USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 812 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 9 GLN : amide:sc= -0.0101 X(o=0.64,f=0.88) USER MOD Set 2.2: A 11 HIS : no HD1:sc= -0.598 X(o=0.64,f=0.9) USER MOD Set 2.3: A 18 THR OG1 : rot -78:sc= 1.25 USER MOD Single : A 2 MET CE :methyl -157:sc= 0 (180deg=-0.0201) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 0.185 (180deg=0.145) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc= 0.76 USER MOD Single : A 36 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-9.3!) USER MOD Single : A 37 SER OG : rot 68:sc= 0.538 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.783 K(o=0.78,f=-4!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 0.981 (180deg=0.519) USER MOD Single : A 56 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0906 USER MOD Single : A 78 HIS : no HD1:sc= -0.0511 K(o=-0.051,f=-0.86) USER MOD Single : A 80 SER OG : rot -141:sc= 1.11 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 87 TYR OH : rot -146:sc= 0.0408 USER MOD Single : A 89 TYR OH : rot -53:sc= 0.339 USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.0553 (180deg=-0.349) USER MOD Single : A 97 GLN : amide:sc= 0.358 K(o=0.36,f=-0.51) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0974 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 18.144 -2.351 10.678 1.00 2.10 N ATOM 9 CA MET A 2 17.614 -1.813 9.419 1.00 10.32 C ATOM 10 C MET A 2 16.845 -2.850 8.588 1.00 24.52 C ATOM 11 O MET A 2 17.014 -4.060 8.759 1.00 12.14 O ATOM 12 CB MET A 2 18.627 -0.962 8.624 1.00 23.42 C ATOM 13 CG MET A 2 19.469 -1.791 7.650 1.00 11.01 C ATOM 14 SD MET A 2 21.281 -1.786 7.812 1.00 12.01 S ATOM 15 CE MET A 2 21.694 -0.042 7.545 1.00 11.04 C ATOM 0 HA MET A 2 16.853 -1.090 9.712 1.00 10.32 H new ATOM 0 HB2 MET A 2 18.090 -0.193 8.068 1.00 23.42 H new ATOM 0 HB3 MET A 2 19.289 -0.448 9.322 1.00 23.42 H new ATOM 0 HG2 MET A 2 19.136 -2.826 7.728 1.00 11.01 H new ATOM 0 HG3 MET A 2 19.229 -1.454 6.641 1.00 11.01 H new ATOM 0 HE1 MET A 2 22.729 0.040 7.215 1.00 11.04 H new ATOM 0 HE2 MET A 2 21.036 0.375 6.783 1.00 11.04 H new ATOM 0 HE3 MET A 2 21.566 0.509 8.477 1.00 11.04 H new ATOM 25 N ARG A 3 16.016 -2.367 7.664 1.00 74.42 N ATOM 26 CA ARG A 3 15.113 -3.193 6.872 1.00 62.12 C ATOM 27 C ARG A 3 15.290 -2.856 5.389 1.00 74.52 C ATOM 28 O ARG A 3 14.326 -2.488 4.723 1.00 70.44 O ATOM 29 CB ARG A 3 13.680 -2.947 7.385 1.00 54.03 C ATOM 30 CG ARG A 3 13.318 -3.456 8.788 1.00 1.01 C ATOM 31 CD ARG A 3 13.181 -4.974 8.845 1.00 24.22 C ATOM 32 NE ARG A 3 14.434 -5.652 9.185 1.00 45.34 N ATOM 33 CZ ARG A 3 14.805 -6.039 10.406 1.00 5.43 C ATOM 34 NH1 ARG A 3 14.180 -5.596 11.493 1.00 32.40 N ATOM 35 NH2 ARG A 3 15.812 -6.888 10.522 1.00 33.20 N ATOM 0 H ARG A 3 15.954 -1.373 7.443 1.00 74.42 H new ATOM 0 HA ARG A 3 15.331 -4.256 6.976 1.00 62.12 H new ATOM 0 HB2 ARG A 3 13.497 -1.873 7.362 1.00 54.03 H new ATOM 0 HB3 ARG A 3 12.989 -3.403 6.676 1.00 54.03 H new ATOM 0 HG2 ARG A 3 14.084 -3.137 9.495 1.00 1.01 H new ATOM 0 HG3 ARG A 3 12.381 -2.998 9.106 1.00 1.01 H new ATOM 0 HD2 ARG A 3 12.421 -5.237 9.581 1.00 24.22 H new ATOM 0 HD3 ARG A 3 12.829 -5.337 7.880 1.00 24.22 H new ATOM 0 HE ARG A 3 15.080 -5.845 8.420 1.00 45.34 H new ATOM 0 HH11 ARG A 3 13.399 -4.946 11.403 1.00 32.40 H new ATOM 0 HH12 ARG A 3 14.482 -5.906 12.417 1.00 32.40 H new ATOM 0 HH21 ARG A 3 16.287 -7.233 9.688 1.00 33.20 H new ATOM 0 HH22 ARG A 3 16.114 -7.198 11.446 1.00 33.20 H new ATOM 49 N ILE A 4 16.503 -2.951 4.851 1.00 5.24 N ATOM 50 CA ILE A 4 16.767 -2.593 3.456 1.00 24.32 C ATOM 51 C ILE A 4 16.572 -3.855 2.601 1.00 65.54 C ATOM 52 O ILE A 4 17.100 -4.915 2.948 1.00 45.31 O ATOM 53 CB ILE A 4 18.182 -2.000 3.304 1.00 3.21 C ATOM 54 CG1 ILE A 4 18.282 -0.669 4.082 1.00 72.44 C ATOM 55 CG2 ILE A 4 18.527 -1.733 1.824 1.00 25.44 C ATOM 56 CD1 ILE A 4 19.727 -0.231 4.310 1.00 54.41 C ATOM 0 H ILE A 4 17.325 -3.275 5.362 1.00 5.24 H new ATOM 0 HA ILE A 4 16.075 -1.821 3.119 1.00 24.32 H new ATOM 0 HB ILE A 4 18.887 -2.728 3.704 1.00 3.21 H new ATOM 0 HG12 ILE A 4 17.752 0.110 3.533 1.00 72.44 H new ATOM 0 HG13 ILE A 4 17.782 -0.776 5.045 1.00 72.44 H new ATOM 0 HG21 ILE A 4 19.531 -1.315 1.754 1.00 25.44 H new ATOM 0 HG22 ILE A 4 18.483 -2.668 1.266 1.00 25.44 H new ATOM 0 HG23 ILE A 4 17.810 -1.027 1.405 1.00 25.44 H new ATOM 0 HD11 ILE A 4 19.740 0.709 4.861 1.00 54.41 H new ATOM 0 HD12 ILE A 4 20.252 -0.995 4.884 1.00 54.41 H new ATOM 0 HD13 ILE A 4 20.222 -0.095 3.348 1.00 54.41 H new ATOM 68 N PRO A 5 15.824 -3.795 1.490 1.00 12.20 N ATOM 69 CA PRO A 5 15.611 -4.935 0.602 1.00 20.54 C ATOM 70 C PRO A 5 16.788 -5.218 -0.329 1.00 0.24 C ATOM 71 O PRO A 5 17.668 -4.379 -0.537 1.00 61.21 O ATOM 72 CB PRO A 5 14.365 -4.570 -0.214 1.00 73.12 C ATOM 73 CG PRO A 5 14.478 -3.057 -0.301 1.00 23.34 C ATOM 74 CD PRO A 5 15.010 -2.669 1.068 1.00 73.33 C ATOM 0 HA PRO A 5 15.497 -5.848 1.187 1.00 20.54 H new ATOM 0 HB2 PRO A 5 14.371 -5.037 -1.199 1.00 73.12 H new ATOM 0 HB3 PRO A 5 13.446 -4.883 0.282 1.00 73.12 H new ATOM 0 HG2 PRO A 5 15.155 -2.749 -1.098 1.00 23.34 H new ATOM 0 HG3 PRO A 5 13.513 -2.592 -0.505 1.00 23.34 H new ATOM 0 HD2 PRO A 5 15.599 -1.754 1.017 1.00 73.33 H new ATOM 0 HD3 PRO A 5 14.196 -2.486 1.770 1.00 73.33 H new ATOM 82 N SER A 6 16.733 -6.398 -0.951 1.00 60.23 N ATOM 83 CA SER A 6 17.560 -6.796 -2.083 1.00 73.24 C ATOM 84 C SER A 6 16.738 -7.436 -3.209 1.00 33.10 C ATOM 85 O SER A 6 17.141 -7.378 -4.372 1.00 42.24 O ATOM 86 CB SER A 6 18.643 -7.768 -1.613 1.00 33.34 C ATOM 87 OG SER A 6 19.393 -7.245 -0.523 1.00 75.55 O ATOM 0 H SER A 6 16.083 -7.130 -0.665 1.00 60.23 H new ATOM 0 HA SER A 6 18.017 -5.893 -2.488 1.00 73.24 H new ATOM 0 HB2 SER A 6 18.181 -8.710 -1.316 1.00 33.34 H new ATOM 0 HB3 SER A 6 19.315 -7.990 -2.442 1.00 33.34 H new ATOM 0 HG SER A 6 20.073 -7.896 -0.252 1.00 75.55 H new ATOM 93 N ALA A 7 15.571 -8.018 -2.900 1.00 64.42 N ATOM 94 CA ALA A 7 14.648 -8.486 -3.928 1.00 21.34 C ATOM 95 C ALA A 7 13.636 -7.382 -4.183 1.00 15.02 C ATOM 96 O ALA A 7 12.558 -7.390 -3.594 1.00 15.43 O ATOM 97 CB ALA A 7 13.995 -9.817 -3.534 1.00 33.11 C ATOM 0 H ALA A 7 15.249 -8.173 -1.945 1.00 64.42 H new ATOM 0 HA ALA A 7 15.183 -8.696 -4.854 1.00 21.34 H new ATOM 0 HB1 ALA A 7 13.314 -10.136 -4.323 1.00 33.11 H new ATOM 0 HB2 ALA A 7 14.767 -10.574 -3.394 1.00 33.11 H new ATOM 0 HB3 ALA A 7 13.440 -9.689 -2.605 1.00 33.11 H new ATOM 103 N ILE A 8 14.005 -6.388 -4.984 1.00 41.21 N ATOM 104 CA ILE A 8 13.044 -5.465 -5.568 1.00 24.53 C ATOM 105 C ILE A 8 12.524 -6.147 -6.829 1.00 4.12 C ATOM 106 O ILE A 8 13.310 -6.451 -7.727 1.00 74.43 O ATOM 107 CB ILE A 8 13.710 -4.119 -5.935 1.00 64.32 C ATOM 108 CG1 ILE A 8 14.394 -3.382 -4.766 1.00 32.54 C ATOM 109 CG2 ILE A 8 12.692 -3.210 -6.648 1.00 41.45 C ATOM 110 CD1 ILE A 8 13.468 -3.043 -3.601 1.00 41.04 C ATOM 0 H ILE A 8 14.973 -6.202 -5.244 1.00 41.21 H new ATOM 0 HA ILE A 8 12.245 -5.240 -4.862 1.00 24.53 H new ATOM 0 HB ILE A 8 14.530 -4.369 -6.608 1.00 64.32 H new ATOM 0 HG12 ILE A 8 15.213 -3.998 -4.395 1.00 32.54 H new ATOM 0 HG13 ILE A 8 14.835 -2.459 -5.143 1.00 32.54 H new ATOM 0 HG21 ILE A 8 13.167 -2.263 -6.904 1.00 41.45 H new ATOM 0 HG22 ILE A 8 12.343 -3.699 -7.558 1.00 41.45 H new ATOM 0 HG23 ILE A 8 11.845 -3.024 -5.988 1.00 41.45 H new ATOM 0 HD11 ILE A 8 14.033 -2.527 -2.825 1.00 41.04 H new ATOM 0 HD12 ILE A 8 12.662 -2.399 -3.952 1.00 41.04 H new ATOM 0 HD13 ILE A 8 13.046 -3.961 -3.192 1.00 41.04 H new ATOM 122 N GLN A 9 11.210 -6.322 -6.923 1.00 32.53 N ATOM 123 CA GLN A 9 10.529 -6.468 -8.196 1.00 2.20 C ATOM 124 C GLN A 9 9.239 -5.664 -8.091 1.00 22.51 C ATOM 125 O GLN A 9 8.550 -5.779 -7.081 1.00 23.34 O ATOM 126 CB GLN A 9 10.282 -7.954 -8.516 1.00 20.11 C ATOM 127 CG GLN A 9 11.535 -8.609 -9.109 1.00 20.43 C ATOM 128 CD GLN A 9 11.261 -9.948 -9.779 1.00 4.10 C ATOM 129 OE1 GLN A 9 10.665 -10.001 -10.853 1.00 32.13 O ATOM 130 NE2 GLN A 9 11.732 -11.046 -9.205 1.00 73.43 N ATOM 0 H GLN A 9 10.590 -6.366 -6.114 1.00 32.53 H new ATOM 0 HA GLN A 9 11.131 -6.091 -9.023 1.00 2.20 H new ATOM 0 HB2 GLN A 9 9.988 -8.480 -7.608 1.00 20.11 H new ATOM 0 HB3 GLN A 9 9.454 -8.045 -9.219 1.00 20.11 H new ATOM 0 HG2 GLN A 9 11.979 -7.931 -9.838 1.00 20.43 H new ATOM 0 HG3 GLN A 9 12.270 -8.752 -8.317 1.00 20.43 H new ATOM 0 HE21 GLN A 9 12.224 -10.985 -8.314 1.00 73.43 H new ATOM 0 HE22 GLN A 9 11.602 -11.952 -9.655 1.00 73.43 H new ATOM 139 N LEU A 10 8.924 -4.823 -9.086 1.00 13.32 N ATOM 140 CA LEU A 10 7.636 -4.142 -9.156 1.00 41.21 C ATOM 141 C LEU A 10 6.659 -4.855 -10.086 1.00 32.11 C ATOM 142 O LEU A 10 5.486 -4.477 -10.121 1.00 33.42 O ATOM 143 CB LEU A 10 7.816 -2.657 -9.520 1.00 74.14 C ATOM 144 CG LEU A 10 7.681 -2.242 -11.001 1.00 12.21 C ATOM 145 CD1 LEU A 10 7.688 -0.716 -11.035 1.00 34.44 C ATOM 146 CD2 LEU A 10 8.805 -2.777 -11.887 1.00 11.43 C ATOM 0 H LEU A 10 9.554 -4.601 -9.857 1.00 13.32 H new ATOM 0 HA LEU A 10 7.188 -4.180 -8.163 1.00 41.21 H new ATOM 0 HB2 LEU A 10 7.087 -2.084 -8.947 1.00 74.14 H new ATOM 0 HB3 LEU A 10 8.804 -2.349 -9.178 1.00 74.14 H new ATOM 0 HG LEU A 10 6.759 -2.666 -11.399 1.00 12.21 H new ATOM 0 HD11 LEU A 10 7.594 -0.375 -12.066 1.00 34.44 H new ATOM 0 HD12 LEU A 10 6.851 -0.335 -10.449 1.00 34.44 H new ATOM 0 HD13 LEU A 10 8.623 -0.347 -10.614 1.00 34.44 H new ATOM 0 HD21 LEU A 10 8.647 -2.447 -12.914 1.00 11.43 H new ATOM 0 HD22 LEU A 10 9.762 -2.399 -11.528 1.00 11.43 H new ATOM 0 HD23 LEU A 10 8.809 -3.866 -11.852 1.00 11.43 H new ATOM 158 N HIS A 11 7.122 -5.850 -10.848 1.00 64.44 N ATOM 159 CA HIS A 11 6.325 -6.616 -11.795 1.00 35.03 C ATOM 160 C HIS A 11 5.433 -5.682 -12.620 1.00 33.22 C ATOM 161 O HIS A 11 4.209 -5.696 -12.471 1.00 75.20 O ATOM 162 CB HIS A 11 5.550 -7.718 -11.054 1.00 24.42 C ATOM 163 CG HIS A 11 6.446 -8.829 -10.589 1.00 54.42 C ATOM 164 ND1 HIS A 11 6.874 -9.873 -11.370 1.00 15.33 N ATOM 165 CD2 HIS A 11 7.002 -8.979 -9.348 1.00 41.35 C ATOM 166 CE1 HIS A 11 7.674 -10.639 -10.619 1.00 3.24 C ATOM 167 NE2 HIS A 11 7.756 -10.155 -9.372 1.00 34.43 N ATOM 0 H HIS A 11 8.096 -6.150 -10.817 1.00 64.44 H new ATOM 0 HA HIS A 11 6.974 -7.121 -12.511 1.00 35.03 H new ATOM 0 HB2 HIS A 11 5.037 -7.284 -10.196 1.00 24.42 H new ATOM 0 HB3 HIS A 11 4.782 -8.125 -11.712 1.00 24.42 H new ATOM 0 HD2 HIS A 11 6.881 -8.313 -8.507 1.00 41.35 H new ATOM 0 HE1 HIS A 11 8.183 -11.525 -10.969 1.00 3.24 H new ATOM 0 HE2 HIS A 11 8.269 -10.565 -8.592 1.00 34.43 H new ATOM 175 N LYS A 12 6.015 -4.808 -13.457 1.00 73.01 N ATOM 176 CA LYS A 12 5.230 -3.758 -14.123 1.00 52.41 C ATOM 177 C LYS A 12 4.174 -4.315 -15.078 1.00 22.45 C ATOM 178 O LYS A 12 3.246 -3.586 -15.429 1.00 15.55 O ATOM 179 CB LYS A 12 6.107 -2.702 -14.824 1.00 12.55 C ATOM 180 CG LYS A 12 5.655 -1.281 -14.435 1.00 2.54 C ATOM 181 CD LYS A 12 6.272 -0.216 -15.348 1.00 14.45 C ATOM 182 CE LYS A 12 6.056 1.207 -14.822 1.00 21.34 C ATOM 183 NZ LYS A 12 6.595 2.226 -15.749 1.00 31.43 N ATOM 0 H LYS A 12 7.009 -4.807 -13.686 1.00 73.01 H new ATOM 0 HA LYS A 12 4.700 -3.252 -13.317 1.00 52.41 H new ATOM 0 HB2 LYS A 12 7.151 -2.846 -14.547 1.00 12.55 H new ATOM 0 HB3 LYS A 12 6.043 -2.827 -15.905 1.00 12.55 H new ATOM 0 HG2 LYS A 12 4.568 -1.219 -14.487 1.00 2.54 H new ATOM 0 HG3 LYS A 12 5.937 -1.081 -13.401 1.00 2.54 H new ATOM 0 HD2 LYS A 12 7.341 -0.404 -15.449 1.00 14.45 H new ATOM 0 HD3 LYS A 12 5.838 -0.301 -16.344 1.00 14.45 H new ATOM 0 HE2 LYS A 12 4.990 1.381 -14.672 1.00 21.34 H new ATOM 0 HE3 LYS A 12 6.536 1.311 -13.849 1.00 21.34 H new ATOM 0 HZ1 LYS A 12 6.584 3.157 -15.286 1.00 31.43 H new ATOM 0 HZ2 LYS A 12 7.572 1.979 -16.006 1.00 31.43 H new ATOM 0 HZ3 LYS A 12 6.009 2.259 -16.607 1.00 31.43 H new ATOM 197 N ALA A 13 4.257 -5.592 -15.457 1.00 71.13 N ATOM 198 CA ALA A 13 3.159 -6.315 -16.082 1.00 53.31 C ATOM 199 C ALA A 13 1.919 -6.296 -15.182 1.00 21.15 C ATOM 200 O ALA A 13 0.853 -5.854 -15.594 1.00 1.25 O ATOM 201 CB ALA A 13 3.601 -7.753 -16.374 1.00 31.34 C ATOM 0 H ALA A 13 5.099 -6.155 -15.335 1.00 71.13 H new ATOM 0 HA ALA A 13 2.894 -5.828 -17.020 1.00 53.31 H new ATOM 0 HB1 ALA A 13 2.781 -8.298 -16.842 1.00 31.34 H new ATOM 0 HB2 ALA A 13 4.459 -7.741 -17.046 1.00 31.34 H new ATOM 0 HB3 ALA A 13 3.878 -8.245 -15.442 1.00 31.34 H new ATOM 207 N SER A 14 2.057 -6.758 -13.941 1.00 72.20 N ATOM 208 CA SER A 14 0.970 -7.315 -13.142 1.00 41.44 C ATOM 209 C SER A 14 0.803 -6.625 -11.785 1.00 61.22 C ATOM 210 O SER A 14 0.145 -7.191 -10.916 1.00 35.15 O ATOM 211 CB SER A 14 1.203 -8.827 -13.010 1.00 41.50 C ATOM 212 OG SER A 14 1.381 -9.388 -14.303 1.00 24.34 O ATOM 0 H SER A 14 2.952 -6.755 -13.451 1.00 72.20 H new ATOM 0 HA SER A 14 0.024 -7.132 -13.652 1.00 41.44 H new ATOM 0 HB2 SER A 14 2.081 -9.019 -12.393 1.00 41.50 H new ATOM 0 HB3 SER A 14 0.355 -9.295 -12.511 1.00 41.50 H new ATOM 0 HG SER A 14 1.532 -10.353 -14.223 1.00 24.34 H new ATOM 218 N LYS A 15 1.364 -5.419 -11.615 1.00 14.21 N ATOM 219 CA LYS A 15 1.290 -4.552 -10.437 1.00 52.43 C ATOM 220 C LYS A 15 1.524 -5.336 -9.145 1.00 43.53 C ATOM 221 O LYS A 15 0.584 -5.634 -8.403 1.00 21.32 O ATOM 222 CB LYS A 15 0.034 -3.659 -10.426 1.00 0.23 C ATOM 223 CG LYS A 15 -1.221 -4.281 -11.004 1.00 12.22 C ATOM 224 CD LYS A 15 -2.376 -3.302 -10.872 1.00 61.03 C ATOM 225 CE LYS A 15 -2.617 -2.647 -12.218 1.00 2.31 C ATOM 226 NZ LYS A 15 -3.470 -3.459 -13.105 1.00 43.40 N ATOM 0 H LYS A 15 1.923 -4.995 -12.355 1.00 14.21 H new ATOM 0 HA LYS A 15 2.115 -3.843 -10.501 1.00 52.43 H new ATOM 0 HB2 LYS A 15 -0.170 -3.364 -9.397 1.00 0.23 H new ATOM 0 HB3 LYS A 15 0.254 -2.747 -10.981 1.00 0.23 H new ATOM 0 HG2 LYS A 15 -1.064 -4.536 -12.052 1.00 12.22 H new ATOM 0 HG3 LYS A 15 -1.454 -5.209 -10.481 1.00 12.22 H new ATOM 0 HD2 LYS A 15 -3.275 -3.821 -10.539 1.00 61.03 H new ATOM 0 HD3 LYS A 15 -2.147 -2.547 -10.120 1.00 61.03 H new ATOM 0 HE2 LYS A 15 -3.083 -1.674 -12.065 1.00 2.31 H new ATOM 0 HE3 LYS A 15 -1.659 -2.468 -12.707 1.00 2.31 H new ATOM 0 HZ1 LYS A 15 -3.601 -2.963 -14.010 1.00 43.40 H new ATOM 0 HZ2 LYS A 15 -3.016 -4.379 -13.277 1.00 43.40 H new ATOM 0 HZ3 LYS A 15 -4.396 -3.609 -12.655 1.00 43.40 H new ATOM 240 N THR A 16 2.777 -5.691 -8.866 1.00 41.42 N ATOM 241 CA THR A 16 3.091 -6.437 -7.656 1.00 73.32 C ATOM 242 C THR A 16 4.440 -6.004 -7.100 1.00 41.20 C ATOM 243 O THR A 16 5.449 -6.138 -7.783 1.00 41.11 O ATOM 244 CB THR A 16 3.049 -7.943 -7.964 1.00 40.13 C ATOM 245 OG1 THR A 16 1.903 -8.282 -8.725 1.00 62.30 O ATOM 246 CG2 THR A 16 3.044 -8.783 -6.697 1.00 34.53 C ATOM 0 H THR A 16 3.581 -5.476 -9.456 1.00 41.42 H new ATOM 0 HA THR A 16 2.348 -6.226 -6.887 1.00 73.32 H new ATOM 0 HB THR A 16 3.952 -8.159 -8.535 1.00 40.13 H new ATOM 0 HG1 THR A 16 1.904 -9.245 -8.907 1.00 62.30 H new ATOM 0 HG21 THR A 16 3.014 -9.840 -6.961 1.00 34.53 H new ATOM 0 HG22 THR A 16 3.947 -8.579 -6.121 1.00 34.53 H new ATOM 0 HG23 THR A 16 2.168 -8.534 -6.099 1.00 34.53 H new ATOM 254 N LEU A 17 4.465 -5.428 -5.898 1.00 15.45 N ATOM 255 CA LEU A 17 5.718 -5.147 -5.201 1.00 74.12 C ATOM 256 C LEU A 17 6.127 -6.404 -4.448 1.00 22.44 C ATOM 257 O LEU A 17 5.533 -6.744 -3.421 1.00 60.50 O ATOM 258 CB LEU A 17 5.591 -3.935 -4.274 1.00 73.53 C ATOM 259 CG LEU A 17 6.906 -3.510 -3.578 1.00 71.30 C ATOM 260 CD1 LEU A 17 8.144 -3.437 -4.481 1.00 72.12 C ATOM 261 CD2 LEU A 17 6.746 -2.132 -2.915 1.00 71.54 C ATOM 0 H LEU A 17 3.629 -5.147 -5.386 1.00 15.45 H new ATOM 0 HA LEU A 17 6.493 -4.885 -5.921 1.00 74.12 H new ATOM 0 HB2 LEU A 17 5.213 -3.091 -4.852 1.00 73.53 H new ATOM 0 HB3 LEU A 17 4.847 -4.157 -3.509 1.00 73.53 H new ATOM 0 HG LEU A 17 7.081 -4.307 -2.855 1.00 71.30 H new ATOM 0 HD11 LEU A 17 9.007 -3.130 -3.891 1.00 72.12 H new ATOM 0 HD12 LEU A 17 8.334 -4.417 -4.918 1.00 72.12 H new ATOM 0 HD13 LEU A 17 7.972 -2.712 -5.276 1.00 72.12 H new ATOM 0 HD21 LEU A 17 7.681 -1.850 -2.431 1.00 71.54 H new ATOM 0 HD22 LEU A 17 6.492 -1.391 -3.673 1.00 71.54 H new ATOM 0 HD23 LEU A 17 5.951 -2.177 -2.171 1.00 71.54 H new ATOM 273 N THR A 18 7.114 -7.112 -4.980 1.00 0.23 N ATOM 274 CA THR A 18 7.695 -8.248 -4.285 1.00 61.13 C ATOM 275 C THR A 18 8.564 -7.694 -3.164 1.00 0.14 C ATOM 276 O THR A 18 9.294 -6.726 -3.397 1.00 23.13 O ATOM 277 CB THR A 18 8.537 -9.087 -5.250 1.00 41.33 C ATOM 278 OG1 THR A 18 7.797 -9.393 -6.408 1.00 71.33 O ATOM 279 CG2 THR A 18 9.029 -10.394 -4.629 1.00 73.41 C ATOM 0 H THR A 18 7.528 -6.918 -5.892 1.00 0.23 H new ATOM 0 HA THR A 18 6.915 -8.895 -3.882 1.00 61.13 H new ATOM 0 HB THR A 18 9.408 -8.481 -5.498 1.00 41.33 H new ATOM 0 HG1 THR A 18 7.174 -10.125 -6.214 1.00 71.33 H new ATOM 0 HG21 THR A 18 9.620 -10.945 -5.361 1.00 73.41 H new ATOM 0 HG22 THR A 18 9.645 -10.173 -3.757 1.00 73.41 H new ATOM 0 HG23 THR A 18 8.173 -10.997 -4.325 1.00 73.41 H new ATOM 287 N LEU A 19 8.527 -8.301 -1.973 1.00 35.30 N ATOM 288 CA LEU A 19 9.457 -8.001 -0.894 1.00 62.32 C ATOM 289 C LEU A 19 9.832 -9.281 -0.153 1.00 35.33 C ATOM 290 O LEU A 19 8.968 -10.106 0.128 1.00 40.35 O ATOM 291 CB LEU A 19 8.869 -6.958 0.073 1.00 3.14 C ATOM 292 CG LEU A 19 8.825 -5.515 -0.463 1.00 74.21 C ATOM 293 CD1 LEU A 19 8.243 -4.596 0.613 1.00 20.33 C ATOM 294 CD2 LEU A 19 10.196 -4.945 -0.854 1.00 72.15 C ATOM 0 H LEU A 19 7.843 -9.019 -1.735 1.00 35.30 H new ATOM 0 HA LEU A 19 10.360 -7.573 -1.328 1.00 62.32 H new ATOM 0 HB2 LEU A 19 7.856 -7.261 0.336 1.00 3.14 H new ATOM 0 HB3 LEU A 19 9.454 -6.969 0.993 1.00 3.14 H new ATOM 0 HG LEU A 19 8.213 -5.554 -1.364 1.00 74.21 H new ATOM 0 HD11 LEU A 19 8.210 -3.573 0.239 1.00 20.33 H new ATOM 0 HD12 LEU A 19 7.234 -4.923 0.864 1.00 20.33 H new ATOM 0 HD13 LEU A 19 8.870 -4.636 1.504 1.00 20.33 H new ATOM 0 HD21 LEU A 19 10.075 -3.926 -1.221 1.00 72.15 H new ATOM 0 HD22 LEU A 19 10.851 -4.942 0.018 1.00 72.15 H new ATOM 0 HD23 LEU A 19 10.637 -5.562 -1.637 1.00 72.15 H new ATOM 306 N ARG A 20 11.110 -9.431 0.209 1.00 15.02 N ATOM 307 CA ARG A 20 11.638 -10.594 0.927 1.00 3.43 C ATOM 308 C ARG A 20 11.970 -10.205 2.378 1.00 14.10 C ATOM 309 O ARG A 20 13.079 -9.741 2.641 1.00 55.43 O ATOM 310 CB ARG A 20 12.825 -11.139 0.105 1.00 13.21 C ATOM 311 CG ARG A 20 13.504 -12.364 0.726 1.00 63.35 C ATOM 312 CD ARG A 20 14.408 -13.109 -0.253 1.00 55.14 C ATOM 313 NE ARG A 20 13.641 -14.188 -0.892 1.00 52.33 N ATOM 314 CZ ARG A 20 14.029 -15.455 -1.069 1.00 12.32 C ATOM 315 NH1 ARG A 20 15.230 -15.874 -0.691 1.00 61.22 N ATOM 316 NH2 ARG A 20 13.185 -16.317 -1.612 1.00 53.13 N ATOM 0 H ARG A 20 11.823 -8.730 0.006 1.00 15.02 H new ATOM 0 HA ARG A 20 10.911 -11.401 1.020 1.00 3.43 H new ATOM 0 HB2 ARG A 20 12.473 -11.399 -0.893 1.00 13.21 H new ATOM 0 HB3 ARG A 20 13.565 -10.348 -0.014 1.00 13.21 H new ATOM 0 HG2 ARG A 20 14.093 -12.048 1.587 1.00 63.35 H new ATOM 0 HG3 ARG A 20 12.739 -13.047 1.097 1.00 63.35 H new ATOM 0 HD2 ARG A 20 14.791 -12.422 -1.008 1.00 55.14 H new ATOM 0 HD3 ARG A 20 15.271 -13.521 0.271 1.00 55.14 H new ATOM 0 HE ARG A 20 12.713 -13.944 -1.238 1.00 52.33 H new ATOM 0 HH11 ARG A 20 15.883 -15.224 -0.253 1.00 61.22 H new ATOM 0 HH12 ARG A 20 15.500 -16.846 -0.838 1.00 61.22 H new ATOM 0 HH21 ARG A 20 12.252 -16.012 -1.889 1.00 53.13 H new ATOM 0 HH22 ARG A 20 13.467 -17.287 -1.753 1.00 53.13 H new ATOM 330 N TYR A 21 11.013 -10.310 3.316 1.00 1.30 N ATOM 331 CA TYR A 21 11.119 -9.845 4.713 1.00 12.43 C ATOM 332 C TYR A 21 12.098 -10.596 5.587 1.00 31.31 C ATOM 333 O TYR A 21 12.292 -10.274 6.762 1.00 25.24 O ATOM 334 CB TYR A 21 9.705 -9.821 5.310 1.00 70.13 C ATOM 335 CG TYR A 21 9.560 -9.355 6.746 1.00 52.23 C ATOM 336 CD1 TYR A 21 9.762 -8.003 7.047 1.00 70.24 C ATOM 337 CD2 TYR A 21 9.242 -10.256 7.779 1.00 64.44 C ATOM 338 CE1 TYR A 21 9.635 -7.522 8.357 1.00 2.14 C ATOM 339 CE2 TYR A 21 9.112 -9.790 9.098 1.00 72.31 C ATOM 340 CZ TYR A 21 9.270 -8.416 9.384 1.00 45.13 C ATOM 341 OH TYR A 21 9.175 -7.963 10.659 1.00 71.51 O ATOM 0 H TYR A 21 10.109 -10.737 3.116 1.00 1.30 H new ATOM 0 HA TYR A 21 11.553 -8.845 4.687 1.00 12.43 H new ATOM 0 HB2 TYR A 21 9.086 -9.179 4.684 1.00 70.13 H new ATOM 0 HB3 TYR A 21 9.293 -10.828 5.240 1.00 70.13 H new ATOM 0 HD1 TYR A 21 10.021 -7.317 6.254 1.00 70.24 H new ATOM 0 HD2 TYR A 21 9.098 -11.303 7.558 1.00 64.44 H new ATOM 0 HE1 TYR A 21 9.814 -6.480 8.577 1.00 2.14 H new ATOM 0 HE2 TYR A 21 8.891 -10.484 9.895 1.00 72.31 H new ATOM 0 HH TYR A 21 8.913 -8.700 11.249 1.00 71.51 H new ATOM 351 N GLY A 22 12.815 -11.519 4.999 1.00 21.11 N ATOM 352 CA GLY A 22 13.410 -12.558 5.786 1.00 65.42 C ATOM 353 C GLY A 22 13.799 -13.716 4.893 1.00 24.12 C ATOM 354 O GLY A 22 14.673 -13.530 4.037 1.00 2.03 O ATOM 0 H GLY A 22 12.997 -11.570 3.997 1.00 21.11 H new ATOM 0 HA2 GLY A 22 14.289 -12.176 6.305 1.00 65.42 H new ATOM 0 HA3 GLY A 22 12.709 -12.895 6.550 1.00 65.42 H new ATOM 358 N GLU A 23 13.124 -14.861 5.034 1.00 44.42 N ATOM 359 CA GLU A 23 13.273 -15.980 4.125 1.00 61.13 C ATOM 360 C GLU A 23 12.023 -16.118 3.233 1.00 35.10 C ATOM 361 O GLU A 23 12.126 -16.604 2.106 1.00 2.10 O ATOM 362 CB GLU A 23 13.745 -17.213 4.915 1.00 42.01 C ATOM 363 CG GLU A 23 12.590 -18.116 5.324 1.00 2.41 C ATOM 364 CD GLU A 23 12.363 -19.308 4.368 1.00 40.11 C ATOM 365 OE1 GLU A 23 12.877 -19.314 3.219 1.00 74.21 O ATOM 366 OE2 GLU A 23 11.642 -20.257 4.736 1.00 13.03 O ATOM 0 H GLU A 23 12.458 -15.029 5.788 1.00 44.42 H new ATOM 0 HA GLU A 23 14.064 -15.825 3.392 1.00 61.13 H new ATOM 0 HB2 GLU A 23 14.450 -17.782 4.309 1.00 42.01 H new ATOM 0 HB3 GLU A 23 14.281 -16.887 5.806 1.00 42.01 H new ATOM 0 HG2 GLU A 23 12.777 -18.498 6.328 1.00 2.41 H new ATOM 0 HG3 GLU A 23 11.677 -17.523 5.374 1.00 2.41 H new ATOM 373 N ASP A 24 10.874 -15.580 3.677 1.00 15.03 N ATOM 374 CA ASP A 24 9.572 -15.718 3.006 1.00 14.31 C ATOM 375 C ASP A 24 9.310 -14.531 2.077 1.00 32.13 C ATOM 376 O ASP A 24 9.159 -13.387 2.516 1.00 3.14 O ATOM 377 CB ASP A 24 8.407 -15.702 3.986 1.00 5.34 C ATOM 378 CG ASP A 24 8.203 -16.943 4.828 1.00 32.31 C ATOM 379 OD1 ASP A 24 7.565 -17.896 4.328 1.00 30.20 O ATOM 380 OD2 ASP A 24 8.625 -16.935 6.005 1.00 45.13 O ATOM 0 H ASP A 24 10.825 -15.025 4.531 1.00 15.03 H new ATOM 0 HA ASP A 24 9.628 -16.668 2.474 1.00 14.31 H new ATOM 0 HB2 ASP A 24 8.541 -14.854 4.658 1.00 5.34 H new ATOM 0 HB3 ASP A 24 7.492 -15.520 3.422 1.00 5.34 H new ATOM 385 N SER A 25 9.314 -14.780 0.784 1.00 43.41 N ATOM 386 CA SER A 25 9.022 -13.786 -0.235 1.00 22.32 C ATOM 387 C SER A 25 7.517 -13.507 -0.243 1.00 64.43 C ATOM 388 O SER A 25 6.722 -14.447 -0.234 1.00 22.13 O ATOM 389 CB SER A 25 9.473 -14.301 -1.605 1.00 42.11 C ATOM 390 OG SER A 25 10.628 -15.121 -1.499 1.00 54.44 O ATOM 0 H SER A 25 9.525 -15.701 0.400 1.00 43.41 H new ATOM 0 HA SER A 25 9.559 -12.863 -0.016 1.00 22.32 H new ATOM 0 HB2 SER A 25 8.664 -14.868 -2.066 1.00 42.11 H new ATOM 0 HB3 SER A 25 9.684 -13.456 -2.261 1.00 42.11 H new ATOM 0 HG SER A 25 10.364 -16.064 -1.531 1.00 54.44 H new ATOM 396 N TYR A 26 7.136 -12.238 -0.291 1.00 61.54 N ATOM 397 CA TYR A 26 5.776 -11.724 -0.334 1.00 20.34 C ATOM 398 C TYR A 26 5.575 -10.942 -1.627 1.00 52.04 C ATOM 399 O TYR A 26 6.540 -10.387 -2.152 1.00 33.30 O ATOM 400 CB TYR A 26 5.603 -10.767 0.850 1.00 15.14 C ATOM 401 CG TYR A 26 5.961 -11.311 2.219 1.00 61.12 C ATOM 402 CD1 TYR A 26 5.799 -12.672 2.533 1.00 42.21 C ATOM 403 CD2 TYR A 26 6.458 -10.430 3.190 1.00 24.34 C ATOM 404 CE1 TYR A 26 6.112 -13.141 3.820 1.00 43.33 C ATOM 405 CE2 TYR A 26 6.754 -10.887 4.481 1.00 5.04 C ATOM 406 CZ TYR A 26 6.600 -12.251 4.801 1.00 74.15 C ATOM 407 OH TYR A 26 6.899 -12.701 6.049 1.00 71.12 O ATOM 0 H TYR A 26 7.823 -11.484 -0.302 1.00 61.54 H new ATOM 0 HA TYR A 26 5.057 -12.541 -0.286 1.00 20.34 H new ATOM 0 HB2 TYR A 26 6.212 -9.882 0.665 1.00 15.14 H new ATOM 0 HB3 TYR A 26 4.564 -10.439 0.874 1.00 15.14 H new ATOM 0 HD1 TYR A 26 5.433 -13.358 1.783 1.00 42.21 H new ATOM 0 HD2 TYR A 26 6.614 -9.391 2.941 1.00 24.34 H new ATOM 0 HE1 TYR A 26 5.979 -14.186 4.059 1.00 43.33 H new ATOM 0 HE2 TYR A 26 7.101 -10.193 5.232 1.00 5.04 H new ATOM 0 HH TYR A 26 7.223 -11.956 6.597 1.00 71.12 H new ATOM 417 N ASP A 27 4.334 -10.823 -2.106 1.00 15.01 N ATOM 418 CA ASP A 27 4.026 -10.249 -3.419 1.00 61.54 C ATOM 419 C ASP A 27 2.775 -9.377 -3.358 1.00 20.14 C ATOM 420 O ASP A 27 1.660 -9.801 -3.668 1.00 20.45 O ATOM 421 CB ASP A 27 3.894 -11.387 -4.444 1.00 43.11 C ATOM 422 CG ASP A 27 5.198 -11.712 -5.171 1.00 43.32 C ATOM 423 OD1 ASP A 27 5.691 -10.856 -5.939 1.00 64.25 O ATOM 424 OD2 ASP A 27 5.666 -12.870 -5.063 1.00 42.33 O ATOM 0 H ASP A 27 3.508 -11.125 -1.589 1.00 15.01 H new ATOM 0 HA ASP A 27 4.839 -9.594 -3.733 1.00 61.54 H new ATOM 0 HB2 ASP A 27 3.539 -12.283 -3.935 1.00 43.11 H new ATOM 0 HB3 ASP A 27 3.136 -11.116 -5.179 1.00 43.11 H new ATOM 429 N LEU A 28 2.952 -8.145 -2.882 1.00 35.23 N ATOM 430 CA LEU A 28 1.839 -7.284 -2.510 1.00 73.30 C ATOM 431 C LEU A 28 1.263 -6.519 -3.712 1.00 23.11 C ATOM 432 O LEU A 28 2.026 -6.029 -4.554 1.00 15.01 O ATOM 433 CB LEU A 28 2.347 -6.311 -1.439 1.00 31.13 C ATOM 434 CG LEU A 28 2.727 -7.074 -0.153 1.00 0.35 C ATOM 435 CD1 LEU A 28 4.195 -7.486 -0.011 1.00 31.32 C ATOM 436 CD2 LEU A 28 2.333 -6.247 1.070 1.00 14.23 C ATOM 0 H LEU A 28 3.869 -7.720 -2.745 1.00 35.23 H new ATOM 0 HA LEU A 28 1.023 -7.896 -2.126 1.00 73.30 H new ATOM 0 HB2 LEU A 28 3.213 -5.766 -1.815 1.00 31.13 H new ATOM 0 HB3 LEU A 28 1.578 -5.572 -1.216 1.00 31.13 H new ATOM 0 HG LEU A 28 2.172 -8.010 -0.226 1.00 0.35 H new ATOM 0 HD11 LEU A 28 4.335 -8.014 0.932 1.00 31.32 H new ATOM 0 HD12 LEU A 28 4.471 -8.141 -0.838 1.00 31.32 H new ATOM 0 HD13 LEU A 28 4.826 -6.597 -0.026 1.00 31.32 H new ATOM 0 HD21 LEU A 28 2.602 -6.788 1.977 1.00 14.23 H new ATOM 0 HD22 LEU A 28 2.858 -5.292 1.048 1.00 14.23 H new ATOM 0 HD23 LEU A 28 1.257 -6.070 1.059 1.00 14.23 H new ATOM 448 N PRO A 29 -0.066 -6.309 -3.780 1.00 64.44 N ATOM 449 CA PRO A 29 -0.681 -5.644 -4.923 1.00 64.21 C ATOM 450 C PRO A 29 -0.546 -4.134 -4.817 1.00 42.12 C ATOM 451 O PRO A 29 -0.402 -3.579 -3.728 1.00 42.24 O ATOM 452 CB PRO A 29 -2.164 -6.031 -4.895 1.00 13.42 C ATOM 453 CG PRO A 29 -2.429 -6.366 -3.434 1.00 23.55 C ATOM 454 CD PRO A 29 -1.086 -6.847 -2.891 1.00 42.40 C ATOM 0 HA PRO A 29 -0.195 -5.947 -5.850 1.00 64.21 H new ATOM 0 HB2 PRO A 29 -2.797 -5.212 -5.238 1.00 13.42 H new ATOM 0 HB3 PRO A 29 -2.366 -6.884 -5.543 1.00 13.42 H new ATOM 0 HG2 PRO A 29 -2.786 -5.493 -2.887 1.00 23.55 H new ATOM 0 HG3 PRO A 29 -3.193 -7.137 -3.338 1.00 23.55 H new ATOM 0 HD2 PRO A 29 -0.933 -6.499 -1.869 1.00 42.40 H new ATOM 0 HD3 PRO A 29 -1.045 -7.936 -2.867 1.00 42.40 H new ATOM 462 N ALA A 30 -0.642 -3.447 -5.951 1.00 40.02 N ATOM 463 CA ALA A 30 -0.455 -2.013 -5.986 1.00 42.14 C ATOM 464 C ALA A 30 -1.579 -1.280 -5.236 1.00 63.31 C ATOM 465 O ALA A 30 -1.275 -0.347 -4.498 1.00 53.33 O ATOM 466 CB ALA A 30 -0.350 -1.522 -7.427 1.00 23.25 C ATOM 0 H ALA A 30 -0.849 -3.868 -6.857 1.00 40.02 H new ATOM 0 HA ALA A 30 0.481 -1.785 -5.475 1.00 42.14 H new ATOM 0 HB1 ALA A 30 -0.210 -0.441 -7.434 1.00 23.25 H new ATOM 0 HB2 ALA A 30 0.499 -2.001 -7.914 1.00 23.25 H new ATOM 0 HB3 ALA A 30 -1.265 -1.772 -7.964 1.00 23.25 H new ATOM 472 N GLU A 31 -2.847 -1.697 -5.394 1.00 13.33 N ATOM 473 CA GLU A 31 -3.994 -1.096 -4.690 1.00 44.20 C ATOM 474 C GLU A 31 -3.733 -1.111 -3.183 1.00 64.22 C ATOM 475 O GLU A 31 -3.910 -0.090 -2.517 1.00 54.23 O ATOM 476 CB GLU A 31 -5.303 -1.856 -4.998 1.00 62.14 C ATOM 477 CG GLU A 31 -6.476 -1.567 -4.028 1.00 42.20 C ATOM 478 CD GLU A 31 -7.076 -0.157 -4.106 1.00 62.13 C ATOM 479 OE1 GLU A 31 -6.408 0.774 -4.592 1.00 0.02 O ATOM 480 OE2 GLU A 31 -8.223 0.031 -3.641 1.00 14.34 O ATOM 0 H GLU A 31 -3.107 -2.463 -6.016 1.00 13.33 H new ATOM 0 HA GLU A 31 -4.108 -0.069 -5.038 1.00 44.20 H new ATOM 0 HB2 GLU A 31 -5.620 -1.606 -6.011 1.00 62.14 H new ATOM 0 HB3 GLU A 31 -5.095 -2.926 -4.983 1.00 62.14 H new ATOM 0 HG2 GLU A 31 -7.269 -2.290 -4.221 1.00 42.20 H new ATOM 0 HG3 GLU A 31 -6.130 -1.738 -3.009 1.00 42.20 H new ATOM 487 N PHE A 32 -3.315 -2.265 -2.633 1.00 22.43 N ATOM 488 CA PHE A 32 -3.043 -2.369 -1.202 1.00 51.23 C ATOM 489 C PHE A 32 -2.058 -1.284 -0.772 1.00 41.33 C ATOM 490 O PHE A 32 -2.279 -0.568 0.210 1.00 40.00 O ATOM 491 CB PHE A 32 -2.489 -3.760 -0.887 1.00 15.12 C ATOM 492 CG PHE A 32 -1.880 -3.880 0.484 1.00 14.13 C ATOM 493 CD1 PHE A 32 -2.703 -4.113 1.595 1.00 3.42 C ATOM 494 CD2 PHE A 32 -0.492 -3.729 0.656 1.00 0.42 C ATOM 495 CE1 PHE A 32 -2.148 -4.176 2.873 1.00 41.34 C ATOM 496 CE2 PHE A 32 0.066 -3.771 1.943 1.00 50.12 C ATOM 497 CZ PHE A 32 -0.766 -3.994 3.049 1.00 45.01 C ATOM 0 H PHE A 32 -3.162 -3.126 -3.158 1.00 22.43 H new ATOM 0 HA PHE A 32 -3.969 -2.225 -0.646 1.00 51.23 H new ATOM 0 HB2 PHE A 32 -3.293 -4.490 -0.981 1.00 15.12 H new ATOM 0 HB3 PHE A 32 -1.736 -4.017 -1.632 1.00 15.12 H new ATOM 0 HD1 PHE A 32 -3.767 -4.244 1.461 1.00 3.42 H new ATOM 0 HD2 PHE A 32 0.145 -3.581 -0.203 1.00 0.42 H new ATOM 0 HE1 PHE A 32 -2.781 -4.365 3.728 1.00 41.34 H new ATOM 0 HE2 PHE A 32 1.128 -3.633 2.080 1.00 50.12 H new ATOM 0 HZ PHE A 32 -0.342 -4.026 4.042 1.00 45.01 H new ATOM 507 N LEU A 33 -0.970 -1.164 -1.534 1.00 0.32 N ATOM 508 CA LEU A 33 0.111 -0.264 -1.189 1.00 54.30 C ATOM 509 C LEU A 33 -0.336 1.192 -1.307 1.00 31.21 C ATOM 510 O LEU A 33 0.115 2.026 -0.520 1.00 4.35 O ATOM 511 CB LEU A 33 1.353 -0.522 -2.050 1.00 44.23 C ATOM 512 CG LEU A 33 1.870 -1.968 -1.976 1.00 52.00 C ATOM 513 CD1 LEU A 33 2.769 -2.257 -3.168 1.00 4.05 C ATOM 514 CD2 LEU A 33 2.611 -2.286 -0.684 1.00 0.42 C ATOM 0 H LEU A 33 -0.822 -1.686 -2.398 1.00 0.32 H new ATOM 0 HA LEU A 33 0.382 -0.457 -0.151 1.00 54.30 H new ATOM 0 HB2 LEU A 33 1.121 -0.282 -3.088 1.00 44.23 H new ATOM 0 HB3 LEU A 33 2.148 0.155 -1.736 1.00 44.23 H new ATOM 0 HG LEU A 33 0.990 -2.611 -1.995 1.00 52.00 H new ATOM 0 HD11 LEU A 33 3.132 -3.283 -3.110 1.00 4.05 H new ATOM 0 HD12 LEU A 33 2.204 -2.124 -4.091 1.00 4.05 H new ATOM 0 HD13 LEU A 33 3.616 -1.571 -3.159 1.00 4.05 H new ATOM 0 HD21 LEU A 33 2.946 -3.323 -0.703 1.00 0.42 H new ATOM 0 HD22 LEU A 33 3.474 -1.627 -0.588 1.00 0.42 H new ATOM 0 HD23 LEU A 33 1.944 -2.136 0.165 1.00 0.42 H new ATOM 526 N ARG A 34 -1.238 1.505 -2.243 1.00 13.12 N ATOM 527 CA ARG A 34 -1.817 2.834 -2.330 1.00 32.21 C ATOM 528 C ARG A 34 -2.641 3.124 -1.082 1.00 52.42 C ATOM 529 O ARG A 34 -2.410 4.155 -0.461 1.00 44.02 O ATOM 530 CB ARG A 34 -2.633 3.017 -3.626 1.00 21.21 C ATOM 531 CG ARG A 34 -3.426 4.337 -3.652 1.00 40.32 C ATOM 532 CD ARG A 34 -2.563 5.594 -3.470 1.00 23.32 C ATOM 533 NE ARG A 34 -3.325 6.681 -2.838 1.00 51.23 N ATOM 534 CZ ARG A 34 -2.788 7.661 -2.100 1.00 12.01 C ATOM 535 NH1 ARG A 34 -1.471 7.858 -2.097 1.00 60.34 N ATOM 536 NH2 ARG A 34 -3.565 8.415 -1.335 1.00 33.53 N ATOM 0 H ARG A 34 -1.578 0.850 -2.948 1.00 13.12 H new ATOM 0 HA ARG A 34 -1.009 3.564 -2.377 1.00 32.21 H new ATOM 0 HB2 ARG A 34 -1.958 2.987 -4.482 1.00 21.21 H new ATOM 0 HB3 ARG A 34 -3.324 2.181 -3.736 1.00 21.21 H new ATOM 0 HG2 ARG A 34 -3.958 4.409 -4.601 1.00 40.32 H new ATOM 0 HG3 ARG A 34 -4.180 4.310 -2.865 1.00 40.32 H new ATOM 0 HD2 ARG A 34 -1.693 5.354 -2.859 1.00 23.32 H new ATOM 0 HD3 ARG A 34 -2.190 5.925 -4.439 1.00 23.32 H new ATOM 0 HE ARG A 34 -4.336 6.689 -2.971 1.00 51.23 H new ATOM 0 HH11 ARG A 34 -0.865 7.261 -2.659 1.00 60.34 H new ATOM 0 HH12 ARG A 34 -1.069 8.606 -1.533 1.00 60.34 H new ATOM 0 HH21 ARG A 34 -4.571 8.248 -1.309 1.00 33.53 H new ATOM 0 HH22 ARG A 34 -3.157 9.162 -0.773 1.00 33.53 H new ATOM 550 N VAL A 35 -3.601 2.278 -0.708 1.00 0.45 N ATOM 551 CA VAL A 35 -4.514 2.651 0.372 1.00 64.31 C ATOM 552 C VAL A 35 -3.785 2.767 1.716 1.00 12.13 C ATOM 553 O VAL A 35 -4.112 3.669 2.490 1.00 44.40 O ATOM 554 CB VAL A 35 -5.766 1.759 0.398 1.00 60.32 C ATOM 555 CG1 VAL A 35 -6.533 1.905 -0.930 1.00 4.24 C ATOM 556 CG2 VAL A 35 -5.503 0.273 0.684 1.00 32.22 C ATOM 0 H VAL A 35 -3.764 1.360 -1.121 1.00 0.45 H new ATOM 0 HA VAL A 35 -4.891 3.653 0.167 1.00 64.31 H new ATOM 0 HB VAL A 35 -6.359 2.115 1.240 1.00 60.32 H new ATOM 0 HG11 VAL A 35 -7.420 1.272 -0.909 1.00 4.24 H new ATOM 0 HG12 VAL A 35 -6.832 2.944 -1.065 1.00 4.24 H new ATOM 0 HG13 VAL A 35 -5.890 1.602 -1.757 1.00 4.24 H new ATOM 0 HG21 VAL A 35 -6.448 -0.271 0.681 1.00 32.22 H new ATOM 0 HG22 VAL A 35 -4.847 -0.135 -0.085 1.00 32.22 H new ATOM 0 HG23 VAL A 35 -5.027 0.169 1.659 1.00 32.22 H new ATOM 566 N HIS A 36 -2.776 1.923 1.991 1.00 3.41 N ATOM 567 CA HIS A 36 -1.966 2.090 3.205 1.00 61.11 C ATOM 568 C HIS A 36 -0.939 3.230 3.111 1.00 64.21 C ATOM 569 O HIS A 36 -0.159 3.414 4.053 1.00 30.24 O ATOM 570 CB HIS A 36 -1.332 0.760 3.662 1.00 31.31 C ATOM 571 CG HIS A 36 -0.080 0.287 2.975 1.00 50.44 C ATOM 572 ND1 HIS A 36 0.625 0.920 1.975 1.00 24.55 N ATOM 573 CD2 HIS A 36 0.596 -0.858 3.304 1.00 70.10 C ATOM 574 CE1 HIS A 36 1.703 0.168 1.717 1.00 61.41 C ATOM 575 NE2 HIS A 36 1.738 -0.927 2.491 1.00 14.24 N ATOM 0 H HIS A 36 -2.507 1.135 1.402 1.00 3.41 H new ATOM 0 HA HIS A 36 -2.662 2.399 3.985 1.00 61.11 H new ATOM 0 HB2 HIS A 36 -1.114 0.846 4.726 1.00 31.31 H new ATOM 0 HB3 HIS A 36 -2.085 -0.021 3.553 1.00 31.31 H new ATOM 0 HD1 HIS A 36 0.374 1.796 1.517 1.00 24.55 H new ATOM 0 HD2 HIS A 36 0.303 -1.578 4.054 1.00 70.10 H new ATOM 0 HE1 HIS A 36 2.451 0.413 0.978 1.00 61.41 H new ATOM 583 N SER A 37 -0.872 3.955 1.986 1.00 3.12 N ATOM 584 CA SER A 37 0.189 4.913 1.775 1.00 41.10 C ATOM 585 C SER A 37 0.047 6.093 2.729 1.00 31.33 C ATOM 586 O SER A 37 -1.068 6.580 2.943 1.00 65.30 O ATOM 587 CB SER A 37 0.132 5.420 0.347 1.00 42.42 C ATOM 588 OG SER A 37 1.236 6.236 0.080 1.00 22.23 O ATOM 0 H SER A 37 -1.542 3.887 1.220 1.00 3.12 H new ATOM 0 HA SER A 37 1.144 4.421 1.962 1.00 41.10 H new ATOM 0 HB2 SER A 37 0.117 4.578 -0.345 1.00 42.42 H new ATOM 0 HB3 SER A 37 -0.790 5.980 0.189 1.00 42.42 H new ATOM 0 HG SER A 37 2.052 5.693 0.082 1.00 22.23 H new ATOM 594 N PRO A 38 1.165 6.646 3.216 1.00 2.25 N ATOM 595 CA PRO A 38 1.163 7.908 3.920 1.00 34.22 C ATOM 596 C PRO A 38 0.868 9.047 2.949 1.00 42.13 C ATOM 597 O PRO A 38 0.945 8.904 1.718 1.00 41.34 O ATOM 598 CB PRO A 38 2.559 8.040 4.525 1.00 62.20 C ATOM 599 CG PRO A 38 3.440 7.290 3.533 1.00 43.13 C ATOM 600 CD PRO A 38 2.524 6.146 3.122 1.00 30.43 C ATOM 0 HA PRO A 38 0.396 7.951 4.693 1.00 34.22 H new ATOM 0 HB2 PRO A 38 2.859 9.083 4.621 1.00 62.20 H new ATOM 0 HB3 PRO A 38 2.610 7.600 5.521 1.00 62.20 H new ATOM 0 HG2 PRO A 38 3.725 7.912 2.685 1.00 43.13 H new ATOM 0 HG3 PRO A 38 4.362 6.933 3.991 1.00 43.13 H new ATOM 0 HD2 PRO A 38 2.746 5.818 2.107 1.00 30.43 H new ATOM 0 HD3 PRO A 38 2.665 5.284 3.774 1.00 30.43 H new ATOM 608 N SER A 39 0.540 10.185 3.540 1.00 31.53 N ATOM 609 CA SER A 39 0.185 11.415 2.918 1.00 72.12 C ATOM 610 C SER A 39 1.396 12.353 3.038 1.00 50.32 C ATOM 611 O SER A 39 1.481 13.182 3.948 1.00 70.43 O ATOM 612 CB SER A 39 -1.064 11.839 3.667 1.00 62.52 C ATOM 613 OG SER A 39 -2.083 10.843 3.610 1.00 70.10 O ATOM 0 H SER A 39 0.519 10.259 4.557 1.00 31.53 H new ATOM 0 HA SER A 39 -0.041 11.388 1.852 1.00 72.12 H new ATOM 0 HB2 SER A 39 -0.812 12.041 4.708 1.00 62.52 H new ATOM 0 HB3 SER A 39 -1.442 12.770 3.244 1.00 62.52 H new ATOM 0 HG SER A 39 -2.870 11.152 4.105 1.00 70.10 H new ATOM 736 N VAL A 49 -7.332 10.227 6.014 1.00 21.14 N ATOM 737 CA VAL A 49 -8.411 10.244 5.045 1.00 10.41 C ATOM 738 C VAL A 49 -8.526 8.821 4.530 1.00 1.24 C ATOM 739 O VAL A 49 -7.520 8.177 4.209 1.00 53.11 O ATOM 740 CB VAL A 49 -8.115 11.238 3.915 1.00 12.45 C ATOM 741 CG1 VAL A 49 -9.280 11.338 2.924 1.00 14.23 C ATOM 742 CG2 VAL A 49 -7.838 12.632 4.487 1.00 51.44 C ATOM 0 HA VAL A 49 -9.350 10.573 5.490 1.00 10.41 H new ATOM 0 HB VAL A 49 -7.237 10.866 3.388 1.00 12.45 H new ATOM 0 HG11 VAL A 49 -9.030 12.052 2.139 1.00 14.23 H new ATOM 0 HG12 VAL A 49 -9.464 10.360 2.479 1.00 14.23 H new ATOM 0 HG13 VAL A 49 -10.175 11.673 3.448 1.00 14.23 H new ATOM 0 HG21 VAL A 49 -7.630 13.325 3.672 1.00 51.44 H new ATOM 0 HG22 VAL A 49 -8.710 12.977 5.043 1.00 51.44 H new ATOM 0 HG23 VAL A 49 -6.977 12.587 5.154 1.00 51.44 H new ATOM 752 N LEU A 50 -9.754 8.329 4.439 1.00 23.55 N ATOM 753 CA LEU A 50 -10.014 7.015 3.888 1.00 71.42 C ATOM 754 C LEU A 50 -9.942 7.097 2.368 1.00 21.35 C ATOM 755 O LEU A 50 -10.446 8.041 1.754 1.00 63.10 O ATOM 756 CB LEU A 50 -11.375 6.520 4.388 1.00 23.55 C ATOM 757 CG LEU A 50 -11.720 5.110 3.891 1.00 23.31 C ATOM 758 CD1 LEU A 50 -10.714 4.044 4.348 1.00 4.24 C ATOM 759 CD2 LEU A 50 -13.106 4.793 4.433 1.00 1.32 C ATOM 0 H LEU A 50 -10.589 8.829 4.744 1.00 23.55 H new ATOM 0 HA LEU A 50 -9.266 6.294 4.217 1.00 71.42 H new ATOM 0 HB2 LEU A 50 -11.380 6.526 5.478 1.00 23.55 H new ATOM 0 HB3 LEU A 50 -12.150 7.214 4.062 1.00 23.55 H new ATOM 0 HG LEU A 50 -11.686 5.092 2.802 1.00 23.31 H new ATOM 0 HD11 LEU A 50 -11.016 3.070 3.963 1.00 4.24 H new ATOM 0 HD12 LEU A 50 -9.723 4.293 3.969 1.00 4.24 H new ATOM 0 HD13 LEU A 50 -10.688 4.011 5.437 1.00 4.24 H new ATOM 0 HD21 LEU A 50 -13.404 3.796 4.109 1.00 1.32 H new ATOM 0 HD22 LEU A 50 -13.088 4.830 5.522 1.00 1.32 H new ATOM 0 HD23 LEU A 50 -13.820 5.526 4.057 1.00 1.32 H new ATOM 771 N GLN A 51 -9.283 6.112 1.770 1.00 70.33 N ATOM 772 CA GLN A 51 -8.954 6.054 0.360 1.00 62.23 C ATOM 773 C GLN A 51 -9.781 4.927 -0.246 1.00 63.33 C ATOM 774 O GLN A 51 -9.672 3.781 0.204 1.00 75.23 O ATOM 775 CB GLN A 51 -7.432 5.864 0.247 1.00 44.30 C ATOM 776 CG GLN A 51 -6.678 7.113 0.725 1.00 52.41 C ATOM 777 CD GLN A 51 -6.912 8.297 -0.208 1.00 10.23 C ATOM 778 OE1 GLN A 51 -6.383 8.343 -1.319 1.00 0.05 O ATOM 779 NE2 GLN A 51 -7.741 9.243 0.194 1.00 33.44 N ATOM 0 H GLN A 51 -8.950 5.296 2.283 1.00 70.33 H new ATOM 0 HA GLN A 51 -9.196 6.961 -0.193 1.00 62.23 H new ATOM 0 HB2 GLN A 51 -7.126 5.002 0.840 1.00 44.30 H new ATOM 0 HB3 GLN A 51 -7.166 5.649 -0.788 1.00 44.30 H new ATOM 0 HG2 GLN A 51 -7.003 7.372 1.733 1.00 52.41 H new ATOM 0 HG3 GLN A 51 -5.611 6.897 0.780 1.00 52.41 H new ATOM 0 HE21 GLN A 51 -8.169 9.187 1.118 1.00 33.44 H new ATOM 0 HE22 GLN A 51 -7.953 10.030 -0.420 1.00 33.44 H new ATOM 788 N TYR A 52 -10.692 5.282 -1.156 1.00 4.01 N ATOM 789 CA TYR A 52 -11.635 4.388 -1.815 1.00 24.24 C ATOM 790 C TYR A 52 -11.819 4.778 -3.288 1.00 60.44 C ATOM 791 O TYR A 52 -11.215 5.742 -3.769 1.00 53.03 O ATOM 792 CB TYR A 52 -12.969 4.419 -1.059 1.00 32.41 C ATOM 793 CG TYR A 52 -13.663 5.765 -1.020 1.00 22.44 C ATOM 794 CD1 TYR A 52 -14.570 6.122 -2.034 1.00 41.01 C ATOM 795 CD2 TYR A 52 -13.404 6.659 0.037 1.00 21.41 C ATOM 796 CE1 TYR A 52 -15.197 7.377 -2.011 1.00 1.31 C ATOM 797 CE2 TYR A 52 -14.040 7.910 0.075 1.00 1.11 C ATOM 798 CZ TYR A 52 -14.927 8.279 -0.960 1.00 21.54 C ATOM 799 OH TYR A 52 -15.538 9.492 -0.929 1.00 74.53 O ATOM 0 H TYR A 52 -10.793 6.249 -1.465 1.00 4.01 H new ATOM 0 HA TYR A 52 -11.243 3.371 -1.798 1.00 24.24 H new ATOM 0 HB2 TYR A 52 -13.643 3.695 -1.516 1.00 32.41 H new ATOM 0 HB3 TYR A 52 -12.794 4.089 -0.035 1.00 32.41 H new ATOM 0 HD1 TYR A 52 -14.785 5.428 -2.833 1.00 41.01 H new ATOM 0 HD2 TYR A 52 -12.714 6.381 0.820 1.00 21.41 H new ATOM 0 HE1 TYR A 52 -15.885 7.652 -2.797 1.00 1.31 H new ATOM 0 HE2 TYR A 52 -13.851 8.589 0.894 1.00 1.11 H new ATOM 0 HH TYR A 52 -15.241 9.988 -0.138 1.00 74.53 H new ATOM 809 N GLY A 53 -12.689 4.044 -3.991 1.00 31.45 N ATOM 810 CA GLY A 53 -13.064 4.267 -5.387 1.00 11.45 C ATOM 811 C GLY A 53 -11.841 4.353 -6.294 1.00 72.23 C ATOM 812 O GLY A 53 -11.702 5.329 -7.042 1.00 54.31 O ATOM 0 H GLY A 53 -13.171 3.243 -3.582 1.00 31.45 H new ATOM 0 HA2 GLY A 53 -13.710 3.457 -5.724 1.00 11.45 H new ATOM 0 HA3 GLY A 53 -13.641 5.188 -5.466 1.00 11.45 H new ATOM 816 N LYS A 54 -10.927 3.380 -6.185 1.00 33.44 N ATOM 817 CA LYS A 54 -9.688 3.305 -6.958 1.00 22.14 C ATOM 818 C LYS A 54 -9.252 1.873 -7.280 1.00 71.30 C ATOM 819 O LYS A 54 -8.236 1.771 -7.960 1.00 1.45 O ATOM 820 CB LYS A 54 -8.553 4.047 -6.214 1.00 72.44 C ATOM 821 CG LYS A 54 -8.544 5.576 -6.377 1.00 14.22 C ATOM 822 CD LYS A 54 -8.098 6.020 -7.786 1.00 4.15 C ATOM 823 CE LYS A 54 -8.712 7.357 -8.215 1.00 71.04 C ATOM 824 NZ LYS A 54 -10.151 7.218 -8.514 1.00 23.24 N ATOM 0 H LYS A 54 -11.036 2.601 -5.536 1.00 33.44 H new ATOM 0 HA LYS A 54 -9.893 3.788 -7.913 1.00 22.14 H new ATOM 0 HB2 LYS A 54 -8.625 3.813 -5.152 1.00 72.44 H new ATOM 0 HB3 LYS A 54 -7.597 3.656 -6.563 1.00 72.44 H new ATOM 0 HG2 LYS A 54 -9.542 5.965 -6.177 1.00 14.22 H new ATOM 0 HG3 LYS A 54 -7.877 6.013 -5.634 1.00 14.22 H new ATOM 0 HD2 LYS A 54 -7.011 6.102 -7.808 1.00 4.15 H new ATOM 0 HD3 LYS A 54 -8.375 5.251 -8.508 1.00 4.15 H new ATOM 0 HE2 LYS A 54 -8.573 8.094 -7.424 1.00 71.04 H new ATOM 0 HE3 LYS A 54 -8.191 7.733 -9.095 1.00 71.04 H new ATOM 0 HZ1 LYS A 54 -10.637 8.113 -8.305 1.00 23.24 H new ATOM 0 HZ2 LYS A 54 -10.276 6.983 -9.519 1.00 23.24 H new ATOM 0 HZ3 LYS A 54 -10.555 6.459 -7.929 1.00 23.24 H new ATOM 838 N LEU A 55 -9.976 0.795 -6.922 1.00 75.10 N ATOM 839 CA LEU A 55 -9.460 -0.596 -6.887 1.00 74.00 C ATOM 840 C LEU A 55 -8.640 -1.028 -8.108 1.00 20.14 C ATOM 841 O LEU A 55 -7.730 -1.843 -8.000 1.00 64.01 O ATOM 842 CB LEU A 55 -10.609 -1.621 -6.696 1.00 44.33 C ATOM 843 CG LEU A 55 -10.387 -2.566 -5.499 1.00 42.54 C ATOM 844 CD1 LEU A 55 -11.660 -3.364 -5.238 1.00 53.14 C ATOM 845 CD2 LEU A 55 -9.260 -3.586 -5.593 1.00 44.40 C ATOM 0 H LEU A 55 -10.955 0.863 -6.643 1.00 75.10 H new ATOM 0 HA LEU A 55 -8.782 -0.590 -6.033 1.00 74.00 H new ATOM 0 HB2 LEU A 55 -11.547 -1.084 -6.557 1.00 44.33 H new ATOM 0 HB3 LEU A 55 -10.713 -2.214 -7.605 1.00 44.33 H new ATOM 0 HG LEU A 55 -10.103 -1.876 -4.705 1.00 42.54 H new ATOM 0 HD11 LEU A 55 -11.503 -4.032 -4.391 1.00 53.14 H new ATOM 0 HD12 LEU A 55 -12.479 -2.680 -5.014 1.00 53.14 H new ATOM 0 HD13 LEU A 55 -11.909 -3.951 -6.122 1.00 53.14 H new ATOM 0 HD21 LEU A 55 -9.227 -4.177 -4.678 1.00 44.40 H new ATOM 0 HD22 LEU A 55 -9.435 -4.244 -6.444 1.00 44.40 H new ATOM 0 HD23 LEU A 55 -8.310 -3.068 -5.724 1.00 44.40 H new ATOM 857 N ASN A 56 -8.985 -0.519 -9.289 1.00 71.22 N ATOM 858 CA ASN A 56 -8.372 -0.917 -10.550 1.00 44.54 C ATOM 859 C ASN A 56 -6.981 -0.295 -10.755 1.00 32.33 C ATOM 860 O ASN A 56 -6.344 -0.635 -11.754 1.00 32.21 O ATOM 861 CB ASN A 56 -9.324 -0.591 -11.718 1.00 12.52 C ATOM 862 CG ASN A 56 -10.559 -1.487 -11.689 1.00 40.24 C ATOM 863 OD1 ASN A 56 -10.635 -2.495 -12.386 1.00 51.41 O ATOM 864 ND2 ASN A 56 -11.537 -1.191 -10.845 1.00 22.05 N ATOM 0 H ASN A 56 -9.709 0.192 -9.396 1.00 71.22 H new ATOM 0 HA ASN A 56 -8.210 -1.995 -10.519 1.00 44.54 H new ATOM 0 HB2 ASN A 56 -9.628 0.454 -11.662 1.00 12.52 H new ATOM 0 HB3 ASN A 56 -8.800 -0.720 -12.665 1.00 12.52 H new ATOM 0 HD21 ASN A 56 -12.352 -1.800 -10.775 1.00 22.05 H new ATOM 0 HD22 ASN A 56 -11.475 -0.354 -10.266 1.00 22.05 H new ATOM 871 N VAL A 57 -6.523 0.590 -9.859 1.00 61.03 N ATOM 872 CA VAL A 57 -5.260 1.334 -9.898 1.00 62.22 C ATOM 873 C VAL A 57 -4.063 0.414 -10.086 1.00 4.54 C ATOM 874 O VAL A 57 -4.133 -0.793 -9.832 1.00 2.43 O ATOM 875 CB VAL A 57 -5.150 2.222 -8.627 1.00 43.41 C ATOM 876 CG1 VAL A 57 -5.038 1.421 -7.328 1.00 21.32 C ATOM 877 CG2 VAL A 57 -4.017 3.260 -8.670 1.00 71.43 C ATOM 0 H VAL A 57 -7.067 0.820 -9.027 1.00 61.03 H new ATOM 0 HA VAL A 57 -5.255 1.988 -10.770 1.00 62.22 H new ATOM 0 HB VAL A 57 -6.098 2.760 -8.631 1.00 43.41 H new ATOM 0 HG11 VAL A 57 -4.965 2.106 -6.483 1.00 21.32 H new ATOM 0 HG12 VAL A 57 -5.921 0.793 -7.210 1.00 21.32 H new ATOM 0 HG13 VAL A 57 -4.148 0.793 -7.364 1.00 21.32 H new ATOM 0 HG21 VAL A 57 -4.014 3.834 -7.744 1.00 71.43 H new ATOM 0 HG22 VAL A 57 -3.060 2.750 -8.783 1.00 71.43 H new ATOM 0 HG23 VAL A 57 -4.172 3.933 -9.514 1.00 71.43 H new ATOM 887 N GLY A 58 -2.926 0.992 -10.466 1.00 43.23 N ATOM 888 CA GLY A 58 -1.686 0.266 -10.477 1.00 71.10 C ATOM 889 C GLY A 58 -0.492 1.161 -10.226 1.00 33.13 C ATOM 890 O GLY A 58 -0.622 2.305 -9.789 1.00 60.13 O ATOM 0 H GLY A 58 -2.851 1.963 -10.769 1.00 43.23 H new ATOM 0 HA2 GLY A 58 -1.718 -0.514 -9.717 1.00 71.10 H new ATOM 0 HA3 GLY A 58 -1.568 -0.232 -11.440 1.00 71.10 H new ATOM 894 N LEU A 59 0.685 0.579 -10.422 1.00 24.15 N ATOM 895 CA LEU A 59 1.966 1.205 -10.185 1.00 44.50 C ATOM 896 C LEU A 59 2.533 1.742 -11.488 1.00 22.44 C ATOM 897 O LEU A 59 2.349 1.141 -12.550 1.00 61.33 O ATOM 898 CB LEU A 59 2.904 0.152 -9.569 1.00 31.03 C ATOM 899 CG LEU A 59 3.456 0.520 -8.193 1.00 1.32 C ATOM 900 CD1 LEU A 59 4.471 1.644 -8.335 1.00 63.14 C ATOM 901 CD2 LEU A 59 2.367 0.835 -7.160 1.00 53.20 C ATOM 0 H LEU A 59 0.769 -0.378 -10.763 1.00 24.15 H new ATOM 0 HA LEU A 59 1.860 2.047 -9.500 1.00 44.50 H new ATOM 0 HB2 LEU A 59 2.366 -0.793 -9.489 1.00 31.03 H new ATOM 0 HB3 LEU A 59 3.740 -0.013 -10.249 1.00 31.03 H new ATOM 0 HG LEU A 59 3.961 -0.359 -7.792 1.00 1.32 H new ATOM 0 HD11 LEU A 59 4.864 1.906 -7.353 1.00 63.14 H new ATOM 0 HD12 LEU A 59 5.288 1.317 -8.978 1.00 63.14 H new ATOM 0 HD13 LEU A 59 3.989 2.516 -8.777 1.00 63.14 H new ATOM 0 HD21 LEU A 59 2.832 1.088 -6.207 1.00 53.20 H new ATOM 0 HD22 LEU A 59 1.769 1.678 -7.507 1.00 53.20 H new ATOM 0 HD23 LEU A 59 1.725 -0.036 -7.031 1.00 53.20 H new ATOM 913 N VAL A 60 3.269 2.842 -11.369 1.00 73.31 N ATOM 914 CA VAL A 60 3.823 3.590 -12.486 1.00 44.44 C ATOM 915 C VAL A 60 5.319 3.822 -12.316 1.00 40.10 C ATOM 916 O VAL A 60 6.046 3.852 -13.306 1.00 53.43 O ATOM 917 CB VAL A 60 3.061 4.910 -12.683 1.00 34.41 C ATOM 918 CG1 VAL A 60 1.814 4.659 -13.538 1.00 21.15 C ATOM 919 CG2 VAL A 60 2.584 5.574 -11.399 1.00 51.12 C ATOM 0 H VAL A 60 3.502 3.248 -10.463 1.00 73.31 H new ATOM 0 HA VAL A 60 3.697 2.993 -13.389 1.00 44.44 H new ATOM 0 HB VAL A 60 3.781 5.579 -13.155 1.00 34.41 H new ATOM 0 HG11 VAL A 60 1.274 5.595 -13.677 1.00 21.15 H new ATOM 0 HG12 VAL A 60 2.112 4.264 -14.509 1.00 21.15 H new ATOM 0 HG13 VAL A 60 1.168 3.939 -13.036 1.00 21.15 H new ATOM 0 HG21 VAL A 60 2.058 6.498 -11.641 1.00 51.12 H new ATOM 0 HG22 VAL A 60 1.910 4.900 -10.870 1.00 51.12 H new ATOM 0 HG23 VAL A 60 3.442 5.800 -10.766 1.00 51.12 H new ATOM 929 N GLY A 61 5.803 3.902 -11.081 1.00 72.24 N ATOM 930 CA GLY A 61 7.233 3.860 -10.812 1.00 40.44 C ATOM 931 C GLY A 61 7.558 3.769 -9.331 1.00 21.23 C ATOM 932 O GLY A 61 6.721 4.042 -8.470 1.00 21.42 O ATOM 0 H GLY A 61 5.222 3.997 -10.248 1.00 72.24 H new ATOM 0 HA2 GLY A 61 7.669 3.004 -11.327 1.00 40.44 H new ATOM 0 HA3 GLY A 61 7.701 4.753 -11.226 1.00 40.44 H new ATOM 936 N VAL A 62 8.790 3.359 -9.050 1.00 11.24 N ATOM 937 CA VAL A 62 9.384 3.227 -7.733 1.00 23.22 C ATOM 938 C VAL A 62 10.869 3.513 -7.942 1.00 12.44 C ATOM 939 O VAL A 62 11.502 2.856 -8.774 1.00 20.35 O ATOM 940 CB VAL A 62 9.183 1.801 -7.168 1.00 41.34 C ATOM 941 CG1 VAL A 62 9.526 1.785 -5.681 1.00 60.44 C ATOM 942 CG2 VAL A 62 7.781 1.226 -7.358 1.00 31.22 C ATOM 0 H VAL A 62 9.441 3.093 -9.789 1.00 11.24 H new ATOM 0 HA VAL A 62 8.926 3.907 -7.015 1.00 23.22 H new ATOM 0 HB VAL A 62 9.854 1.164 -7.745 1.00 41.34 H new ATOM 0 HG11 VAL A 62 9.384 0.779 -5.286 1.00 60.44 H new ATOM 0 HG12 VAL A 62 10.565 2.085 -5.544 1.00 60.44 H new ATOM 0 HG13 VAL A 62 8.875 2.479 -5.150 1.00 60.44 H new ATOM 0 HG21 VAL A 62 7.737 0.224 -6.930 1.00 31.22 H new ATOM 0 HG22 VAL A 62 7.054 1.866 -6.858 1.00 31.22 H new ATOM 0 HG23 VAL A 62 7.549 1.177 -8.422 1.00 31.22 H new ATOM 952 N GLU A 63 11.440 4.472 -7.223 1.00 35.15 N ATOM 953 CA GLU A 63 12.877 4.706 -7.228 1.00 64.24 C ATOM 954 C GLU A 63 13.299 5.102 -5.819 1.00 71.52 C ATOM 955 O GLU A 63 12.503 5.709 -5.099 1.00 4.03 O ATOM 956 CB GLU A 63 13.272 5.824 -8.205 1.00 3.43 C ATOM 957 CG GLU A 63 12.951 5.492 -9.664 1.00 51.41 C ATOM 958 CD GLU A 63 13.720 6.397 -10.620 1.00 23.45 C ATOM 959 OE1 GLU A 63 13.366 7.587 -10.762 1.00 14.11 O ATOM 960 OE2 GLU A 63 14.697 5.908 -11.235 1.00 20.52 O ATOM 0 H GLU A 63 10.919 5.109 -6.620 1.00 35.15 H new ATOM 0 HA GLU A 63 13.377 3.793 -7.551 1.00 64.24 H new ATOM 0 HB2 GLU A 63 12.754 6.741 -7.926 1.00 3.43 H new ATOM 0 HB3 GLU A 63 14.340 6.020 -8.110 1.00 3.43 H new ATOM 0 HG2 GLU A 63 13.201 4.450 -9.866 1.00 51.41 H new ATOM 0 HG3 GLU A 63 11.881 5.602 -9.837 1.00 51.41 H new ATOM 967 N PRO A 64 14.546 4.817 -5.420 1.00 72.41 N ATOM 968 CA PRO A 64 15.055 5.184 -4.116 1.00 55.35 C ATOM 969 C PRO A 64 14.908 6.680 -3.883 1.00 62.14 C ATOM 970 O PRO A 64 15.071 7.476 -4.813 1.00 32.12 O ATOM 971 CB PRO A 64 16.527 4.755 -4.102 1.00 23.33 C ATOM 972 CG PRO A 64 16.883 4.621 -5.579 1.00 3.03 C ATOM 973 CD PRO A 64 15.571 4.145 -6.191 1.00 33.53 C ATOM 0 HA PRO A 64 14.500 4.696 -3.315 1.00 55.35 H new ATOM 0 HB2 PRO A 64 17.154 5.495 -3.605 1.00 23.33 H new ATOM 0 HB3 PRO A 64 16.664 3.813 -3.571 1.00 23.33 H new ATOM 0 HG2 PRO A 64 17.210 5.569 -6.006 1.00 3.03 H new ATOM 0 HG3 PRO A 64 17.689 3.905 -5.739 1.00 3.03 H new ATOM 0 HD2 PRO A 64 15.508 4.406 -7.247 1.00 33.53 H new ATOM 0 HD3 PRO A 64 15.472 3.062 -6.124 1.00 33.53 H new ATOM 981 N ALA A 65 14.704 7.063 -2.623 1.00 11.13 N ATOM 982 CA ALA A 65 14.911 8.437 -2.183 1.00 61.12 C ATOM 983 C ALA A 65 16.112 8.517 -1.246 1.00 55.03 C ATOM 984 O ALA A 65 16.249 9.440 -0.445 1.00 23.41 O ATOM 985 CB ALA A 65 13.614 8.991 -1.580 1.00 3.11 C ATOM 0 H ALA A 65 14.393 6.432 -1.885 1.00 11.13 H new ATOM 0 HA ALA A 65 15.152 9.075 -3.033 1.00 61.12 H new ATOM 0 HB1 ALA A 65 13.775 10.018 -1.253 1.00 3.11 H new ATOM 0 HB2 ALA A 65 12.825 8.969 -2.332 1.00 3.11 H new ATOM 0 HB3 ALA A 65 13.320 8.380 -0.727 1.00 3.11 H new ATOM 991 N GLY A 66 17.019 7.557 -1.369 1.00 54.12 N ATOM 992 CA GLY A 66 18.273 7.461 -0.647 1.00 0.44 C ATOM 993 C GLY A 66 18.283 6.250 0.275 1.00 43.05 C ATOM 994 O GLY A 66 17.978 5.127 -0.137 1.00 0.32 O ATOM 0 H GLY A 66 16.887 6.779 -2.016 1.00 54.12 H new ATOM 0 HA2 GLY A 66 19.099 7.390 -1.355 1.00 0.44 H new ATOM 0 HA3 GLY A 66 18.430 8.368 -0.063 1.00 0.44 H new ATOM 998 N GLN A 67 18.685 6.469 1.526 1.00 63.55 N ATOM 999 CA GLN A 67 19.285 5.422 2.345 1.00 52.41 C ATOM 1000 C GLN A 67 18.329 4.967 3.454 1.00 33.11 C ATOM 1001 O GLN A 67 18.692 4.097 4.244 1.00 50.43 O ATOM 1002 CB GLN A 67 20.642 5.920 2.888 1.00 50.02 C ATOM 1003 CG GLN A 67 21.567 6.375 1.748 1.00 23.33 C ATOM 1004 CD GLN A 67 22.956 6.778 2.231 1.00 12.13 C ATOM 1005 OE1 GLN A 67 23.833 5.943 2.458 1.00 2.33 O ATOM 1006 NE2 GLN A 67 23.211 8.065 2.361 1.00 30.33 N ATOM 0 H GLN A 67 18.604 7.371 1.996 1.00 63.55 H new ATOM 0 HA GLN A 67 19.471 4.538 1.735 1.00 52.41 H new ATOM 0 HB2 GLN A 67 20.478 6.747 3.578 1.00 50.02 H new ATOM 0 HB3 GLN A 67 21.124 5.123 3.454 1.00 50.02 H new ATOM 0 HG2 GLN A 67 21.661 5.569 1.021 1.00 23.33 H new ATOM 0 HG3 GLN A 67 21.109 7.219 1.231 1.00 23.33 H new ATOM 0 HE21 GLN A 67 22.481 8.751 2.172 1.00 30.33 H new ATOM 0 HE22 GLN A 67 24.139 8.374 2.651 1.00 30.33 H new ATOM 1015 N TYR A 68 17.112 5.520 3.529 1.00 42.14 N ATOM 1016 CA TYR A 68 16.211 5.338 4.673 1.00 32.13 C ATOM 1017 C TYR A 68 14.726 5.315 4.310 1.00 41.23 C ATOM 1018 O TYR A 68 13.929 4.763 5.076 1.00 23.31 O ATOM 1019 CB TYR A 68 16.450 6.433 5.714 1.00 4.30 C ATOM 1020 CG TYR A 68 16.637 7.843 5.195 1.00 24.42 C ATOM 1021 CD1 TYR A 68 17.883 8.206 4.660 1.00 74.24 C ATOM 1022 CD2 TYR A 68 15.600 8.795 5.260 1.00 5.13 C ATOM 1023 CE1 TYR A 68 18.098 9.484 4.135 1.00 61.15 C ATOM 1024 CE2 TYR A 68 15.836 10.118 4.826 1.00 30.55 C ATOM 1025 CZ TYR A 68 17.092 10.461 4.261 1.00 5.34 C ATOM 1026 OH TYR A 68 17.347 11.719 3.807 1.00 33.33 O ATOM 0 H TYR A 68 16.723 6.110 2.793 1.00 42.14 H new ATOM 0 HA TYR A 68 16.451 4.353 5.075 1.00 32.13 H new ATOM 0 HB2 TYR A 68 15.606 6.435 6.404 1.00 4.30 H new ATOM 0 HB3 TYR A 68 17.334 6.164 6.292 1.00 4.30 H new ATOM 0 HD1 TYR A 68 18.689 7.487 4.654 1.00 74.24 H new ATOM 0 HD2 TYR A 68 14.629 8.514 5.640 1.00 5.13 H new ATOM 0 HE1 TYR A 68 19.027 9.720 3.637 1.00 61.15 H new ATOM 0 HE2 TYR A 68 15.063 10.866 4.924 1.00 30.55 H new ATOM 0 HH TYR A 68 16.563 12.287 3.958 1.00 33.33 H new ATOM 1036 N ALA A 69 14.361 5.867 3.156 1.00 21.45 N ATOM 1037 CA ALA A 69 12.999 5.986 2.677 1.00 3.12 C ATOM 1038 C ALA A 69 12.995 5.826 1.162 1.00 10.12 C ATOM 1039 O ALA A 69 14.015 6.084 0.512 1.00 42.13 O ATOM 1040 CB ALA A 69 12.450 7.364 3.064 1.00 25.53 C ATOM 0 H ALA A 69 15.041 6.259 2.505 1.00 21.45 H new ATOM 0 HA ALA A 69 12.371 5.215 3.123 1.00 3.12 H new ATOM 0 HB1 ALA A 69 11.425 7.461 2.707 1.00 25.53 H new ATOM 0 HB2 ALA A 69 12.468 7.471 4.149 1.00 25.53 H new ATOM 0 HB3 ALA A 69 13.067 8.141 2.612 1.00 25.53 H new ATOM 1046 N LEU A 70 11.846 5.462 0.606 1.00 11.21 N ATOM 1047 CA LEU A 70 11.629 5.066 -0.778 1.00 11.21 C ATOM 1048 C LEU A 70 10.591 6.002 -1.397 1.00 0.12 C ATOM 1049 O LEU A 70 9.545 6.255 -0.786 1.00 23.14 O ATOM 1050 CB LEU A 70 11.146 3.602 -0.763 1.00 20.54 C ATOM 1051 CG LEU A 70 10.877 2.948 -2.128 1.00 40.41 C ATOM 1052 CD1 LEU A 70 12.036 3.189 -3.079 1.00 21.22 C ATOM 1053 CD2 LEU A 70 10.696 1.433 -2.020 1.00 64.24 C ATOM 0 H LEU A 70 10.983 5.434 1.148 1.00 11.21 H new ATOM 0 HA LEU A 70 12.537 5.136 -1.376 1.00 11.21 H new ATOM 0 HB2 LEU A 70 11.892 3.003 -0.240 1.00 20.54 H new ATOM 0 HB3 LEU A 70 10.229 3.553 -0.176 1.00 20.54 H new ATOM 0 HG LEU A 70 9.959 3.403 -2.500 1.00 40.41 H new ATOM 0 HD11 LEU A 70 11.824 2.717 -4.038 1.00 21.22 H new ATOM 0 HD12 LEU A 70 12.171 4.261 -3.224 1.00 21.22 H new ATOM 0 HD13 LEU A 70 12.947 2.762 -2.658 1.00 21.22 H new ATOM 0 HD21 LEU A 70 10.508 1.017 -3.010 1.00 64.24 H new ATOM 0 HD22 LEU A 70 11.600 0.987 -1.605 1.00 64.24 H new ATOM 0 HD23 LEU A 70 9.851 1.213 -1.368 1.00 64.24 H new ATOM 1065 N LYS A 71 10.879 6.531 -2.593 1.00 15.05 N ATOM 1066 CA LYS A 71 9.881 7.234 -3.387 1.00 71.50 C ATOM 1067 C LYS A 71 8.965 6.172 -3.985 1.00 21.53 C ATOM 1068 O LYS A 71 9.422 5.089 -4.358 1.00 61.12 O ATOM 1069 CB LYS A 71 10.553 8.034 -4.521 1.00 54.31 C ATOM 1070 CG LYS A 71 9.781 9.328 -4.851 1.00 61.51 C ATOM 1071 CD LYS A 71 10.240 10.442 -3.899 1.00 62.52 C ATOM 1072 CE LYS A 71 9.194 11.543 -3.666 1.00 51.32 C ATOM 1073 NZ LYS A 71 9.117 12.533 -4.758 1.00 1.43 N ATOM 0 H LYS A 71 11.801 6.481 -3.027 1.00 15.05 H new ATOM 0 HA LYS A 71 9.326 7.938 -2.766 1.00 71.50 H new ATOM 0 HB2 LYS A 71 11.574 8.284 -4.232 1.00 54.31 H new ATOM 0 HB3 LYS A 71 10.618 7.413 -5.414 1.00 54.31 H new ATOM 0 HG2 LYS A 71 9.961 9.620 -5.886 1.00 61.51 H new ATOM 0 HG3 LYS A 71 8.709 9.163 -4.748 1.00 61.51 H new ATOM 0 HD2 LYS A 71 10.504 9.998 -2.939 1.00 62.52 H new ATOM 0 HD3 LYS A 71 11.146 10.896 -4.300 1.00 62.52 H new ATOM 0 HE2 LYS A 71 8.215 11.080 -3.538 1.00 51.32 H new ATOM 0 HE3 LYS A 71 9.426 12.060 -2.735 1.00 51.32 H new ATOM 0 HZ1 LYS A 71 8.392 13.243 -4.532 1.00 1.43 H new ATOM 0 HZ2 LYS A 71 10.039 13.002 -4.867 1.00 1.43 H new ATOM 0 HZ3 LYS A 71 8.866 12.052 -5.645 1.00 1.43 H new ATOM 1087 N LEU A 72 7.686 6.487 -4.128 1.00 14.15 N ATOM 1088 CA LEU A 72 6.710 5.639 -4.790 1.00 53.12 C ATOM 1089 C LEU A 72 5.876 6.537 -5.691 1.00 22.25 C ATOM 1090 O LEU A 72 5.965 7.762 -5.612 1.00 35.34 O ATOM 1091 CB LEU A 72 5.893 4.852 -3.737 1.00 13.21 C ATOM 1092 CG LEU A 72 6.426 3.409 -3.653 1.00 60.14 C ATOM 1093 CD1 LEU A 72 6.361 2.778 -2.266 1.00 55.42 C ATOM 1094 CD2 LEU A 72 5.693 2.516 -4.654 1.00 52.03 C ATOM 0 H LEU A 72 7.291 7.360 -3.778 1.00 14.15 H new ATOM 0 HA LEU A 72 7.174 4.875 -5.414 1.00 53.12 H new ATOM 0 HB2 LEU A 72 5.969 5.337 -2.764 1.00 13.21 H new ATOM 0 HB3 LEU A 72 4.837 4.847 -4.009 1.00 13.21 H new ATOM 0 HG LEU A 72 7.486 3.484 -3.897 1.00 60.14 H new ATOM 0 HD11 LEU A 72 6.758 1.764 -2.309 1.00 55.42 H new ATOM 0 HD12 LEU A 72 6.953 3.370 -1.569 1.00 55.42 H new ATOM 0 HD13 LEU A 72 5.325 2.748 -1.928 1.00 55.42 H new ATOM 0 HD21 LEU A 72 6.079 1.499 -4.585 1.00 52.03 H new ATOM 0 HD22 LEU A 72 4.627 2.516 -4.428 1.00 52.03 H new ATOM 0 HD23 LEU A 72 5.850 2.896 -5.664 1.00 52.03 H new ATOM 1106 N SER A 73 5.147 5.940 -6.626 1.00 33.15 N ATOM 1107 CA SER A 73 4.355 6.648 -7.613 1.00 54.03 C ATOM 1108 C SER A 73 3.217 5.709 -7.976 1.00 52.14 C ATOM 1109 O SER A 73 3.428 4.714 -8.671 1.00 4.44 O ATOM 1110 CB SER A 73 5.218 7.010 -8.831 1.00 75.21 C ATOM 1111 OG SER A 73 6.382 7.701 -8.409 1.00 54.22 O ATOM 0 H SER A 73 5.092 4.926 -6.718 1.00 33.15 H new ATOM 0 HA SER A 73 3.966 7.592 -7.232 1.00 54.03 H new ATOM 0 HB2 SER A 73 5.497 6.106 -9.372 1.00 75.21 H new ATOM 0 HB3 SER A 73 4.646 7.630 -9.521 1.00 75.21 H new ATOM 0 HG SER A 73 6.929 7.928 -9.190 1.00 54.22 H new ATOM 1117 N PHE A 74 2.038 5.945 -7.415 1.00 64.34 N ATOM 1118 CA PHE A 74 0.841 5.192 -7.745 1.00 31.11 C ATOM 1119 C PHE A 74 0.143 5.917 -8.884 1.00 40.53 C ATOM 1120 O PHE A 74 0.272 7.131 -9.017 1.00 21.31 O ATOM 1121 CB PHE A 74 -0.068 5.115 -6.508 1.00 60.20 C ATOM 1122 CG PHE A 74 0.624 4.566 -5.274 1.00 31.33 C ATOM 1123 CD1 PHE A 74 0.801 3.179 -5.132 1.00 71.30 C ATOM 1124 CD2 PHE A 74 1.143 5.438 -4.297 1.00 11.35 C ATOM 1125 CE1 PHE A 74 1.497 2.669 -4.027 1.00 35.21 C ATOM 1126 CE2 PHE A 74 1.817 4.920 -3.178 1.00 75.13 C ATOM 1127 CZ PHE A 74 1.998 3.535 -3.044 1.00 32.54 C ATOM 0 H PHE A 74 1.887 6.670 -6.714 1.00 64.34 H new ATOM 0 HA PHE A 74 1.085 4.174 -8.049 1.00 31.11 H new ATOM 0 HB2 PHE A 74 -0.450 6.112 -6.286 1.00 60.20 H new ATOM 0 HB3 PHE A 74 -0.929 4.488 -6.740 1.00 60.20 H new ATOM 0 HD1 PHE A 74 0.400 2.505 -5.875 1.00 71.30 H new ATOM 0 HD2 PHE A 74 1.023 6.506 -4.408 1.00 11.35 H new ATOM 0 HE1 PHE A 74 1.648 1.604 -3.932 1.00 35.21 H new ATOM 0 HE2 PHE A 74 2.196 5.589 -2.420 1.00 75.13 H new ATOM 0 HZ PHE A 74 2.521 3.137 -2.187 1.00 32.54 H new ATOM 1137 N ASP A 75 -0.654 5.198 -9.667 1.00 51.50 N ATOM 1138 CA ASP A 75 -1.480 5.760 -10.736 1.00 24.42 C ATOM 1139 C ASP A 75 -2.797 6.303 -10.161 1.00 53.41 C ATOM 1140 O ASP A 75 -3.881 6.139 -10.723 1.00 0.31 O ATOM 1141 CB ASP A 75 -1.690 4.725 -11.841 1.00 72.42 C ATOM 1142 CG ASP A 75 -2.269 5.346 -13.118 1.00 33.22 C ATOM 1143 OD1 ASP A 75 -1.923 6.509 -13.463 1.00 20.44 O ATOM 1144 OD2 ASP A 75 -3.016 4.621 -13.813 1.00 61.03 O ATOM 0 H ASP A 75 -0.748 4.186 -9.576 1.00 51.50 H new ATOM 0 HA ASP A 75 -0.966 6.606 -11.192 1.00 24.42 H new ATOM 0 HB2 ASP A 75 -0.739 4.245 -12.072 1.00 72.42 H new ATOM 0 HB3 ASP A 75 -2.362 3.945 -11.482 1.00 72.42 H new ATOM 1149 N ASP A 76 -2.706 6.869 -8.960 1.00 24.34 N ATOM 1150 CA ASP A 76 -3.789 7.437 -8.173 1.00 15.15 C ATOM 1151 C ASP A 76 -3.779 8.968 -8.208 1.00 33.22 C ATOM 1152 O ASP A 76 -4.799 9.565 -7.859 1.00 75.40 O ATOM 1153 CB ASP A 76 -3.722 6.925 -6.721 1.00 13.01 C ATOM 1154 CG ASP A 76 -3.192 7.987 -5.750 1.00 60.40 C ATOM 1155 OD1 ASP A 76 -1.965 8.226 -5.743 1.00 75.44 O ATOM 1156 OD2 ASP A 76 -4.014 8.579 -5.019 1.00 11.21 O ATOM 0 H ASP A 76 -1.809 6.946 -8.481 1.00 24.34 H new ATOM 0 HA ASP A 76 -4.728 7.110 -8.620 1.00 15.15 H new ATOM 0 HB2 ASP A 76 -4.716 6.610 -6.403 1.00 13.01 H new ATOM 0 HB3 ASP A 76 -3.080 6.045 -6.678 1.00 13.01 H new ATOM 1161 N GLY A 77 -2.671 9.599 -8.612 1.00 54.52 N ATOM 1162 CA GLY A 77 -2.565 11.055 -8.737 1.00 60.02 C ATOM 1163 C GLY A 77 -2.307 11.802 -7.423 1.00 74.24 C ATOM 1164 O GLY A 77 -2.266 13.038 -7.414 1.00 71.12 O ATOM 0 H GLY A 77 -1.814 9.107 -8.864 1.00 54.52 H new ATOM 0 HA2 GLY A 77 -1.759 11.287 -9.433 1.00 60.02 H new ATOM 0 HA3 GLY A 77 -3.487 11.435 -9.178 1.00 60.02 H new ATOM 1168 N HIS A 78 -2.156 11.086 -6.307 1.00 14.13 N ATOM 1169 CA HIS A 78 -1.573 11.639 -5.083 1.00 20.53 C ATOM 1170 C HIS A 78 -0.094 11.268 -4.995 1.00 72.14 C ATOM 1171 O HIS A 78 0.714 12.034 -4.473 1.00 22.34 O ATOM 1172 CB HIS A 78 -2.389 11.209 -3.856 1.00 71.22 C ATOM 1173 CG HIS A 78 -2.078 11.930 -2.563 1.00 41.44 C ATOM 1174 ND1 HIS A 78 -2.581 11.600 -1.323 1.00 44.42 N ATOM 1175 CD2 HIS A 78 -1.314 13.057 -2.405 1.00 40.33 C ATOM 1176 CE1 HIS A 78 -2.096 12.476 -0.433 1.00 11.03 C ATOM 1177 NE2 HIS A 78 -1.317 13.382 -1.044 1.00 53.11 N ATOM 0 H HIS A 78 -2.434 10.108 -6.226 1.00 14.13 H new ATOM 0 HA HIS A 78 -1.620 12.728 -5.108 1.00 20.53 H new ATOM 0 HB2 HIS A 78 -3.446 11.349 -4.081 1.00 71.22 H new ATOM 0 HB3 HIS A 78 -2.235 10.141 -3.699 1.00 71.22 H new ATOM 0 HD2 HIS A 78 -0.803 13.596 -3.189 1.00 40.33 H new ATOM 0 HE1 HIS A 78 -2.303 12.456 0.627 1.00 11.03 H new ATOM 0 HE2 HIS A 78 -0.823 14.157 -0.602 1.00 53.11 H new ATOM 1185 N ASP A 79 0.266 10.141 -5.603 1.00 44.42 N ATOM 1186 CA ASP A 79 1.624 9.775 -6.016 1.00 13.22 C ATOM 1187 C ASP A 79 2.595 9.692 -4.826 1.00 41.41 C ATOM 1188 O ASP A 79 3.792 9.913 -4.980 1.00 42.32 O ATOM 1189 CB ASP A 79 2.149 10.710 -7.132 1.00 35.33 C ATOM 1190 CG ASP A 79 1.158 11.023 -8.256 1.00 72.31 C ATOM 1191 OD1 ASP A 79 0.519 10.090 -8.793 1.00 63.24 O ATOM 1192 OD2 ASP A 79 1.050 12.204 -8.651 1.00 41.22 O ATOM 0 H ASP A 79 -0.415 9.418 -5.835 1.00 44.42 H new ATOM 0 HA ASP A 79 1.569 8.771 -6.436 1.00 13.22 H new ATOM 0 HB2 ASP A 79 2.462 11.649 -6.676 1.00 35.33 H new ATOM 0 HB3 ASP A 79 3.038 10.257 -7.572 1.00 35.33 H new ATOM 1197 N SER A 80 2.076 9.421 -3.626 1.00 35.14 N ATOM 1198 CA SER A 80 2.802 9.422 -2.362 1.00 12.32 C ATOM 1199 C SER A 80 4.101 8.600 -2.387 1.00 61.22 C ATOM 1200 O SER A 80 4.091 7.426 -2.766 1.00 4.42 O ATOM 1201 CB SER A 80 1.898 8.799 -1.302 1.00 73.53 C ATOM 1202 OG SER A 80 0.709 9.522 -1.021 1.00 32.25 O ATOM 0 H SER A 80 1.091 9.184 -3.508 1.00 35.14 H new ATOM 0 HA SER A 80 3.071 10.458 -2.155 1.00 12.32 H new ATOM 0 HB2 SER A 80 1.626 7.794 -1.625 1.00 73.53 H new ATOM 0 HB3 SER A 80 2.467 8.694 -0.378 1.00 73.53 H new ATOM 0 HG SER A 80 0.528 9.493 -0.058 1.00 32.25 H new ATOM 1208 N GLY A 81 5.179 9.184 -1.856 1.00 54.02 N ATOM 1209 CA GLY A 81 6.384 8.492 -1.430 1.00 24.24 C ATOM 1210 C GLY A 81 6.436 8.416 0.095 1.00 5.11 C ATOM 1211 O GLY A 81 5.423 8.183 0.752 1.00 72.21 O ATOM 0 H GLY A 81 5.231 10.192 -1.708 1.00 54.02 H new ATOM 0 HA2 GLY A 81 6.404 7.487 -1.853 1.00 24.24 H new ATOM 0 HA3 GLY A 81 7.264 9.014 -1.806 1.00 24.24 H new ATOM 1215 N LEU A 82 7.634 8.616 0.649 1.00 21.42 N ATOM 1216 CA LEU A 82 7.960 8.758 2.072 1.00 54.31 C ATOM 1217 C LEU A 82 7.664 7.498 2.894 1.00 5.13 C ATOM 1218 O LEU A 82 7.333 7.543 4.082 1.00 53.23 O ATOM 1219 CB LEU A 82 7.394 10.098 2.601 1.00 31.14 C ATOM 1220 CG LEU A 82 7.736 10.525 4.048 1.00 21.42 C ATOM 1221 CD1 LEU A 82 9.218 10.379 4.421 1.00 23.12 C ATOM 1222 CD2 LEU A 82 7.341 11.992 4.254 1.00 14.33 C ATOM 0 H LEU A 82 8.469 8.689 0.068 1.00 21.42 H new ATOM 0 HA LEU A 82 9.040 8.831 2.200 1.00 54.31 H new ATOM 0 HB2 LEU A 82 7.735 10.889 1.933 1.00 31.14 H new ATOM 0 HB3 LEU A 82 6.308 10.056 2.516 1.00 31.14 H new ATOM 0 HG LEU A 82 7.174 9.849 4.692 1.00 21.42 H new ATOM 0 HD11 LEU A 82 9.367 10.701 5.452 1.00 23.12 H new ATOM 0 HD12 LEU A 82 9.518 9.336 4.319 1.00 23.12 H new ATOM 0 HD13 LEU A 82 9.823 10.997 3.757 1.00 23.12 H new ATOM 0 HD21 LEU A 82 7.582 12.294 5.273 1.00 14.33 H new ATOM 0 HD22 LEU A 82 7.890 12.619 3.551 1.00 14.33 H new ATOM 0 HD23 LEU A 82 6.271 12.108 4.084 1.00 14.33 H new ATOM 1234 N PHE A 83 7.840 6.343 2.257 1.00 53.34 N ATOM 1235 CA PHE A 83 7.813 5.045 2.903 1.00 23.44 C ATOM 1236 C PHE A 83 9.190 4.737 3.486 1.00 32.12 C ATOM 1237 O PHE A 83 10.150 4.626 2.725 1.00 31.44 O ATOM 1238 CB PHE A 83 7.463 3.977 1.874 1.00 74.44 C ATOM 1239 CG PHE A 83 6.035 3.995 1.402 1.00 52.03 C ATOM 1240 CD1 PHE A 83 5.642 4.905 0.405 1.00 11.15 C ATOM 1241 CD2 PHE A 83 5.108 3.090 1.951 1.00 74.44 C ATOM 1242 CE1 PHE A 83 4.329 4.863 -0.090 1.00 43.02 C ATOM 1243 CE2 PHE A 83 3.788 3.078 1.480 1.00 1.22 C ATOM 1244 CZ PHE A 83 3.414 3.933 0.434 1.00 43.03 C ATOM 0 H PHE A 83 8.009 6.289 1.253 1.00 53.34 H new ATOM 0 HA PHE A 83 7.069 5.053 3.699 1.00 23.44 H new ATOM 0 HB2 PHE A 83 8.117 4.097 1.010 1.00 74.44 H new ATOM 0 HB3 PHE A 83 7.677 2.997 2.302 1.00 74.44 H new ATOM 0 HD1 PHE A 83 6.345 5.631 0.023 1.00 11.15 H new ATOM 0 HD2 PHE A 83 5.412 2.408 2.731 1.00 74.44 H new ATOM 0 HE1 PHE A 83 4.023 5.543 -0.871 1.00 43.02 H new ATOM 0 HE2 PHE A 83 3.061 2.412 1.922 1.00 1.22 H new ATOM 0 HZ PHE A 83 2.415 3.877 0.027 1.00 43.03 H new ATOM 1254 N THR A 84 9.302 4.590 4.805 1.00 43.12 N ATOM 1255 CA THR A 84 10.542 4.185 5.462 1.00 42.00 C ATOM 1256 C THR A 84 10.891 2.737 5.095 1.00 42.20 C ATOM 1257 O THR A 84 9.990 1.933 4.855 1.00 42.23 O ATOM 1258 CB THR A 84 10.366 4.312 6.987 1.00 61.51 C ATOM 1259 OG1 THR A 84 9.508 5.389 7.305 1.00 53.43 O ATOM 1260 CG2 THR A 84 11.708 4.536 7.682 1.00 30.32 C ATOM 0 H THR A 84 8.529 4.750 5.451 1.00 43.12 H new ATOM 0 HA THR A 84 11.355 4.830 5.129 1.00 42.00 H new ATOM 0 HB THR A 84 9.930 3.377 7.338 1.00 61.51 H new ATOM 0 HG1 THR A 84 9.408 5.451 8.278 1.00 53.43 H new ATOM 0 HG21 THR A 84 11.551 4.622 8.757 1.00 30.32 H new ATOM 0 HG22 THR A 84 12.369 3.693 7.478 1.00 30.32 H new ATOM 0 HG23 THR A 84 12.163 5.453 7.308 1.00 30.32 H new ATOM 1268 N TRP A 85 12.177 2.372 5.141 1.00 53.24 N ATOM 1269 CA TRP A 85 12.606 0.983 4.992 1.00 41.45 C ATOM 1270 C TRP A 85 11.954 0.056 6.011 1.00 51.04 C ATOM 1271 O TRP A 85 11.534 -1.046 5.649 1.00 1.22 O ATOM 1272 CB TRP A 85 14.138 0.881 5.057 1.00 74.13 C ATOM 1273 CG TRP A 85 14.847 1.373 3.836 1.00 63.32 C ATOM 1274 CD1 TRP A 85 15.983 2.098 3.840 1.00 21.30 C ATOM 1275 CD2 TRP A 85 14.547 1.111 2.427 1.00 21.24 C ATOM 1276 NE1 TRP A 85 16.336 2.412 2.543 1.00 21.20 N ATOM 1277 CE2 TRP A 85 15.505 1.797 1.624 1.00 42.31 C ATOM 1278 CE3 TRP A 85 13.594 0.325 1.742 1.00 51.22 C ATOM 1279 CZ2 TRP A 85 15.489 1.724 0.218 1.00 15.40 C ATOM 1280 CZ3 TRP A 85 13.576 0.243 0.340 1.00 15.11 C ATOM 1281 CH2 TRP A 85 14.527 0.928 -0.426 1.00 52.03 C ATOM 0 H TRP A 85 12.944 3.030 5.282 1.00 53.24 H new ATOM 0 HA TRP A 85 12.273 0.649 4.009 1.00 41.45 H new ATOM 0 HB2 TRP A 85 14.490 1.448 5.919 1.00 74.13 H new ATOM 0 HB3 TRP A 85 14.413 -0.160 5.226 1.00 74.13 H new ATOM 0 HD1 TRP A 85 16.533 2.389 4.723 1.00 21.30 H new ATOM 0 HE1 TRP A 85 17.114 3.022 2.293 1.00 21.20 H new ATOM 0 HE3 TRP A 85 12.860 -0.227 2.311 1.00 51.22 H new ATOM 0 HZ2 TRP A 85 16.213 2.277 -0.362 1.00 15.40 H new ATOM 0 HZ3 TRP A 85 12.822 -0.354 -0.152 1.00 15.11 H new ATOM 0 HH2 TRP A 85 14.521 0.845 -1.503 1.00 52.03 H new ATOM 1292 N ASP A 86 11.866 0.517 7.260 1.00 14.33 N ATOM 1293 CA ASP A 86 11.280 -0.245 8.358 1.00 43.43 C ATOM 1294 C ASP A 86 9.818 -0.547 8.054 1.00 23.41 C ATOM 1295 O ASP A 86 9.390 -1.702 8.048 1.00 5.13 O ATOM 1296 CB ASP A 86 11.457 0.510 9.683 1.00 71.12 C ATOM 1297 CG ASP A 86 11.924 -0.437 10.783 1.00 51.33 C ATOM 1298 OD1 ASP A 86 11.148 -1.294 11.251 1.00 33.54 O ATOM 1299 OD2 ASP A 86 13.106 -0.286 11.181 1.00 41.44 O ATOM 0 H ASP A 86 12.203 1.439 7.538 1.00 14.33 H new ATOM 0 HA ASP A 86 11.798 -1.199 8.462 1.00 43.43 H new ATOM 0 HB2 ASP A 86 12.182 1.314 9.556 1.00 71.12 H new ATOM 0 HB3 ASP A 86 10.514 0.974 9.972 1.00 71.12 H new ATOM 1304 N TYR A 87 9.085 0.527 7.764 1.00 22.22 N ATOM 1305 CA TYR A 87 7.673 0.587 7.432 1.00 5.21 C ATOM 1306 C TYR A 87 7.341 -0.322 6.243 1.00 10.12 C ATOM 1307 O TYR A 87 6.381 -1.081 6.294 1.00 41.31 O ATOM 1308 CB TYR A 87 7.351 2.067 7.162 1.00 12.43 C ATOM 1309 CG TYR A 87 5.896 2.420 6.955 1.00 11.11 C ATOM 1310 CD1 TYR A 87 4.968 2.167 7.982 1.00 51.43 C ATOM 1311 CD2 TYR A 87 5.479 3.029 5.754 1.00 71.14 C ATOM 1312 CE1 TYR A 87 3.615 2.501 7.803 1.00 25.42 C ATOM 1313 CE2 TYR A 87 4.126 3.364 5.565 1.00 31.13 C ATOM 1314 CZ TYR A 87 3.188 3.094 6.592 1.00 54.10 C ATOM 1315 OH TYR A 87 1.867 3.345 6.385 1.00 23.12 O ATOM 0 H TYR A 87 9.507 1.456 7.756 1.00 22.22 H new ATOM 0 HA TYR A 87 7.054 0.216 8.249 1.00 5.21 H new ATOM 0 HB2 TYR A 87 7.728 2.655 7.999 1.00 12.43 H new ATOM 0 HB3 TYR A 87 7.906 2.380 6.277 1.00 12.43 H new ATOM 0 HD1 TYR A 87 5.295 1.716 8.907 1.00 51.43 H new ATOM 0 HD2 TYR A 87 6.200 3.239 4.978 1.00 71.14 H new ATOM 0 HE1 TYR A 87 2.901 2.305 8.590 1.00 25.42 H new ATOM 0 HE2 TYR A 87 3.804 3.824 4.643 1.00 31.13 H new ATOM 0 HH TYR A 87 1.656 3.223 5.436 1.00 23.12 H new ATOM 1325 N LEU A 88 8.140 -0.297 5.174 1.00 73.31 N ATOM 1326 CA LEU A 88 7.907 -1.107 3.975 1.00 13.31 C ATOM 1327 C LEU A 88 7.871 -2.591 4.312 1.00 11.45 C ATOM 1328 O LEU A 88 6.918 -3.291 3.962 1.00 71.31 O ATOM 1329 CB LEU A 88 9.009 -0.852 2.937 1.00 53.13 C ATOM 1330 CG LEU A 88 8.784 0.455 2.177 1.00 3.33 C ATOM 1331 CD1 LEU A 88 10.094 1.016 1.636 1.00 23.15 C ATOM 1332 CD2 LEU A 88 7.799 0.281 1.014 1.00 1.12 C ATOM 0 H LEU A 88 8.972 0.289 5.115 1.00 73.31 H new ATOM 0 HA LEU A 88 6.940 -0.817 3.563 1.00 13.31 H new ATOM 0 HB2 LEU A 88 9.977 -0.820 3.436 1.00 53.13 H new ATOM 0 HB3 LEU A 88 9.042 -1.682 2.231 1.00 53.13 H new ATOM 0 HG LEU A 88 8.359 1.156 2.896 1.00 3.33 H new ATOM 0 HD11 LEU A 88 9.898 1.945 1.101 1.00 23.15 H new ATOM 0 HD12 LEU A 88 10.776 1.210 2.464 1.00 23.15 H new ATOM 0 HD13 LEU A 88 10.546 0.294 0.956 1.00 23.15 H new ATOM 0 HD21 LEU A 88 7.669 1.234 0.502 1.00 1.12 H new ATOM 0 HD22 LEU A 88 8.190 -0.457 0.313 1.00 1.12 H new ATOM 0 HD23 LEU A 88 6.837 -0.058 1.399 1.00 1.12 H new ATOM 1344 N TYR A 89 8.918 -3.084 4.968 1.00 64.13 N ATOM 1345 CA TYR A 89 9.021 -4.493 5.320 1.00 10.31 C ATOM 1346 C TYR A 89 7.993 -4.865 6.390 1.00 23.10 C ATOM 1347 O TYR A 89 7.493 -5.985 6.358 1.00 44.24 O ATOM 1348 CB TYR A 89 10.468 -4.828 5.711 1.00 63.24 C ATOM 1349 CG TYR A 89 11.269 -5.544 4.621 1.00 71.33 C ATOM 1350 CD1 TYR A 89 10.748 -6.594 3.831 1.00 13.40 C ATOM 1351 CD2 TYR A 89 12.581 -5.125 4.364 1.00 42.24 C ATOM 1352 CE1 TYR A 89 11.473 -7.072 2.736 1.00 64.42 C ATOM 1353 CE2 TYR A 89 13.329 -5.620 3.293 1.00 44.34 C ATOM 1354 CZ TYR A 89 12.770 -6.605 2.460 1.00 21.43 C ATOM 1355 OH TYR A 89 13.509 -7.164 1.467 1.00 51.45 O ATOM 0 H TYR A 89 9.713 -2.520 5.268 1.00 64.13 H new ATOM 0 HA TYR A 89 8.779 -5.109 4.454 1.00 10.31 H new ATOM 0 HB2 TYR A 89 10.983 -3.904 5.975 1.00 63.24 H new ATOM 0 HB3 TYR A 89 10.455 -5.453 6.604 1.00 63.24 H new ATOM 0 HD1 TYR A 89 9.789 -7.027 4.074 1.00 13.40 H new ATOM 0 HD2 TYR A 89 13.031 -4.392 5.018 1.00 42.24 H new ATOM 0 HE1 TYR A 89 11.028 -7.814 2.090 1.00 64.42 H new ATOM 0 HE2 TYR A 89 14.326 -5.250 3.107 1.00 44.34 H new ATOM 0 HH TYR A 89 13.555 -8.134 1.599 1.00 51.45 H new ATOM 1365 N GLU A 90 7.609 -3.932 7.265 1.00 2.35 N ATOM 1366 CA GLU A 90 6.545 -4.124 8.247 1.00 53.14 C ATOM 1367 C GLU A 90 5.245 -4.481 7.520 1.00 31.15 C ATOM 1368 O GLU A 90 4.683 -5.566 7.691 1.00 42.00 O ATOM 1369 CB GLU A 90 6.393 -2.835 9.089 1.00 2.35 C ATOM 1370 CG GLU A 90 5.634 -3.037 10.405 1.00 51.42 C ATOM 1371 CD GLU A 90 6.501 -3.662 11.497 1.00 12.03 C ATOM 1372 OE1 GLU A 90 7.494 -4.352 11.179 1.00 53.43 O ATOM 1373 OE2 GLU A 90 6.150 -3.522 12.696 1.00 44.02 O ATOM 0 H GLU A 90 8.037 -3.007 7.310 1.00 2.35 H new ATOM 0 HA GLU A 90 6.790 -4.944 8.922 1.00 53.14 H new ATOM 0 HB2 GLU A 90 7.384 -2.439 9.310 1.00 2.35 H new ATOM 0 HB3 GLU A 90 5.874 -2.083 8.494 1.00 2.35 H new ATOM 0 HG2 GLU A 90 5.256 -2.076 10.753 1.00 51.42 H new ATOM 0 HG3 GLU A 90 4.768 -3.674 10.226 1.00 51.42 H new ATOM 1380 N LEU A 91 4.802 -3.585 6.637 1.00 33.41 N ATOM 1381 CA LEU A 91 3.546 -3.727 5.913 1.00 61.41 C ATOM 1382 C LEU A 91 3.566 -4.968 5.010 1.00 32.15 C ATOM 1383 O LEU A 91 2.517 -5.566 4.778 1.00 74.32 O ATOM 1384 CB LEU A 91 3.272 -2.456 5.097 1.00 12.21 C ATOM 1385 CG LEU A 91 3.190 -1.155 5.933 1.00 14.45 C ATOM 1386 CD1 LEU A 91 3.328 0.074 5.040 1.00 43.10 C ATOM 1387 CD2 LEU A 91 1.940 -0.974 6.796 1.00 21.35 C ATOM 0 H LEU A 91 5.313 -2.733 6.405 1.00 33.41 H new ATOM 0 HA LEU A 91 2.740 -3.862 6.634 1.00 61.41 H new ATOM 0 HB2 LEU A 91 4.058 -2.343 4.351 1.00 12.21 H new ATOM 0 HB3 LEU A 91 2.335 -2.583 4.555 1.00 12.21 H new ATOM 0 HG LEU A 91 4.024 -1.259 6.627 1.00 14.45 H new ATOM 0 HD11 LEU A 91 3.267 0.975 5.650 1.00 43.10 H new ATOM 0 HD12 LEU A 91 4.290 0.046 4.529 1.00 43.10 H new ATOM 0 HD13 LEU A 91 2.525 0.080 4.303 1.00 43.10 H new ATOM 0 HD21 LEU A 91 2.002 -0.027 7.332 1.00 21.35 H new ATOM 0 HD22 LEU A 91 1.055 -0.974 6.159 1.00 21.35 H new ATOM 0 HD23 LEU A 91 1.871 -1.792 7.513 1.00 21.35 H new ATOM 1399 N ALA A 92 4.751 -5.387 4.546 1.00 62.52 N ATOM 1400 CA ALA A 92 4.939 -6.574 3.720 1.00 30.52 C ATOM 1401 C ALA A 92 4.415 -7.830 4.435 1.00 74.14 C ATOM 1402 O ALA A 92 3.729 -8.627 3.792 1.00 22.25 O ATOM 1403 CB ALA A 92 6.411 -6.727 3.325 1.00 74.54 C ATOM 0 H ALA A 92 5.622 -4.894 4.743 1.00 62.52 H new ATOM 0 HA ALA A 92 4.358 -6.452 2.806 1.00 30.52 H new ATOM 0 HB1 ALA A 92 6.532 -7.618 2.709 1.00 74.54 H new ATOM 0 HB2 ALA A 92 6.729 -5.850 2.761 1.00 74.54 H new ATOM 0 HB3 ALA A 92 7.021 -6.822 4.223 1.00 74.54 H new ATOM 1409 N THR A 93 4.710 -8.018 5.731 1.00 12.41 N ATOM 1410 CA THR A 93 4.245 -9.188 6.483 1.00 22.11 C ATOM 1411 C THR A 93 2.829 -8.923 7.018 1.00 45.30 C ATOM 1412 O THR A 93 1.957 -9.794 6.958 1.00 64.52 O ATOM 1413 CB THR A 93 5.286 -9.598 7.554 1.00 3.32 C ATOM 1414 OG1 THR A 93 4.847 -10.661 8.374 1.00 4.12 O ATOM 1415 CG2 THR A 93 5.718 -8.459 8.460 1.00 44.04 C ATOM 0 H THR A 93 5.272 -7.368 6.280 1.00 12.41 H new ATOM 0 HA THR A 93 4.161 -10.059 5.833 1.00 22.11 H new ATOM 0 HB THR A 93 6.141 -9.919 6.959 1.00 3.32 H new ATOM 0 HG1 THR A 93 5.543 -10.878 9.029 1.00 4.12 H new ATOM 0 HG21 THR A 93 6.447 -8.825 9.182 1.00 44.04 H new ATOM 0 HG22 THR A 93 6.167 -7.667 7.860 1.00 44.04 H new ATOM 0 HG23 THR A 93 4.850 -8.065 8.989 1.00 44.04 H new ATOM 1423 N ARG A 94 2.566 -7.694 7.478 1.00 24.44 N ATOM 1424 CA ARG A 94 1.328 -7.279 8.136 1.00 5.02 C ATOM 1425 C ARG A 94 0.153 -7.148 7.185 1.00 23.42 C ATOM 1426 O ARG A 94 -0.919 -6.752 7.634 1.00 33.35 O ATOM 1427 CB ARG A 94 1.602 -5.945 8.841 1.00 42.43 C ATOM 1428 CG ARG A 94 2.424 -6.154 10.113 1.00 44.00 C ATOM 1429 CD ARG A 94 1.511 -6.377 11.335 1.00 10.23 C ATOM 1430 NE ARG A 94 1.683 -7.716 11.910 1.00 21.52 N ATOM 1431 CZ ARG A 94 2.752 -8.144 12.592 1.00 52.04 C ATOM 1432 NH1 ARG A 94 3.714 -7.297 12.949 1.00 73.22 N ATOM 1433 NH2 ARG A 94 2.865 -9.427 12.910 1.00 73.43 N ATOM 0 H ARG A 94 3.240 -6.932 7.397 1.00 24.44 H new ATOM 0 HA ARG A 94 1.039 -8.053 8.847 1.00 5.02 H new ATOM 0 HB2 ARG A 94 2.135 -5.276 8.166 1.00 42.43 H new ATOM 0 HB3 ARG A 94 0.658 -5.461 9.090 1.00 42.43 H new ATOM 0 HG2 ARG A 94 3.083 -7.013 9.986 1.00 44.00 H new ATOM 0 HG3 ARG A 94 3.061 -5.286 10.285 1.00 44.00 H new ATOM 0 HD2 ARG A 94 1.730 -5.625 12.094 1.00 10.23 H new ATOM 0 HD3 ARG A 94 0.471 -6.239 11.041 1.00 10.23 H new ATOM 0 HE ARG A 94 0.920 -8.380 11.778 1.00 21.52 H new ATOM 0 HH11 ARG A 94 3.641 -6.310 12.703 1.00 73.22 H new ATOM 0 HH12 ARG A 94 4.524 -7.635 13.469 1.00 73.22 H new ATOM 0 HH21 ARG A 94 2.137 -10.087 12.635 1.00 73.43 H new ATOM 0 HH22 ARG A 94 3.680 -9.754 13.430 1.00 73.43 H new ATOM 1447 N LYS A 95 0.330 -7.413 5.889 1.00 44.33 N ATOM 1448 CA LYS A 95 -0.652 -7.126 4.851 1.00 10.24 C ATOM 1449 C LYS A 95 -2.050 -7.583 5.246 1.00 25.14 C ATOM 1450 O LYS A 95 -3.004 -6.825 5.102 1.00 32.35 O ATOM 1451 CB LYS A 95 -0.190 -7.768 3.538 1.00 64.52 C ATOM 1452 CG LYS A 95 -1.174 -7.529 2.384 1.00 33.44 C ATOM 1453 CD LYS A 95 -0.751 -8.221 1.087 1.00 73.40 C ATOM 1454 CE LYS A 95 -1.062 -9.715 1.072 1.00 23.55 C ATOM 1455 NZ LYS A 95 -2.522 -9.971 1.108 1.00 64.43 N ATOM 0 H LYS A 95 1.181 -7.843 5.528 1.00 44.33 H new ATOM 0 HA LYS A 95 -0.719 -6.047 4.715 1.00 10.24 H new ATOM 0 HB2 LYS A 95 0.787 -7.367 3.266 1.00 64.52 H new ATOM 0 HB3 LYS A 95 -0.064 -8.840 3.687 1.00 64.52 H new ATOM 0 HG2 LYS A 95 -2.161 -7.887 2.675 1.00 33.44 H new ATOM 0 HG3 LYS A 95 -1.263 -6.457 2.206 1.00 33.44 H new ATOM 0 HD2 LYS A 95 -1.255 -7.743 0.247 1.00 73.40 H new ATOM 0 HD3 LYS A 95 0.319 -8.078 0.939 1.00 73.40 H new ATOM 0 HE2 LYS A 95 -0.635 -10.167 0.177 1.00 23.55 H new ATOM 0 HE3 LYS A 95 -0.587 -10.194 1.928 1.00 23.55 H new ATOM 0 HZ1 LYS A 95 -2.712 -10.944 0.795 1.00 64.43 H new ATOM 0 HZ2 LYS A 95 -2.873 -9.845 2.079 1.00 64.43 H new ATOM 0 HZ3 LYS A 95 -3.007 -9.303 0.475 1.00 64.43 H new ATOM 1469 N ASP A 96 -2.157 -8.815 5.726 1.00 74.42 N ATOM 1470 CA ASP A 96 -3.408 -9.442 6.137 1.00 21.24 C ATOM 1471 C ASP A 96 -4.128 -8.693 7.273 1.00 52.10 C ATOM 1472 O ASP A 96 -5.360 -8.709 7.320 1.00 51.40 O ATOM 1473 CB ASP A 96 -3.102 -10.885 6.527 1.00 34.32 C ATOM 1474 CG ASP A 96 -4.356 -11.713 6.774 1.00 25.14 C ATOM 1475 OD1 ASP A 96 -5.000 -12.116 5.782 1.00 44.34 O ATOM 1476 OD2 ASP A 96 -4.574 -12.107 7.942 1.00 52.24 O ATOM 0 H ASP A 96 -1.349 -9.426 5.844 1.00 74.42 H new ATOM 0 HA ASP A 96 -4.104 -9.407 5.299 1.00 21.24 H new ATOM 0 HB2 ASP A 96 -2.514 -11.352 5.737 1.00 34.32 H new ATOM 0 HB3 ASP A 96 -2.487 -10.890 7.427 1.00 34.32 H new ATOM 1481 N GLN A 97 -3.391 -7.992 8.145 1.00 14.14 N ATOM 1482 CA GLN A 97 -3.928 -7.022 9.100 1.00 31.33 C ATOM 1483 C GLN A 97 -4.394 -5.783 8.342 1.00 72.23 C ATOM 1484 O GLN A 97 -5.592 -5.511 8.309 1.00 41.31 O ATOM 1485 CB GLN A 97 -2.894 -6.684 10.195 1.00 25.33 C ATOM 1486 CG GLN A 97 -3.484 -5.936 11.408 1.00 24.55 C ATOM 1487 CD GLN A 97 -3.518 -4.412 11.240 1.00 43.02 C ATOM 1488 OE1 GLN A 97 -2.483 -3.749 11.211 1.00 10.14 O ATOM 1489 NE2 GLN A 97 -4.697 -3.823 11.138 1.00 71.13 N ATOM 0 H GLN A 97 -2.377 -8.089 8.205 1.00 14.14 H new ATOM 0 HA GLN A 97 -4.786 -7.454 9.616 1.00 31.33 H new ATOM 0 HB2 GLN A 97 -2.432 -7.608 10.541 1.00 25.33 H new ATOM 0 HB3 GLN A 97 -2.102 -6.076 9.757 1.00 25.33 H new ATOM 0 HG2 GLN A 97 -4.498 -6.295 11.586 1.00 24.55 H new ATOM 0 HG3 GLN A 97 -2.898 -6.181 12.294 1.00 24.55 H new ATOM 0 HE21 GLN A 97 -5.550 -4.382 11.163 1.00 71.13 H new ATOM 0 HE22 GLN A 97 -4.754 -2.810 11.034 1.00 71.13 H new ATOM 1498 N LEU A 98 -3.458 -5.053 7.720 1.00 50.32 N ATOM 1499 CA LEU A 98 -3.719 -3.739 7.114 1.00 21.31 C ATOM 1500 C LEU A 98 -4.916 -3.793 6.175 1.00 21.54 C ATOM 1501 O LEU A 98 -5.755 -2.899 6.165 1.00 62.34 O ATOM 1502 CB LEU A 98 -2.534 -3.228 6.269 1.00 5.33 C ATOM 1503 CG LEU A 98 -1.236 -2.751 6.946 1.00 43.34 C ATOM 1504 CD1 LEU A 98 -1.314 -2.615 8.451 1.00 51.32 C ATOM 1505 CD2 LEU A 98 -0.045 -3.663 6.640 1.00 72.53 C ATOM 0 H LEU A 98 -2.490 -5.360 7.622 1.00 50.32 H new ATOM 0 HA LEU A 98 -3.897 -3.070 7.956 1.00 21.31 H new ATOM 0 HB2 LEU A 98 -2.262 -4.028 5.581 1.00 5.33 H new ATOM 0 HB3 LEU A 98 -2.904 -2.400 5.665 1.00 5.33 H new ATOM 0 HG LEU A 98 -1.094 -1.760 6.515 1.00 43.34 H new ATOM 0 HD11 LEU A 98 -0.353 -2.274 8.836 1.00 51.32 H new ATOM 0 HD12 LEU A 98 -2.086 -1.891 8.711 1.00 51.32 H new ATOM 0 HD13 LEU A 98 -1.559 -3.581 8.891 1.00 51.32 H new ATOM 0 HD21 LEU A 98 0.844 -3.281 7.142 1.00 72.53 H new ATOM 0 HD22 LEU A 98 -0.258 -4.671 6.996 1.00 72.53 H new ATOM 0 HD23 LEU A 98 0.128 -3.687 5.564 1.00 72.53 H new ATOM 1517 N TRP A 99 -4.973 -4.810 5.320 1.00 2.42 N ATOM 1518 CA TRP A 99 -6.001 -4.898 4.307 1.00 3.32 C ATOM 1519 C TRP A 99 -7.370 -5.090 4.946 1.00 63.40 C ATOM 1520 O TRP A 99 -8.320 -4.428 4.530 1.00 24.32 O ATOM 1521 CB TRP A 99 -5.663 -6.026 3.340 1.00 3.15 C ATOM 1522 CG TRP A 99 -6.605 -6.153 2.194 1.00 73.13 C ATOM 1523 CD1 TRP A 99 -7.429 -7.196 1.966 1.00 40.33 C ATOM 1524 CD2 TRP A 99 -6.854 -5.197 1.126 1.00 20.34 C ATOM 1525 NE1 TRP A 99 -8.113 -6.988 0.787 1.00 0.11 N ATOM 1526 CE2 TRP A 99 -7.773 -5.784 0.208 1.00 20.53 C ATOM 1527 CE3 TRP A 99 -6.395 -3.891 0.850 1.00 41.03 C ATOM 1528 CZ2 TRP A 99 -8.157 -5.141 -0.977 1.00 23.55 C ATOM 1529 CZ3 TRP A 99 -6.753 -3.252 -0.355 1.00 20.14 C ATOM 1530 CH2 TRP A 99 -7.612 -3.883 -1.274 1.00 31.44 C ATOM 0 H TRP A 99 -4.311 -5.586 5.315 1.00 2.42 H new ATOM 0 HA TRP A 99 -6.040 -3.965 3.745 1.00 3.32 H new ATOM 0 HB2 TRP A 99 -4.657 -5.867 2.952 1.00 3.15 H new ATOM 0 HB3 TRP A 99 -5.648 -6.967 3.889 1.00 3.15 H new ATOM 0 HD1 TRP A 99 -7.536 -8.059 2.607 1.00 40.33 H new ATOM 0 HE1 TRP A 99 -8.787 -7.644 0.392 1.00 0.11 H new ATOM 0 HE3 TRP A 99 -5.767 -3.379 1.564 1.00 41.03 H new ATOM 0 HZ2 TRP A 99 -8.861 -5.607 -1.651 1.00 23.55 H new ATOM 0 HZ3 TRP A 99 -6.364 -2.269 -0.575 1.00 20.14 H new ATOM 0 HH2 TRP A 99 -7.852 -3.398 -2.209 1.00 31.44 H new ATOM 1541 N ALA A 100 -7.466 -5.952 5.961 1.00 32.52 N ATOM 1542 CA ALA A 100 -8.694 -6.171 6.707 1.00 63.21 C ATOM 1543 C ALA A 100 -9.112 -4.906 7.462 1.00 44.42 C ATOM 1544 O ALA A 100 -10.313 -4.669 7.586 1.00 52.21 O ATOM 1545 CB ALA A 100 -8.484 -7.330 7.682 1.00 32.24 C ATOM 0 H ALA A 100 -6.683 -6.519 6.286 1.00 32.52 H new ATOM 0 HA ALA A 100 -9.495 -6.418 6.010 1.00 63.21 H new ATOM 0 HB1 ALA A 100 -9.401 -7.501 8.246 1.00 32.24 H new ATOM 0 HB2 ALA A 100 -8.226 -8.231 7.126 1.00 32.24 H new ATOM 0 HB3 ALA A 100 -7.675 -7.085 8.370 1.00 32.24 H new ATOM 1551 N ASP A 101 -8.143 -4.121 7.938 1.00 2.45 N ATOM 1552 CA ASP A 101 -8.322 -2.813 8.572 1.00 72.11 C ATOM 1553 C ASP A 101 -9.008 -1.886 7.568 1.00 5.12 C ATOM 1554 O ASP A 101 -10.131 -1.435 7.777 1.00 74.50 O ATOM 1555 CB ASP A 101 -6.942 -2.263 9.014 1.00 22.32 C ATOM 1556 CG ASP A 101 -6.880 -1.553 10.369 1.00 65.20 C ATOM 1557 OD1 ASP A 101 -7.871 -1.554 11.130 1.00 1.33 O ATOM 1558 OD2 ASP A 101 -5.763 -1.118 10.740 1.00 30.32 O ATOM 0 H ASP A 101 -7.162 -4.395 7.889 1.00 2.45 H new ATOM 0 HA ASP A 101 -8.946 -2.888 9.462 1.00 72.11 H new ATOM 0 HB2 ASP A 101 -6.237 -3.094 9.034 1.00 22.32 H new ATOM 0 HB3 ASP A 101 -6.594 -1.567 8.250 1.00 22.32 H new ATOM 1563 N TYR A 102 -8.369 -1.667 6.416 1.00 21.12 N ATOM 1564 CA TYR A 102 -8.837 -0.743 5.404 1.00 73.24 C ATOM 1565 C TYR A 102 -10.157 -1.183 4.764 1.00 62.51 C ATOM 1566 O TYR A 102 -10.951 -0.333 4.366 1.00 3.11 O ATOM 1567 CB TYR A 102 -7.736 -0.583 4.353 1.00 62.43 C ATOM 1568 CG TYR A 102 -6.641 0.389 4.758 1.00 44.14 C ATOM 1569 CD1 TYR A 102 -6.960 1.730 5.058 1.00 44.33 C ATOM 1570 CD2 TYR A 102 -5.316 -0.062 4.909 1.00 41.20 C ATOM 1571 CE1 TYR A 102 -5.963 2.614 5.509 1.00 13.11 C ATOM 1572 CE2 TYR A 102 -4.329 0.804 5.409 1.00 21.41 C ATOM 1573 CZ TYR A 102 -4.644 2.149 5.701 1.00 42.30 C ATOM 1574 OH TYR A 102 -3.664 2.983 6.148 1.00 45.20 O ATOM 0 H TYR A 102 -7.500 -2.138 6.165 1.00 21.12 H new ATOM 0 HA TYR A 102 -9.048 0.216 5.878 1.00 73.24 H new ATOM 0 HB2 TYR A 102 -7.290 -1.558 4.156 1.00 62.43 H new ATOM 0 HB3 TYR A 102 -8.184 -0.243 3.419 1.00 62.43 H new ATOM 0 HD1 TYR A 102 -7.975 2.080 4.941 1.00 44.33 H new ATOM 0 HD2 TYR A 102 -5.058 -1.076 4.640 1.00 41.20 H new ATOM 0 HE1 TYR A 102 -6.206 3.647 5.708 1.00 13.11 H new ATOM 0 HE2 TYR A 102 -3.325 0.439 5.571 1.00 21.41 H new ATOM 0 HH TYR A 102 -2.821 2.488 6.221 1.00 45.20 H new ATOM 1584 N LEU A 103 -10.390 -2.489 4.596 1.00 13.25 N ATOM 1585 CA LEU A 103 -11.684 -3.004 4.156 1.00 2.23 C ATOM 1586 C LEU A 103 -12.769 -2.643 5.164 1.00 24.43 C ATOM 1587 O LEU A 103 -13.834 -2.180 4.753 1.00 5.43 O ATOM 1588 CB LEU A 103 -11.675 -4.531 4.004 1.00 42.13 C ATOM 1589 CG LEU A 103 -10.950 -5.059 2.755 1.00 1.01 C ATOM 1590 CD1 LEU A 103 -10.815 -6.573 2.890 1.00 25.52 C ATOM 1591 CD2 LEU A 103 -11.678 -4.715 1.455 1.00 11.25 C ATOM 0 H LEU A 103 -9.690 -3.212 4.761 1.00 13.25 H new ATOM 0 HA LEU A 103 -11.886 -2.549 3.187 1.00 2.23 H new ATOM 0 HB2 LEU A 103 -11.207 -4.966 4.887 1.00 42.13 H new ATOM 0 HB3 LEU A 103 -12.706 -4.884 3.983 1.00 42.13 H new ATOM 0 HG LEU A 103 -9.974 -4.577 2.698 1.00 1.01 H new ATOM 0 HD11 LEU A 103 -10.303 -6.972 2.014 1.00 25.52 H new ATOM 0 HD12 LEU A 103 -10.240 -6.809 3.786 1.00 25.52 H new ATOM 0 HD13 LEU A 103 -11.806 -7.021 2.967 1.00 25.52 H new ATOM 0 HD21 LEU A 103 -11.119 -5.114 0.608 1.00 11.25 H new ATOM 0 HD22 LEU A 103 -12.676 -5.153 1.470 1.00 11.25 H new ATOM 0 HD23 LEU A 103 -11.759 -3.632 1.359 1.00 11.25 H new ATOM 1603 N ALA A 104 -12.533 -2.892 6.457 1.00 3.03 N ATOM 1604 CA ALA A 104 -13.502 -2.585 7.499 1.00 34.51 C ATOM 1605 C ALA A 104 -13.814 -1.092 7.491 1.00 33.14 C ATOM 1606 O ALA A 104 -14.986 -0.720 7.513 1.00 2.12 O ATOM 1607 CB ALA A 104 -12.970 -3.026 8.860 1.00 11.32 C ATOM 0 H ALA A 104 -11.669 -3.309 6.803 1.00 3.03 H new ATOM 0 HA ALA A 104 -14.425 -3.131 7.305 1.00 34.51 H new ATOM 0 HB1 ALA A 104 -13.704 -2.791 9.631 1.00 11.32 H new ATOM 0 HB2 ALA A 104 -12.787 -4.101 8.848 1.00 11.32 H new ATOM 0 HB3 ALA A 104 -12.039 -2.502 9.074 1.00 11.32 H new ATOM 1613 N GLU A 105 -12.786 -0.252 7.353 1.00 42.34 N ATOM 1614 CA GLU A 105 -12.951 1.184 7.208 1.00 31.51 C ATOM 1615 C GLU A 105 -13.831 1.519 6.010 1.00 33.53 C ATOM 1616 O GLU A 105 -14.779 2.286 6.159 1.00 65.20 O ATOM 1617 CB GLU A 105 -11.592 1.867 7.104 1.00 70.34 C ATOM 1618 CG GLU A 105 -10.879 1.910 8.460 1.00 72.31 C ATOM 1619 CD GLU A 105 -10.852 3.338 9.003 1.00 3.04 C ATOM 1620 OE1 GLU A 105 -11.916 3.808 9.473 1.00 52.04 O ATOM 1621 OE2 GLU A 105 -9.803 4.013 8.865 1.00 14.02 O ATOM 0 H GLU A 105 -11.813 -0.557 7.339 1.00 42.34 H new ATOM 0 HA GLU A 105 -13.455 1.562 8.098 1.00 31.51 H new ATOM 0 HB2 GLU A 105 -10.971 1.336 6.382 1.00 70.34 H new ATOM 0 HB3 GLU A 105 -11.722 2.882 6.728 1.00 70.34 H new ATOM 0 HG2 GLU A 105 -11.389 1.255 9.167 1.00 72.31 H new ATOM 0 HG3 GLU A 105 -9.861 1.535 8.355 1.00 72.31 H new ATOM 1628 N LEU A 106 -13.556 0.928 4.842 1.00 41.14 N ATOM 1629 CA LEU A 106 -14.360 1.110 3.636 1.00 12.35 C ATOM 1630 C LEU A 106 -15.830 0.798 3.906 1.00 12.31 C ATOM 1631 O LEU A 106 -16.717 1.574 3.548 1.00 10.33 O ATOM 1632 CB LEU A 106 -13.819 0.244 2.470 1.00 10.05 C ATOM 1633 CG LEU A 106 -13.399 1.047 1.229 1.00 11.25 C ATOM 1634 CD1 LEU A 106 -14.540 1.944 0.780 1.00 74.12 C ATOM 1635 CD2 LEU A 106 -12.118 1.842 1.481 1.00 42.02 C ATOM 0 H LEU A 106 -12.760 0.304 4.710 1.00 41.14 H new ATOM 0 HA LEU A 106 -14.285 2.157 3.341 1.00 12.35 H new ATOM 0 HB2 LEU A 106 -12.962 -0.329 2.825 1.00 10.05 H new ATOM 0 HB3 LEU A 106 -14.585 -0.475 2.181 1.00 10.05 H new ATOM 0 HG LEU A 106 -13.177 0.347 0.423 1.00 11.25 H new ATOM 0 HD11 LEU A 106 -14.234 2.509 -0.100 1.00 74.12 H new ATOM 0 HD12 LEU A 106 -15.408 1.333 0.534 1.00 74.12 H new ATOM 0 HD13 LEU A 106 -14.798 2.634 1.583 1.00 74.12 H new ATOM 0 HD21 LEU A 106 -11.852 2.397 0.582 1.00 42.02 H new ATOM 0 HD22 LEU A 106 -12.278 2.539 2.304 1.00 42.02 H new ATOM 0 HD23 LEU A 106 -11.309 1.157 1.738 1.00 42.02 H new ATOM 1647 N ALA A 107 -16.070 -0.353 4.527 1.00 1.32 N ATOM 1648 CA ALA A 107 -17.386 -0.914 4.734 1.00 34.54 C ATOM 1649 C ALA A 107 -18.180 -0.098 5.764 1.00 61.13 C ATOM 1650 O ALA A 107 -19.368 0.156 5.547 1.00 42.22 O ATOM 1651 CB ALA A 107 -17.221 -2.385 5.139 1.00 21.12 C ATOM 0 H ALA A 107 -15.324 -0.934 4.910 1.00 1.32 H new ATOM 0 HA ALA A 107 -17.968 -0.869 3.814 1.00 34.54 H new ATOM 0 HB1 ALA A 107 -18.203 -2.830 5.301 1.00 21.12 H new ATOM 0 HB2 ALA A 107 -16.704 -2.925 4.346 1.00 21.12 H new ATOM 0 HB3 ALA A 107 -16.639 -2.446 6.058 1.00 21.12 H new ATOM 1657 N SER A 108 -17.531 0.316 6.858 1.00 45.34 N ATOM 1658 CA SER A 108 -18.102 1.139 7.919 1.00 10.25 C ATOM 1659 C SER A 108 -18.355 2.567 7.419 1.00 5.05 C ATOM 1660 O SER A 108 -19.425 3.115 7.668 1.00 32.43 O ATOM 1661 CB SER A 108 -17.164 1.116 9.138 1.00 24.43 C ATOM 1662 OG SER A 108 -17.715 1.828 10.234 1.00 43.03 O ATOM 0 H SER A 108 -16.555 0.075 7.031 1.00 45.34 H new ATOM 0 HA SER A 108 -19.068 0.733 8.220 1.00 10.25 H new ATOM 0 HB2 SER A 108 -16.974 0.084 9.432 1.00 24.43 H new ATOM 0 HB3 SER A 108 -16.203 1.552 8.866 1.00 24.43 H new ATOM 0 HG SER A 108 -17.095 1.793 10.992 1.00 43.03 H new ATOM 1668 N ALA A 109 -17.412 3.175 6.682 1.00 72.32 N ATOM 1669 CA ALA A 109 -17.630 4.483 6.066 1.00 45.44 C ATOM 1670 C ALA A 109 -18.749 4.414 5.018 1.00 72.33 C ATOM 1671 O ALA A 109 -19.360 5.438 4.698 1.00 70.50 O ATOM 1672 CB ALA A 109 -16.331 4.997 5.426 1.00 24.54 C ATOM 0 H ALA A 109 -16.491 2.776 6.501 1.00 72.32 H new ATOM 0 HA ALA A 109 -17.935 5.180 6.847 1.00 45.44 H new ATOM 0 HB1 ALA A 109 -16.510 5.972 4.972 1.00 24.54 H new ATOM 0 HB2 ALA A 109 -15.560 5.089 6.191 1.00 24.54 H new ATOM 0 HB3 ALA A 109 -16.000 4.295 4.660 1.00 24.54 H new ATOM 1678 N GLY A 110 -19.035 3.223 4.487 1.00 2.14 N ATOM 1679 CA GLY A 110 -20.071 2.986 3.504 1.00 12.01 C ATOM 1680 C GLY A 110 -19.696 3.615 2.174 1.00 14.11 C ATOM 1681 O GLY A 110 -20.485 4.377 1.620 1.00 30.33 O ATOM 0 H GLY A 110 -18.530 2.375 4.744 1.00 2.14 H new ATOM 0 HA2 GLY A 110 -20.221 1.914 3.376 1.00 12.01 H new ATOM 0 HA3 GLY A 110 -21.016 3.401 3.856 1.00 12.01 H new ATOM 1685 N LYS A 111 -18.486 3.354 1.684 1.00 70.32 N ATOM 1686 CA LYS A 111 -18.082 3.639 0.309 1.00 33.45 C ATOM 1687 C LYS A 111 -17.684 2.302 -0.312 1.00 73.54 C ATOM 1688 O LYS A 111 -17.852 1.249 0.310 1.00 23.34 O ATOM 1689 CB LYS A 111 -16.944 4.678 0.234 1.00 1.45 C ATOM 1690 CG LYS A 111 -17.085 5.910 1.140 1.00 45.00 C ATOM 1691 CD LYS A 111 -18.226 6.824 0.685 1.00 52.44 C ATOM 1692 CE LYS A 111 -18.297 8.030 1.621 1.00 34.25 C ATOM 1693 NZ LYS A 111 -19.662 8.587 1.711 1.00 63.54 N ATOM 0 H LYS A 111 -17.745 2.930 2.242 1.00 70.32 H new ATOM 0 HA LYS A 111 -18.905 4.092 -0.245 1.00 33.45 H new ATOM 0 HB2 LYS A 111 -16.008 4.178 0.481 1.00 1.45 H new ATOM 0 HB3 LYS A 111 -16.861 5.020 -0.798 1.00 1.45 H new ATOM 0 HG2 LYS A 111 -17.265 5.588 2.166 1.00 45.00 H new ATOM 0 HG3 LYS A 111 -16.150 6.469 1.141 1.00 45.00 H new ATOM 0 HD2 LYS A 111 -18.060 7.152 -0.341 1.00 52.44 H new ATOM 0 HD3 LYS A 111 -19.171 6.281 0.697 1.00 52.44 H new ATOM 0 HE2 LYS A 111 -17.960 7.736 2.615 1.00 34.25 H new ATOM 0 HE3 LYS A 111 -17.614 8.802 1.268 1.00 34.25 H new ATOM 0 HZ1 LYS A 111 -19.662 9.403 2.356 1.00 63.54 H new ATOM 0 HZ2 LYS A 111 -19.975 8.892 0.767 1.00 63.54 H new ATOM 0 HZ3 LYS A 111 -20.311 7.859 2.073 1.00 63.54 H new ATOM 1707 N SER A 112 -17.110 2.320 -1.513 1.00 63.31 N ATOM 1708 CA SER A 112 -16.552 1.123 -2.123 1.00 20.15 C ATOM 1709 C SER A 112 -15.218 1.436 -2.771 1.00 64.33 C ATOM 1710 O SER A 112 -14.977 2.553 -3.228 1.00 14.33 O ATOM 1711 CB SER A 112 -17.538 0.581 -3.147 1.00 61.50 C ATOM 1712 OG SER A 112 -18.774 0.248 -2.528 1.00 75.21 O ATOM 0 H SER A 112 -17.021 3.160 -2.084 1.00 63.31 H new ATOM 0 HA SER A 112 -16.382 0.366 -1.357 1.00 20.15 H new ATOM 0 HB2 SER A 112 -17.705 1.324 -3.927 1.00 61.50 H new ATOM 0 HB3 SER A 112 -17.119 -0.301 -3.631 1.00 61.50 H new ATOM 0 HG SER A 112 -19.395 -0.097 -3.203 1.00 75.21 H new ATOM 1718 N ARG A 113 -14.314 0.453 -2.762 1.00 63.14 N ATOM 1719 CA ARG A 113 -13.078 0.544 -3.526 1.00 12.23 C ATOM 1720 C ARG A 113 -13.380 0.401 -5.012 1.00 3.14 C ATOM 1721 O ARG A 113 -12.728 1.038 -5.837 1.00 72.44 O ATOM 1722 CB ARG A 113 -12.124 -0.590 -3.170 1.00 71.22 C ATOM 1723 CG ARG A 113 -11.713 -0.780 -1.713 1.00 53.04 C ATOM 1724 CD ARG A 113 -10.456 -1.667 -1.775 1.00 1.34 C ATOM 1725 NE ARG A 113 -9.997 -2.184 -0.486 1.00 24.22 N ATOM 1726 CZ ARG A 113 -9.514 -1.456 0.527 1.00 33.43 C ATOM 1727 NH1 ARG A 113 -9.436 -0.136 0.419 1.00 31.14 N ATOM 1728 NH2 ARG A 113 -9.093 -2.059 1.632 1.00 61.53 N ATOM 0 H ARG A 113 -14.419 -0.413 -2.233 1.00 63.14 H new ATOM 0 HA ARG A 113 -12.627 1.509 -3.293 1.00 12.23 H new ATOM 0 HB2 ARG A 113 -12.579 -1.521 -3.508 1.00 71.22 H new ATOM 0 HB3 ARG A 113 -11.214 -0.450 -3.753 1.00 71.22 H new ATOM 0 HG2 ARG A 113 -11.500 0.176 -1.234 1.00 53.04 H new ATOM 0 HG3 ARG A 113 -12.506 -1.256 -1.137 1.00 53.04 H new ATOM 0 HD2 ARG A 113 -10.657 -2.510 -2.436 1.00 1.34 H new ATOM 0 HD3 ARG A 113 -9.647 -1.093 -2.228 1.00 1.34 H new ATOM 0 HE ARG A 113 -10.050 -3.193 -0.347 1.00 24.22 H new ATOM 0 HH11 ARG A 113 -9.745 0.325 -0.437 1.00 31.14 H new ATOM 0 HH12 ARG A 113 -9.068 0.418 1.192 1.00 31.14 H new ATOM 0 HH21 ARG A 113 -9.138 -3.075 1.707 1.00 61.53 H new ATOM 0 HH22 ARG A 113 -8.724 -1.506 2.406 1.00 61.53 H new ATOM 1742 N ASP A 114 -14.281 -0.523 -5.346 1.00 44.33 N ATOM 1743 CA ASP A 114 -14.733 -0.764 -6.708 1.00 41.11 C ATOM 1744 C ASP A 114 -15.615 0.429 -7.076 1.00 42.43 C ATOM 1745 O ASP A 114 -16.312 0.959 -6.208 1.00 73.31 O ATOM 1746 CB ASP A 114 -15.522 -2.080 -6.788 1.00 64.32 C ATOM 1747 CG ASP A 114 -14.896 -3.111 -7.732 1.00 74.03 C ATOM 1748 OD1 ASP A 114 -14.012 -3.882 -7.291 1.00 54.53 O ATOM 1749 OD2 ASP A 114 -15.326 -3.241 -8.901 1.00 2.14 O ATOM 0 H ASP A 114 -14.723 -1.135 -4.660 1.00 44.33 H new ATOM 0 HA ASP A 114 -13.895 -0.860 -7.399 1.00 41.11 H new ATOM 0 HB2 ASP A 114 -15.596 -2.511 -5.790 1.00 64.32 H new ATOM 0 HB3 ASP A 114 -16.538 -1.866 -7.119 1.00 64.32 H new ATOM 1754 N PRO A 115 -15.637 0.843 -8.351 1.00 43.10 N ATOM 1755 CA PRO A 115 -16.279 2.091 -8.755 1.00 75.24 C ATOM 1756 C PRO A 115 -17.780 2.079 -8.469 1.00 11.31 C ATOM 1757 O PRO A 115 -18.314 3.032 -7.891 1.00 42.40 O ATOM 1758 CB PRO A 115 -15.942 2.266 -10.244 1.00 35.21 C ATOM 1759 CG PRO A 115 -15.520 0.874 -10.723 1.00 71.33 C ATOM 1760 CD PRO A 115 -14.941 0.226 -9.471 1.00 60.22 C ATOM 0 HA PRO A 115 -15.912 2.942 -8.181 1.00 75.24 H new ATOM 0 HB2 PRO A 115 -16.804 2.631 -10.803 1.00 35.21 H new ATOM 0 HB3 PRO A 115 -15.140 2.991 -10.384 1.00 35.21 H new ATOM 0 HG2 PRO A 115 -16.368 0.309 -11.112 1.00 71.33 H new ATOM 0 HG3 PRO A 115 -14.782 0.932 -11.523 1.00 71.33 H new ATOM 0 HD2 PRO A 115 -15.095 -0.853 -9.481 1.00 60.22 H new ATOM 0 HD3 PRO A 115 -13.866 0.394 -9.405 1.00 60.22 H new