USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 870 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 87 LYS NZ :NH3+ 129:sc= 1.25 (180deg=0.605) USER MOD Set 1.2: B 745 SER OG : rot -33:sc= 0.34 USER MOD Set 2.1: A 67 HIS : no HD1:sc= -0.685 X(o=1.4,f=1.7) USER MOD Set 2.2: A 71 CYS SG : rot 90:sc= 0.4 USER MOD Set 2.3: A 76 CYS SG : rot 143:sc= 0.957 USER MOD Set 2.4: A 81 CYS SG : rot -156:sc= -1.44! USER MOD Set 2.5: A 85 LYS NZ :NH3+ -170:sc= 2.2 (180deg=0.94) USER MOD Set 3.1: A 69 LYS NZ :NH3+ -113:sc= 0.35 (180deg=0) USER MOD Set 3.2: A 70 HIS : no HE2:sc= 0.812 K(o=1.2,f=-2!) USER MOD Set 4.1: A 42 HIS : no HE2:sc= -2.42 X(o=5.6,f=5.7) USER MOD Set 4.2: A 43 THR OG1 : rot -58:sc= 1.29 USER MOD Set 4.3: A 46 CYS SG : rot 160:sc= 2.64 USER MOD Set 4.4: A 49 LYS NZ :NH3+ 152:sc= -0.181 (180deg=-2.11!) USER MOD Set 4.5: A 54 CYS SG : rot -156:sc= 2.44 USER MOD Set 4.6: A 57 CYS SG : rot 137:sc= 1.8! USER MOD Set 5.1: A 16 SER OG : rot 75:sc= 1.27 USER MOD Set 5.2: A 32 SER OG : rot 164:sc= 0.717 USER MOD Set 6.1: A 19 HIS : no HD1:sc= -0.915 K(o=7.8,f=7) USER MOD Set 6.2: A 23 CYS SG : rot 48:sc= 1.27 USER MOD Set 6.3: A 25 ASN : amide:sc= 1.3 K(o=7.8,f=5) USER MOD Set 6.4: A 28 CYS SG : rot 131:sc= 2.48 USER MOD Set 6.5: A 33 CYS SG : rot -166:sc= 0.415 USER MOD Set 6.6: A 37 LYS NZ :NH3+ 170:sc= 3.24 (180deg=1.16) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -120:sc= 1.19 USER MOD Single : A 11 GLN : amide:sc= -0.0598 K(o=-0.06,f=-0.6) USER MOD Single : A 13 CYS SG : rot 71:sc= 0.333 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 79:sc= 0.341 USER MOD Single : A 22 GLN : amide:sc= 0.896 K(o=0.9,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.028) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.19 K(o=1.2,f=-0.37) USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= 0.769 (180deg=0.29) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.0839 (180deg=-0.0839) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -170:sc= -0.0105 USER MOD Single : A 51 ASN : amide:sc= 0.146 K(o=0.15,f=-0.36) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.933 K(o=0.93,f=-1.1) USER MOD Single : A 64 CYS SG : rot 79:sc= 0.322 USER MOD Single : A 65 CYS SG : rot 155:sc= -0.0325 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.15 (180deg=0.976) USER MOD Single : A 83 ASN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.07) USER MOD Single : B 722 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.047) USER MOD Single : B 726 MET CE :methyl 176:sc= 0 (180deg=-0.0375) USER MOD Single : B 727 SER OG : rot 180:sc=-0.00999 USER MOD Single : B 735 SER OG : rot 71:sc= 0.739 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 746 MET CE :methyl 164:sc= -4.45! (180deg=-4.65!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 50.486 -12.665 27.835 1.00 0.00 N ATOM 44 CA GLU A 4 50.054 -14.067 27.853 1.00 0.00 C ATOM 45 C GLU A 4 48.540 -14.216 27.663 1.00 0.00 C ATOM 46 O GLU A 4 48.108 -15.134 26.974 1.00 0.00 O ATOM 47 CB GLU A 4 50.485 -14.718 29.174 1.00 0.00 C ATOM 48 CG GLU A 4 51.944 -15.193 29.195 1.00 0.00 C ATOM 49 CD GLU A 4 52.953 -14.140 28.707 1.00 0.00 C ATOM 50 OE1 GLU A 4 52.985 -13.017 29.264 1.00 0.00 O ATOM 51 OE2 GLU A 4 53.692 -14.433 27.737 1.00 0.00 O ATOM 0 HA GLU A 4 50.532 -14.570 27.013 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.336 -14.004 29.984 1.00 0.00 H new ATOM 0 HB3 GLU A 4 49.835 -15.569 29.376 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.205 -15.487 30.212 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.034 -16.083 28.573 1.00 0.00 H new ATOM 58 N SER A 5 47.730 -13.298 28.199 1.00 0.00 N ATOM 59 CA SER A 5 46.272 -13.297 28.011 1.00 0.00 C ATOM 60 C SER A 5 45.890 -13.333 26.524 1.00 0.00 C ATOM 61 O SER A 5 45.027 -14.116 26.116 1.00 0.00 O ATOM 62 CB SER A 5 45.675 -12.060 28.693 1.00 0.00 C ATOM 63 OG SER A 5 46.225 -10.870 28.148 1.00 0.00 O ATOM 0 H SER A 5 48.067 -12.530 28.779 1.00 0.00 H new ATOM 0 HA SER A 5 45.864 -14.199 28.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 44.592 -12.057 28.567 1.00 0.00 H new ATOM 0 HB3 SER A 5 45.871 -12.099 29.764 1.00 0.00 H new ATOM 0 HG SER A 5 45.830 -10.092 28.595 1.00 0.00 H new ATOM 69 N ARG A 6 46.584 -12.538 25.697 1.00 0.00 N ATOM 70 CA ARG A 6 46.426 -12.489 24.235 1.00 0.00 C ATOM 71 C ARG A 6 46.912 -13.790 23.600 1.00 0.00 C ATOM 72 O ARG A 6 46.168 -14.412 22.848 1.00 0.00 O ATOM 73 CB ARG A 6 47.195 -11.296 23.630 1.00 0.00 C ATOM 74 CG ARG A 6 46.888 -9.944 24.291 1.00 0.00 C ATOM 75 CD ARG A 6 47.644 -8.825 23.566 1.00 0.00 C ATOM 76 NE ARG A 6 47.459 -7.530 24.244 1.00 0.00 N ATOM 77 CZ ARG A 6 47.412 -6.344 23.668 1.00 0.00 C ATOM 78 NH1 ARG A 6 47.612 -6.156 22.398 1.00 0.00 N ATOM 79 NH2 ARG A 6 47.121 -5.276 24.346 1.00 0.00 N ATOM 0 H ARG A 6 47.294 -11.890 26.038 1.00 0.00 H new ATOM 0 HA ARG A 6 45.365 -12.360 24.022 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.265 -11.491 23.709 1.00 0.00 H new ATOM 0 HB3 ARG A 6 46.961 -11.229 22.568 1.00 0.00 H new ATOM 0 HG2 ARG A 6 45.816 -9.750 24.260 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.178 -9.969 25.342 1.00 0.00 H new ATOM 0 HD2 ARG A 6 48.706 -9.068 23.524 1.00 0.00 H new ATOM 0 HD3 ARG A 6 47.293 -8.753 22.537 1.00 0.00 H new ATOM 0 HE ARG A 6 47.357 -7.553 25.259 1.00 0.00 H new ATOM 0 HH11 ARG A 6 47.818 -6.950 21.791 1.00 0.00 H new ATOM 0 HH12 ARG A 6 47.563 -5.215 22.008 1.00 0.00 H new ATOM 0 HH21 ARG A 6 46.923 -5.344 25.344 1.00 0.00 H new ATOM 0 HH22 ARG A 6 47.090 -4.369 23.880 1.00 0.00 H new ATOM 93 N ARG A 7 48.137 -14.227 23.928 1.00 0.00 N ATOM 94 CA ARG A 7 48.779 -15.455 23.403 1.00 0.00 C ATOM 95 C ARG A 7 47.918 -16.698 23.593 1.00 0.00 C ATOM 96 O ARG A 7 47.683 -17.459 22.656 1.00 0.00 O ATOM 97 CB ARG A 7 50.148 -15.647 24.073 1.00 0.00 C ATOM 98 CG ARG A 7 51.099 -14.517 23.677 1.00 0.00 C ATOM 99 CD ARG A 7 52.411 -14.577 24.450 1.00 0.00 C ATOM 100 NE ARG A 7 53.306 -13.555 23.884 1.00 0.00 N ATOM 101 CZ ARG A 7 54.263 -12.836 24.427 1.00 0.00 C ATOM 102 NH1 ARG A 7 54.705 -12.988 25.641 1.00 0.00 N ATOM 103 NH2 ARG A 7 54.785 -11.902 23.691 1.00 0.00 N ATOM 0 H ARG A 7 48.732 -13.724 24.586 1.00 0.00 H new ATOM 0 HA ARG A 7 48.905 -15.324 22.328 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.030 -15.668 25.156 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.572 -16.607 23.780 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.305 -14.575 22.608 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.616 -13.557 23.857 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.240 -14.392 25.510 1.00 0.00 H new ATOM 0 HD3 ARG A 7 52.859 -15.567 24.368 1.00 0.00 H new ATOM 0 HE ARG A 7 53.157 -13.372 22.892 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.304 -13.707 26.244 1.00 0.00 H new ATOM 0 HH12 ARG A 7 55.453 -12.389 25.990 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.449 -11.755 22.739 1.00 0.00 H new ATOM 0 HH22 ARG A 7 55.531 -11.315 24.065 1.00 0.00 H new ATOM 117 N LEU A 8 47.424 -16.878 24.813 1.00 0.00 N ATOM 118 CA LEU A 8 46.554 -17.985 25.204 1.00 0.00 C ATOM 119 C LEU A 8 45.181 -17.885 24.515 1.00 0.00 C ATOM 120 O LEU A 8 44.661 -18.898 24.054 1.00 0.00 O ATOM 121 CB LEU A 8 46.476 -18.009 26.743 1.00 0.00 C ATOM 122 CG LEU A 8 47.844 -18.266 27.423 1.00 0.00 C ATOM 123 CD1 LEU A 8 47.717 -18.119 28.937 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.437 -19.637 27.103 1.00 0.00 C ATOM 0 H LEU A 8 47.623 -16.238 25.582 1.00 0.00 H new ATOM 0 HA LEU A 8 46.964 -18.938 24.869 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.077 -17.058 27.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 45.774 -18.783 27.052 1.00 0.00 H new ATOM 0 HG LEU A 8 48.525 -17.517 27.018 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.685 -18.302 29.403 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.384 -17.110 29.178 1.00 0.00 H new ATOM 0 HD13 LEU A 8 46.991 -18.840 29.313 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.394 -19.747 27.613 1.00 0.00 H new ATOM 0 HD22 LEU A 8 47.754 -20.417 27.441 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.586 -19.727 26.027 1.00 0.00 H new ATOM 136 N SER A 9 44.616 -16.680 24.367 1.00 0.00 N ATOM 137 CA SER A 9 43.354 -16.465 23.638 1.00 0.00 C ATOM 138 C SER A 9 43.489 -16.772 22.136 1.00 0.00 C ATOM 139 O SER A 9 42.598 -17.387 21.544 1.00 0.00 O ATOM 140 CB SER A 9 42.864 -15.032 23.859 1.00 0.00 C ATOM 141 OG SER A 9 41.546 -14.874 23.374 1.00 0.00 O ATOM 0 H SER A 9 45.019 -15.824 24.749 1.00 0.00 H new ATOM 0 HA SER A 9 42.617 -17.163 24.036 1.00 0.00 H new ATOM 0 HB2 SER A 9 42.897 -14.791 24.921 1.00 0.00 H new ATOM 0 HB3 SER A 9 43.529 -14.333 23.353 1.00 0.00 H new ATOM 0 HG SER A 9 41.535 -14.187 22.676 1.00 0.00 H new ATOM 147 N ILE A 10 44.624 -16.425 21.515 1.00 0.00 N ATOM 148 CA ILE A 10 44.922 -16.742 20.106 1.00 0.00 C ATOM 149 C ILE A 10 44.880 -18.266 19.889 1.00 0.00 C ATOM 150 O ILE A 10 44.292 -18.725 18.912 1.00 0.00 O ATOM 151 CB ILE A 10 46.267 -16.102 19.681 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.148 -14.560 19.626 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.735 -16.614 18.308 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.487 -13.843 19.842 1.00 0.00 C ATOM 0 H ILE A 10 45.372 -15.910 21.980 1.00 0.00 H new ATOM 0 HA ILE A 10 44.158 -16.310 19.460 1.00 0.00 H new ATOM 0 HB ILE A 10 47.003 -16.390 20.432 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.739 -14.268 18.659 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.439 -14.229 20.385 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.682 -16.141 18.047 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.869 -17.695 18.349 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.987 -16.369 17.554 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.335 -12.765 19.792 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.888 -14.107 20.821 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.191 -14.147 19.067 1.00 0.00 H new ATOM 166 N GLN A 11 45.418 -19.069 20.820 1.00 0.00 N ATOM 167 CA GLN A 11 45.332 -20.536 20.752 1.00 0.00 C ATOM 168 C GLN A 11 43.873 -21.036 20.765 1.00 0.00 C ATOM 169 O GLN A 11 43.541 -21.947 20.005 1.00 0.00 O ATOM 170 CB GLN A 11 46.148 -21.195 21.878 1.00 0.00 C ATOM 171 CG GLN A 11 47.664 -21.001 21.733 1.00 0.00 C ATOM 172 CD GLN A 11 48.277 -21.728 20.534 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.669 -22.539 19.848 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.529 -21.466 20.240 1.00 0.00 N ATOM 0 H GLN A 11 45.922 -18.722 21.636 1.00 0.00 H new ATOM 0 HA GLN A 11 45.766 -20.833 19.797 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.828 -20.785 22.836 1.00 0.00 H new ATOM 0 HB3 GLN A 11 45.927 -22.262 21.899 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.876 -19.935 21.645 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.152 -21.349 22.643 1.00 0.00 H new ATOM 0 HE21 GLN A 11 50.054 -20.793 20.799 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.977 -21.935 19.453 1.00 0.00 H new ATOM 183 N ARG A 12 42.971 -20.415 21.549 1.00 0.00 N ATOM 184 CA ARG A 12 41.527 -20.753 21.547 1.00 0.00 C ATOM 185 C ARG A 12 40.921 -20.512 20.161 1.00 0.00 C ATOM 186 O ARG A 12 40.163 -21.340 19.655 1.00 0.00 O ATOM 187 CB ARG A 12 40.731 -19.932 22.584 1.00 0.00 C ATOM 188 CG ARG A 12 41.277 -19.986 24.017 1.00 0.00 C ATOM 189 CD ARG A 12 40.468 -19.058 24.932 1.00 0.00 C ATOM 190 NE ARG A 12 41.107 -18.932 26.258 1.00 0.00 N ATOM 191 CZ ARG A 12 41.372 -17.822 26.927 1.00 0.00 C ATOM 192 NH1 ARG A 12 41.077 -16.636 26.473 1.00 0.00 N ATOM 193 NH2 ARG A 12 41.951 -17.885 28.091 1.00 0.00 N ATOM 0 H ARG A 12 43.217 -19.669 22.199 1.00 0.00 H new ATOM 0 HA ARG A 12 41.455 -21.807 21.813 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.708 -18.892 22.260 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.700 -20.287 22.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 41.231 -21.008 24.392 1.00 0.00 H new ATOM 0 HG3 ARG A 12 42.326 -19.691 24.025 1.00 0.00 H new ATOM 0 HD2 ARG A 12 40.380 -18.074 24.472 1.00 0.00 H new ATOM 0 HD3 ARG A 12 39.456 -19.447 25.048 1.00 0.00 H new ATOM 0 HE ARG A 12 41.376 -19.805 26.712 1.00 0.00 H new ATOM 0 HH11 ARG A 12 40.622 -16.536 25.566 1.00 0.00 H new ATOM 0 HH12 ARG A 12 41.301 -15.808 27.025 1.00 0.00 H new ATOM 0 HH21 ARG A 12 42.201 -18.791 28.488 1.00 0.00 H new ATOM 0 HH22 ARG A 12 42.155 -17.029 28.606 1.00 0.00 H new ATOM 207 N CYS A 13 41.291 -19.395 19.530 1.00 0.00 N ATOM 208 CA CYS A 13 40.849 -19.037 18.182 1.00 0.00 C ATOM 209 C CYS A 13 41.392 -20.025 17.134 1.00 0.00 C ATOM 210 O CYS A 13 40.650 -20.442 16.246 1.00 0.00 O ATOM 211 CB CYS A 13 41.267 -17.595 17.862 1.00 0.00 C ATOM 212 SG CYS A 13 40.591 -16.431 19.085 1.00 0.00 S ATOM 0 H CYS A 13 41.915 -18.705 19.948 1.00 0.00 H new ATOM 0 HA CYS A 13 39.761 -19.099 18.144 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.355 -17.523 17.849 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.917 -17.324 16.866 1.00 0.00 H new ATOM 0 HG CYS A 13 41.199 -16.594 20.222 1.00 0.00 H new ATOM 218 N ILE A 14 42.659 -20.445 17.250 1.00 0.00 N ATOM 219 CA ILE A 14 43.281 -21.444 16.363 1.00 0.00 C ATOM 220 C ILE A 14 42.516 -22.769 16.464 1.00 0.00 C ATOM 221 O ILE A 14 42.101 -23.307 15.439 1.00 0.00 O ATOM 222 CB ILE A 14 44.785 -21.595 16.690 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.531 -20.329 16.221 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.411 -22.839 16.030 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.897 -20.122 16.871 1.00 0.00 C ATOM 0 H ILE A 14 43.291 -20.097 17.971 1.00 0.00 H new ATOM 0 HA ILE A 14 43.220 -21.110 15.327 1.00 0.00 H new ATOM 0 HB ILE A 14 44.879 -21.722 17.768 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.661 -20.379 15.140 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.909 -19.458 16.428 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.467 -22.897 16.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.900 -23.734 16.383 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.309 -22.766 14.947 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.350 -19.209 16.483 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.777 -20.037 17.951 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.541 -20.972 16.643 1.00 0.00 H new ATOM 237 N GLN A 15 42.262 -23.267 17.679 1.00 0.00 N ATOM 238 CA GLN A 15 41.470 -24.486 17.894 1.00 0.00 C ATOM 239 C GLN A 15 40.054 -24.355 17.308 1.00 0.00 C ATOM 240 O GLN A 15 39.558 -25.294 16.684 1.00 0.00 O ATOM 241 CB GLN A 15 41.417 -24.835 19.386 1.00 0.00 C ATOM 242 CG GLN A 15 42.776 -25.337 19.894 1.00 0.00 C ATOM 243 CD GLN A 15 42.656 -25.971 21.274 1.00 0.00 C ATOM 244 OE1 GLN A 15 42.931 -25.369 22.305 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.225 -27.213 21.341 1.00 0.00 N ATOM 0 H GLN A 15 42.599 -22.838 18.541 1.00 0.00 H new ATOM 0 HA GLN A 15 41.964 -25.301 17.365 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.116 -23.956 19.956 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.659 -25.600 19.555 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.182 -26.065 19.192 1.00 0.00 H new ATOM 0 HG3 GLN A 15 43.480 -24.506 19.934 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.994 -27.720 20.486 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.122 -27.669 22.248 1.00 0.00 H new ATOM 254 N SER A 16 39.416 -23.188 17.456 1.00 0.00 N ATOM 255 CA SER A 16 38.085 -22.910 16.894 1.00 0.00 C ATOM 256 C SER A 16 38.081 -22.945 15.360 1.00 0.00 C ATOM 257 O SER A 16 37.192 -23.554 14.765 1.00 0.00 O ATOM 258 CB SER A 16 37.569 -21.548 17.364 1.00 0.00 C ATOM 259 OG SER A 16 37.375 -21.528 18.768 1.00 0.00 O ATOM 0 H SER A 16 39.811 -22.402 17.973 1.00 0.00 H new ATOM 0 HA SER A 16 37.427 -23.700 17.256 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.279 -20.770 17.082 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.629 -21.319 16.861 1.00 0.00 H new ATOM 0 HG SER A 16 38.244 -21.467 19.217 1.00 0.00 H new ATOM 265 N LEU A 17 39.076 -22.334 14.701 1.00 0.00 N ATOM 266 CA LEU A 17 39.191 -22.354 13.238 1.00 0.00 C ATOM 267 C LEU A 17 39.517 -23.770 12.736 1.00 0.00 C ATOM 268 O LEU A 17 38.904 -24.233 11.776 1.00 0.00 O ATOM 269 CB LEU A 17 40.226 -21.310 12.778 1.00 0.00 C ATOM 270 CG LEU A 17 40.379 -21.190 11.246 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.067 -20.884 10.509 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.373 -20.076 10.917 1.00 0.00 C ATOM 0 H LEU A 17 39.820 -21.814 15.166 1.00 0.00 H new ATOM 0 HA LEU A 17 38.233 -22.081 12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.944 -20.337 13.179 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.195 -21.564 13.208 1.00 0.00 H new ATOM 0 HG LEU A 17 40.727 -22.165 10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.259 -20.815 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.349 -21.682 10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.661 -19.938 10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.480 -19.992 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 41.007 -19.131 11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.341 -20.309 11.361 1.00 0.00 H new ATOM 284 N VAL A 18 40.427 -24.488 13.407 1.00 0.00 N ATOM 285 CA VAL A 18 40.773 -25.889 13.099 1.00 0.00 C ATOM 286 C VAL A 18 39.529 -26.780 13.195 1.00 0.00 C ATOM 287 O VAL A 18 39.290 -27.594 12.301 1.00 0.00 O ATOM 288 CB VAL A 18 41.901 -26.385 14.027 1.00 0.00 C ATOM 289 CG1 VAL A 18 42.048 -27.909 14.016 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.251 -25.786 13.614 1.00 0.00 C ATOM 0 H VAL A 18 40.955 -24.109 14.193 1.00 0.00 H new ATOM 0 HA VAL A 18 41.142 -25.944 12.075 1.00 0.00 H new ATOM 0 HB VAL A 18 41.621 -26.062 15.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.856 -28.201 14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.117 -28.367 14.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.276 -28.245 13.005 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.031 -26.150 14.283 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.483 -26.082 12.591 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.200 -24.699 13.674 1.00 0.00 H new ATOM 300 N HIS A 19 38.714 -26.614 14.242 1.00 0.00 N ATOM 301 CA HIS A 19 37.445 -27.328 14.403 1.00 0.00 C ATOM 302 C HIS A 19 36.511 -27.001 13.226 1.00 0.00 C ATOM 303 O HIS A 19 36.053 -27.912 12.539 1.00 0.00 O ATOM 304 CB HIS A 19 36.805 -26.965 15.757 1.00 0.00 C ATOM 305 CG HIS A 19 35.427 -27.556 15.968 1.00 0.00 C ATOM 306 ND1 HIS A 19 35.098 -28.621 16.778 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.261 -27.128 15.387 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.771 -28.831 16.673 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.212 -27.949 15.823 1.00 0.00 N ATOM 0 H HIS A 19 38.920 -25.973 15.009 1.00 0.00 H new ATOM 0 HA HIS A 19 37.625 -28.403 14.399 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.461 -27.304 16.559 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.739 -25.880 15.836 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.167 -26.295 14.706 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.229 -29.603 17.200 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.230 -27.891 15.553 1.00 0.00 H new ATOM 317 N ALA A 20 36.267 -25.716 12.946 1.00 0.00 N ATOM 318 CA ALA A 20 35.410 -25.270 11.846 1.00 0.00 C ATOM 319 C ALA A 20 35.852 -25.791 10.463 1.00 0.00 C ATOM 320 O ALA A 20 35.002 -26.080 9.619 1.00 0.00 O ATOM 321 CB ALA A 20 35.350 -23.743 11.873 1.00 0.00 C ATOM 0 H ALA A 20 36.665 -24.947 13.485 1.00 0.00 H new ATOM 0 HA ALA A 20 34.418 -25.695 11.998 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.716 -23.389 11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.937 -23.412 12.826 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.354 -23.337 11.752 1.00 0.00 H new ATOM 327 N CYS A 21 37.161 -25.959 10.235 1.00 0.00 N ATOM 328 CA CYS A 21 37.717 -26.520 8.996 1.00 0.00 C ATOM 329 C CYS A 21 37.390 -28.020 8.806 1.00 0.00 C ATOM 330 O CYS A 21 37.565 -28.550 7.707 1.00 0.00 O ATOM 331 CB CYS A 21 39.233 -26.275 8.964 1.00 0.00 C ATOM 332 SG CYS A 21 39.570 -24.507 8.719 1.00 0.00 S ATOM 0 H CYS A 21 37.875 -25.705 10.917 1.00 0.00 H new ATOM 0 HA CYS A 21 37.242 -26.008 8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.684 -26.614 9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.687 -26.855 8.161 1.00 0.00 H new ATOM 0 HG CYS A 21 39.407 -23.874 9.843 1.00 0.00 H new ATOM 338 N GLN A 22 36.913 -28.703 9.855 1.00 0.00 N ATOM 339 CA GLN A 22 36.531 -30.125 9.857 1.00 0.00 C ATOM 340 C GLN A 22 35.028 -30.342 10.127 1.00 0.00 C ATOM 341 O GLN A 22 34.485 -31.387 9.759 1.00 0.00 O ATOM 342 CB GLN A 22 37.348 -30.857 10.934 1.00 0.00 C ATOM 343 CG GLN A 22 38.859 -30.843 10.665 1.00 0.00 C ATOM 344 CD GLN A 22 39.636 -31.289 11.896 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.964 -32.454 12.084 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.953 -30.372 12.784 1.00 0.00 N ATOM 0 H GLN A 22 36.776 -28.263 10.765 1.00 0.00 H new ATOM 0 HA GLN A 22 36.740 -30.522 8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 22 37.154 -30.396 11.903 1.00 0.00 H new ATOM 0 HB3 GLN A 22 37.007 -31.890 10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.089 -31.501 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.172 -29.839 10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.682 -29.400 12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.469 -30.633 13.624 1.00 0.00 H new ATOM 355 N CYS A 23 34.362 -29.382 10.775 1.00 0.00 N ATOM 356 CA CYS A 23 32.948 -29.415 11.136 1.00 0.00 C ATOM 357 C CYS A 23 32.002 -29.276 9.920 1.00 0.00 C ATOM 358 O CYS A 23 32.392 -28.845 8.829 1.00 0.00 O ATOM 359 CB CYS A 23 32.720 -28.338 12.207 1.00 0.00 C ATOM 360 SG CYS A 23 31.125 -28.566 13.044 1.00 0.00 S ATOM 0 H CYS A 23 34.819 -28.521 11.075 1.00 0.00 H new ATOM 0 HA CYS A 23 32.697 -30.395 11.541 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.526 -28.375 12.940 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.753 -27.351 11.746 1.00 0.00 H new ATOM 0 HG CYS A 23 30.997 -29.809 13.403 1.00 0.00 H new ATOM 365 N ARG A 24 30.739 -29.654 10.136 1.00 0.00 N ATOM 366 CA ARG A 24 29.632 -29.654 9.157 1.00 0.00 C ATOM 367 C ARG A 24 28.323 -29.066 9.705 1.00 0.00 C ATOM 368 O ARG A 24 27.420 -28.768 8.923 1.00 0.00 O ATOM 369 CB ARG A 24 29.359 -31.095 8.674 1.00 0.00 C ATOM 370 CG ARG A 24 30.424 -31.713 7.744 1.00 0.00 C ATOM 371 CD ARG A 24 31.607 -32.389 8.450 1.00 0.00 C ATOM 372 NE ARG A 24 31.194 -33.564 9.243 1.00 0.00 N ATOM 373 CZ ARG A 24 31.878 -34.136 10.218 1.00 0.00 C ATOM 374 NH1 ARG A 24 33.041 -33.698 10.609 1.00 0.00 N ATOM 375 NH2 ARG A 24 31.397 -35.181 10.830 1.00 0.00 N ATOM 0 H ARG A 24 30.437 -29.989 11.051 1.00 0.00 H new ATOM 0 HA ARG A 24 29.957 -29.015 8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.254 -31.736 9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.401 -31.107 8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.938 -32.448 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.812 -30.929 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 24 32.342 -32.696 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 24 32.097 -31.667 9.104 1.00 0.00 H new ATOM 0 HE ARG A 24 30.289 -33.976 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.457 -32.883 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 24 33.535 -34.170 11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 24 30.490 -35.560 10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 24 31.927 -35.620 11.582 1.00 0.00 H new ATOM 389 N ASN A 25 28.203 -28.898 11.023 1.00 0.00 N ATOM 390 CA ASN A 25 27.006 -28.369 11.681 1.00 0.00 C ATOM 391 C ASN A 25 26.709 -26.921 11.248 1.00 0.00 C ATOM 392 O ASN A 25 27.541 -26.032 11.448 1.00 0.00 O ATOM 393 CB ASN A 25 27.210 -28.414 13.204 1.00 0.00 C ATOM 394 CG ASN A 25 27.426 -29.797 13.792 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.795 -30.776 13.412 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.321 -29.911 14.742 1.00 0.00 N ATOM 0 H ASN A 25 28.951 -29.131 11.677 1.00 0.00 H new ATOM 0 HA ASN A 25 26.156 -28.986 11.389 1.00 0.00 H new ATOM 0 HB2 ASN A 25 28.069 -27.792 13.457 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.340 -27.966 13.683 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.497 -30.820 15.171 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.842 -29.091 15.053 1.00 0.00 H new ATOM 403 N ALA A 26 25.518 -26.660 10.700 1.00 0.00 N ATOM 404 CA ALA A 26 25.093 -25.309 10.306 1.00 0.00 C ATOM 405 C ALA A 26 24.944 -24.349 11.509 1.00 0.00 C ATOM 406 O ALA A 26 25.057 -23.131 11.359 1.00 0.00 O ATOM 407 CB ALA A 26 23.779 -25.430 9.522 1.00 0.00 C ATOM 0 H ALA A 26 24.819 -27.379 10.516 1.00 0.00 H new ATOM 0 HA ALA A 26 25.869 -24.868 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.444 -24.438 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.939 -26.046 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.020 -25.892 10.153 1.00 0.00 H new ATOM 413 N ASN A 27 24.699 -24.905 12.702 1.00 0.00 N ATOM 414 CA ASN A 27 24.504 -24.199 13.972 1.00 0.00 C ATOM 415 C ASN A 27 25.186 -24.968 15.130 1.00 0.00 C ATOM 416 O ASN A 27 24.539 -25.322 16.121 1.00 0.00 O ATOM 417 CB ASN A 27 22.992 -23.973 14.194 1.00 0.00 C ATOM 418 CG ASN A 27 22.379 -23.014 13.186 1.00 0.00 C ATOM 419 OD1 ASN A 27 22.434 -21.801 13.334 1.00 0.00 O ATOM 420 ND2 ASN A 27 21.772 -23.518 12.133 1.00 0.00 N ATOM 0 H ASN A 27 24.628 -25.917 12.812 1.00 0.00 H new ATOM 0 HA ASN A 27 24.981 -23.219 13.942 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.475 -24.931 14.136 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.832 -23.585 15.200 1.00 0.00 H new ATOM 0 HD21 ASN A 27 21.349 -22.898 11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 27 21.725 -24.529 12.007 1.00 0.00 H new ATOM 427 N CYS A 28 26.484 -25.272 14.977 1.00 0.00 N ATOM 428 CA CYS A 28 27.309 -25.999 15.951 1.00 0.00 C ATOM 429 C CYS A 28 27.210 -25.414 17.378 1.00 0.00 C ATOM 430 O CYS A 28 26.988 -24.212 17.556 1.00 0.00 O ATOM 431 CB CYS A 28 28.759 -25.980 15.444 1.00 0.00 C ATOM 432 SG CYS A 28 29.698 -27.395 16.092 1.00 0.00 S ATOM 0 H CYS A 28 27.006 -25.008 14.141 1.00 0.00 H new ATOM 0 HA CYS A 28 26.942 -27.022 16.032 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.767 -26.003 14.354 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.241 -25.050 15.747 1.00 0.00 H new ATOM 0 HG CYS A 28 30.316 -27.990 15.115 1.00 0.00 H new ATOM 437 N SER A 29 27.388 -26.240 18.411 1.00 0.00 N ATOM 438 CA SER A 29 27.305 -25.801 19.814 1.00 0.00 C ATOM 439 C SER A 29 28.389 -24.795 20.234 1.00 0.00 C ATOM 440 O SER A 29 28.207 -24.087 21.230 1.00 0.00 O ATOM 441 CB SER A 29 27.295 -27.005 20.763 1.00 0.00 C ATOM 442 OG SER A 29 28.485 -27.769 20.641 1.00 0.00 O ATOM 0 H SER A 29 27.594 -27.233 18.303 1.00 0.00 H new ATOM 0 HA SER A 29 26.360 -25.264 19.890 1.00 0.00 H new ATOM 0 HB2 SER A 29 27.186 -26.659 21.791 1.00 0.00 H new ATOM 0 HB3 SER A 29 26.432 -27.635 20.546 1.00 0.00 H new ATOM 0 HG SER A 29 28.451 -28.529 21.259 1.00 0.00 H new ATOM 448 N LEU A 30 29.486 -24.672 19.475 1.00 0.00 N ATOM 449 CA LEU A 30 30.537 -23.681 19.721 1.00 0.00 C ATOM 450 C LEU A 30 30.128 -22.319 19.120 1.00 0.00 C ATOM 451 O LEU A 30 29.818 -22.249 17.925 1.00 0.00 O ATOM 452 CB LEU A 30 31.871 -24.154 19.114 1.00 0.00 C ATOM 453 CG LEU A 30 32.681 -25.118 19.999 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.909 -25.604 19.226 1.00 0.00 C ATOM 455 CD2 LEU A 30 33.178 -24.445 21.285 1.00 0.00 C ATOM 0 H LEU A 30 29.669 -25.265 18.665 1.00 0.00 H new ATOM 0 HA LEU A 30 30.668 -23.566 20.797 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.667 -24.643 18.162 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.485 -23.280 18.898 1.00 0.00 H new ATOM 0 HG LEU A 30 32.019 -25.942 20.266 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.485 -26.287 19.850 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.588 -26.122 18.322 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.530 -24.750 18.955 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.744 -25.164 21.877 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.819 -23.601 21.030 1.00 0.00 H new ATOM 0 HD23 LEU A 30 32.325 -24.091 21.863 1.00 0.00 H new ATOM 467 N PRO A 31 30.150 -21.219 19.899 1.00 0.00 N ATOM 468 CA PRO A 31 29.795 -19.888 19.398 1.00 0.00 C ATOM 469 C PRO A 31 30.783 -19.387 18.331 1.00 0.00 C ATOM 470 O PRO A 31 30.393 -18.667 17.411 1.00 0.00 O ATOM 471 CB PRO A 31 29.767 -18.982 20.635 1.00 0.00 C ATOM 472 CG PRO A 31 30.713 -19.674 21.616 1.00 0.00 C ATOM 473 CD PRO A 31 30.517 -21.153 21.307 1.00 0.00 C ATOM 0 HA PRO A 31 28.830 -19.897 18.891 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.104 -17.973 20.399 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.760 -18.895 21.044 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.747 -19.365 21.464 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.460 -19.442 22.651 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.429 -21.717 21.500 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.737 -21.584 21.935 1.00 0.00 H new ATOM 481 N SER A 32 32.054 -19.792 18.426 1.00 0.00 N ATOM 482 CA SER A 32 33.102 -19.453 17.460 1.00 0.00 C ATOM 483 C SER A 32 32.946 -20.228 16.148 1.00 0.00 C ATOM 484 O SER A 32 33.015 -19.611 15.092 1.00 0.00 O ATOM 485 CB SER A 32 34.478 -19.709 18.076 1.00 0.00 C ATOM 486 OG SER A 32 34.537 -21.017 18.624 1.00 0.00 O ATOM 0 H SER A 32 32.389 -20.376 19.192 1.00 0.00 H new ATOM 0 HA SER A 32 33.005 -18.394 17.219 1.00 0.00 H new ATOM 0 HB2 SER A 32 35.251 -19.590 17.317 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.679 -18.972 18.854 1.00 0.00 H new ATOM 0 HG SER A 32 35.473 -21.267 18.774 1.00 0.00 H new ATOM 492 N CYS A 33 32.693 -21.541 16.177 1.00 0.00 N ATOM 493 CA CYS A 33 32.468 -22.396 15.000 1.00 0.00 C ATOM 494 C CYS A 33 31.408 -21.796 14.044 1.00 0.00 C ATOM 495 O CYS A 33 31.646 -21.652 12.838 1.00 0.00 O ATOM 496 CB CYS A 33 32.093 -23.792 15.531 1.00 0.00 C ATOM 497 SG CYS A 33 31.862 -25.039 14.227 1.00 0.00 S ATOM 0 H CYS A 33 32.637 -22.060 17.053 1.00 0.00 H new ATOM 0 HA CYS A 33 33.368 -22.468 14.389 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.873 -24.133 16.212 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.174 -23.714 16.112 1.00 0.00 H new ATOM 0 HG CYS A 33 31.272 -26.084 14.726 1.00 0.00 H new ATOM 502 N GLN A 34 30.271 -21.347 14.599 1.00 0.00 N ATOM 503 CA GLN A 34 29.190 -20.670 13.863 1.00 0.00 C ATOM 504 C GLN A 34 29.662 -19.424 13.084 1.00 0.00 C ATOM 505 O GLN A 34 29.087 -19.093 12.044 1.00 0.00 O ATOM 506 CB GLN A 34 28.081 -20.238 14.841 1.00 0.00 C ATOM 507 CG GLN A 34 27.314 -21.393 15.507 1.00 0.00 C ATOM 508 CD GLN A 34 26.250 -20.890 16.491 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.689 -19.808 16.364 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.916 -21.646 17.515 1.00 0.00 N ATOM 0 H GLN A 34 30.073 -21.447 15.595 1.00 0.00 H new ATOM 0 HA GLN A 34 28.821 -21.394 13.137 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.526 -19.620 15.621 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.369 -19.611 14.305 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.837 -22.001 14.738 1.00 0.00 H new ATOM 0 HG3 GLN A 34 28.017 -22.038 16.033 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.365 -22.552 17.648 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.208 -21.326 18.176 1.00 0.00 H new ATOM 519 N LYS A 35 30.692 -18.727 13.584 1.00 0.00 N ATOM 520 CA LYS A 35 31.316 -17.529 12.994 1.00 0.00 C ATOM 521 C LYS A 35 32.471 -17.880 12.048 1.00 0.00 C ATOM 522 O LYS A 35 32.533 -17.355 10.938 1.00 0.00 O ATOM 523 CB LYS A 35 31.759 -16.634 14.167 1.00 0.00 C ATOM 524 CG LYS A 35 32.411 -15.307 13.760 1.00 0.00 C ATOM 525 CD LYS A 35 32.804 -14.535 15.029 1.00 0.00 C ATOM 526 CE LYS A 35 33.488 -13.223 14.637 1.00 0.00 C ATOM 527 NZ LYS A 35 33.872 -12.409 15.818 1.00 0.00 N ATOM 0 H LYS A 35 31.139 -18.997 14.460 1.00 0.00 H new ATOM 0 HA LYS A 35 30.603 -16.997 12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 35 30.890 -16.419 14.788 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.462 -17.192 14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.291 -15.493 13.144 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.720 -14.716 13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.919 -14.330 15.632 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.474 -15.138 15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.377 -13.443 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.818 -12.643 14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.708 -11.834 15.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.083 -11.784 16.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.094 -13.038 16.616 1.00 0.00 H new ATOM 541 N MET A 36 33.357 -18.792 12.451 1.00 0.00 N ATOM 542 CA MET A 36 34.509 -19.266 11.669 1.00 0.00 C ATOM 543 C MET A 36 34.092 -19.788 10.290 1.00 0.00 C ATOM 544 O MET A 36 34.766 -19.517 9.294 1.00 0.00 O ATOM 545 CB MET A 36 35.253 -20.364 12.446 1.00 0.00 C ATOM 546 CG MET A 36 36.012 -19.856 13.676 1.00 0.00 C ATOM 547 SD MET A 36 37.356 -18.706 13.273 1.00 0.00 S ATOM 548 CE MET A 36 38.231 -18.667 14.855 1.00 0.00 C ATOM 0 H MET A 36 33.293 -19.240 13.365 1.00 0.00 H new ATOM 0 HA MET A 36 35.172 -18.416 11.510 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.535 -21.120 12.763 1.00 0.00 H new ATOM 0 HB3 MET A 36 35.958 -20.855 11.775 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.310 -19.361 14.347 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.424 -20.708 14.217 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.091 -18.001 14.779 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.559 -18.305 15.633 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.571 -19.671 15.108 1.00 0.00 H new ATOM 558 N LYS A 37 32.953 -20.488 10.207 1.00 0.00 N ATOM 559 CA LYS A 37 32.387 -20.968 8.937 1.00 0.00 C ATOM 560 C LYS A 37 32.040 -19.806 7.999 1.00 0.00 C ATOM 561 O LYS A 37 32.395 -19.859 6.825 1.00 0.00 O ATOM 562 CB LYS A 37 31.172 -21.866 9.226 1.00 0.00 C ATOM 563 CG LYS A 37 31.636 -23.249 9.710 1.00 0.00 C ATOM 564 CD LYS A 37 30.507 -24.039 10.376 1.00 0.00 C ATOM 565 CE LYS A 37 31.026 -25.431 10.748 1.00 0.00 C ATOM 566 NZ LYS A 37 30.319 -25.965 11.924 1.00 0.00 N ATOM 0 H LYS A 37 32.394 -20.739 11.023 1.00 0.00 H new ATOM 0 HA LYS A 37 33.137 -21.562 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.539 -21.402 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.567 -21.972 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.024 -23.816 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.458 -23.128 10.416 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.157 -23.517 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.656 -24.123 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.896 -26.108 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.095 -25.380 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.566 -26.967 12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.598 -25.429 12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.293 -25.877 11.781 1.00 0.00 H new ATOM 580 N ARG A 38 31.427 -18.726 8.502 1.00 0.00 N ATOM 581 CA ARG A 38 31.098 -17.518 7.714 1.00 0.00 C ATOM 582 C ARG A 38 32.373 -16.828 7.225 1.00 0.00 C ATOM 583 O ARG A 38 32.451 -16.413 6.072 1.00 0.00 O ATOM 584 CB ARG A 38 30.246 -16.538 8.547 1.00 0.00 C ATOM 585 CG ARG A 38 28.978 -17.192 9.116 1.00 0.00 C ATOM 586 CD ARG A 38 28.232 -16.253 10.069 1.00 0.00 C ATOM 587 NE ARG A 38 27.317 -17.027 10.930 1.00 0.00 N ATOM 588 CZ ARG A 38 26.062 -16.761 11.242 1.00 0.00 C ATOM 589 NH1 ARG A 38 25.445 -15.696 10.812 1.00 0.00 N ATOM 590 NH2 ARG A 38 25.394 -17.574 12.008 1.00 0.00 N ATOM 0 H ARG A 38 31.140 -18.660 9.479 1.00 0.00 H new ATOM 0 HA ARG A 38 30.517 -17.829 6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.848 -16.147 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 38 29.964 -15.689 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.318 -17.478 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 38 29.247 -18.107 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.945 -15.704 10.684 1.00 0.00 H new ATOM 0 HD3 ARG A 38 27.669 -15.515 9.498 1.00 0.00 H new ATOM 0 HE ARG A 38 27.705 -17.878 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 38 25.933 -15.032 10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 38 24.474 -15.527 11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 38 25.840 -18.418 12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 38 24.424 -17.367 12.248 1.00 0.00 H new ATOM 604 N VAL A 39 33.380 -16.744 8.095 1.00 0.00 N ATOM 605 CA VAL A 39 34.694 -16.150 7.807 1.00 0.00 C ATOM 606 C VAL A 39 35.427 -16.899 6.687 1.00 0.00 C ATOM 607 O VAL A 39 35.825 -16.273 5.704 1.00 0.00 O ATOM 608 CB VAL A 39 35.537 -16.103 9.098 1.00 0.00 C ATOM 609 CG1 VAL A 39 36.966 -15.640 8.859 1.00 0.00 C ATOM 610 CG2 VAL A 39 34.966 -15.111 10.105 1.00 0.00 C ATOM 0 H VAL A 39 33.306 -17.097 9.049 1.00 0.00 H new ATOM 0 HA VAL A 39 34.539 -15.132 7.450 1.00 0.00 H new ATOM 0 HB VAL A 39 35.517 -17.128 9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.508 -15.628 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.459 -16.323 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 36.957 -14.637 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.586 -15.105 11.002 1.00 0.00 H new ATOM 0 HG22 VAL A 39 34.953 -14.113 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.950 -15.404 10.368 1.00 0.00 H new ATOM 620 N VAL A 40 35.587 -18.227 6.787 1.00 0.00 N ATOM 621 CA VAL A 40 36.259 -19.000 5.725 1.00 0.00 C ATOM 622 C VAL A 40 35.447 -18.957 4.422 1.00 0.00 C ATOM 623 O VAL A 40 36.028 -18.732 3.363 1.00 0.00 O ATOM 624 CB VAL A 40 36.633 -20.428 6.178 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.478 -21.432 6.166 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.766 -20.971 5.300 1.00 0.00 C ATOM 0 H VAL A 40 35.266 -18.784 7.579 1.00 0.00 H new ATOM 0 HA VAL A 40 37.214 -18.520 5.513 1.00 0.00 H new ATOM 0 HB VAL A 40 36.940 -20.326 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.838 -22.405 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.690 -21.088 6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.082 -21.519 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.026 -21.979 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.440 -20.997 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.639 -20.324 5.391 1.00 0.00 H new ATOM 636 N GLN A 41 34.112 -19.095 4.482 1.00 0.00 N ATOM 637 CA GLN A 41 33.210 -18.979 3.322 1.00 0.00 C ATOM 638 C GLN A 41 33.368 -17.630 2.609 1.00 0.00 C ATOM 639 O GLN A 41 33.423 -17.601 1.378 1.00 0.00 O ATOM 640 CB GLN A 41 31.746 -19.144 3.757 1.00 0.00 C ATOM 641 CG GLN A 41 31.330 -20.596 4.039 1.00 0.00 C ATOM 642 CD GLN A 41 31.085 -21.374 2.749 1.00 0.00 C ATOM 643 OE1 GLN A 41 30.053 -21.260 2.100 1.00 0.00 O ATOM 644 NE2 GLN A 41 32.024 -22.190 2.323 1.00 0.00 N ATOM 0 H GLN A 41 33.620 -19.294 5.353 1.00 0.00 H new ATOM 0 HA GLN A 41 33.483 -19.774 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.577 -18.549 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.100 -18.738 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.108 -21.091 4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.425 -20.604 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.889 -22.294 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.888 -22.719 1.461 1.00 0.00 H new ATOM 653 N HIS A 42 33.476 -16.523 3.359 1.00 0.00 N ATOM 654 CA HIS A 42 33.725 -15.201 2.779 1.00 0.00 C ATOM 655 C HIS A 42 35.032 -15.225 1.968 1.00 0.00 C ATOM 656 O HIS A 42 35.022 -14.956 0.766 1.00 0.00 O ATOM 657 CB HIS A 42 33.759 -14.106 3.872 1.00 0.00 C ATOM 658 CG HIS A 42 34.484 -12.858 3.411 1.00 0.00 C ATOM 659 ND1 HIS A 42 34.003 -11.931 2.512 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.842 -12.668 3.489 1.00 0.00 C ATOM 661 CE1 HIS A 42 35.052 -11.244 2.025 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.199 -11.678 2.572 1.00 0.00 N ATOM 0 H HIS A 42 33.394 -16.521 4.376 1.00 0.00 H new ATOM 0 HA HIS A 42 32.904 -14.955 2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.739 -13.847 4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.248 -14.500 4.763 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.025 -11.791 2.260 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.518 -13.194 4.147 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.981 -10.452 1.294 1.00 0.00 H new ATOM 670 N THR A 43 36.148 -15.583 2.609 1.00 0.00 N ATOM 671 CA THR A 43 37.474 -15.591 1.978 1.00 0.00 C ATOM 672 C THR A 43 37.543 -16.508 0.757 1.00 0.00 C ATOM 673 O THR A 43 38.147 -16.139 -0.254 1.00 0.00 O ATOM 674 CB THR A 43 38.542 -15.949 3.017 1.00 0.00 C ATOM 675 OG1 THR A 43 38.709 -14.866 3.897 1.00 0.00 O ATOM 676 CG2 THR A 43 39.898 -16.272 2.401 1.00 0.00 C ATOM 0 H THR A 43 36.159 -15.877 3.586 1.00 0.00 H new ATOM 0 HA THR A 43 37.669 -14.586 1.603 1.00 0.00 H new ATOM 0 HB THR A 43 38.190 -16.843 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.963 -14.067 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.608 -16.517 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.798 -17.123 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.259 -15.408 1.844 1.00 0.00 H new ATOM 684 N LYS A 44 36.879 -17.672 0.829 1.00 0.00 N ATOM 685 CA LYS A 44 36.758 -18.685 -0.236 1.00 0.00 C ATOM 686 C LYS A 44 36.113 -18.166 -1.533 1.00 0.00 C ATOM 687 O LYS A 44 36.263 -18.808 -2.574 1.00 0.00 O ATOM 688 CB LYS A 44 35.975 -19.890 0.325 1.00 0.00 C ATOM 689 CG LYS A 44 36.872 -20.896 1.060 1.00 0.00 C ATOM 690 CD LYS A 44 36.013 -21.936 1.801 1.00 0.00 C ATOM 691 CE LYS A 44 36.844 -23.096 2.371 1.00 0.00 C ATOM 692 NZ LYS A 44 37.321 -24.027 1.311 1.00 0.00 N ATOM 0 H LYS A 44 36.384 -17.949 1.677 1.00 0.00 H new ATOM 0 HA LYS A 44 37.768 -18.976 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.205 -19.531 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.463 -20.397 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.528 -21.397 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.513 -20.372 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.477 -21.445 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.262 -22.334 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.702 -22.694 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.243 -23.649 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 37.876 -24.792 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.504 -24.433 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 37.917 -23.507 0.635 1.00 0.00 H new ATOM 706 N GLY A 45 35.424 -17.022 -1.490 1.00 0.00 N ATOM 707 CA GLY A 45 34.772 -16.382 -2.642 1.00 0.00 C ATOM 708 C GLY A 45 35.134 -14.901 -2.846 1.00 0.00 C ATOM 709 O GLY A 45 34.713 -14.312 -3.846 1.00 0.00 O ATOM 0 H GLY A 45 35.299 -16.497 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.036 -16.934 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.692 -16.465 -2.523 1.00 0.00 H new ATOM 713 N CYS A 46 35.902 -14.295 -1.933 1.00 0.00 N ATOM 714 CA CYS A 46 36.319 -12.898 -1.992 1.00 0.00 C ATOM 715 C CYS A 46 37.295 -12.625 -3.152 1.00 0.00 C ATOM 716 O CYS A 46 38.048 -13.501 -3.596 1.00 0.00 O ATOM 717 CB CYS A 46 36.854 -12.544 -0.598 1.00 0.00 C ATOM 718 SG CYS A 46 37.859 -11.025 -0.516 1.00 0.00 S ATOM 0 H CYS A 46 36.258 -14.782 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 46 35.483 -12.239 -2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 46 36.009 -12.439 0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 46 37.454 -13.378 -0.234 1.00 0.00 H new ATOM 0 HG CYS A 46 37.889 -10.590 0.709 1.00 0.00 H new ATOM 723 N LYS A 47 37.273 -11.375 -3.624 1.00 0.00 N ATOM 724 CA LYS A 47 38.089 -10.832 -4.722 1.00 0.00 C ATOM 725 C LYS A 47 38.949 -9.639 -4.270 1.00 0.00 C ATOM 726 O LYS A 47 39.597 -9.005 -5.106 1.00 0.00 O ATOM 727 CB LYS A 47 37.171 -10.452 -5.905 1.00 0.00 C ATOM 728 CG LYS A 47 36.238 -11.568 -6.414 1.00 0.00 C ATOM 729 CD LYS A 47 36.984 -12.788 -6.978 1.00 0.00 C ATOM 730 CE LYS A 47 35.971 -13.848 -7.426 1.00 0.00 C ATOM 731 NZ LYS A 47 36.646 -15.046 -7.989 1.00 0.00 N ATOM 0 H LYS A 47 36.650 -10.671 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 47 38.787 -11.604 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 36.559 -9.600 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 37.796 -10.121 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.595 -11.893 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.588 -11.161 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 47 37.608 -12.488 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 47 37.649 -13.203 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 35.353 -14.143 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 47 35.303 -13.421 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.931 -15.742 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 37.216 -14.768 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 37.264 -15.468 -7.267 1.00 0.00 H new ATOM 745 N ARG A 48 38.976 -9.332 -2.963 1.00 0.00 N ATOM 746 CA ARG A 48 39.749 -8.236 -2.367 1.00 0.00 C ATOM 747 C ARG A 48 41.088 -8.748 -1.819 1.00 0.00 C ATOM 748 O ARG A 48 42.128 -8.352 -2.343 1.00 0.00 O ATOM 749 CB ARG A 48 38.928 -7.596 -1.234 1.00 0.00 C ATOM 750 CG ARG A 48 37.568 -7.005 -1.599 1.00 0.00 C ATOM 751 CD ARG A 48 36.890 -6.352 -0.381 1.00 0.00 C ATOM 752 NE ARG A 48 36.706 -7.288 0.751 1.00 0.00 N ATOM 753 CZ ARG A 48 35.709 -7.341 1.613 1.00 0.00 C ATOM 754 NH1 ARG A 48 34.661 -6.566 1.566 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.766 -8.198 2.575 1.00 0.00 N ATOM 0 H ARG A 48 38.442 -9.859 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 48 39.959 -7.493 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.771 -8.351 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 48 39.530 -6.805 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.693 -6.263 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 48 36.925 -7.789 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 48 37.490 -5.504 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 48 35.919 -5.958 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 48 37.444 -7.980 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 48 34.577 -5.865 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 48 33.925 -6.661 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.571 -8.818 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 48 35.006 -8.256 3.253 1.00 0.00 H new ATOM 769 N LYS A 49 41.058 -9.619 -0.795 1.00 0.00 N ATOM 770 CA LYS A 49 42.210 -10.174 -0.046 1.00 0.00 C ATOM 771 C LYS A 49 43.285 -9.151 0.400 1.00 0.00 C ATOM 772 O LYS A 49 43.125 -7.938 0.242 1.00 0.00 O ATOM 773 CB LYS A 49 42.719 -11.528 -0.611 1.00 0.00 C ATOM 774 CG LYS A 49 42.567 -11.823 -2.113 1.00 0.00 C ATOM 775 CD LYS A 49 41.174 -12.322 -2.552 1.00 0.00 C ATOM 776 CE LYS A 49 40.688 -13.598 -1.845 1.00 0.00 C ATOM 777 NZ LYS A 49 39.826 -13.324 -0.671 1.00 0.00 N ATOM 0 H LYS A 49 40.172 -9.981 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 49 41.801 -10.446 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.779 -11.607 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 49 42.207 -12.322 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.801 -10.916 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.308 -12.571 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.448 -11.528 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 49 41.192 -12.504 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 49 40.136 -14.212 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.552 -14.180 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 39.171 -14.119 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 40.419 -13.208 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 39.283 -12.453 -0.835 1.00 0.00 H new ATOM 791 N THR A 50 44.375 -9.616 1.018 1.00 0.00 N ATOM 792 CA THR A 50 45.477 -8.786 1.560 1.00 0.00 C ATOM 793 C THR A 50 46.093 -7.829 0.538 1.00 0.00 C ATOM 794 O THR A 50 46.295 -6.651 0.832 1.00 0.00 O ATOM 795 CB THR A 50 46.604 -9.673 2.112 1.00 0.00 C ATOM 796 OG1 THR A 50 46.940 -10.659 1.166 1.00 0.00 O ATOM 797 CG2 THR A 50 46.197 -10.391 3.389 1.00 0.00 C ATOM 0 H THR A 50 44.528 -10.614 1.164 1.00 0.00 H new ATOM 0 HA THR A 50 45.018 -8.189 2.348 1.00 0.00 H new ATOM 0 HB THR A 50 47.446 -9.015 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.541 -11.315 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 50 47.026 -11.005 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.939 -9.657 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.334 -11.026 3.190 1.00 0.00 H new ATOM 805 N ASN A 51 46.375 -8.323 -0.672 1.00 0.00 N ATOM 806 CA ASN A 51 46.953 -7.553 -1.781 1.00 0.00 C ATOM 807 C ASN A 51 46.005 -6.491 -2.392 1.00 0.00 C ATOM 808 O ASN A 51 46.465 -5.657 -3.176 1.00 0.00 O ATOM 809 CB ASN A 51 47.540 -8.507 -2.841 1.00 0.00 C ATOM 810 CG ASN A 51 46.673 -9.720 -3.120 1.00 0.00 C ATOM 811 OD1 ASN A 51 45.716 -9.682 -3.880 1.00 0.00 O ATOM 812 ND2 ASN A 51 46.981 -10.822 -2.478 1.00 0.00 N ATOM 0 H ASN A 51 46.203 -9.299 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 51 47.763 -6.960 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 51 47.688 -7.956 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 51 48.523 -8.843 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 51 46.419 -11.663 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 51 47.783 -10.838 -1.847 1.00 0.00 H new ATOM 819 N GLY A 52 44.713 -6.483 -2.032 1.00 0.00 N ATOM 820 CA GLY A 52 43.721 -5.504 -2.505 1.00 0.00 C ATOM 821 C GLY A 52 43.199 -4.572 -1.402 1.00 0.00 C ATOM 822 O GLY A 52 42.975 -3.388 -1.669 1.00 0.00 O ATOM 0 H GLY A 52 44.320 -7.171 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 52 44.167 -4.902 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 52 42.879 -6.037 -2.946 1.00 0.00 H new ATOM 826 N GLY A 53 43.040 -5.067 -0.166 1.00 0.00 N ATOM 827 CA GLY A 53 42.621 -4.268 0.999 1.00 0.00 C ATOM 828 C GLY A 53 41.616 -4.919 1.963 1.00 0.00 C ATOM 829 O GLY A 53 41.189 -4.252 2.909 1.00 0.00 O ATOM 0 H GLY A 53 43.201 -6.049 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.513 -4.003 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.187 -3.337 0.634 1.00 0.00 H new ATOM 833 N CYS A 54 41.213 -6.177 1.746 1.00 0.00 N ATOM 834 CA CYS A 54 40.236 -6.883 2.577 1.00 0.00 C ATOM 835 C CYS A 54 40.638 -6.996 4.064 1.00 0.00 C ATOM 836 O CYS A 54 41.721 -7.524 4.361 1.00 0.00 O ATOM 837 CB CYS A 54 40.087 -8.282 1.996 1.00 0.00 C ATOM 838 SG CYS A 54 38.603 -9.101 2.613 1.00 0.00 S ATOM 0 H CYS A 54 41.565 -6.741 0.973 1.00 0.00 H new ATOM 0 HA CYS A 54 39.308 -6.312 2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 54 40.045 -8.223 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.964 -8.877 2.249 1.00 0.00 H new ATOM 0 HG CYS A 54 38.749 -10.390 2.523 1.00 0.00 H new ATOM 843 N PRO A 55 39.798 -6.542 5.014 1.00 0.00 N ATOM 844 CA PRO A 55 40.094 -6.681 6.430 1.00 0.00 C ATOM 845 C PRO A 55 39.762 -8.088 6.949 1.00 0.00 C ATOM 846 O PRO A 55 40.375 -8.516 7.926 1.00 0.00 O ATOM 847 CB PRO A 55 39.219 -5.626 7.111 1.00 0.00 C ATOM 848 CG PRO A 55 37.963 -5.618 6.239 1.00 0.00 C ATOM 849 CD PRO A 55 38.509 -5.883 4.831 1.00 0.00 C ATOM 0 HA PRO A 55 41.155 -6.541 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 55 38.993 -5.892 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.704 -4.650 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.255 -6.387 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.441 -4.663 6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.827 -6.513 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.623 -4.952 4.276 1.00 0.00 H new ATOM 857 N VAL A 56 38.829 -8.819 6.316 1.00 0.00 N ATOM 858 CA VAL A 56 38.447 -10.170 6.751 1.00 0.00 C ATOM 859 C VAL A 56 39.527 -11.169 6.372 1.00 0.00 C ATOM 860 O VAL A 56 40.086 -11.777 7.285 1.00 0.00 O ATOM 861 CB VAL A 56 37.080 -10.636 6.218 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.721 -12.009 6.810 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.956 -9.672 6.614 1.00 0.00 C ATOM 0 H VAL A 56 38.322 -8.491 5.494 1.00 0.00 H new ATOM 0 HA VAL A 56 38.346 -10.120 7.835 1.00 0.00 H new ATOM 0 HB VAL A 56 37.166 -10.678 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.752 -12.329 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.481 -12.737 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.675 -11.936 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 56 35.008 -10.037 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.896 -9.610 7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.164 -8.683 6.205 1.00 0.00 H new ATOM 873 N CYS A 57 39.857 -11.315 5.082 1.00 0.00 N ATOM 874 CA CYS A 57 40.882 -12.241 4.612 1.00 0.00 C ATOM 875 C CYS A 57 42.180 -12.125 5.422 1.00 0.00 C ATOM 876 O CYS A 57 42.654 -13.119 5.978 1.00 0.00 O ATOM 877 CB CYS A 57 41.120 -12.000 3.120 1.00 0.00 C ATOM 878 SG CYS A 57 39.684 -12.550 2.154 1.00 0.00 S ATOM 0 H CYS A 57 39.412 -10.786 4.332 1.00 0.00 H new ATOM 0 HA CYS A 57 40.530 -13.262 4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.303 -10.941 2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 57 42.012 -12.537 2.796 1.00 0.00 H new ATOM 0 HG CYS A 57 39.413 -11.668 1.239 1.00 0.00 H new ATOM 883 N LYS A 58 42.722 -10.904 5.551 1.00 0.00 N ATOM 884 CA LYS A 58 43.920 -10.579 6.311 1.00 0.00 C ATOM 885 C LYS A 58 43.869 -11.065 7.768 1.00 0.00 C ATOM 886 O LYS A 58 44.891 -11.499 8.303 1.00 0.00 O ATOM 887 CB LYS A 58 44.078 -9.056 6.185 1.00 0.00 C ATOM 888 CG LYS A 58 45.442 -8.603 6.681 1.00 0.00 C ATOM 889 CD LYS A 58 45.790 -7.193 6.178 1.00 0.00 C ATOM 890 CE LYS A 58 47.134 -6.724 6.747 1.00 0.00 C ATOM 891 NZ LYS A 58 47.461 -5.339 6.314 1.00 0.00 N ATOM 0 H LYS A 58 42.311 -10.084 5.104 1.00 0.00 H new ATOM 0 HA LYS A 58 44.790 -11.101 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.949 -8.759 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.296 -8.558 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.455 -8.614 7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.203 -9.307 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.831 -7.191 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 58 45.005 -6.495 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.103 -6.767 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.923 -7.403 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.377 -5.056 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.515 -5.303 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.721 -4.688 6.645 1.00 0.00 H new ATOM 905 N GLN A 59 42.687 -11.049 8.392 1.00 0.00 N ATOM 906 CA GLN A 59 42.472 -11.537 9.757 1.00 0.00 C ATOM 907 C GLN A 59 42.731 -13.048 9.865 1.00 0.00 C ATOM 908 O GLN A 59 43.401 -13.477 10.807 1.00 0.00 O ATOM 909 CB GLN A 59 41.051 -11.174 10.238 1.00 0.00 C ATOM 910 CG GLN A 59 41.023 -10.770 11.722 1.00 0.00 C ATOM 911 CD GLN A 59 41.603 -9.374 12.000 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.277 -8.757 11.188 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.363 -8.804 13.160 1.00 0.00 N ATOM 0 H GLN A 59 41.838 -10.690 7.955 1.00 0.00 H new ATOM 0 HA GLN A 59 43.192 -11.044 10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.663 -10.354 9.633 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.389 -12.026 10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 59 39.993 -10.802 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.582 -11.506 12.299 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.804 -9.290 13.861 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.736 -7.876 13.359 1.00 0.00 H new ATOM 922 N LEU A 60 42.266 -13.849 8.891 1.00 0.00 N ATOM 923 CA LEU A 60 42.542 -15.294 8.849 1.00 0.00 C ATOM 924 C LEU A 60 44.038 -15.532 8.672 1.00 0.00 C ATOM 925 O LEU A 60 44.593 -16.367 9.379 1.00 0.00 O ATOM 926 CB LEU A 60 41.868 -16.049 7.683 1.00 0.00 C ATOM 927 CG LEU A 60 40.339 -16.145 7.651 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.730 -14.791 7.325 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.935 -17.141 6.560 1.00 0.00 C ATOM 0 H LEU A 60 41.692 -13.515 8.116 1.00 0.00 H new ATOM 0 HA LEU A 60 42.143 -15.670 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.188 -15.576 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.263 -17.065 7.676 1.00 0.00 H new ATOM 0 HG LEU A 60 39.980 -16.472 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.643 -14.876 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 60 40.024 -14.067 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 60 40.085 -14.458 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.849 -17.221 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.305 -16.794 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.363 -18.118 6.783 1.00 0.00 H new ATOM 941 N ILE A 61 44.685 -14.832 7.728 1.00 0.00 N ATOM 942 CA ILE A 61 46.115 -15.043 7.440 1.00 0.00 C ATOM 943 C ILE A 61 46.972 -14.921 8.697 1.00 0.00 C ATOM 944 O ILE A 61 47.817 -15.781 8.915 1.00 0.00 O ATOM 945 CB ILE A 61 46.697 -14.125 6.339 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.796 -13.850 5.135 1.00 0.00 C ATOM 947 CG2 ILE A 61 48.003 -14.733 5.794 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.410 -15.122 4.397 1.00 0.00 C ATOM 0 H ILE A 61 44.243 -14.116 7.151 1.00 0.00 H new ATOM 0 HA ILE A 61 46.156 -16.062 7.056 1.00 0.00 H new ATOM 0 HB ILE A 61 46.836 -13.170 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 61 44.893 -13.339 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 61 46.308 -13.176 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 61 48.411 -14.084 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.726 -14.828 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.798 -15.717 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.770 -14.872 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.310 -15.621 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 61 44.873 -15.787 5.074 1.00 0.00 H new ATOM 960 N ALA A 62 46.761 -13.901 9.538 1.00 0.00 N ATOM 961 CA ALA A 62 47.528 -13.733 10.777 1.00 0.00 C ATOM 962 C ALA A 62 47.356 -14.966 11.681 1.00 0.00 C ATOM 963 O ALA A 62 48.326 -15.615 12.080 1.00 0.00 O ATOM 964 CB ALA A 62 47.062 -12.445 11.477 1.00 0.00 C ATOM 0 H ALA A 62 46.061 -13.176 9.381 1.00 0.00 H new ATOM 0 HA ALA A 62 48.591 -13.644 10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.625 -12.309 12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.231 -11.592 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 62 45.999 -12.520 11.708 1.00 0.00 H new ATOM 970 N LEU A 63 46.096 -15.306 11.951 1.00 0.00 N ATOM 971 CA LEU A 63 45.668 -16.444 12.761 1.00 0.00 C ATOM 972 C LEU A 63 46.277 -17.768 12.253 1.00 0.00 C ATOM 973 O LEU A 63 46.772 -18.579 13.038 1.00 0.00 O ATOM 974 CB LEU A 63 44.123 -16.416 12.750 1.00 0.00 C ATOM 975 CG LEU A 63 43.479 -16.738 14.103 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.074 -16.136 14.157 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.383 -18.242 14.314 1.00 0.00 C ATOM 0 H LEU A 63 45.307 -14.768 11.592 1.00 0.00 H new ATOM 0 HA LEU A 63 46.028 -16.374 13.787 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.791 -15.429 12.428 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.763 -17.131 12.010 1.00 0.00 H new ATOM 0 HG LEU A 63 44.102 -16.311 14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.617 -16.365 15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.136 -15.055 14.033 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.466 -16.558 13.357 1.00 0.00 H new ATOM 0 HD21 LEU A 63 42.923 -18.445 15.281 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.776 -18.682 13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.382 -18.677 14.289 1.00 0.00 H new ATOM 989 N CYS A 64 46.297 -17.957 10.930 1.00 0.00 N ATOM 990 CA CYS A 64 46.893 -19.108 10.258 1.00 0.00 C ATOM 991 C CYS A 64 48.430 -19.084 10.323 1.00 0.00 C ATOM 992 O CYS A 64 49.013 -20.119 10.614 1.00 0.00 O ATOM 993 CB CYS A 64 46.407 -19.174 8.805 1.00 0.00 C ATOM 994 SG CYS A 64 44.612 -19.451 8.754 1.00 0.00 S ATOM 0 H CYS A 64 45.884 -17.289 10.279 1.00 0.00 H new ATOM 0 HA CYS A 64 46.570 -20.007 10.783 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.654 -18.246 8.289 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.921 -19.978 8.278 1.00 0.00 H new ATOM 0 HG CYS A 64 43.993 -18.331 8.985 1.00 0.00 H new ATOM 1000 N CYS A 65 49.100 -17.942 10.112 1.00 0.00 N ATOM 1001 CA CYS A 65 50.565 -17.810 10.203 1.00 0.00 C ATOM 1002 C CYS A 65 51.086 -18.246 11.579 1.00 0.00 C ATOM 1003 O CYS A 65 52.061 -18.993 11.660 1.00 0.00 O ATOM 1004 CB CYS A 65 50.988 -16.356 9.954 1.00 0.00 C ATOM 1005 SG CYS A 65 50.850 -15.891 8.211 1.00 0.00 S ATOM 0 H CYS A 65 48.633 -17.068 9.869 1.00 0.00 H new ATOM 0 HA CYS A 65 50.994 -18.460 9.441 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.368 -15.691 10.555 1.00 0.00 H new ATOM 0 HB3 CYS A 65 52.017 -16.218 10.285 1.00 0.00 H new ATOM 0 HG CYS A 65 50.682 -14.605 8.117 1.00 0.00 H new ATOM 1011 N TYR A 66 50.416 -17.805 12.653 1.00 0.00 N ATOM 1012 CA TYR A 66 50.737 -18.131 14.051 1.00 0.00 C ATOM 1013 C TYR A 66 50.735 -19.648 14.323 1.00 0.00 C ATOM 1014 O TYR A 66 51.498 -20.139 15.155 1.00 0.00 O ATOM 1015 CB TYR A 66 49.715 -17.417 14.945 1.00 0.00 C ATOM 1016 CG TYR A 66 50.120 -17.189 16.391 1.00 0.00 C ATOM 1017 CD1 TYR A 66 49.870 -18.166 17.372 1.00 0.00 C ATOM 1018 CD2 TYR A 66 50.639 -15.938 16.772 1.00 0.00 C ATOM 1019 CE1 TYR A 66 50.070 -17.869 18.735 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.787 -15.615 18.133 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.504 -16.582 19.120 1.00 0.00 C ATOM 1022 OH TYR A 66 50.655 -16.276 20.437 1.00 0.00 O ATOM 0 H TYR A 66 49.607 -17.190 12.570 1.00 0.00 H new ATOM 0 HA TYR A 66 51.749 -17.791 14.270 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.488 -16.449 14.498 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.792 -17.996 14.937 1.00 0.00 H new ATOM 0 HD1 TYR A 66 49.524 -19.146 17.080 1.00 0.00 H new ATOM 0 HD2 TYR A 66 50.925 -15.222 16.016 1.00 0.00 H new ATOM 0 HE1 TYR A 66 49.891 -18.626 19.485 1.00 0.00 H new ATOM 0 HE2 TYR A 66 51.117 -14.628 18.422 1.00 0.00 H new ATOM 0 HH TYR A 66 50.961 -15.349 20.524 1.00 0.00 H new ATOM 1032 N HIS A 67 49.907 -20.397 13.588 1.00 0.00 N ATOM 1033 CA HIS A 67 49.833 -21.854 13.650 1.00 0.00 C ATOM 1034 C HIS A 67 50.833 -22.491 12.656 1.00 0.00 C ATOM 1035 O HIS A 67 51.697 -23.266 13.063 1.00 0.00 O ATOM 1036 CB HIS A 67 48.376 -22.276 13.371 1.00 0.00 C ATOM 1037 CG HIS A 67 48.229 -23.762 13.175 1.00 0.00 C ATOM 1038 ND1 HIS A 67 48.212 -24.729 14.157 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.318 -24.406 11.970 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.343 -25.928 13.557 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.428 -25.779 12.226 1.00 0.00 N ATOM 0 H HIS A 67 49.254 -19.993 12.917 1.00 0.00 H new ATOM 0 HA HIS A 67 50.116 -22.211 14.640 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.745 -21.959 14.201 1.00 0.00 H new ATOM 0 HB3 HIS A 67 48.016 -21.759 12.481 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.306 -23.939 10.996 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.375 -26.876 14.074 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.549 -26.520 11.536 1.00 0.00 H new ATOM 1049 N ALA A 68 50.747 -22.137 11.369 1.00 0.00 N ATOM 1050 CA ALA A 68 51.547 -22.647 10.257 1.00 0.00 C ATOM 1051 C ALA A 68 53.068 -22.591 10.459 1.00 0.00 C ATOM 1052 O ALA A 68 53.772 -23.513 10.041 1.00 0.00 O ATOM 1053 CB ALA A 68 51.145 -21.870 9.001 1.00 0.00 C ATOM 0 H ALA A 68 50.070 -21.440 11.059 1.00 0.00 H new ATOM 0 HA ALA A 68 51.331 -23.712 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.726 -22.228 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.083 -22.020 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.339 -20.808 9.152 1.00 0.00 H new ATOM 1059 N LYS A 69 53.596 -21.538 11.103 1.00 0.00 N ATOM 1060 CA LYS A 69 55.039 -21.410 11.380 1.00 0.00 C ATOM 1061 C LYS A 69 55.589 -22.563 12.213 1.00 0.00 C ATOM 1062 O LYS A 69 56.636 -23.138 11.919 1.00 0.00 O ATOM 1063 CB LYS A 69 55.330 -20.072 12.059 1.00 0.00 C ATOM 1064 CG LYS A 69 54.677 -19.753 13.416 1.00 0.00 C ATOM 1065 CD LYS A 69 54.866 -18.279 13.831 1.00 0.00 C ATOM 1066 CE LYS A 69 56.341 -17.856 13.974 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.025 -18.531 15.113 1.00 0.00 N ATOM 0 H LYS A 69 53.040 -20.755 11.445 1.00 0.00 H new ATOM 0 HA LYS A 69 55.551 -21.449 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 69 56.410 -20.001 12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.041 -19.283 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 69 53.612 -19.979 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 69 55.104 -20.400 14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.384 -17.639 13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 69 54.356 -18.110 14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.872 -18.085 13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.393 -16.776 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 57.262 -17.828 15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 56.394 -19.251 15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.897 -18.986 14.774 1.00 0.00 H new ATOM 1081 N HIS A 70 54.837 -22.877 13.252 1.00 0.00 N ATOM 1082 CA HIS A 70 55.062 -23.980 14.190 1.00 0.00 C ATOM 1083 C HIS A 70 54.605 -25.349 13.626 1.00 0.00 C ATOM 1084 O HIS A 70 54.991 -26.388 14.171 1.00 0.00 O ATOM 1085 CB HIS A 70 54.310 -23.678 15.500 1.00 0.00 C ATOM 1086 CG HIS A 70 54.662 -22.355 16.143 1.00 0.00 C ATOM 1087 ND1 HIS A 70 53.799 -21.307 16.386 1.00 0.00 N ATOM 1088 CD2 HIS A 70 55.895 -21.968 16.601 1.00 0.00 C ATOM 1089 CE1 HIS A 70 54.487 -20.319 16.978 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.780 -20.664 17.112 1.00 0.00 N ATOM 0 H HIS A 70 54.001 -22.341 13.484 1.00 0.00 H new ATOM 0 HA HIS A 70 56.135 -24.055 14.366 1.00 0.00 H new ATOM 0 HB2 HIS A 70 53.239 -23.695 15.300 1.00 0.00 H new ATOM 0 HB3 HIS A 70 54.514 -24.478 16.212 1.00 0.00 H new ATOM 0 HD1 HIS A 70 52.806 -21.287 16.155 1.00 0.00 H new ATOM 0 HD2 HIS A 70 56.797 -22.562 16.574 1.00 0.00 H new ATOM 0 HE1 HIS A 70 54.063 -19.380 17.301 1.00 0.00 H new ATOM 1098 N CYS A 71 53.793 -25.364 12.559 1.00 0.00 N ATOM 1099 CA CYS A 71 53.247 -26.589 11.947 1.00 0.00 C ATOM 1100 C CYS A 71 54.247 -27.312 11.015 1.00 0.00 C ATOM 1101 O CYS A 71 55.199 -26.720 10.494 1.00 0.00 O ATOM 1102 CB CYS A 71 51.932 -26.252 11.221 1.00 0.00 C ATOM 1103 SG CYS A 71 50.938 -27.754 10.927 1.00 0.00 S ATOM 0 H CYS A 71 53.491 -24.512 12.087 1.00 0.00 H new ATOM 0 HA CYS A 71 53.049 -27.299 12.750 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.357 -25.542 11.816 1.00 0.00 H new ATOM 0 HB3 CYS A 71 52.152 -25.766 10.270 1.00 0.00 H new ATOM 0 HG CYS A 71 50.147 -27.956 11.939 1.00 0.00 H new ATOM 1108 N GLN A 72 54.020 -28.608 10.786 1.00 0.00 N ATOM 1109 CA GLN A 72 54.839 -29.486 9.933 1.00 0.00 C ATOM 1110 C GLN A 72 54.024 -30.520 9.123 1.00 0.00 C ATOM 1111 O GLN A 72 54.592 -31.223 8.284 1.00 0.00 O ATOM 1112 CB GLN A 72 55.887 -30.217 10.794 1.00 0.00 C ATOM 1113 CG GLN A 72 56.961 -29.281 11.374 1.00 0.00 C ATOM 1114 CD GLN A 72 58.007 -30.060 12.164 1.00 0.00 C ATOM 1115 OE1 GLN A 72 59.152 -30.225 11.760 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.643 -30.577 13.317 1.00 0.00 N ATOM 0 H GLN A 72 53.230 -29.098 11.205 1.00 0.00 H new ATOM 0 HA GLN A 72 55.319 -28.835 9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.381 -30.729 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.372 -30.984 10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.446 -28.735 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.490 -28.541 12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.691 -30.443 13.658 1.00 0.00 H new ATOM 0 HE22 GLN A 72 58.312 -31.112 13.870 1.00 0.00 H new ATOM 1125 N GLU A 73 52.710 -30.643 9.346 1.00 0.00 N ATOM 1126 CA GLU A 73 51.852 -31.612 8.648 1.00 0.00 C ATOM 1127 C GLU A 73 51.531 -31.181 7.205 1.00 0.00 C ATOM 1128 O GLU A 73 51.423 -29.993 6.901 1.00 0.00 O ATOM 1129 CB GLU A 73 50.576 -31.820 9.482 1.00 0.00 C ATOM 1130 CG GLU A 73 49.653 -32.967 9.051 1.00 0.00 C ATOM 1131 CD GLU A 73 50.386 -34.313 8.954 1.00 0.00 C ATOM 1132 OE1 GLU A 73 51.029 -34.551 7.904 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.301 -35.147 9.883 1.00 0.00 O ATOM 0 H GLU A 73 52.207 -30.068 10.022 1.00 0.00 H new ATOM 0 HA GLU A 73 52.386 -32.557 8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 73 50.870 -31.990 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.001 -30.894 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 73 48.833 -33.055 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.211 -32.728 8.084 1.00 0.00 H new ATOM 1140 N ASN A 74 51.332 -32.159 6.318 1.00 0.00 N ATOM 1141 CA ASN A 74 51.049 -31.948 4.885 1.00 0.00 C ATOM 1142 C ASN A 74 49.571 -32.179 4.512 1.00 0.00 C ATOM 1143 O ASN A 74 49.160 -31.952 3.372 1.00 0.00 O ATOM 1144 CB ASN A 74 51.999 -32.839 4.063 1.00 0.00 C ATOM 1145 CG ASN A 74 53.456 -32.435 4.224 1.00 0.00 C ATOM 1146 OD1 ASN A 74 53.874 -31.356 3.828 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.281 -33.280 4.802 1.00 0.00 N ATOM 0 H ASN A 74 51.363 -33.145 6.576 1.00 0.00 H new ATOM 0 HA ASN A 74 51.230 -30.899 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 74 51.876 -33.877 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 74 51.724 -32.784 3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.264 -33.034 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 74 53.938 -34.181 5.134 1.00 0.00 H new ATOM 1154 N LYS A 75 48.780 -32.636 5.488 1.00 0.00 N ATOM 1155 CA LYS A 75 47.351 -32.980 5.423 1.00 0.00 C ATOM 1156 C LYS A 75 46.501 -32.196 6.448 1.00 0.00 C ATOM 1157 O LYS A 75 45.385 -32.603 6.777 1.00 0.00 O ATOM 1158 CB LYS A 75 47.218 -34.505 5.618 1.00 0.00 C ATOM 1159 CG LYS A 75 48.127 -35.332 4.683 1.00 0.00 C ATOM 1160 CD LYS A 75 49.411 -35.893 5.313 1.00 0.00 C ATOM 1161 CE LYS A 75 49.162 -36.884 6.460 1.00 0.00 C ATOM 1162 NZ LYS A 75 50.426 -37.184 7.179 1.00 0.00 N ATOM 0 H LYS A 75 49.153 -32.789 6.425 1.00 0.00 H new ATOM 0 HA LYS A 75 46.959 -32.691 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.455 -34.752 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.181 -34.795 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 75 47.546 -36.165 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.406 -34.707 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 75 49.997 -36.389 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 75 50.012 -35.064 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 75 48.433 -36.468 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 48.735 -37.806 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.223 -37.788 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 51.080 -37.678 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 50.861 -36.296 7.501 1.00 0.00 H new ATOM 1176 N CYS A 76 47.049 -31.091 6.966 1.00 0.00 N ATOM 1177 CA CYS A 76 46.445 -30.198 7.961 1.00 0.00 C ATOM 1178 C CYS A 76 45.055 -29.691 7.465 1.00 0.00 C ATOM 1179 O CYS A 76 44.903 -29.424 6.266 1.00 0.00 O ATOM 1180 CB CYS A 76 47.485 -29.080 8.205 1.00 0.00 C ATOM 1181 SG CYS A 76 47.416 -28.396 9.891 1.00 0.00 S ATOM 0 H CYS A 76 47.979 -30.778 6.686 1.00 0.00 H new ATOM 0 HA CYS A 76 46.227 -30.694 8.907 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.484 -29.475 8.020 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.322 -28.277 7.486 1.00 0.00 H new ATOM 0 HG CYS A 76 48.621 -28.132 10.302 1.00 0.00 H new ATOM 1186 N PRO A 77 44.010 -29.582 8.313 1.00 0.00 N ATOM 1187 CA PRO A 77 42.662 -29.213 7.863 1.00 0.00 C ATOM 1188 C PRO A 77 42.486 -27.753 7.407 1.00 0.00 C ATOM 1189 O PRO A 77 41.621 -27.479 6.572 1.00 0.00 O ATOM 1190 CB PRO A 77 41.745 -29.534 9.047 1.00 0.00 C ATOM 1191 CG PRO A 77 42.660 -29.398 10.262 1.00 0.00 C ATOM 1192 CD PRO A 77 44.006 -29.887 9.734 1.00 0.00 C ATOM 0 HA PRO A 77 42.425 -29.775 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.904 -28.843 9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.329 -30.538 8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.714 -28.368 10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.311 -30.002 11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.830 -29.388 10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 77 44.127 -30.957 9.904 1.00 0.00 H new ATOM 1200 N VAL A 78 43.273 -26.809 7.933 1.00 0.00 N ATOM 1201 CA VAL A 78 43.188 -25.377 7.588 1.00 0.00 C ATOM 1202 C VAL A 78 43.730 -25.138 6.163 1.00 0.00 C ATOM 1203 O VAL A 78 44.852 -25.559 5.875 1.00 0.00 O ATOM 1204 CB VAL A 78 43.964 -24.539 8.621 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.883 -23.037 8.331 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.424 -24.754 10.044 1.00 0.00 C ATOM 0 H VAL A 78 43.998 -27.016 8.620 1.00 0.00 H new ATOM 0 HA VAL A 78 42.143 -25.066 7.609 1.00 0.00 H new ATOM 0 HB VAL A 78 44.998 -24.876 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.446 -22.490 9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.304 -22.833 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.841 -22.718 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.996 -24.147 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.375 -24.462 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.518 -25.806 10.314 1.00 0.00 H new ATOM 1216 N PRO A 79 42.990 -24.470 5.250 1.00 0.00 N ATOM 1217 CA PRO A 79 43.434 -24.274 3.863 1.00 0.00 C ATOM 1218 C PRO A 79 44.673 -23.375 3.716 1.00 0.00 C ATOM 1219 O PRO A 79 45.521 -23.617 2.852 1.00 0.00 O ATOM 1220 CB PRO A 79 42.218 -23.704 3.122 1.00 0.00 C ATOM 1221 CG PRO A 79 41.399 -23.024 4.218 1.00 0.00 C ATOM 1222 CD PRO A 79 41.660 -23.901 5.443 1.00 0.00 C ATOM 0 HA PRO A 79 43.767 -25.223 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.518 -22.995 2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.648 -24.490 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.721 -21.996 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.339 -22.989 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.615 -23.314 6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.908 -24.685 5.529 1.00 0.00 H new ATOM 1230 N PHE A 80 44.805 -22.341 4.551 1.00 0.00 N ATOM 1231 CA PHE A 80 45.958 -21.435 4.507 1.00 0.00 C ATOM 1232 C PHE A 80 47.215 -22.006 5.171 1.00 0.00 C ATOM 1233 O PHE A 80 48.308 -21.662 4.731 1.00 0.00 O ATOM 1234 CB PHE A 80 45.590 -20.068 5.092 1.00 0.00 C ATOM 1235 CG PHE A 80 45.024 -19.147 4.035 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.894 -18.402 3.212 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.635 -19.099 3.820 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.364 -17.606 2.180 1.00 0.00 C ATOM 1239 CE2 PHE A 80 43.111 -18.306 2.787 1.00 0.00 C ATOM 1240 CZ PHE A 80 43.973 -17.556 1.968 1.00 0.00 C ATOM 0 H PHE A 80 44.122 -22.108 5.272 1.00 0.00 H new ATOM 0 HA PHE A 80 46.214 -21.313 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.861 -20.198 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.474 -19.612 5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.961 -18.442 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.971 -19.673 4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 80 46.026 -17.032 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 80 42.044 -18.272 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.569 -16.942 1.177 1.00 0.00 H new ATOM 1250 N CYS A 81 47.091 -22.875 6.181 1.00 0.00 N ATOM 1251 CA CYS A 81 48.223 -23.486 6.874 1.00 0.00 C ATOM 1252 C CYS A 81 49.238 -24.123 5.904 1.00 0.00 C ATOM 1253 O CYS A 81 50.427 -23.788 5.944 1.00 0.00 O ATOM 1254 CB CYS A 81 47.648 -24.473 7.896 1.00 0.00 C ATOM 1255 SG CYS A 81 48.949 -25.316 8.830 1.00 0.00 S ATOM 0 H CYS A 81 46.186 -23.176 6.543 1.00 0.00 H new ATOM 0 HA CYS A 81 48.807 -22.726 7.393 1.00 0.00 H new ATOM 0 HB2 CYS A 81 46.993 -23.940 8.586 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.034 -25.212 7.381 1.00 0.00 H new ATOM 0 HG CYS A 81 48.494 -26.445 9.286 1.00 0.00 H new ATOM 1260 N LEU A 82 48.776 -24.976 4.975 1.00 0.00 N ATOM 1261 CA LEU A 82 49.635 -25.588 3.951 1.00 0.00 C ATOM 1262 C LEU A 82 50.330 -24.519 3.096 1.00 0.00 C ATOM 1263 O LEU A 82 51.554 -24.515 2.979 1.00 0.00 O ATOM 1264 CB LEU A 82 48.849 -26.543 3.026 1.00 0.00 C ATOM 1265 CG LEU A 82 48.266 -27.836 3.623 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.226 -28.576 4.555 1.00 0.00 C ATOM 1267 CD2 LEU A 82 46.959 -27.597 4.367 1.00 0.00 C ATOM 0 H LEU A 82 47.798 -25.260 4.914 1.00 0.00 H new ATOM 0 HA LEU A 82 50.385 -26.167 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.024 -25.978 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.509 -26.826 2.206 1.00 0.00 H new ATOM 0 HG LEU A 82 48.084 -28.465 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 82 48.743 -29.476 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.126 -28.852 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.495 -27.928 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 82 46.591 -28.541 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.129 -26.897 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.221 -27.182 3.681 1.00 0.00 H new ATOM 1279 N ASN A 83 49.556 -23.598 2.514 1.00 0.00 N ATOM 1280 CA ASN A 83 50.081 -22.531 1.662 1.00 0.00 C ATOM 1281 C ASN A 83 51.134 -21.669 2.379 1.00 0.00 C ATOM 1282 O ASN A 83 52.198 -21.412 1.815 1.00 0.00 O ATOM 1283 CB ASN A 83 48.907 -21.698 1.122 1.00 0.00 C ATOM 1284 CG ASN A 83 48.144 -22.452 0.048 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.601 -22.578 -1.079 1.00 0.00 O ATOM 1286 ND2 ASN A 83 46.991 -23.012 0.346 1.00 0.00 N ATOM 0 H ASN A 83 48.542 -23.573 2.622 1.00 0.00 H new ATOM 0 HA ASN A 83 50.609 -22.981 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 83 48.232 -21.443 1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 83 49.282 -20.759 0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.486 -23.546 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.603 -22.912 1.284 1.00 0.00 H new ATOM 1293 N ILE A 84 50.879 -21.259 3.626 1.00 0.00 N ATOM 1294 CA ILE A 84 51.813 -20.457 4.413 1.00 0.00 C ATOM 1295 C ILE A 84 53.051 -21.270 4.807 1.00 0.00 C ATOM 1296 O ILE A 84 54.163 -20.826 4.522 1.00 0.00 O ATOM 1297 CB ILE A 84 51.112 -19.829 5.638 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.950 -18.893 5.239 1.00 0.00 C ATOM 1299 CG2 ILE A 84 52.130 -19.054 6.497 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.971 -18.693 6.398 1.00 0.00 C ATOM 0 H ILE A 84 50.013 -21.477 4.118 1.00 0.00 H new ATOM 0 HA ILE A 84 52.162 -19.635 3.788 1.00 0.00 H new ATOM 0 HB ILE A 84 50.689 -20.651 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 84 50.349 -17.928 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.422 -19.311 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.622 -18.617 7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.908 -19.735 6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.581 -18.261 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 84 48.166 -18.029 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.554 -19.656 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.495 -18.251 7.245 1.00 0.00 H new ATOM 1312 N LYS A 85 52.912 -22.459 5.415 1.00 0.00 N ATOM 1313 CA LYS A 85 54.082 -23.270 5.808 1.00 0.00 C ATOM 1314 C LYS A 85 54.970 -23.601 4.608 1.00 0.00 C ATOM 1315 O LYS A 85 56.180 -23.433 4.703 1.00 0.00 O ATOM 1316 CB LYS A 85 53.698 -24.495 6.665 1.00 0.00 C ATOM 1317 CG LYS A 85 53.365 -25.781 5.885 1.00 0.00 C ATOM 1318 CD LYS A 85 52.801 -26.894 6.778 1.00 0.00 C ATOM 1319 CE LYS A 85 51.391 -26.507 7.219 1.00 0.00 C ATOM 1320 NZ LYS A 85 50.721 -27.525 8.039 1.00 0.00 N ATOM 0 H LYS A 85 52.011 -22.879 5.645 1.00 0.00 H new ATOM 0 HA LYS A 85 54.695 -22.656 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 85 54.520 -24.709 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.836 -24.230 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 85 52.642 -25.548 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.266 -26.142 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.780 -27.839 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 85 53.441 -27.040 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 85 51.441 -25.576 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 85 50.785 -26.312 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 49.719 -27.271 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.791 -28.450 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.178 -27.575 8.972 1.00 0.00 H new ATOM 1334 N HIS A 86 54.402 -23.989 3.462 1.00 0.00 N ATOM 1335 CA HIS A 86 55.185 -24.253 2.251 1.00 0.00 C ATOM 1336 C HIS A 86 55.951 -23.008 1.775 1.00 0.00 C ATOM 1337 O HIS A 86 57.130 -23.112 1.426 1.00 0.00 O ATOM 1338 CB HIS A 86 54.283 -24.791 1.140 1.00 0.00 C ATOM 1339 CG HIS A 86 53.822 -26.211 1.368 1.00 0.00 C ATOM 1340 ND1 HIS A 86 54.581 -27.288 1.778 1.00 0.00 N ATOM 1341 CD2 HIS A 86 52.553 -26.674 1.177 1.00 0.00 C ATOM 1342 CE1 HIS A 86 53.778 -28.364 1.850 1.00 0.00 C ATOM 1343 NE2 HIS A 86 52.523 -28.040 1.488 1.00 0.00 N ATOM 0 H HIS A 86 53.398 -24.128 3.348 1.00 0.00 H new ATOM 0 HA HIS A 86 55.928 -25.010 2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.410 -24.145 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 86 54.819 -24.740 0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 86 51.712 -26.086 0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 86 54.096 -29.350 2.155 1.00 0.00 H new ATOM 0 HE2 HIS A 86 51.715 -28.662 1.448 1.00 0.00 H new ATOM 1351 N LYS A 87 55.314 -21.829 1.787 1.00 0.00 N ATOM 1352 CA LYS A 87 55.929 -20.557 1.377 1.00 0.00 C ATOM 1353 C LYS A 87 57.066 -20.145 2.317 1.00 0.00 C ATOM 1354 O LYS A 87 58.125 -19.732 1.849 1.00 0.00 O ATOM 1355 CB LYS A 87 54.800 -19.521 1.261 1.00 0.00 C ATOM 1356 CG LYS A 87 55.217 -18.145 0.722 1.00 0.00 C ATOM 1357 CD LYS A 87 53.974 -17.456 0.132 1.00 0.00 C ATOM 1358 CE LYS A 87 54.151 -15.973 -0.199 1.00 0.00 C ATOM 1359 NZ LYS A 87 55.220 -15.735 -1.196 1.00 0.00 N ATOM 0 H LYS A 87 54.344 -21.730 2.086 1.00 0.00 H new ATOM 0 HA LYS A 87 56.417 -20.650 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.024 -19.926 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 87 54.352 -19.386 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.643 -17.538 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 87 55.988 -18.254 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.682 -17.983 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 87 53.151 -17.559 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 87 53.210 -15.575 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 87 54.383 -15.426 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 54.852 -15.137 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 56.022 -15.256 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 55.538 -16.644 -1.588 1.00 0.00 H new ATOM 1373 N LEU A 88 56.874 -20.302 3.630 1.00 0.00 N ATOM 1374 CA LEU A 88 57.884 -19.998 4.653 1.00 0.00 C ATOM 1375 C LEU A 88 59.056 -20.998 4.638 1.00 0.00 C ATOM 1376 O LEU A 88 60.210 -20.575 4.562 1.00 0.00 O ATOM 1377 CB LEU A 88 57.199 -19.948 6.034 1.00 0.00 C ATOM 1378 CG LEU A 88 56.599 -18.577 6.418 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.779 -17.899 5.312 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.719 -18.762 7.656 1.00 0.00 C ATOM 0 H LEU A 88 55.998 -20.650 4.020 1.00 0.00 H new ATOM 0 HA LEU A 88 58.322 -19.025 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.404 -20.694 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.926 -20.235 6.794 1.00 0.00 H new ATOM 0 HG LEU A 88 57.443 -17.914 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.399 -16.944 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 88 56.412 -17.731 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 88 54.942 -18.540 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.287 -17.803 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.920 -19.468 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 88 56.323 -19.147 8.478 1.00 0.00 H new ATOM 1704 N ASN B 722 32.992 -7.273 9.339 1.00 0.00 N ATOM 1705 CA ASN B 722 32.762 -7.517 10.773 1.00 0.00 C ATOM 1706 C ASN B 722 32.729 -9.001 11.179 1.00 0.00 C ATOM 1707 O ASN B 722 32.650 -9.314 12.367 1.00 0.00 O ATOM 1708 CB ASN B 722 31.502 -6.754 11.198 1.00 0.00 C ATOM 1709 CG ASN B 722 31.393 -6.577 12.705 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.431 -6.988 13.339 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.371 -5.951 13.326 1.00 0.00 N ATOM 0 HA ASN B 722 33.627 -7.138 11.318 1.00 0.00 H new ATOM 0 HB2 ASN B 722 31.500 -5.774 10.722 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.622 -7.286 10.836 1.00 0.00 H new ATOM 0 HD21 ASN B 722 32.326 -5.809 14.335 1.00 0.00 H new ATOM 0 HD22 ASN B 722 33.173 -5.608 12.798 1.00 0.00 H new ATOM 1718 N LEU B 723 32.876 -9.925 10.219 1.00 0.00 N ATOM 1719 CA LEU B 723 33.027 -11.362 10.483 1.00 0.00 C ATOM 1720 C LEU B 723 34.313 -11.669 11.286 1.00 0.00 C ATOM 1721 O LEU B 723 34.454 -12.765 11.812 1.00 0.00 O ATOM 1722 CB LEU B 723 33.016 -12.126 9.140 1.00 0.00 C ATOM 1723 CG LEU B 723 31.754 -11.971 8.272 1.00 0.00 C ATOM 1724 CD1 LEU B 723 31.887 -12.855 7.033 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.488 -12.376 9.025 1.00 0.00 C ATOM 0 H LEU B 723 32.894 -9.692 9.226 1.00 0.00 H new ATOM 0 HA LEU B 723 32.190 -11.693 11.098 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.875 -11.799 8.554 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.158 -13.186 9.349 1.00 0.00 H new ATOM 0 HG LEU B 723 31.667 -10.919 7.998 1.00 0.00 H new ATOM 0 HD11 LEU B 723 30.996 -12.750 6.414 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.764 -12.551 6.462 1.00 0.00 H new ATOM 0 HD13 LEU B 723 31.996 -13.896 7.338 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.622 -12.251 8.375 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.564 -13.420 9.330 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.373 -11.747 9.908 1.00 0.00 H new ATOM 1737 N LEU B 724 35.229 -10.692 11.385 1.00 0.00 N ATOM 1738 CA LEU B 724 36.548 -10.733 12.042 1.00 0.00 C ATOM 1739 C LEU B 724 36.618 -11.671 13.278 1.00 0.00 C ATOM 1740 O LEU B 724 36.054 -11.336 14.325 1.00 0.00 O ATOM 1741 CB LEU B 724 37.006 -9.292 12.378 1.00 0.00 C ATOM 1742 CG LEU B 724 36.895 -8.245 11.242 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.588 -6.950 11.661 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.535 -8.728 9.941 1.00 0.00 C ATOM 0 H LEU B 724 35.052 -9.776 10.973 1.00 0.00 H new ATOM 0 HA LEU B 724 37.243 -11.178 11.330 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.420 -8.938 13.226 1.00 0.00 H new ATOM 0 HB3 LEU B 724 38.046 -9.332 12.703 1.00 0.00 H new ATOM 0 HG LEU B 724 35.832 -8.083 11.066 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.507 -6.217 10.858 1.00 0.00 H new ATOM 0 HD12 LEU B 724 37.113 -6.557 12.560 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.640 -7.150 11.865 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.431 -7.958 9.176 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.593 -8.931 10.109 1.00 0.00 H new ATOM 0 HD23 LEU B 724 37.039 -9.640 9.608 1.00 0.00 H new ATOM 1756 N PRO B 725 37.280 -12.847 13.189 1.00 0.00 N ATOM 1757 CA PRO B 725 37.344 -13.840 14.274 1.00 0.00 C ATOM 1758 C PRO B 725 38.332 -13.513 15.410 1.00 0.00 C ATOM 1759 O PRO B 725 38.380 -14.243 16.401 1.00 0.00 O ATOM 1760 CB PRO B 725 37.754 -15.140 13.576 1.00 0.00 C ATOM 1761 CG PRO B 725 38.674 -14.649 12.463 1.00 0.00 C ATOM 1762 CD PRO B 725 37.974 -13.368 12.013 1.00 0.00 C ATOM 0 HA PRO B 725 36.380 -13.882 14.781 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.268 -15.820 14.256 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.891 -15.677 13.181 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.684 -14.456 12.824 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.758 -15.374 11.653 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.695 -12.643 11.634 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.271 -13.572 11.205 1.00 0.00 H new ATOM 1770 N MET B 726 39.127 -12.448 15.274 1.00 0.00 N ATOM 1771 CA MET B 726 40.166 -12.039 16.229 1.00 0.00 C ATOM 1772 C MET B 726 40.194 -10.513 16.385 1.00 0.00 C ATOM 1773 O MET B 726 39.935 -9.781 15.427 1.00 0.00 O ATOM 1774 CB MET B 726 41.490 -12.611 15.707 1.00 0.00 C ATOM 1775 CG MET B 726 42.716 -12.323 16.571 1.00 0.00 C ATOM 1776 SD MET B 726 44.192 -13.291 16.140 1.00 0.00 S ATOM 1777 CE MET B 726 44.477 -12.770 14.425 1.00 0.00 C ATOM 0 H MET B 726 39.064 -11.824 14.469 1.00 0.00 H new ATOM 0 HA MET B 726 39.970 -12.425 17.229 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.384 -13.691 15.605 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.669 -12.213 14.708 1.00 0.00 H new ATOM 0 HG2 MET B 726 42.958 -11.263 16.493 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.463 -12.516 17.613 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.393 -13.229 14.053 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.637 -13.083 13.805 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.573 -11.685 14.386 1.00 0.00 H new ATOM 1787 N SER B 727 40.510 -10.038 17.589 1.00 0.00 N ATOM 1788 CA SER B 727 40.560 -8.612 17.952 1.00 0.00 C ATOM 1789 C SER B 727 41.835 -7.928 17.442 1.00 0.00 C ATOM 1790 O SER B 727 42.875 -8.587 17.389 1.00 0.00 O ATOM 1791 CB SER B 727 40.511 -8.501 19.484 1.00 0.00 C ATOM 1792 OG SER B 727 40.787 -7.191 19.950 1.00 0.00 O ATOM 0 H SER B 727 40.747 -10.651 18.369 1.00 0.00 H new ATOM 0 HA SER B 727 39.710 -8.112 17.488 1.00 0.00 H new ATOM 0 HB2 SER B 727 39.525 -8.806 19.834 1.00 0.00 H new ATOM 0 HB3 SER B 727 41.232 -9.195 19.917 1.00 0.00 H new ATOM 0 HG SER B 727 40.741 -7.176 20.929 1.00 0.00 H new ATOM 1798 N PRO B 728 41.819 -6.618 17.114 1.00 0.00 N ATOM 1799 CA PRO B 728 43.019 -5.868 16.730 1.00 0.00 C ATOM 1800 C PRO B 728 44.182 -6.004 17.733 1.00 0.00 C ATOM 1801 O PRO B 728 45.345 -6.009 17.333 1.00 0.00 O ATOM 1802 CB PRO B 728 42.574 -4.406 16.609 1.00 0.00 C ATOM 1803 CG PRO B 728 41.080 -4.505 16.319 1.00 0.00 C ATOM 1804 CD PRO B 728 40.658 -5.738 17.114 1.00 0.00 C ATOM 0 HA PRO B 728 43.416 -6.265 15.796 1.00 0.00 H new ATOM 0 HB2 PRO B 728 42.768 -3.851 17.527 1.00 0.00 H new ATOM 0 HB3 PRO B 728 43.104 -3.891 15.808 1.00 0.00 H new ATOM 0 HG2 PRO B 728 40.546 -3.612 16.644 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.882 -4.624 15.254 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.369 -5.470 18.130 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.797 -6.225 16.656 1.00 0.00 H new ATOM 1812 N GLU B 729 43.892 -6.147 19.034 1.00 0.00 N ATOM 1813 CA GLU B 729 44.913 -6.329 20.080 1.00 0.00 C ATOM 1814 C GLU B 729 45.555 -7.729 20.043 1.00 0.00 C ATOM 1815 O GLU B 729 46.760 -7.868 20.262 1.00 0.00 O ATOM 1816 CB GLU B 729 44.288 -6.079 21.462 1.00 0.00 C ATOM 1817 CG GLU B 729 43.909 -4.612 21.721 1.00 0.00 C ATOM 1818 CD GLU B 729 45.076 -3.621 21.516 1.00 0.00 C ATOM 1819 OE1 GLU B 729 46.168 -3.833 22.101 1.00 0.00 O ATOM 1820 OE2 GLU B 729 44.907 -2.624 20.775 1.00 0.00 O ATOM 0 H GLU B 729 42.938 -6.140 19.394 1.00 0.00 H new ATOM 0 HA GLU B 729 45.706 -5.606 19.889 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.396 -6.697 21.563 1.00 0.00 H new ATOM 0 HB3 GLU B 729 44.989 -6.403 22.231 1.00 0.00 H new ATOM 0 HG2 GLU B 729 43.089 -4.336 21.058 1.00 0.00 H new ATOM 0 HG3 GLU B 729 43.539 -4.517 22.742 1.00 0.00 H new ATOM 1827 N GLU B 730 44.776 -8.763 19.722 1.00 0.00 N ATOM 1828 CA GLU B 730 45.261 -10.139 19.544 1.00 0.00 C ATOM 1829 C GLU B 730 46.044 -10.219 18.225 1.00 0.00 C ATOM 1830 O GLU B 730 47.157 -10.738 18.188 1.00 0.00 O ATOM 1831 CB GLU B 730 44.071 -11.109 19.513 1.00 0.00 C ATOM 1832 CG GLU B 730 43.297 -11.172 20.834 1.00 0.00 C ATOM 1833 CD GLU B 730 42.029 -12.041 20.708 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.188 -11.765 19.816 1.00 0.00 O ATOM 1835 OE2 GLU B 730 41.855 -12.976 21.526 1.00 0.00 O ATOM 0 H GLU B 730 43.771 -8.669 19.575 1.00 0.00 H new ATOM 0 HA GLU B 730 45.912 -10.415 20.373 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.390 -10.810 18.716 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.433 -12.107 19.265 1.00 0.00 H new ATOM 0 HG2 GLU B 730 43.941 -11.578 21.615 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.019 -10.164 21.142 1.00 0.00 H new ATOM 1842 N PHE B 731 45.497 -9.628 17.157 1.00 0.00 N ATOM 1843 CA PHE B 731 46.146 -9.498 15.848 1.00 0.00 C ATOM 1844 C PHE B 731 47.520 -8.808 15.966 1.00 0.00 C ATOM 1845 O PHE B 731 48.465 -9.198 15.278 1.00 0.00 O ATOM 1846 CB PHE B 731 45.202 -8.736 14.901 1.00 0.00 C ATOM 1847 CG PHE B 731 45.716 -8.552 13.483 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.601 -7.498 13.182 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.294 -9.416 12.453 1.00 0.00 C ATOM 1850 CE1 PHE B 731 47.082 -7.326 11.871 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.763 -9.235 11.140 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.665 -8.197 10.850 1.00 0.00 C ATOM 0 H PHE B 731 44.564 -9.215 17.180 1.00 0.00 H new ATOM 0 HA PHE B 731 46.337 -10.489 15.437 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.250 -9.266 14.859 1.00 0.00 H new ATOM 0 HB3 PHE B 731 45.001 -7.753 15.328 1.00 0.00 H new ATOM 0 HD1 PHE B 731 46.912 -6.818 13.962 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.608 -10.220 12.673 1.00 0.00 H new ATOM 0 HE1 PHE B 731 47.771 -6.525 11.649 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.429 -9.895 10.353 1.00 0.00 H new ATOM 0 HZ PHE B 731 47.037 -8.069 9.844 1.00 0.00 H new ATOM 1862 N ASP B 732 47.670 -7.817 16.854 1.00 0.00 N ATOM 1863 CA ASP B 732 48.959 -7.160 17.097 1.00 0.00 C ATOM 1864 C ASP B 732 49.965 -8.132 17.741 1.00 0.00 C ATOM 1865 O ASP B 732 51.089 -8.239 17.262 1.00 0.00 O ATOM 1866 CB ASP B 732 48.773 -5.893 17.941 1.00 0.00 C ATOM 1867 CG ASP B 732 50.058 -5.049 17.957 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.363 -4.388 16.937 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.757 -5.036 18.999 1.00 0.00 O ATOM 0 H ASP B 732 46.905 -7.450 17.421 1.00 0.00 H new ATOM 0 HA ASP B 732 49.374 -6.857 16.136 1.00 0.00 H new ATOM 0 HB2 ASP B 732 47.950 -5.302 17.539 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.501 -6.167 18.960 1.00 0.00 H new ATOM 1874 N GLU B 733 49.571 -8.912 18.758 1.00 0.00 N ATOM 1875 CA GLU B 733 50.433 -9.957 19.344 1.00 0.00 C ATOM 1876 C GLU B 733 50.789 -11.036 18.308 1.00 0.00 C ATOM 1877 O GLU B 733 51.927 -11.503 18.282 1.00 0.00 O ATOM 1878 CB GLU B 733 49.780 -10.551 20.604 1.00 0.00 C ATOM 1879 CG GLU B 733 50.578 -11.691 21.264 1.00 0.00 C ATOM 1880 CD GLU B 733 52.002 -11.294 21.705 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.193 -10.196 22.269 1.00 0.00 O ATOM 1882 OE2 GLU B 733 52.947 -12.102 21.551 1.00 0.00 O ATOM 0 H GLU B 733 48.653 -8.840 19.197 1.00 0.00 H new ATOM 0 HA GLU B 733 51.373 -9.497 19.649 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.639 -9.754 21.334 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.789 -10.923 20.343 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.027 -12.049 22.134 1.00 0.00 H new ATOM 0 HG3 GLU B 733 50.646 -12.524 20.565 1.00 0.00 H new ATOM 1889 N VAL B 734 49.871 -11.379 17.398 1.00 0.00 N ATOM 1890 CA VAL B 734 50.173 -12.293 16.290 1.00 0.00 C ATOM 1891 C VAL B 734 51.243 -11.660 15.392 1.00 0.00 C ATOM 1892 O VAL B 734 52.242 -12.304 15.073 1.00 0.00 O ATOM 1893 CB VAL B 734 48.912 -12.660 15.486 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.279 -13.388 14.194 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.930 -13.553 16.254 1.00 0.00 C ATOM 0 H VAL B 734 48.910 -11.037 17.407 1.00 0.00 H new ATOM 0 HA VAL B 734 50.556 -13.226 16.703 1.00 0.00 H new ATOM 0 HB VAL B 734 48.425 -11.707 15.280 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.370 -13.636 13.645 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.909 -12.745 13.580 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.819 -14.304 14.433 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.067 -13.770 15.625 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.424 -14.486 16.527 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.601 -13.039 17.157 1.00 0.00 H new ATOM 1905 N SER B 735 51.076 -10.386 15.026 1.00 0.00 N ATOM 1906 CA SER B 735 52.028 -9.631 14.201 1.00 0.00 C ATOM 1907 C SER B 735 53.420 -9.525 14.839 1.00 0.00 C ATOM 1908 O SER B 735 54.417 -9.602 14.119 1.00 0.00 O ATOM 1909 CB SER B 735 51.495 -8.225 13.890 1.00 0.00 C ATOM 1910 OG SER B 735 50.258 -8.291 13.200 1.00 0.00 O ATOM 0 H SER B 735 50.260 -9.838 15.299 1.00 0.00 H new ATOM 0 HA SER B 735 52.134 -10.194 13.274 1.00 0.00 H new ATOM 0 HB2 SER B 735 51.369 -7.667 14.818 1.00 0.00 H new ATOM 0 HB3 SER B 735 52.223 -7.681 13.288 1.00 0.00 H new ATOM 0 HG SER B 735 49.557 -8.595 13.814 1.00 0.00 H new ATOM 1916 N ARG B 736 53.517 -9.408 16.175 1.00 0.00 N ATOM 1917 CA ARG B 736 54.805 -9.362 16.908 1.00 0.00 C ATOM 1918 C ARG B 736 55.637 -10.635 16.696 1.00 0.00 C ATOM 1919 O ARG B 736 56.865 -10.559 16.629 1.00 0.00 O ATOM 1920 CB ARG B 736 54.577 -9.161 18.419 1.00 0.00 C ATOM 1921 CG ARG B 736 54.019 -7.781 18.809 1.00 0.00 C ATOM 1922 CD ARG B 736 53.528 -7.790 20.266 1.00 0.00 C ATOM 1923 NE ARG B 736 52.406 -6.857 20.484 1.00 0.00 N ATOM 1924 CZ ARG B 736 51.674 -6.733 21.576 1.00 0.00 C ATOM 1925 NH1 ARG B 736 51.765 -7.536 22.591 1.00 0.00 N ATOM 1926 NH2 ARG B 736 50.803 -5.773 21.641 1.00 0.00 N ATOM 0 H ARG B 736 52.702 -9.342 16.785 1.00 0.00 H new ATOM 0 HA ARG B 736 55.357 -8.514 16.503 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.890 -9.929 18.774 1.00 0.00 H new ATOM 0 HB3 ARG B 736 55.523 -9.315 18.939 1.00 0.00 H new ATOM 0 HG2 ARG B 736 54.791 -7.022 18.684 1.00 0.00 H new ATOM 0 HG3 ARG B 736 53.198 -7.513 18.144 1.00 0.00 H new ATOM 0 HD2 ARG B 736 53.216 -8.799 20.536 1.00 0.00 H new ATOM 0 HD3 ARG B 736 54.353 -7.524 20.927 1.00 0.00 H new ATOM 0 HE ARG B 736 52.170 -6.241 19.706 1.00 0.00 H new ATOM 0 HH11 ARG B 736 52.428 -8.311 22.570 1.00 0.00 H new ATOM 0 HH12 ARG B 736 51.174 -7.392 23.410 1.00 0.00 H new ATOM 0 HH21 ARG B 736 50.693 -5.130 20.857 1.00 0.00 H new ATOM 0 HH22 ARG B 736 50.228 -5.661 22.476 1.00 0.00 H new ATOM 1940 N ILE B 737 54.976 -11.792 16.591 1.00 0.00 N ATOM 1941 CA ILE B 737 55.617 -13.108 16.402 1.00 0.00 C ATOM 1942 C ILE B 737 55.806 -13.458 14.917 1.00 0.00 C ATOM 1943 O ILE B 737 56.884 -13.904 14.519 1.00 0.00 O ATOM 1944 CB ILE B 737 54.794 -14.201 17.127 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.669 -13.849 18.630 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.418 -15.597 16.928 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.109 -14.953 19.533 1.00 0.00 C ATOM 0 H ILE B 737 53.958 -11.847 16.635 1.00 0.00 H new ATOM 0 HA ILE B 737 56.614 -13.058 16.839 1.00 0.00 H new ATOM 0 HB ILE B 737 53.795 -14.234 16.691 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.655 -13.569 19.001 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.031 -12.970 18.725 1.00 0.00 H new ATOM 0 HG21 ILE B 737 54.817 -16.342 17.449 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.448 -15.834 15.865 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.431 -15.603 17.329 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.067 -14.595 20.562 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.106 -15.221 19.201 1.00 0.00 H new ATOM 0 HD13 ILE B 737 54.755 -15.829 19.480 1.00 0.00 H new ATOM 1959 N VAL B 738 54.771 -13.274 14.092 1.00 0.00 N ATOM 1960 CA VAL B 738 54.784 -13.598 12.649 1.00 0.00 C ATOM 1961 C VAL B 738 55.685 -12.652 11.844 1.00 0.00 C ATOM 1962 O VAL B 738 56.307 -13.067 10.866 1.00 0.00 O ATOM 1963 CB VAL B 738 53.344 -13.581 12.094 1.00 0.00 C ATOM 1964 CG1 VAL B 738 53.281 -13.826 10.582 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.505 -14.681 12.760 1.00 0.00 C ATOM 0 H VAL B 738 53.881 -12.889 14.407 1.00 0.00 H new ATOM 0 HA VAL B 738 55.203 -14.598 12.541 1.00 0.00 H new ATOM 0 HB VAL B 738 52.956 -12.586 12.310 1.00 0.00 H new ATOM 0 HG11 VAL B 738 52.242 -13.802 10.253 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.844 -13.050 10.064 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.712 -14.801 10.353 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.491 -14.658 12.360 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.953 -15.654 12.557 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.474 -14.513 13.837 1.00 0.00 H new ATOM 1975 N GLY B 739 55.768 -11.383 12.244 1.00 0.00 N ATOM 1976 CA GLY B 739 56.588 -10.351 11.587 1.00 0.00 C ATOM 1977 C GLY B 739 56.230 -10.048 10.119 1.00 0.00 C ATOM 1978 O GLY B 739 57.061 -9.509 9.387 1.00 0.00 O ATOM 0 H GLY B 739 55.257 -11.030 13.053 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.505 -9.428 12.160 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.632 -10.660 11.631 1.00 0.00 H new ATOM 1982 N SER B 740 55.009 -10.387 9.684 1.00 0.00 N ATOM 1983 CA SER B 740 54.459 -10.180 8.325 1.00 0.00 C ATOM 1984 C SER B 740 55.311 -10.709 7.148 1.00 0.00 C ATOM 1985 O SER B 740 55.173 -10.215 6.028 1.00 0.00 O ATOM 1986 CB SER B 740 54.084 -8.701 8.122 1.00 0.00 C ATOM 1987 OG SER B 740 53.248 -8.223 9.169 1.00 0.00 O ATOM 0 H SER B 740 54.335 -10.839 10.302 1.00 0.00 H new ATOM 0 HA SER B 740 53.569 -10.808 8.292 1.00 0.00 H new ATOM 0 HB2 SER B 740 54.991 -8.098 8.076 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.574 -8.582 7.166 1.00 0.00 H new ATOM 0 HG SER B 740 53.031 -7.281 9.010 1.00 0.00 H new ATOM 1993 N VAL B 741 56.170 -11.711 7.393 1.00 0.00 N ATOM 1994 CA VAL B 741 57.104 -12.403 6.466 1.00 0.00 C ATOM 1995 C VAL B 741 56.951 -12.104 4.957 1.00 0.00 C ATOM 1996 O VAL B 741 57.790 -11.406 4.389 1.00 0.00 O ATOM 1997 CB VAL B 741 57.124 -13.929 6.743 1.00 0.00 C ATOM 1998 CG1 VAL B 741 58.087 -14.244 7.893 1.00 0.00 C ATOM 1999 CG2 VAL B 741 55.754 -14.538 7.103 1.00 0.00 C ATOM 0 H VAL B 741 56.241 -12.101 8.333 1.00 0.00 H new ATOM 0 HA VAL B 741 58.073 -11.962 6.702 1.00 0.00 H new ATOM 0 HB VAL B 741 57.443 -14.377 5.802 1.00 0.00 H new ATOM 0 HG11 VAL B 741 58.093 -15.318 8.079 1.00 0.00 H new ATOM 0 HG12 VAL B 741 59.092 -13.916 7.626 1.00 0.00 H new ATOM 0 HG13 VAL B 741 57.762 -13.722 8.793 1.00 0.00 H new ATOM 0 HG21 VAL B 741 55.866 -15.608 7.279 1.00 0.00 H new ATOM 0 HG22 VAL B 741 55.369 -14.060 8.004 1.00 0.00 H new ATOM 0 HG23 VAL B 741 55.057 -14.377 6.281 1.00 0.00 H new ATOM 2009 N GLU B 742 55.885 -12.593 4.315 1.00 0.00 N ATOM 2010 CA GLU B 742 55.532 -12.373 2.887 1.00 0.00 C ATOM 2011 C GLU B 742 53.993 -12.268 2.734 1.00 0.00 C ATOM 2012 O GLU B 742 53.393 -12.638 1.723 1.00 0.00 O ATOM 2013 CB GLU B 742 56.099 -13.505 2.006 1.00 0.00 C ATOM 2014 CG GLU B 742 57.635 -13.589 2.023 1.00 0.00 C ATOM 2015 CD GLU B 742 58.228 -14.524 0.952 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.484 -15.292 0.296 1.00 0.00 O ATOM 2017 OE2 GLU B 742 59.465 -14.487 0.754 1.00 0.00 O ATOM 0 H GLU B 742 55.204 -13.184 4.791 1.00 0.00 H new ATOM 0 HA GLU B 742 55.978 -11.436 2.553 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.688 -14.457 2.343 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.763 -13.358 0.980 1.00 0.00 H new ATOM 0 HG2 GLU B 742 58.044 -12.588 1.882 1.00 0.00 H new ATOM 0 HG3 GLU B 742 57.958 -13.930 3.006 1.00 0.00 H new ATOM 2024 N PHE B 743 53.362 -11.825 3.820 1.00 0.00 N ATOM 2025 CA PHE B 743 51.934 -11.771 4.124 1.00 0.00 C ATOM 2026 C PHE B 743 50.937 -11.382 3.014 1.00 0.00 C ATOM 2027 O PHE B 743 49.864 -11.978 2.915 1.00 0.00 O ATOM 2028 CB PHE B 743 51.813 -10.875 5.355 1.00 0.00 C ATOM 2029 CG PHE B 743 50.604 -11.110 6.218 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.345 -12.390 6.752 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.798 -10.014 6.573 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.308 -12.544 7.681 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.743 -10.184 7.482 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.505 -11.446 8.040 1.00 0.00 C ATOM 0 H PHE B 743 53.904 -11.452 4.599 1.00 0.00 H new ATOM 0 HA PHE B 743 51.611 -12.800 4.281 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.705 -11.008 5.967 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.805 -9.836 5.026 1.00 0.00 H new ATOM 0 HD1 PHE B 743 50.938 -13.240 6.449 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.991 -9.041 6.146 1.00 0.00 H new ATOM 0 HE1 PHE B 743 49.124 -13.511 8.124 1.00 0.00 H new ATOM 0 HE2 PHE B 743 48.117 -9.345 7.750 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.701 -11.577 8.749 1.00 0.00 H new ATOM 2044 N ASP B 744 51.261 -10.419 2.150 1.00 0.00 N ATOM 2045 CA ASP B 744 50.389 -10.007 1.034 1.00 0.00 C ATOM 2046 C ASP B 744 50.311 -11.032 -0.129 1.00 0.00 C ATOM 2047 O ASP B 744 49.564 -10.835 -1.089 1.00 0.00 O ATOM 2048 CB ASP B 744 50.798 -8.609 0.549 1.00 0.00 C ATOM 2049 CG ASP B 744 52.187 -8.593 -0.111 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.203 -8.629 0.625 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.269 -8.526 -1.361 1.00 0.00 O ATOM 0 H ASP B 744 52.136 -9.898 2.199 1.00 0.00 H new ATOM 0 HA ASP B 744 49.371 -9.970 1.423 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.058 -8.245 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.794 -7.920 1.394 1.00 0.00 H new ATOM 2056 N SER B 745 51.076 -12.126 -0.040 1.00 0.00 N ATOM 2057 CA SER B 745 51.213 -13.201 -1.038 1.00 0.00 C ATOM 2058 C SER B 745 50.831 -14.594 -0.490 1.00 0.00 C ATOM 2059 O SER B 745 50.990 -15.595 -1.185 1.00 0.00 O ATOM 2060 CB SER B 745 52.663 -13.123 -1.551 1.00 0.00 C ATOM 2061 OG SER B 745 52.970 -14.017 -2.607 1.00 0.00 O ATOM 0 H SER B 745 51.654 -12.298 0.782 1.00 0.00 H new ATOM 0 HA SER B 745 50.508 -13.059 -1.857 1.00 0.00 H new ATOM 0 HB2 SER B 745 52.860 -12.105 -1.887 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.339 -13.320 -0.719 1.00 0.00 H new ATOM 0 HG SER B 745 52.449 -14.840 -2.501 1.00 0.00 H new ATOM 2067 N MET B 746 50.297 -14.708 0.737 1.00 0.00 N ATOM 2068 CA MET B 746 49.919 -16.009 1.340 1.00 0.00 C ATOM 2069 C MET B 746 48.865 -16.817 0.559 1.00 0.00 C ATOM 2070 O MET B 746 48.734 -18.022 0.776 1.00 0.00 O ATOM 2071 CB MET B 746 49.491 -15.853 2.804 1.00 0.00 C ATOM 2072 CG MET B 746 50.552 -15.235 3.729 1.00 0.00 C ATOM 2073 SD MET B 746 52.303 -15.316 3.242 1.00 0.00 S ATOM 2074 CE MET B 746 52.601 -17.059 3.549 1.00 0.00 C ATOM 0 H MET B 746 50.113 -13.908 1.342 1.00 0.00 H new ATOM 0 HA MET B 746 50.835 -16.597 1.287 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.594 -15.235 2.841 1.00 0.00 H new ATOM 0 HB3 MET B 746 49.218 -16.834 3.193 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.297 -14.184 3.866 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.459 -15.715 4.703 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.521 -17.364 3.051 1.00 0.00 H new ATOM 0 HE2 MET B 746 52.696 -17.229 4.622 1.00 0.00 H new ATOM 0 HE3 MET B 746 51.767 -17.644 3.161 1.00 0.00 H new