3.747 8.576 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.157 3.208 13.387 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.689 4.627 10.215 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.964 3.910 13.633 1.00 0.00 H new ATOM 595 N SER A 37 -9.935 0.077 8.529 1.00 0.00 N ATOM 596 CA SER A 37 -11.007 -0.404 7.681 1.00 0.00 C ATOM 597 C SER A 37 -12.248 0.449 7.877 1.00 0.00 C ATOM 598 O SER A 37 -13.008 0.259 8.829 1.00 0.00 O ATOM 599 CB SER A 37 -11.312 -1.876 7.974 1.00 0.00 C ATOM 600 OG SER A 37 -12.258 -2.392 7.051 1.00 0.00 O ATOM 0 H SER A 37 -10.156 0.087 9.525 1.00 0.00 H new ATOM 0 HA SER A 37 -10.689 -0.327 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.392 -2.459 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.696 -1.977 8.989 1.00 0.00 H new ATOM 0 HG SER A 37 -12.436 -3.333 7.257 1.00 0.00 H new ATOM 606 N LEU A 38 -12.428 1.416 6.990 1.00 0.00 N ATOM 607 CA LEU A 38 -13.582 2.299 7.041 1.00 0.00 C ATOM 608 C LEU A 38 -14.621 1.884 6.007 1.00 0.00 C ATOM 609 O LEU A 38 -15.514 2.656 5.654 1.00 0.00 O ATOM 610 CB LEU A 38 -13.168 3.774 6.852 1.00 0.00 C ATOM 611 CG LEU A 38 -11.977 4.040 5.926 1.00 0.00 C ATOM 612 CD1 LEU A 38 -12.053 5.452 5.369 1.00 0.00 C ATOM 613 CD2 LEU A 38 -10.657 3.857 6.667 1.00 0.00 C ATOM 0 H LEU A 38 -11.785 1.609 6.222 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.031 2.209 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.028 4.322 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.937 4.191 7.832 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.020 3.322 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.202 5.630 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.978 5.571 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.034 6.169 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.828 4.052 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.610 4.553 7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.588 2.835 7.040 1.00 0.00 H new ATOM 625 N GLY A 39 -14.499 0.647 5.532 1.00 0.00 N ATOM 626 CA GLY A 39 -15.456 0.099 4.585 1.00 0.00 C ATOM 627 C GLY A 39 -15.282 0.650 3.183 1.00 0.00 C ATOM 628 O GLY A 39 -15.107 -0.105 2.228 1.00 0.00 O ATOM 0 H GLY A 39 -13.746 0.009 5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.353 -0.986 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.467 0.315 4.932 1.00 0.00 H new ATOM 632 N HIS A 40 -15.331 1.972 3.071 1.00 0.00 N ATOM 633 CA HIS A 40 -15.184 2.656 1.792 1.00 0.00 C ATOM 634 C HIS A 40 -13.845 2.307 1.151 1.00 0.00 C ATOM 635 O HIS A 40 -13.784 1.887 -0.003 1.00 0.00 O ATOM 636 CB HIS A 40 -15.288 4.176 1.985 1.00 0.00 C ATOM 637 CG HIS A 40 -16.624 4.655 2.476 1.00 0.00 C ATOM 638 ND1 HIS A 40 -16.868 5.019 3.785 1.00 0.00 N ATOM 639 CD2 HIS A 40 -17.785 4.861 1.810 1.00 0.00 C ATOM 640 CE1 HIS A 40 -18.119 5.423 3.900 1.00 0.00 C ATOM 641 NE2 HIS A 40 -18.698 5.339 2.717 1.00 0.00 N ATOM 0 H HIS A 40 -15.473 2.599 3.863 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.987 2.326 1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.521 4.492 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -15.068 4.665 1.036 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.960 4.682 0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.590 5.765 4.810 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -19.665 5.588 2.510 1.00 0.00 H new ATOM 650 N TYR A 41 -12.781 2.474 1.922 1.00 0.00 N ATOM 651 CA TYR A 41 -11.430 2.215 1.450 1.00 0.00 C ATOM 652 C TYR A 41 -10.495 2.013 2.640 1.00 0.00 C ATOM 653 O TYR A 41 -10.612 2.712 3.643 1.00 0.00 O ATOM 654 CB TYR A 41 -10.937 3.374 0.566 1.00 0.00 C ATOM 655 CG TYR A 41 -10.997 4.741 1.226 1.00 0.00 C ATOM 656 CD1 TYR A 41 -12.206 5.416 1.370 1.00 0.00 C ATOM 657 CD2 TYR A 41 -9.845 5.360 1.694 1.00 0.00 C ATOM 658 CE1 TYR A 41 -12.266 6.661 1.961 1.00 0.00 C ATOM 659 CE2 TYR A 41 -9.898 6.608 2.289 1.00 0.00 C ATOM 660 CZ TYR A 41 -11.110 7.253 2.419 1.00 0.00 C ATOM 661 OH TYR A 41 -11.168 8.494 3.014 1.00 0.00 O ATOM 0 H TYR A 41 -12.830 2.792 2.890 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.434 1.306 0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.908 3.174 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.534 3.398 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.115 4.956 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.893 4.860 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.214 7.168 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.994 7.075 2.650 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.601 9.121 2.519 1.00 0.00 H new ATOM 671 N PRO A 42 -9.584 1.035 2.565 1.00 0.00 N ATOM 672 CA PRO A 42 -8.627 0.754 3.639 1.00 0.00 C ATOM 673 C PRO A 42 -7.498 1.780 3.697 1.00 0.00 C ATOM 674 O PRO A 42 -7.234 2.488 2.722 1.00 0.00 O ATOM 675 CB PRO A 42 -8.065 -0.632 3.283 1.00 0.00 C ATOM 676 CG PRO A 42 -8.880 -1.120 2.128 1.00 0.00 C ATOM 677 CD PRO A 42 -9.417 0.103 1.448 1.00 0.00 C ATOM 0 HA PRO A 42 -9.105 0.794 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.010 -0.569 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.141 -1.314 4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.271 -1.710 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.691 -1.764 2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.726 0.487 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.361 -0.096 0.940 1.00 0.00 H new ATOM 685 N GLY A 43 -6.844 1.859 4.848 1.00 0.00 N ATOM 686 CA GLY A 43 -5.710 2.747 5.013 1.00 0.00 C ATOM 687 C GLY A 43 -4.664 2.151 5.933 1.00 0.00 C ATOM 688 O GLY A 43 -4.974 1.775 7.056 1.00 0.00 O ATOM 0 H GLY A 43 -7.082 1.317 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.264 2.954 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.050 3.701 5.417 1.00 0.00 H new ATOM 692 N ALA A 44 -3.431 2.056 5.465 1.00 0.00 N ATOM 693 CA ALA A 44 -2.381 1.398 6.234 1.00 0.00 C ATOM 694 C ALA A 44 -1.383 2.408 6.796 1.00 0.00 C ATOM 695 O ALA A 44 -1.068 3.408 6.150 1.00 0.00 O ATOM 696 CB ALA A 44 -1.671 0.361 5.376 1.00 0.00 C ATOM 0 H ALA A 44 -3.131 2.423 4.562 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.849 0.894 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.890 -0.123 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.389 -0.387 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.225 0.849 4.510 1.00 0.00 H new ATOM 702 N VAL A 45 -0.888 2.132 7.999 1.00 0.00 N ATOM 703 CA VAL A 45 0.066 3.009 8.677 1.00 0.00 C ATOM 704 C VAL A 45 1.056 2.170 9.476 1.00 0.00 C ATOM 705 O VAL A 45 0.801 0.995 9.715 1.00 0.00 O ATOM 706 CB VAL A 45 -0.626 3.994 9.652 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.625 4.881 8.928 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.298 3.245 10.790 1.00 0.00 C ATOM 0 H VAL A 45 -1.135 1.298 8.531 1.00 0.00 H new ATOM 0 HA VAL A 45 0.570 3.586 7.902 1.00 0.00 H new ATOM 0 HB VAL A 45 0.146 4.638 10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.092 5.560 9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.109 5.459 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.391 4.261 8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.777 3.957 11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.049 2.566 10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.551 2.673 11.341 1.00 0.00 H new ATOM 718 N PRO A 46 2.200 2.744 9.887 1.00 0.00 N ATOM 719 CA PRO A 46 3.152 2.049 10.763 1.00 0.00 C ATOM 720 C PRO A 46 2.551 1.741 12.135 1.00 0.00 C ATOM 721 O PRO A 46 1.834 2.562 12.714 1.00 0.00 O ATOM 722 CB PRO A 46 4.323 3.033 10.889 1.00 0.00 C ATOM 723 CG PRO A 46 3.762 4.361 10.513 1.00 0.00 C ATOM 724 CD PRO A 46 2.671 4.090 9.518 1.00 0.00 C ATOM 0 HA PRO A 46 3.447 1.081 10.357 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.718 3.046 11.905 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.145 2.753 10.231 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.370 4.880 11.388 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.532 5.001 10.081 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.872 4.828 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.044 4.119 8.494 1.00 0.00 H new ATOM 732 N GLY A 47 2.836 0.552 12.645 1.00 0.00 N ATOM 733 CA GLY A 47 2.309 0.140 13.930 1.00 0.00 C ATOM 734 C GLY A 47 2.837 -1.216 14.350 1.00 0.00 C ATOM 735 O GLY A 47 4.048 -1.400 14.479 1.00 0.00 O ATOM 0 H GLY A 47 3.428 -0.141 12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.572 0.881 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.221 0.107 13.882 1.00 0.00 H new ATOM 739 N ASN A 48 1.938 -2.171 14.552 1.00 0.00 N ATOM 740 CA ASN A 48 2.334 -3.518 14.934 1.00 0.00 C ATOM 741 C ASN A 48 1.381 -4.535 14.319 1.00 0.00 C ATOM 742 O ASN A 48 0.364 -4.892 14.912 1.00 0.00 O ATOM 743 CB ASN A 48 2.359 -3.658 16.463 1.00 0.00 C ATOM 744 CG ASN A 48 3.088 -4.902 16.961 1.00 0.00 C ATOM 745 OD1 ASN A 48 2.950 -6.018 16.261 1.00 0.00 O flip ATOM 746 ND2 ASN A 48 3.755 -4.861 17.993 1.00 0.00 N flip ATOM 0 H ASN A 48 0.931 -2.037 14.458 1.00 0.00 H new ATOM 0 HA ASN A 48 3.339 -3.708 14.558 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.835 -2.775 16.891 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.334 -3.678 16.832 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.842 -3.986 18.510 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.221 -5.702 18.333 1.00 0.00 H new ATOM 753 N GLY A 49 1.703 -4.968 13.114 1.00 0.00 N ATOM 754 CA GLY A 49 0.908 -5.975 12.439 1.00 0.00 C ATOM 755 C GLY A 49 1.451 -6.283 11.063 1.00 0.00 C ATOM 756 O GLY A 49 2.240 -5.511 10.526 1.00 0.00 O ATOM 0 H GLY A 49 2.509 -4.638 12.584 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.891 -6.887 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.122 -5.630 12.355 1.00 0.00 H new ATOM 760 N THR A 50 1.030 -7.393 10.485 1.00 0.00 N ATOM 761 CA THR A 50 1.549 -7.812 9.197 1.00 0.00 C ATOM 762 C THR A 50 0.487 -7.659 8.097 1.00 0.00 C ATOM 763 O THR A 50 -0.384 -8.511 7.933 1.00 0.00 O ATOM 764 CB THR A 50 2.035 -9.272 9.263 1.00 0.00 C ATOM 765 OG1 THR A 50 2.645 -9.526 10.541 1.00 0.00 O ATOM 766 CG2 THR A 50 3.043 -9.560 8.165 1.00 0.00 C ATOM 0 H THR A 50 0.332 -8.019 10.886 1.00 0.00 H new ATOM 0 HA THR A 50 2.393 -7.168 8.950 1.00 0.00 H new ATOM 0 HB THR A 50 1.171 -9.923 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.198 -8.759 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.370 -10.597 8.234 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.581 -9.389 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.903 -8.900 8.278 1.00 0.00 H new ATOM 774 N VAL A 51 0.583 -6.581 7.324 1.00 0.00 N ATOM 775 CA VAL A 51 -0.448 -6.236 6.349 1.00 0.00 C ATOM 776 C VAL A 51 -0.239 -7.009 5.054 1.00 0.00 C ATOM 777 O VAL A 51 0.808 -6.896 4.422 1.00 0.00 O ATOM 778 CB VAL A 51 -0.452 -4.722 6.046 1.00 0.00 C ATOM 779 CG1 VAL A 51 -1.556 -4.369 5.057 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.608 -3.917 7.328 1.00 0.00 C ATOM 0 H VAL A 51 1.367 -5.929 7.354 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.410 -6.507 6.783 1.00 0.00 H new ATOM 0 HB VAL A 51 0.506 -4.466 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.538 -3.297 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.397 -4.912 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.523 -4.645 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.608 -2.853 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.548 -4.182 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.221 -4.139 8.000 1.00 0.00 H new ATOM 790 N HIS A 52 -1.250 -7.782 4.663 1.00 0.00 N ATOM 791 CA HIS A 52 -1.150 -8.683 3.516 1.00 0.00 C ATOM 792 C HIS A 52 -1.286 -7.908 2.200 1.00 0.00 C ATOM 793 O HIS A 52 -2.111 -8.256 1.358 1.00 0.00 O ATOM 794 CB HIS A 52 -2.279 -9.727 3.570 1.00 0.00 C ATOM 795 CG HIS A 52 -2.412 -10.522 4.845 1.00 0.00 C ATOM 796 ND1 HIS A 52 -1.874 -10.149 6.062 1.00 0.00 N ATOM 797 CD2 HIS A 52 -3.079 -11.677 5.080 1.00 0.00 C ATOM 798 CE1 HIS A 52 -2.208 -11.038 6.981 1.00 0.00 C ATOM 799 NE2 HIS A 52 -2.944 -11.976 6.412 1.00 0.00 N ATOM 0 H HIS A 52 -2.157 -7.802 5.129 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.175 -9.168 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.224 -9.215 3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.134 -10.427 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.621 -12.259 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.926 -11.003 8.023 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.345 -12.787 6.884 1.00 0.00 H new ATOM 808 N GLY A 53 -0.440 -6.911 1.995 1.00 0.00 N ATOM 809 CA GLY A 53 -0.614 -6.008 0.869 1.00 0.00 C ATOM 810 C GLY A 53 -0.228 -6.615 -0.467 1.00 0.00 C ATOM 811 O GLY A 53 0.584 -7.537 -0.531 1.00 0.00 O ATOM 0 H GLY A 53 0.366 -6.708 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.656 -5.692 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.016 -5.113 1.037 1.00 0.00 H new ATOM 815 N GLU A 54 -0.814 -6.089 -1.533 1.00 0.00 N ATOM 816 CA GLU A 54 -0.511 -6.535 -2.884 1.00 0.00 C ATOM 817 C GLU A 54 0.446 -5.548 -3.551 1.00 0.00 C ATOM 818 O GLU A 54 0.129 -4.366 -3.688 1.00 0.00 O ATOM 819 CB GLU A 54 -1.800 -6.647 -3.709 1.00 0.00 C ATOM 820 CG GLU A 54 -2.877 -7.510 -3.066 1.00 0.00 C ATOM 821 CD GLU A 54 -4.130 -7.642 -3.922 1.00 0.00 C ATOM 822 OE1 GLU A 54 -4.251 -6.931 -4.941 1.00 0.00 O ATOM 823 OE2 GLU A 54 -5.000 -8.473 -3.580 1.00 0.00 O ATOM 0 H GLU A 54 -1.510 -5.345 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.040 -7.517 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.201 -5.647 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.557 -7.058 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.471 -8.503 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.148 -7.083 -2.100 1.00 0.00 H new ATOM 830 N VAL A 55 1.618 -6.022 -3.955 1.00 0.00 N ATOM 831 CA VAL A 55 2.595 -5.158 -4.612 1.00 0.00 C ATOM 832 C VAL A 55 2.433 -5.254 -6.125 1.00 0.00 C ATOM 833 O VAL A 55 2.480 -6.347 -6.693 1.00 0.00 O ATOM 834 CB VAL A 55 4.046 -5.524 -4.220 1.00 0.00 C ATOM 835 CG1 VAL A 55 5.027 -4.446 -4.667 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.153 -5.758 -2.723 1.00 0.00 C ATOM 0 H VAL A 55 1.915 -6.991 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 55 2.408 -4.136 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 55 4.308 -6.449 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.038 -4.732 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.977 -4.335 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.768 -3.499 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.181 -6.014 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.862 -4.852 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.493 -6.576 -2.434 1.00 0.00 H new ATOM 846 N TYR A 56 2.221 -4.118 -6.779 1.00 0.00 N ATOM 847 CA TYR A 56 1.949 -4.113 -8.210 1.00 0.00 C ATOM 848 C TYR A 56 2.940 -3.274 -8.997 1.00 0.00 C ATOM 849 O TYR A 56 3.426 -2.242 -8.527 1.00 0.00 O ATOM 850 CB TYR A 56 0.541 -3.588 -8.492 1.00 0.00 C ATOM 851 CG TYR A 56 -0.544 -4.607 -8.281 1.00 0.00 C ATOM 852 CD1 TYR A 56 -1.126 -4.782 -7.037 1.00 0.00 C ATOM 853 CD2 TYR A 56 -0.987 -5.396 -9.333 1.00 0.00 C ATOM 854 CE1 TYR A 56 -2.119 -5.712 -6.844 1.00 0.00 C ATOM 855 CE2 TYR A 56 -1.983 -6.331 -9.149 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.544 -6.486 -7.897 1.00 0.00 C ATOM 857 OH TYR A 56 -3.536 -7.411 -7.691 1.00 0.00 O ATOM 0 H TYR A 56 2.232 -3.195 -6.345 1.00 0.00 H new ATOM 0 HA TYR A 56 2.044 -5.149 -8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.349 -2.729 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.496 -3.232 -9.521 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.794 -4.178 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.545 -5.276 -10.311 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.564 -5.834 -5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.321 -6.937 -9.977 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.851 -7.352 -6.765 1.00 0.00 H new ATOM 867 N ARG A 57 3.220 -3.733 -10.207 1.00 0.00 N ATOM 868 CA ARG A 57 3.974 -2.956 -11.170 1.00 0.00 C ATOM 869 C ARG A 57 3.021 -2.441 -12.237 1.00 0.00 C ATOM 870 O ARG A 57 2.571 -3.204 -13.097 1.00 0.00 O ATOM 871 CB ARG A 57 5.063 -3.808 -11.820 1.00 0.00 C ATOM 872 CG ARG A 57 5.949 -3.026 -12.776 1.00 0.00 C ATOM 873 CD ARG A 57 6.040 -3.698 -14.137 1.00 0.00 C ATOM 874 NE ARG A 57 4.741 -3.764 -14.812 1.00 0.00 N ATOM 875 CZ ARG A 57 4.590 -3.992 -16.117 1.00 0.00 C ATOM 876 NH1 ARG A 57 5.662 -4.148 -16.888 1.00 0.00 N ATOM 877 NH2 ARG A 57 3.371 -4.047 -16.649 1.00 0.00 N ATOM 0 H ARG A 57 2.931 -4.651 -10.545 1.00 0.00 H new ATOM 0 HA ARG A 57 4.454 -2.121 -10.659 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.683 -4.249 -11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.596 -4.632 -12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.555 -2.017 -12.894 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.948 -2.930 -12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.745 -3.151 -14.763 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.436 -4.706 -14.016 1.00 0.00 H new ATOM 0 HE ARG A 57 3.901 -3.627 -14.249 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.596 -4.093 -16.481 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.551 -4.323 -17.887 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.550 -3.915 -16.058 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.258 -4.222 -17.648 1.00 0.00 H new ATOM 891 N ILE A 58 2.696 -1.165 -12.166 1.00 0.00 N ATOM 892 CA ILE A 58 1.760 -0.563 -13.100 1.00 0.00 C ATOM 893 C ILE A 58 2.390 0.623 -13.807 1.00 0.00 C ATOM 894 O ILE A 58 3.458 1.085 -13.415 1.00 0.00 O ATOM 895 CB ILE A 58 0.441 -0.137 -12.404 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.701 0.524 -11.040 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.478 -1.335 -12.242 1.00 0.00 C ATOM 898 CD1 ILE A 58 1.183 1.957 -11.119 1.00 0.00 C ATOM 0 H ILE A 58 3.068 -0.521 -11.468 1.00 0.00 H new ATOM 0 HA ILE A 58 1.513 -1.323 -13.841 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.043 0.604 -13.041 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.218 0.495 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.441 -0.066 -10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.400 -1.023 -11.752 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.711 -1.750 -13.223 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.016 -2.093 -11.635 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.341 2.344 -10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.121 1.995 -11.674 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.435 2.565 -11.628 1.00 0.00 H new ATOM 910 N ASP A 59 1.736 1.089 -14.857 1.00 0.00 N ATOM 911 CA ASP A 59 2.188 2.254 -15.615 1.00 0.00 C ATOM 912 C ASP A 59 2.482 3.453 -14.705 1.00 0.00 C ATOM 913 O ASP A 59 1.712 3.762 -13.794 1.00 0.00 O ATOM 914 CB ASP A 59 1.132 2.615 -16.665 1.00 0.00 C ATOM 915 CG ASP A 59 1.183 4.068 -17.083 1.00 0.00 C ATOM 916 OD1 ASP A 59 2.228 4.516 -17.596 1.00 0.00 O ATOM 917 OD2 ASP A 59 0.166 4.765 -16.896 1.00 0.00 O ATOM 0 H ASP A 59 0.875 0.673 -15.212 1.00 0.00 H new ATOM 0 HA ASP A 59 3.125 1.998 -16.110 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.272 1.985 -17.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.142 2.392 -16.267 1.00 0.00 H new ATOM 922 N ASN A 60 3.612 4.115 -14.965 1.00 0.00 N ATOM 923 CA ASN A 60 4.039 5.288 -14.193 1.00 0.00 C ATOM 924 C ASN A 60 2.946 6.363 -14.170 1.00 0.00 C ATOM 925 O ASN A 60 2.685 6.986 -13.134 1.00 0.00 O ATOM 926 CB ASN A 60 5.316 5.892 -14.794 1.00 0.00 C ATOM 927 CG ASN A 60 6.560 5.067 -14.516 1.00 0.00 C ATOM 928 OD1 ASN A 60 6.673 4.423 -13.475 1.00 0.00 O ATOM 929 ND2 ASN A 60 7.505 5.083 -15.442 1.00 0.00 N ATOM 0 H ASN A 60 4.255 3.856 -15.713 1.00 0.00 H new ATOM 0 HA ASN A 60 4.233 4.954 -13.174 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.189 5.993 -15.872 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.458 6.896 -14.394 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.363 4.549 -15.304 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.375 5.629 -16.293 1.00 0.00 H new ATOM 936 N ALA A 61 2.298 6.566 -15.316 1.00 0.00 N ATOM 937 CA ALA A 61 1.298 7.622 -15.462 1.00 0.00 C ATOM 938 C ALA A 61 0.036 7.310 -14.663 1.00 0.00 C ATOM 939 O ALA A 61 -0.633 8.216 -14.172 1.00 0.00 O ATOM 940 CB ALA A 61 0.963 7.839 -16.930 1.00 0.00 C ATOM 0 H ALA A 61 2.448 6.011 -16.159 1.00 0.00 H new ATOM 0 HA ALA A 61 1.724 8.542 -15.061 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.217 8.629 -17.020 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.865 8.128 -17.470 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.567 6.916 -17.353 1.00 0.00 H new ATOM 946 N THR A 62 -0.287 6.029 -14.545 1.00 0.00 N ATOM 947 CA THR A 62 -1.395 5.586 -13.712 1.00 0.00 C ATOM 948 C THR A 62 -1.213 6.079 -12.270 1.00 0.00 C ATOM 949 O THR A 62 -2.183 6.378 -11.577 1.00 0.00 O ATOM 950 CB THR A 62 -1.530 4.047 -13.748 1.00 0.00 C ATOM 951 OG1 THR A 62 -1.693 3.612 -15.110 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.718 3.566 -12.917 1.00 0.00 C ATOM 0 H THR A 62 0.207 5.274 -15.020 1.00 0.00 H new ATOM 0 HA THR A 62 -2.314 6.015 -14.111 1.00 0.00 H new ATOM 0 HB THR A 62 -0.623 3.620 -13.320 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.022 4.048 -15.675 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.780 2.479 -12.967 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.586 3.875 -11.880 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.637 4.001 -13.310 1.00 0.00 H new ATOM 960 N LEU A 63 0.040 6.185 -11.840 1.00 0.00 N ATOM 961 CA LEU A 63 0.354 6.738 -10.527 1.00 0.00 C ATOM 962 C LEU A 63 0.014 8.212 -10.512 1.00 0.00 C ATOM 963 O LEU A 63 -0.661 8.694 -9.606 1.00 0.00 O ATOM 964 CB LEU A 63 1.833 6.574 -10.173 1.00 0.00 C ATOM 965 CG LEU A 63 2.275 7.357 -8.929 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.852 6.645 -7.652 1.00 0.00 C ATOM 967 CD2 LEU A 63 3.773 7.599 -8.939 1.00 0.00 C ATOM 0 H LEU A 63 0.855 5.895 -12.381 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.235 6.192 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.042 5.516 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.436 6.894 -11.023 1.00 0.00 H new ATOM 0 HG LEU A 63 1.776 8.326 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.179 7.223 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.767 6.546 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.307 5.655 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.058 8.156 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.296 6.643 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.043 8.173 -9.826 1.00 0.00 H new ATOM 979 N ALA A 64 0.499 8.913 -11.532 1.00 0.00 N ATOM 980 CA ALA A 64 0.257 10.341 -11.671 1.00 0.00 C ATOM 981 C ALA A 64 -1.233 10.634 -11.734 1.00 0.00 C ATOM 982 O ALA A 64 -1.696 11.675 -11.263 1.00 0.00 O ATOM 983 CB ALA A 64 0.959 10.879 -12.907 1.00 0.00 C ATOM 0 H ALA A 64 1.066 8.510 -12.278 1.00 0.00 H new ATOM 0 HA ALA A 64 0.664 10.843 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.768 11.948 -12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.032 10.708 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.581 10.367 -13.792 1.00 0.00 H new ATOM 989 N GLU A 65 -1.992 9.709 -12.305 1.00 0.00 N ATOM 990 CA GLU A 65 -3.435 9.875 -12.363 1.00 0.00 C ATOM 991 C GLU A 65 -4.035 9.595 -10.992 1.00 0.00 C ATOM 992 O GLU A 65 -4.928 10.303 -10.530 1.00 0.00 O ATOM 993 CB GLU A 65 -4.057 8.953 -13.412 1.00 0.00 C ATOM 994 CG GLU A 65 -5.540 9.204 -13.631 1.00 0.00 C ATOM 995 CD GLU A 65 -6.116 8.327 -14.718 1.00 0.00 C ATOM 996 OE1 GLU A 65 -5.791 8.555 -15.902 1.00 0.00 O ATOM 997 OE2 GLU A 65 -6.899 7.413 -14.396 1.00 0.00 O ATOM 0 H GLU A 65 -1.639 8.850 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.654 10.903 -12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.530 9.083 -14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.912 7.917 -13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.078 9.025 -12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.694 10.251 -13.892 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.506 8.568 -10.340 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.975 8.154 -9.028 1.00 0.00 C ATOM 1006 C LEU A 66 -3.712 9.230 -7.981 1.00 0.00 C ATOM 1007 O LEU A 66 -4.602 9.561 -7.207 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.301 6.829 -8.627 1.00 0.00 C ATOM 1009 CG LEU A 66 -3.652 6.271 -7.240 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -3.454 4.767 -7.226 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.789 6.904 -6.156 1.00 0.00 C ATOM 0 H LEU A 66 -2.741 8.001 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.053 8.003 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.559 6.076 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.221 6.968 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.695 6.511 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.704 4.376 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.101 4.308 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.414 4.535 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.061 6.489 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.739 6.695 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.949 7.982 -6.147 1.00 0.00 H new ATOM 1023 N ASP A 67 -2.499 9.773 -7.946 1.00 0.00 N ATOM 1024 CA ASP A 67 -2.145 10.741 -6.911 1.00 0.00 C ATOM 1025 C ASP A 67 -2.934 12.021 -7.100 1.00 0.00 C ATOM 1026 O ASP A 67 -3.476 12.569 -6.143 1.00 0.00 O ATOM 1027 CB ASP A 67 -0.634 11.020 -6.872 1.00 0.00 C ATOM 1028 CG ASP A 67 -0.104 11.886 -8.002 1.00 0.00 C ATOM 1029 OD1 ASP A 67 -0.271 13.120 -7.946 1.00 0.00 O ATOM 1030 OD2 ASP A 67 0.540 11.337 -8.911 1.00 0.00 O ATOM 0 H ASP A 67 -1.754 9.564 -8.611 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.408 10.307 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.395 11.502 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.105 10.067 -6.888 1.00 0.00 H new ATOM 1035 N ALA A 68 -3.036 12.461 -8.339 1.00 0.00 N ATOM 1036 CA ALA A 68 -3.814 13.637 -8.670 1.00 0.00 C ATOM 1037 C ALA A 68 -5.265 13.466 -8.234 1.00 0.00 C ATOM 1038 O ALA A 68 -5.938 14.422 -7.851 1.00 0.00 O ATOM 1039 CB ALA A 68 -3.734 13.869 -10.162 1.00 0.00 C ATOM 0 H ALA A 68 -2.585 12.017 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.409 14.500 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.316 14.752 -10.425 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.694 14.020 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.134 13.002 -10.687 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.727 12.230 -8.291 1.00 0.00 N ATOM 1046 CA LEU A 69 -7.103 11.896 -7.969 1.00 0.00 C ATOM 1047 C LEU A 69 -7.296 11.665 -6.465 1.00 0.00 C ATOM 1048 O LEU A 69 -8.270 12.125 -5.874 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.492 10.635 -8.742 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.971 10.272 -8.720 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -9.789 11.362 -9.386 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -9.186 8.941 -9.421 1.00 0.00 C ATOM 0 H LEU A 69 -5.158 11.428 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.740 12.733 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.183 10.759 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.925 9.796 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.300 10.180 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.844 11.090 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.645 12.302 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.466 11.478 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.246 8.687 -9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.849 9.016 -10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.617 8.164 -8.910 1.00 0.00 H new ATOM 1064 N ARG A 70 -6.355 10.950 -5.859 1.00 0.00 N ATOM 1065 CA ARG A 70 -6.503 10.453 -4.493 1.00 0.00 C ATOM 1066 C ARG A 70 -6.055 11.470 -3.435 1.00 0.00 C ATOM 1067 O ARG A 70 -6.023 11.133 -2.262 1.00 0.00 O ATOM 1068 CB ARG A 70 -5.729 9.135 -4.338 1.00 0.00 C ATOM 1069 CG ARG A 70 -5.967 8.443 -3.007 1.00 0.00 C ATOM 1070 CD ARG A 70 -5.313 7.074 -2.949 1.00 0.00 C ATOM 1071 NE ARG A 70 -5.418 6.484 -1.614 1.00 0.00 N ATOM 1072 CZ ARG A 70 -5.889 5.263 -1.368 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -6.291 4.483 -2.365 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -5.958 4.818 -0.121 1.00 0.00 N ATOM 0 H ARG A 70 -5.469 10.698 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.566 10.281 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.013 8.460 -5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.663 9.334 -4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.577 9.065 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.039 8.339 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.784 6.414 -3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.263 7.159 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.110 7.045 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.240 4.818 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.651 3.549 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.650 5.411 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.319 3.883 0.068 1.00 0.00 H new ATOM 1088 N THR A 71 -5.737 12.697 -3.873 1.00 0.00 N ATOM 1089 CA THR A 71 -5.249 13.805 -3.011 1.00 0.00 C ATOM 1090 C THR A 71 -3.731 13.940 -3.045 1.00 0.00 C ATOM 1091 O THR A 71 -3.196 14.997 -2.700 1.00 0.00 O ATOM 1092 CB THR A 71 -5.704 13.708 -1.537 1.00 0.00 C ATOM 1093 OG1 THR A 71 -5.867 15.026 -1.000 1.00 0.00 O ATOM 1094 CG2 THR A 71 -4.680 12.964 -0.692 1.00 0.00 C ATOM 0 H THR A 71 -5.810 12.961 -4.855 1.00 0.00 H new ATOM 0 HA THR A 71 -5.709 14.693 -3.444 1.00 0.00 H new ATOM 0 HB THR A 71 -6.647 13.162 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.192 15.183 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.028 12.912 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.550 11.955 -1.082 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.727 13.492 -0.727 1.00 0.00 H new ATOM 1140 N GLU A 75 -4.700 15.566 1.510 1.00 0.00 N ATOM 1141 CA GLU A 75 -5.554 14.925 2.498 1.00 0.00 C ATOM 1142 C GLU A 75 -4.835 13.741 3.145 1.00 0.00 C ATOM 1143 O GLU A 75 -5.013 13.473 4.330 1.00 0.00 O ATOM 1144 CB GLU A 75 -6.860 14.474 1.834 1.00 0.00 C ATOM 1145 CG GLU A 75 -7.955 14.069 2.805 1.00 0.00 C ATOM 1146 CD GLU A 75 -9.287 13.857 2.110 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -9.901 14.859 1.683 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -9.730 12.693 1.988 1.00 0.00 O ATOM 0 HA GLU A 75 -5.788 15.642 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.231 15.283 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.646 13.632 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.664 13.152 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.064 14.839 3.569 1.00 0.00 H new ATOM 1155 N TYR A 76 -4.009 13.040 2.368 1.00 0.00 N ATOM 1156 CA TYR A 76 -3.266 11.892 2.897 1.00 0.00 C ATOM 1157 C TYR A 76 -1.767 12.095 2.708 1.00 0.00 C ATOM 1158 O TYR A 76 -1.345 12.948 1.928 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.697 10.584 2.217 1.00 0.00 C ATOM 1160 CG TYR A 76 -5.197 10.403 2.119 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -6.021 10.595 3.221 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -5.790 10.072 0.908 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -7.391 10.455 3.120 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -7.161 9.940 0.797 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.954 10.130 1.906 1.00 0.00 C ATOM 1166 OH TYR A 76 -9.320 10.021 1.797 1.00 0.00 O ATOM 0 H TYR A 76 -3.838 13.242 1.383 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.491 11.818 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.272 10.551 1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.276 9.744 2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.583 10.858 4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.169 9.915 0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.017 10.600 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.608 9.689 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.718 10.916 1.761 1.00 0.00 H new ATOM 1176 N ALA A 77 -0.964 11.322 3.432 1.00 0.00 N ATOM 1177 CA ALA A 77 0.494 11.409 3.303 1.00 0.00 C ATOM 1178 C ALA A 77 1.060 10.254 2.477 1.00 0.00 C ATOM 1179 O ALA A 77 0.596 9.117 2.586 1.00 0.00 O ATOM 1180 CB ALA A 77 1.147 11.440 4.676 1.00 0.00 C ATOM 0 H ALA A 77 -1.290 10.633 4.110 1.00 0.00 H new ATOM 0 HA ALA A 77 0.721 12.336 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.229 11.505 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.788 12.307 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.893 10.531 5.220 1.00 0.00 H new ATOM 1186 N ARG A 78 2.066 10.546 1.652 1.00 0.00 N ATOM 1187 CA ARG A 78 2.730 9.516 0.856 1.00 0.00 C ATOM 1188 C ARG A 78 3.946 8.981 1.598 1.00 0.00 C ATOM 1189 O ARG A 78 4.829 9.743 1.985 1.00 0.00 O ATOM 1190 CB ARG A 78 3.196 10.064 -0.498 1.00 0.00 C ATOM 1191 CG ARG A 78 2.107 10.712 -1.329 1.00 0.00 C ATOM 1192 CD ARG A 78 2.645 11.184 -2.673 1.00 0.00 C ATOM 1193 NE ARG A 78 2.389 10.234 -3.754 1.00 0.00 N ATOM 1194 CZ ARG A 78 2.713 10.459 -5.028 1.00 0.00 C ATOM 1195 NH1 ARG A 78 3.401 11.543 -5.372 1.00 0.00 N ATOM 1196 NH2 ARG A 78 2.363 9.590 -5.962 1.00 0.00 N ATOM 0 H ARG A 78 2.438 11.486 1.518 1.00 0.00 H new ATOM 0 HA ARG A 78 2.004 8.720 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.986 10.795 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.636 9.249 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.296 10.001 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.686 11.558 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.191 12.143 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.719 11.352 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 78 1.937 9.350 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.687 12.213 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.643 11.704 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.846 8.749 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.610 9.761 -6.937 1.00 0.00 H new ATOM 1210 N GLN A 79 3.988 7.680 1.800 1.00 0.00 N ATOM 1211 CA GLN A 79 5.143 7.042 2.399 1.00 0.00 C ATOM 1212 C GLN A 79 5.762 6.079 1.400 1.00 0.00 C ATOM 1213 O GLN A 79 5.186 5.038 1.100 1.00 0.00 O ATOM 1214 CB GLN A 79 4.742 6.286 3.670 1.00 0.00 C ATOM 1215 CG GLN A 79 5.926 5.859 4.522 1.00 0.00 C ATOM 1216 CD GLN A 79 5.513 5.227 5.842 1.00 0.00 C ATOM 1217 OE1 GLN A 79 4.354 4.585 5.862 1.00 0.00 O flip ATOM 1218 NE2 GLN A 79 6.231 5.321 6.840 1.00 0.00 N flip ATOM 0 H GLN A 79 3.231 7.041 1.557 1.00 0.00 H new ATOM 0 HA GLN A 79 5.870 7.808 2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.085 6.918 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.168 5.402 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.533 5.149 3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.554 6.727 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.117 5.824 6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.939 4.896 7.720 1.00 0.00 H new ATOM 1227 N LEU A 80 6.914 6.429 0.859 1.00 0.00 N ATOM 1228 CA LEU A 80 7.576 5.558 -0.093 1.00 0.00 C ATOM 1229 C LEU A 80 8.349 4.479 0.649 1.00 0.00 C ATOM 1230 O LEU A 80 9.348 4.764 1.309 1.00 0.00 O ATOM 1231 CB LEU A 80 8.517 6.347 -1.001 1.00 0.00 C ATOM 1232 CG LEU A 80 9.210 5.510 -2.074 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.196 4.965 -3.066 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.268 6.327 -2.790 1.00 0.00 C ATOM 0 H LEU A 80 7.406 7.300 1.059 1.00 0.00 H new ATOM 0 HA LEU A 80 6.815 5.093 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.951 7.142 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.277 6.828 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 80 9.700 4.668 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.710 4.372 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.474 4.339 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.676 5.793 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.750 5.712 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.802 7.191 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.014 6.666 -2.071 1.00 0.00 H new ATOM 1246 N ILE A 81 7.871 3.252 0.555 1.00 0.00 N ATOM 1247 CA ILE A 81 8.483 2.142 1.262 1.00 0.00 C ATOM 1248 C ILE A 81 9.257 1.246 0.306 1.00 0.00 C ATOM 1249 O ILE A 81 8.861 1.052 -0.840 1.00 0.00 O ATOM 1250 CB ILE A 81 7.434 1.308 2.025 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.350 0.781 1.076 1.00 0.00 C ATOM 1252 CG2 ILE A 81 6.815 2.157 3.122 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.439 -0.253 1.705 1.00 0.00 C ATOM 0 H ILE A 81 7.058 2.998 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 81 9.176 2.568 1.987 1.00 0.00 H new ATOM 0 HB ILE A 81 7.929 0.445 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.747 1.619 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.828 0.345 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.073 1.569 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.593 2.483 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.334 3.029 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.699 -0.578 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.030 -1.110 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.932 0.184 2.565 1.00 0.00 H new ATOM 1265 N GLN A 82 10.362 0.708 0.787 1.00 0.00 N ATOM 1266 CA GLN A 82 11.242 -0.109 -0.030 1.00 0.00 C ATOM 1267 C GLN A 82 10.837 -1.578 0.078 1.00 0.00 C ATOM 1268 O GLN A 82 11.090 -2.219 1.098 1.00 0.00 O ATOM 1269 CB GLN A 82 12.685 0.078 0.454 1.00 0.00 C ATOM 1270 CG GLN A 82 13.725 0.164 -0.651 1.00 0.00 C ATOM 1271 CD GLN A 82 13.688 -1.013 -1.599 1.00 0.00 C ATOM 1272 OE1 GLN A 82 14.318 -2.041 -1.359 1.00 0.00 O ATOM 1273 NE2 GLN A 82 12.978 -0.853 -2.699 1.00 0.00 N ATOM 0 H GLN A 82 10.675 0.824 1.751 1.00 0.00 H new ATOM 0 HA GLN A 82 11.165 0.196 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.737 0.987 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.943 -0.752 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.569 1.083 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.717 0.230 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.471 0.018 -2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.936 -1.600 -3.392 1.00 0.00 H new ATOM 1282 N THR A 83 10.185 -2.114 -0.949 1.00 0.00 N ATOM 1283 CA THR A 83 9.789 -3.516 -0.912 1.00 0.00 C ATOM 1284 C THR A 83 10.799 -4.358 -1.687 1.00 0.00 C ATOM 1285 O THR A 83 11.577 -3.819 -2.477 1.00 0.00 O ATOM 1286 CB THR A 83 8.370 -3.746 -1.493 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.422 -3.893 -2.916 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.446 -2.588 -1.140 1.00 0.00 C ATOM 0 H THR A 83 9.925 -1.612 -1.798 1.00 0.00 H new ATOM 0 HA THR A 83 9.768 -3.818 0.135 1.00 0.00 H new ATOM 0 HB THR A 83 7.978 -4.663 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.393 -3.009 -3.337 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.456 -2.772 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.371 -2.500 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.848 -1.663 -1.553 1.00 0.00 H new ATOM 1296 N PRO A 84 10.810 -5.687 -1.476 1.00 0.00 N ATOM 1297 CA PRO A 84 11.720 -6.597 -2.189 1.00 0.00 C ATOM 1298 C PRO A 84 11.538 -6.541 -3.705 1.00 0.00 C ATOM 1299 O PRO A 84 12.441 -6.899 -4.462 1.00 0.00 O ATOM 1300 CB PRO A 84 11.336 -7.983 -1.659 1.00 0.00 C ATOM 1301 CG PRO A 84 10.660 -7.726 -0.355 1.00 0.00 C ATOM 1302 CD PRO A 84 9.959 -6.409 -0.512 1.00 0.00 C ATOM 0 HA PRO A 84 12.764 -6.334 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.672 -8.500 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.216 -8.613 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.952 -8.520 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.383 -7.690 0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.944 -6.536 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.884 -5.877 0.436 1.00 0.00 H new ATOM 1310 N TYR A 85 10.375 -6.077 -4.141 1.00 0.00 N ATOM 1311 CA TYR A 85 10.071 -5.984 -5.562 1.00 0.00 C ATOM 1312 C TYR A 85 10.344 -4.572 -6.077 1.00 0.00 C ATOM 1313 O TYR A 85 10.218 -4.295 -7.271 1.00 0.00 O ATOM 1314 CB TYR A 85 8.608 -6.349 -5.815 1.00 0.00 C ATOM 1315 CG TYR A 85 8.187 -7.672 -5.208 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.606 -8.879 -5.757 1.00 0.00 C ATOM 1317 CD2 TYR A 85 7.363 -7.712 -4.090 1.00 0.00 C ATOM 1318 CE1 TYR A 85 8.215 -10.086 -5.206 1.00 0.00 C ATOM 1319 CE2 TYR A 85 6.969 -8.915 -3.535 1.00 0.00 C ATOM 1320 CZ TYR A 85 7.397 -10.099 -4.096 1.00 0.00 C ATOM 1321 OH TYR A 85 7.004 -11.299 -3.544 1.00 0.00 O ATOM 0 H TYR A 85 9.624 -5.758 -3.529 1.00 0.00 H new ATOM 0 HA TYR A 85 10.713 -6.685 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.973 -5.559 -5.414 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.434 -6.383 -6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.246 -8.874 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.024 -6.787 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.549 -11.015 -5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.329 -8.927 -2.665 1.00 0.00 H new ATOM 0 HH TYR A 85 6.431 -11.130 -2.767 1.00 0.00 H new ATOM 1331 N GLY A 86 10.716 -3.684 -5.165 1.00 0.00 N ATOM 1332 CA GLY A 86 10.961 -2.302 -5.520 1.00 0.00 C ATOM 1333 C GLY A 86 10.229 -1.351 -4.600 1.00 0.00 C ATOM 1334 O GLY A 86 9.253 -1.730 -3.958 1.00 0.00 O ATOM 0 H GLY A 86 10.853 -3.900 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.031 -2.099 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.645 -2.129 -6.549 1.00 0.00 H new ATOM 1338 N SER A 87 10.701 -0.121 -4.515 1.00 0.00 N ATOM 1339 CA SER A 87 10.072 0.871 -3.667 1.00 0.00 C ATOM 1340 C SER A 87 8.667 1.196 -4.171 1.00 0.00 C ATOM 1341 O SER A 87 8.476 1.522 -5.344 1.00 0.00 O ATOM 1342 CB SER A 87 10.929 2.126 -3.631 1.00 0.00 C ATOM 1343 OG SER A 87 12.266 1.818 -3.269 1.00 0.00 O ATOM 0 H SER A 87 11.519 0.214 -5.024 1.00 0.00 H new ATOM 0 HA SER A 87 9.983 0.470 -2.657 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.915 2.609 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.510 2.837 -2.919 1.00 0.00 H new ATOM 0 HG SER A 87 12.799 2.641 -3.254 1.00 0.00 H new ATOM 1349 N ALA A 88 7.695 1.103 -3.277 1.00 0.00 N ATOM 1350 CA ALA A 88 6.302 1.311 -3.633 1.00 0.00 C ATOM 1351 C ALA A 88 5.680 2.401 -2.772 1.00 0.00 C ATOM 1352 O ALA A 88 6.087 2.611 -1.627 1.00 0.00 O ATOM 1353 CB ALA A 88 5.527 0.009 -3.494 1.00 0.00 C ATOM 0 H ALA A 88 7.848 0.883 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 88 6.255 1.637 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.484 0.176 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.957 -0.743 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.584 -0.340 -2.463 1.00 0.00 H new ATOM 1359 N TRP A 89 4.701 3.097 -3.331 1.00 0.00 N ATOM 1360 CA TRP A 89 4.031 4.177 -2.623 1.00 0.00 C ATOM 1361 C TRP A 89 2.998 3.635 -1.640 1.00 0.00 C ATOM 1362 O TRP A 89 2.085 2.899 -2.019 1.00 0.00 O ATOM 1363 CB TRP A 89 3.362 5.130 -3.614 1.00 0.00 C ATOM 1364 CG TRP A 89 4.333 5.883 -4.452 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.741 5.567 -5.709 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.023 7.083 -4.089 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.640 6.498 -6.157 1.00 0.00 N ATOM 1368 CE2 TRP A 89 5.837 7.438 -5.178 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.034 7.890 -2.947 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 6.653 8.567 -5.161 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 5.844 9.007 -2.930 1.00 0.00 C ATOM 1372 CH2 TRP A 89 6.644 9.337 -4.032 1.00 0.00 C ATOM 0 H TRP A 89 4.352 2.932 -4.275 1.00 0.00 H new ATOM 0 HA TRP A 89 4.785 4.724 -2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.697 4.560 -4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.741 5.838 -3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.406 4.708 -6.272 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.091 6.493 -7.072 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.420 7.643 -2.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.270 8.824 -6.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.862 9.637 -2.053 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.267 10.218 -3.988 1.00 0.00 H new ATOM 1383 N MET A 90 3.172 3.987 -0.377 1.00 0.00 N ATOM 1384 CA MET A 90 2.217 3.657 0.672 1.00 0.00 C ATOM 1385 C MET A 90 1.495 4.924 1.115 1.00 0.00 C ATOM 1386 O MET A 90 2.122 5.845 1.626 1.00 0.00 O ATOM 1387 CB MET A 90 2.956 3.050 1.866 1.00 0.00 C ATOM 1388 CG MET A 90 2.048 2.477 2.938 1.00 0.00 C ATOM 1389 SD MET A 90 2.978 1.883 4.363 1.00 0.00 S ATOM 1390 CE MET A 90 1.660 1.194 5.352 1.00 0.00 C ATOM 0 H MET A 90 3.982 4.512 -0.047 1.00 0.00 H new ATOM 0 HA MET A 90 1.493 2.937 0.290 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.617 2.261 1.506 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.589 3.816 2.314 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.340 3.241 3.260 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.464 1.658 2.519 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.850 1.400 6.405 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.712 1.644 5.059 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.613 0.116 5.196 1.00 0.00 H new ATOM 1400 N TYR A 91 0.192 4.990 0.914 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.555 6.185 1.282 1.00 0.00 C ATOM 1402 C TYR A 91 -1.157 6.035 2.671 1.00 0.00 C ATOM 1403 O TYR A 91 -2.110 5.279 2.878 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.644 6.498 0.250 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.098 6.846 -1.115 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -0.850 5.862 -2.065 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -0.815 8.163 -1.449 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.337 6.182 -3.307 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -0.305 8.491 -2.688 1.00 0.00 C ATOM 1410 CZ TYR A 91 -0.067 7.498 -3.613 1.00 0.00 C ATOM 1411 OH TYR A 91 0.450 7.823 -4.847 1.00 0.00 O ATOM 0 H TYR A 91 -0.368 4.243 0.504 1.00 0.00 H new ATOM 0 HA TYR A 91 0.141 7.024 1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.306 5.637 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.250 7.328 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.062 4.830 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.997 8.945 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.149 5.406 -4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.093 9.522 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.077 8.548 -5.242 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.593 6.760 3.620 1.00 0.00 N ATOM 1422 CA VAL A 92 -1.047 6.702 4.991 1.00 0.00 C ATOM 1423 C VAL A 92 -2.334 7.497 5.142 1.00 0.00 C ATOM 1424 O VAL A 92 -2.376 8.702 4.853 1.00 0.00 O ATOM 1425 CB VAL A 92 0.039 7.221 5.966 1.00 0.00 C ATOM 1426 CG1 VAL A 92 -0.558 7.672 7.288 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.068 6.133 6.216 1.00 0.00 C ATOM 0 H VAL A 92 0.186 7.399 3.461 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.243 5.660 5.246 1.00 0.00 H new ATOM 0 HB VAL A 92 0.515 8.085 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.237 8.029 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.270 8.478 7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.069 6.834 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.830 6.503 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.578 5.262 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.536 5.851 5.273 1.00 0.00 H new ATOM 1437 N TYR A 93 -3.387 6.805 5.555 1.00 0.00 N ATOM 1438 CA TYR A 93 -4.673 7.436 5.774 1.00 0.00 C ATOM 1439 C TYR A 93 -4.561 8.419 6.917 1.00 0.00 C ATOM 1440 O TYR A 93 -4.213 8.053 8.039 1.00 0.00 O ATOM 1441 CB TYR A 93 -5.758 6.395 6.063 1.00 0.00 C ATOM 1442 CG TYR A 93 -7.144 6.990 6.190 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -7.754 7.606 5.106 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -7.839 6.944 7.393 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -9.014 8.159 5.216 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -9.102 7.498 7.510 1.00 0.00 C ATOM 1447 CZ TYR A 93 -9.684 8.104 6.417 1.00 0.00 C ATOM 1448 OH TYR A 93 -10.940 8.659 6.524 1.00 0.00 O ATOM 0 H TYR A 93 -3.371 5.803 5.745 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.962 7.967 4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.761 5.653 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.510 5.870 6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.234 7.653 4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.386 6.468 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.473 8.634 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.628 7.456 8.452 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.276 8.535 7.436 1.00 0.00 H new ATOM 1458 N GLN A 94 -4.830 9.668 6.613 1.00 0.00 N ATOM 1459 CA GLN A 94 -4.719 10.722 7.578 1.00 0.00 C ATOM 1460 C GLN A 94 -6.087 10.974 8.188 1.00 0.00 C ATOM 1461 O GLN A 94 -7.022 10.207 7.943 1.00 0.00 O ATOM 1462 CB GLN A 94 -4.198 11.979 6.884 1.00 0.00 C ATOM 1463 CG GLN A 94 -2.998 12.613 7.563 1.00 0.00 C ATOM 1464 CD GLN A 94 -1.667 12.057 7.086 1.00 0.00 C ATOM 1465 OE1 GLN A 94 -0.661 12.763 7.094 1.00 0.00 O ATOM 1466 NE2 GLN A 94 -1.640 10.804 6.659 1.00 0.00 N ATOM 0 H GLN A 94 -5.131 9.975 5.688 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.024 10.445 8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.930 11.729 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.003 12.713 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.017 13.689 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.080 12.465 8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.493 10.245 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.766 10.398 6.324 1.00 0.00 H new ATOM 1475 N ARG A 95 -6.198 12.047 8.967 1.00 0.00 N ATOM 1476 CA ARG A 95 -7.470 12.472 9.554 1.00 0.00 C ATOM 1477 C ARG A 95 -7.890 11.526 10.685 1.00 0.00 C ATOM 1478 O ARG A 95 -7.287 10.468 10.873 1.00 0.00 O ATOM 1479 CB ARG A 95 -8.568 12.545 8.477 1.00 0.00 C ATOM 1480 CG ARG A 95 -8.116 13.185 7.169 1.00 0.00 C ATOM 1481 CD ARG A 95 -9.291 13.462 6.249 1.00 0.00 C ATOM 1482 NE ARG A 95 -9.997 12.235 5.879 1.00 0.00 N ATOM 1483 CZ ARG A 95 -11.056 12.204 5.073 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -11.544 13.332 4.576 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -11.635 11.045 4.778 1.00 0.00 N ATOM 0 H ARG A 95 -5.410 12.647 9.210 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.333 13.468 9.974 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.927 11.537 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.413 13.109 8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.591 14.117 7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.407 12.527 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.984 14.145 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.936 13.962 5.348 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.658 11.352 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.108 14.224 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.355 13.308 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.268 10.177 5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.446 11.023 4.160 1.00 0.00 H new ATOM 1499 N PRO A 96 -8.901 11.916 11.486 1.00 0.00 N ATOM 1500 CA PRO A 96 -9.441 11.065 12.557 1.00 0.00 C ATOM 1501 C PRO A 96 -9.871 9.685 12.059 1.00 0.00 C ATOM 1502 O PRO A 96 -10.748 9.560 11.202 1.00 0.00 O ATOM 1503 CB PRO A 96 -10.653 11.854 13.056 1.00 0.00 C ATOM 1504 CG PRO A 96 -10.332 13.271 12.740 1.00 0.00 C ATOM 1505 CD PRO A 96 -9.572 13.231 11.446 1.00 0.00 C ATOM 0 HA PRO A 96 -8.695 10.863 13.326 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.568 11.534 12.557 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.806 11.711 14.126 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -11.240 13.867 12.644 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.735 13.724 13.532 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.237 13.317 10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.853 14.047 11.376 1.00 0.00 H new ATOM 1513 N VAL A 97 -9.240 8.651 12.601 1.00 0.00 N ATOM 1514 CA VAL A 97 -9.566 7.277 12.237 1.00 0.00 C ATOM 1515 C VAL A 97 -10.370 6.601 13.342 1.00 0.00 C ATOM 1516 O VAL A 97 -10.704 5.422 13.245 1.00 0.00 O ATOM 1517 CB VAL A 97 -8.299 6.440 11.967 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -7.518 7.012 10.795 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -7.427 6.374 13.213 1.00 0.00 C ATOM 0 H VAL A 97 -8.498 8.738 13.296 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.158 7.327 11.323 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.606 5.426 11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.628 6.407 10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.143 7.003 9.902 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.222 8.037 11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.538 5.779 13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.130 7.382 13.503 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.988 5.913 14.026 1.00 0.00 H new ATOM 1529 N ASP A 98 -10.668 7.352 14.394 1.00 0.00 N ATOM 1530 CA ASP A 98 -11.437 6.851 15.535 1.00 0.00 C ATOM 1531 C ASP A 98 -12.878 6.479 15.167 1.00 0.00 C ATOM 1532 O ASP A 98 -13.723 6.302 16.044 1.00 0.00 O ATOM 1533 CB ASP A 98 -11.434 7.888 16.658 1.00 0.00 C ATOM 1534 CG ASP A 98 -12.122 9.180 16.266 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -11.622 9.874 15.357 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -13.161 9.516 16.872 1.00 0.00 O ATOM 0 H ASP A 98 -10.385 8.328 14.484 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.951 5.935 15.870 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.929 7.469 17.534 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.405 8.103 16.946 1.00 0.00 H new ATOM 1541 N GLY A 99 -13.144 6.333 13.881 1.00 0.00 N ATOM 1542 CA GLY A 99 -14.490 6.065 13.422 1.00 0.00 C ATOM 1543 C GLY A 99 -14.562 4.867 12.496 1.00 0.00 C ATOM 1544 O GLY A 99 -15.559 4.672 11.799 1.00 0.00 O ATOM 0 H GLY A 99 -12.446 6.396 13.140 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.136 5.894 14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.875 6.943 12.904 1.00 0.00 H new ATOM 1548 N LEU A 100 -13.507 4.063 12.478 1.00 0.00 N ATOM 1549 CA LEU A 100 -13.495 2.852 11.668 1.00 0.00 C ATOM 1550 C LEU A 100 -12.732 1.736 12.370 1.00 0.00 C ATOM 1551 O LEU A 100 -12.175 1.942 13.449 1.00 0.00 O ATOM 1552 CB LEU A 100 -12.951 3.097 10.234 1.00 0.00 C ATOM 1553 CG LEU A 100 -11.671 3.937 10.036 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -11.897 5.402 10.362 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -10.507 3.377 10.828 1.00 0.00 C ATOM 0 H LEU A 100 -12.653 4.226 13.012 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.532 2.537 11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.774 2.121 9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.746 3.574 9.661 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.415 3.874 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.971 5.956 10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.672 5.804 9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.210 5.499 11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.624 3.995 10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.756 3.376 11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.302 2.357 10.502 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.721 0.557 11.757 1.00 0.00 N ATOM 1568 CA LYS A 101 -12.088 -0.612 12.354 1.00 0.00 C ATOM 1569 C LYS A 101 -10.574 -0.551 12.220 1.00 0.00 C ATOM 1570 O LYS A 101 -10.047 -0.072 11.215 1.00 0.00 O ATOM 1571 CB LYS A 101 -12.606 -1.900 11.707 1.00 0.00 C ATOM 1572 CG LYS A 101 -14.044 -2.241 12.069 1.00 0.00 C ATOM 1573 CD LYS A 101 -14.502 -3.525 11.389 1.00 0.00 C ATOM 1574 CE LYS A 101 -13.602 -4.705 11.739 1.00 0.00 C ATOM 1575 NZ LYS A 101 -14.037 -5.962 11.071 1.00 0.00 N ATOM 0 H LYS A 101 -13.145 0.386 10.845 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.344 -0.614 13.413 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.527 -1.807 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.962 -2.728 12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -14.132 -2.349 13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.698 -1.420 11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.526 -3.748 11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.509 -3.381 10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.577 -4.477 11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.601 -4.851 12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.396 -6.737 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.006 -6.196 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.013 -5.833 10.039 1.00 0.00 H new ATOM 1589 N LEU A 102 -9.887 -1.036 13.238 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.438 -1.137 13.217 1.00 0.00 C ATOM 1591 C LEU A 102 -8.023 -2.600 13.139 1.00 0.00 C ATOM 1592 O LEU A 102 -8.192 -3.360 14.095 1.00 0.00 O ATOM 1593 CB LEU A 102 -7.831 -0.480 14.462 1.00 0.00 C ATOM 1594 CG LEU A 102 -6.311 -0.623 14.603 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.597 -0.004 13.413 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -5.840 0.019 15.896 1.00 0.00 C ATOM 0 H LEU A 102 -10.316 -1.370 14.101 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.065 -0.612 12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.080 0.581 14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.303 -0.909 15.346 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.068 -1.685 14.630 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.520 -0.118 13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.913 -0.505 12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.845 1.056 13.351 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.759 -0.090 15.984 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.099 1.078 15.892 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.323 -0.470 16.742 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.492 -2.985 11.992 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.058 -4.338 11.753 1.00 0.00 C ATOM 1610 C ILE A 103 -5.555 -4.408 11.934 1.00 0.00 C ATOM 1611 O ILE A 103 -4.786 -4.136 11.008 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.428 -4.802 10.328 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -8.930 -4.644 10.081 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.004 -6.244 10.107 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -9.354 -4.989 8.668 1.00 0.00 C ATOM 0 H ILE A 103 -7.352 -2.359 11.199 1.00 0.00 H new ATOM 0 HA ILE A 103 -7.559 -4.997 12.462 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.894 -4.172 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.473 -5.280 10.780 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.219 -3.615 10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.274 -6.552 9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.925 -6.330 10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.508 -6.886 10.829 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.431 -4.853 8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.839 -4.336 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.098 -6.027 8.454 1.00 0.00 H new ATOM 1627 N GLU A 104 -5.142 -4.725 13.146 1.00 0.00 N ATOM 1628 CA GLU A 104 -3.729 -4.827 13.469 1.00 0.00 C ATOM 1629 C GLU A 104 -3.123 -5.988 12.703 1.00 0.00 C ATOM 1630 O GLU A 104 -1.937 -6.006 12.408 1.00 0.00 O ATOM 1631 CB GLU A 104 -3.517 -5.038 14.976 1.00 0.00 C ATOM 1632 CG GLU A 104 -4.707 -4.643 15.843 1.00 0.00 C ATOM 1633 CD GLU A 104 -5.737 -5.750 15.961 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -6.581 -5.882 15.053 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -5.698 -6.495 16.959 1.00 0.00 O ATOM 0 H GLU A 104 -5.768 -4.918 13.928 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.242 -3.894 13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.287 -6.088 15.154 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.647 -4.463 15.292 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.353 -4.374 16.838 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.180 -3.756 15.422 1.00 0.00 H new ATOM 1642 N SER A 105 -3.968 -6.950 12.376 1.00 0.00 N ATOM 1643 CA SER A 105 -3.526 -8.170 11.716 1.00 0.00 C ATOM 1644 C SER A 105 -3.172 -7.924 10.248 1.00 0.00 C ATOM 1645 O SER A 105 -2.531 -8.757 9.609 1.00 0.00 O ATOM 1646 CB SER A 105 -4.594 -9.250 11.856 1.00 0.00 C ATOM 1647 OG SER A 105 -5.886 -8.706 11.664 1.00 0.00 O ATOM 0 H SER A 105 -4.971 -6.911 12.557 1.00 0.00 H new ATOM 0 HA SER A 105 -2.614 -8.513 12.205 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.416 -10.041 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.529 -9.706 12.844 1.00 0.00 H new ATOM 0 HG SER A 105 -6.204 -8.928 10.764 1.00 0.00 H new ATOM 1653 N GLY A 106 -3.599 -6.778 9.726 1.00 0.00 N ATOM 1654 CA GLY A 106 -3.280 -6.407 8.359 1.00 0.00 C ATOM 1655 C GLY A 106 -3.976 -7.274 7.327 1.00 0.00 C ATOM 1656 O GLY A 106 -3.421 -7.551 6.262 1.00 0.00 O ATOM 0 H GLY A 106 -4.165 -6.095 10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.559 -5.366 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.202 -6.474 8.213 1.00 0.00 H new ATOM 1660 N ASP A 107 -5.186 -7.699 7.636 1.00 0.00 N ATOM 1661 CA ASP A 107 -5.965 -8.522 6.721 1.00 0.00 C ATOM 1662 C ASP A 107 -7.241 -7.799 6.318 1.00 0.00 C ATOM 1663 O ASP A 107 -7.500 -6.691 6.778 1.00 0.00 O ATOM 1664 CB ASP A 107 -6.317 -9.866 7.365 1.00 0.00 C ATOM 1665 CG ASP A 107 -7.126 -9.715 8.637 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -8.247 -9.175 8.580 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -6.638 -10.138 9.701 1.00 0.00 O ATOM 0 H ASP A 107 -5.655 -7.489 8.517 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.360 -8.706 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.879 -10.469 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.398 -10.409 7.587 1.00 0.00 H new ATOM 1672 N TRP A 108 -8.031 -8.425 5.455 1.00 0.00 N ATOM 1673 CA TRP A 108 -9.320 -7.864 5.065 1.00 0.00 C ATOM 1674 C TRP A 108 -10.435 -8.829 5.446 1.00 0.00 C ATOM 1675 O TRP A 108 -11.538 -8.421 5.812 1.00 0.00 O ATOM 1676 CB TRP A 108 -9.392 -7.593 3.556 1.00 0.00 C ATOM 1677 CG TRP A 108 -8.134 -7.909 2.835 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -7.887 -8.971 2.024 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -6.944 -7.147 2.887 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -6.595 -8.907 1.554 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -5.995 -7.787 2.080 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -6.599 -5.980 3.550 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -4.713 -7.282 1.919 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -5.337 -5.481 3.398 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -4.396 -6.128 2.588 1.00 0.00 C ATOM 0 H TRP A 108 -7.805 -9.316 5.014 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.438 -6.916 5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -10.204 -8.181 3.128 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -9.639 -6.544 3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -8.598 -9.748 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -6.157 -9.577 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -7.317 -5.473 4.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.991 -7.780 1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -5.060 -4.572 3.911 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -3.405 -5.711 2.489 1.00 0.00 H new ATOM 1696 N LEU A 109 -10.128 -10.118 5.351 1.00 0.00 N ATOM 1697 CA LEU A 109 -11.113 -11.166 5.580 1.00 0.00 C ATOM 1698 C LEU A 109 -11.022 -11.705 7.002 1.00 0.00 C ATOM 1699 O LEU A 109 -11.916 -12.415 7.453 1.00 0.00 O ATOM 1700 CB LEU A 109 -10.915 -12.321 4.595 1.00 0.00 C ATOM 1701 CG LEU A 109 -11.481 -12.119 3.184 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -10.765 -10.998 2.452 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -11.381 -13.410 2.395 1.00 0.00 C ATOM 0 H LEU A 109 -9.197 -10.463 5.115 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.098 -10.724 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.846 -12.517 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.370 -13.215 5.021 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.529 -11.836 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.192 -10.883 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.883 -10.067 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.705 -11.238 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.785 -13.257 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.336 -13.712 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.950 -14.190 2.901 1.00 0.00 H new