USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=34 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 67 HIS : no HD1:sc= -0.133 K(o=4.3,f=2.4) USER MOD Set 1.2: A 71 CYS SG : rot 100:sc= 1.3 USER MOD Set 1.3: A 76 CYS SG : rot 135:sc= 0.857 USER MOD Set 1.4: A 81 CYS SG : rot -158:sc= 0.0788! USER MOD Set 1.5: A 85 LYS NZ :NH3+ 160:sc= 2.21 (180deg=0.943) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -2.81! X(o=6.4!,f=6.8) USER MOD Set 2.2: A 43 THR OG1 : rot -42:sc= 1.39 USER MOD Set 2.3: A 46 CYS SG : rot 170:sc= 1.89 USER MOD Set 2.4: A 49 LYS NZ :NH3+ 150:sc= 2.48 (180deg=0.00243) USER MOD Set 2.5: A 54 CYS SG : rot -142:sc= 1.27 USER MOD Set 2.6: A 57 CYS SG : rot 136:sc= 2.22 USER MOD Set 3.1: A 41 GLN : amide:sc= 0.611 K(o=1.5,f=-2) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -146:sc= 0.928 (180deg=0) USER MOD Set 4.1: A 16 SER OG : rot 75:sc= 1.05 USER MOD Set 4.2: A 32 SER OG : rot 160:sc= 0.657 USER MOD Set 5.1: A 19 HIS : no HD1:sc= -1.15 X(o=5.1,f=4.9) USER MOD Set 5.2: A 23 CYS SG : rot 104:sc= 1.23 USER MOD Set 5.3: A 28 CYS SG : rot 129:sc= 1.32 USER MOD Set 5.4: A 33 CYS SG : rot -161:sc= 0.685 USER MOD Set 5.5: A 37 LYS NZ :NH3+ 163:sc= 3.02 (180deg=0.93) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 87:sc= 1.19 USER MOD Single : A 11 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.31) USER MOD Single : A 13 CYS SG : rot 71:sc= 0.404 USER MOD Single : A 15 GLN : amide:sc= 0.65 K(o=0.65,f=-2.8!) USER MOD Single : A 21 CYS SG : rot 79:sc= 0.293 USER MOD Single : A 22 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.555 K(o=0.55,f=-5.3!) USER MOD Single : A 27 ASN : amide:sc=-0.00256 X(o=-0.0026,f=-0.0026) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.1 K(o=1.1,f=-0.57) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0.683 (180deg=0.154) USER MOD Single : A 36 MET CE :methyl 176:sc= -0.272 (180deg=-0.29) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.174 K(o=0.17,f=-8!) USER MOD Single : A 64 CYS SG : rot 75:sc= 0.5 USER MOD Single : A 65 CYS SG : rot 78:sc= -0.154 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0.904 (180deg=0.586) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.39 X(o=0.39,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 722 ASN : amide:sc= -0.58 K(o=-0.58,f=0) USER MOD Single : B 726 MET CE :methyl 176:sc=-0.00504 (180deg=-0.0214) USER MOD Single : B 727 SER OG : rot 79:sc= 1.18 USER MOD Single : B 735 SER OG : rot 72:sc= 0.697 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 745 SER OG : rot 180:sc= 0 USER MOD Single : B 746 MET CE :methyl 165:sc= -2.95 (180deg=-3.68) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 50.387 -12.659 27.652 1.00 0.00 N ATOM 44 CA GLU A 4 49.953 -14.054 27.769 1.00 0.00 C ATOM 45 C GLU A 4 48.442 -14.199 27.562 1.00 0.00 C ATOM 46 O GLU A 4 48.014 -15.119 26.872 1.00 0.00 O ATOM 47 CB GLU A 4 50.358 -14.595 29.147 1.00 0.00 C ATOM 48 CG GLU A 4 51.800 -15.109 29.195 1.00 0.00 C ATOM 49 CD GLU A 4 52.839 -14.115 28.650 1.00 0.00 C ATOM 50 OE1 GLU A 4 52.963 -12.996 29.202 1.00 0.00 O ATOM 51 OE2 GLU A 4 53.519 -14.453 27.652 1.00 0.00 O ATOM 0 HA GLU A 4 50.442 -14.633 26.986 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.236 -13.807 29.890 1.00 0.00 H new ATOM 0 HB3 GLU A 4 49.682 -15.403 29.426 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.053 -15.354 30.227 1.00 0.00 H new ATOM 0 HG3 GLU A 4 51.864 -16.035 28.623 1.00 0.00 H new ATOM 58 N SER A 5 47.628 -13.270 28.081 1.00 0.00 N ATOM 59 CA SER A 5 46.173 -13.285 27.869 1.00 0.00 C ATOM 60 C SER A 5 45.823 -13.254 26.370 1.00 0.00 C ATOM 61 O SER A 5 44.952 -14.002 25.918 1.00 0.00 O ATOM 62 CB SER A 5 45.539 -12.104 28.613 1.00 0.00 C ATOM 63 OG SER A 5 44.124 -12.172 28.554 1.00 0.00 O ATOM 0 H SER A 5 47.955 -12.493 28.655 1.00 0.00 H new ATOM 0 HA SER A 5 45.768 -14.215 28.269 1.00 0.00 H new ATOM 0 HB2 SER A 5 45.865 -12.107 29.653 1.00 0.00 H new ATOM 0 HB3 SER A 5 45.881 -11.166 28.175 1.00 0.00 H new ATOM 0 HG SER A 5 43.740 -11.410 29.036 1.00 0.00 H new ATOM 69 N ARG A 6 46.565 -12.465 25.572 1.00 0.00 N ATOM 70 CA ARG A 6 46.426 -12.414 24.106 1.00 0.00 C ATOM 71 C ARG A 6 46.883 -13.737 23.478 1.00 0.00 C ATOM 72 O ARG A 6 46.134 -14.355 22.726 1.00 0.00 O ATOM 73 CB ARG A 6 47.275 -11.277 23.495 1.00 0.00 C ATOM 74 CG ARG A 6 47.093 -9.849 24.042 1.00 0.00 C ATOM 75 CD ARG A 6 48.280 -9.036 23.502 1.00 0.00 C ATOM 76 NE ARG A 6 48.127 -7.575 23.588 1.00 0.00 N ATOM 77 CZ ARG A 6 48.757 -6.727 22.791 1.00 0.00 C ATOM 78 NH1 ARG A 6 49.733 -7.090 22.007 1.00 0.00 N ATOM 79 NH2 ARG A 6 48.405 -5.476 22.766 1.00 0.00 N ATOM 0 H ARG A 6 47.285 -11.838 25.931 1.00 0.00 H new ATOM 0 HA ARG A 6 45.372 -12.234 23.893 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.324 -11.546 23.614 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.072 -11.250 22.424 1.00 0.00 H new ATOM 0 HG2 ARG A 6 46.146 -9.423 23.713 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.082 -9.847 25.132 1.00 0.00 H new ATOM 0 HD2 ARG A 6 49.177 -9.325 24.050 1.00 0.00 H new ATOM 0 HD3 ARG A 6 48.442 -9.308 22.459 1.00 0.00 H new ATOM 0 HE ARG A 6 47.502 -7.196 24.300 1.00 0.00 H new ATOM 0 HH11 ARG A 6 50.040 -8.063 21.991 1.00 0.00 H new ATOM 0 HH12 ARG A 6 50.190 -6.401 21.409 1.00 0.00 H new ATOM 0 HH21 ARG A 6 47.644 -5.148 23.360 1.00 0.00 H new ATOM 0 HH22 ARG A 6 48.890 -4.822 22.152 1.00 0.00 H new ATOM 93 N ARG A 7 48.108 -14.179 23.803 1.00 0.00 N ATOM 94 CA ARG A 7 48.769 -15.392 23.269 1.00 0.00 C ATOM 95 C ARG A 7 47.919 -16.648 23.437 1.00 0.00 C ATOM 96 O ARG A 7 47.694 -17.394 22.484 1.00 0.00 O ATOM 97 CB ARG A 7 50.140 -15.555 23.942 1.00 0.00 C ATOM 98 CG ARG A 7 51.087 -14.418 23.533 1.00 0.00 C ATOM 99 CD ARG A 7 52.289 -14.293 24.462 1.00 0.00 C ATOM 100 NE ARG A 7 53.082 -13.122 24.050 1.00 0.00 N ATOM 101 CZ ARG A 7 54.185 -12.620 24.562 1.00 0.00 C ATOM 102 NH1 ARG A 7 54.763 -13.074 25.634 1.00 0.00 N ATOM 103 NH2 ARG A 7 54.708 -11.596 23.961 1.00 0.00 N ATOM 0 H ARG A 7 48.695 -13.683 24.474 1.00 0.00 H new ATOM 0 HA ARG A 7 48.900 -15.262 22.195 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.020 -15.562 25.025 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.575 -16.515 23.663 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.436 -14.589 22.515 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.537 -13.477 23.527 1.00 0.00 H new ATOM 0 HD2 ARG A 7 51.959 -14.182 25.495 1.00 0.00 H new ATOM 0 HD3 ARG A 7 52.897 -15.196 24.417 1.00 0.00 H new ATOM 0 HE ARG A 7 52.718 -12.621 23.239 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.361 -13.868 26.133 1.00 0.00 H new ATOM 0 HH12 ARG A 7 55.618 -12.636 25.977 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.264 -11.213 23.127 1.00 0.00 H new ATOM 0 HH22 ARG A 7 55.563 -11.174 24.323 1.00 0.00 H new ATOM 117 N LEU A 8 47.423 -16.857 24.652 1.00 0.00 N ATOM 118 CA LEU A 8 46.580 -17.988 25.032 1.00 0.00 C ATOM 119 C LEU A 8 45.199 -17.919 24.359 1.00 0.00 C ATOM 120 O LEU A 8 44.692 -18.944 23.902 1.00 0.00 O ATOM 121 CB LEU A 8 46.509 -18.027 26.572 1.00 0.00 C ATOM 122 CG LEU A 8 47.885 -18.257 27.245 1.00 0.00 C ATOM 123 CD1 LEU A 8 47.776 -18.070 28.756 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.475 -19.638 26.958 1.00 0.00 C ATOM 0 H LEU A 8 47.603 -16.221 25.429 1.00 0.00 H new ATOM 0 HA LEU A 8 47.013 -18.924 24.677 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.089 -17.088 26.933 1.00 0.00 H new ATOM 0 HB3 LEU A 8 45.826 -18.820 26.877 1.00 0.00 H new ATOM 0 HG LEU A 8 48.558 -17.516 26.814 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.751 -18.235 29.214 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.440 -17.056 28.974 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.059 -18.785 29.160 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.438 -19.733 27.459 1.00 0.00 H new ATOM 0 HD22 LEU A 8 47.797 -20.407 27.327 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.611 -19.759 25.883 1.00 0.00 H new ATOM 136 N SER A 9 44.605 -16.726 24.222 1.00 0.00 N ATOM 137 CA SER A 9 43.323 -16.559 23.514 1.00 0.00 C ATOM 138 C SER A 9 43.452 -16.849 22.011 1.00 0.00 C ATOM 139 O SER A 9 42.556 -17.462 21.429 1.00 0.00 O ATOM 140 CB SER A 9 42.737 -15.161 23.723 1.00 0.00 C ATOM 141 OG SER A 9 42.483 -14.919 25.097 1.00 0.00 O ATOM 0 H SER A 9 44.991 -15.858 24.593 1.00 0.00 H new ATOM 0 HA SER A 9 42.640 -17.290 23.946 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.429 -14.411 23.339 1.00 0.00 H new ATOM 0 HB3 SER A 9 41.812 -15.061 23.155 1.00 0.00 H new ATOM 0 HG SER A 9 43.293 -14.567 25.522 1.00 0.00 H new ATOM 147 N ILE A 10 44.575 -16.485 21.375 1.00 0.00 N ATOM 148 CA ILE A 10 44.829 -16.797 19.956 1.00 0.00 C ATOM 149 C ILE A 10 44.872 -18.320 19.754 1.00 0.00 C ATOM 150 O ILE A 10 44.286 -18.820 18.797 1.00 0.00 O ATOM 151 CB ILE A 10 46.110 -16.101 19.442 1.00 0.00 C ATOM 152 CG1 ILE A 10 45.958 -14.565 19.478 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.419 -16.514 17.991 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.303 -13.845 19.607 1.00 0.00 C ATOM 0 H ILE A 10 45.331 -15.969 21.825 1.00 0.00 H new ATOM 0 HA ILE A 10 44.008 -16.402 19.358 1.00 0.00 H new ATOM 0 HB ILE A 10 46.923 -16.410 20.098 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.457 -14.231 18.569 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.319 -14.286 20.315 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.325 -16.010 17.654 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.565 -17.593 17.943 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.586 -16.232 17.347 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.138 -12.768 19.628 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.795 -14.155 20.529 1.00 0.00 H new ATOM 0 HD13 ILE A 10 47.935 -14.099 18.756 1.00 0.00 H new ATOM 166 N GLN A 11 45.481 -19.085 20.672 1.00 0.00 N ATOM 167 CA GLN A 11 45.466 -20.555 20.614 1.00 0.00 C ATOM 168 C GLN A 11 44.029 -21.109 20.671 1.00 0.00 C ATOM 169 O GLN A 11 43.698 -22.011 19.903 1.00 0.00 O ATOM 170 CB GLN A 11 46.349 -21.168 21.716 1.00 0.00 C ATOM 171 CG GLN A 11 47.848 -20.887 21.534 1.00 0.00 C ATOM 172 CD GLN A 11 48.436 -21.488 20.257 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.998 -22.502 19.729 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.461 -20.878 19.706 1.00 0.00 N ATOM 0 H GLN A 11 45.993 -18.707 21.469 1.00 0.00 H new ATOM 0 HA GLN A 11 45.889 -20.848 19.653 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.030 -20.779 22.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.191 -22.246 21.738 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.008 -19.809 21.524 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.390 -21.282 22.394 1.00 0.00 H new ATOM 0 HE21 GLN A 11 49.840 -20.032 20.131 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.878 -21.251 18.853 1.00 0.00 H new ATOM 183 N ARG A 12 43.136 -20.540 21.499 1.00 0.00 N ATOM 184 CA ARG A 12 41.708 -20.930 21.530 1.00 0.00 C ATOM 185 C ARG A 12 41.020 -20.625 20.194 1.00 0.00 C ATOM 186 O ARG A 12 40.219 -21.430 19.715 1.00 0.00 O ATOM 187 CB ARG A 12 40.970 -20.245 22.697 1.00 0.00 C ATOM 188 CG ARG A 12 41.511 -20.616 24.089 1.00 0.00 C ATOM 189 CD ARG A 12 41.330 -22.098 24.456 1.00 0.00 C ATOM 190 NE ARG A 12 39.902 -22.451 24.601 1.00 0.00 N ATOM 191 CZ ARG A 12 39.310 -23.589 24.283 1.00 0.00 C ATOM 192 NH1 ARG A 12 39.939 -24.592 23.743 1.00 0.00 N ATOM 193 NH2 ARG A 12 38.037 -23.742 24.510 1.00 0.00 N ATOM 0 H ARG A 12 43.377 -19.803 22.162 1.00 0.00 H new ATOM 0 HA ARG A 12 41.664 -22.007 21.690 1.00 0.00 H new ATOM 0 HB2 ARG A 12 41.036 -19.164 22.570 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.913 -20.508 22.648 1.00 0.00 H new ATOM 0 HG2 ARG A 12 42.572 -20.368 24.133 1.00 0.00 H new ATOM 0 HG3 ARG A 12 41.009 -20.003 24.838 1.00 0.00 H new ATOM 0 HD2 ARG A 12 41.784 -22.722 23.686 1.00 0.00 H new ATOM 0 HD3 ARG A 12 41.854 -22.310 25.388 1.00 0.00 H new ATOM 0 HE ARG A 12 39.300 -21.728 24.995 1.00 0.00 H new ATOM 0 HH11 ARG A 12 40.937 -24.521 23.546 1.00 0.00 H new ATOM 0 HH12 ARG A 12 39.434 -25.449 23.517 1.00 0.00 H new ATOM 0 HH21 ARG A 12 37.500 -22.985 24.932 1.00 0.00 H new ATOM 0 HH22 ARG A 12 37.577 -24.619 24.266 1.00 0.00 H new ATOM 207 N CYS A 13 41.372 -19.507 19.552 1.00 0.00 N ATOM 208 CA CYS A 13 40.870 -19.161 18.217 1.00 0.00 C ATOM 209 C CYS A 13 41.387 -20.158 17.162 1.00 0.00 C ATOM 210 O CYS A 13 40.622 -20.590 16.304 1.00 0.00 O ATOM 211 CB CYS A 13 41.247 -17.717 17.854 1.00 0.00 C ATOM 212 SG CYS A 13 40.524 -16.552 19.047 1.00 0.00 S ATOM 0 H CYS A 13 42.013 -18.816 19.942 1.00 0.00 H new ATOM 0 HA CYS A 13 39.782 -19.229 18.230 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.332 -17.610 17.843 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.894 -17.484 16.849 1.00 0.00 H new ATOM 0 HG CYS A 13 41.140 -16.659 20.187 1.00 0.00 H new ATOM 218 N ILE A 14 42.656 -20.580 17.245 1.00 0.00 N ATOM 219 CA ILE A 14 43.245 -21.598 16.357 1.00 0.00 C ATOM 220 C ILE A 14 42.479 -22.918 16.511 1.00 0.00 C ATOM 221 O ILE A 14 42.054 -23.485 15.508 1.00 0.00 O ATOM 222 CB ILE A 14 44.763 -21.745 16.624 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.495 -20.487 16.109 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.356 -22.999 15.955 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.876 -20.263 16.722 1.00 0.00 C ATOM 0 H ILE A 14 43.312 -20.221 17.938 1.00 0.00 H new ATOM 0 HA ILE A 14 43.148 -21.284 15.318 1.00 0.00 H new ATOM 0 HB ILE A 14 44.902 -21.854 17.700 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.599 -20.560 15.026 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.876 -19.613 16.311 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.423 -23.057 16.172 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.858 -23.888 16.342 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.208 -22.941 14.877 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.317 -19.358 16.304 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.781 -20.154 17.802 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.516 -21.116 16.498 1.00 0.00 H new ATOM 237 N GLN A 15 42.228 -23.380 17.744 1.00 0.00 N ATOM 238 CA GLN A 15 41.420 -24.584 18.000 1.00 0.00 C ATOM 239 C GLN A 15 40.014 -24.459 17.384 1.00 0.00 C ATOM 240 O GLN A 15 39.530 -25.401 16.756 1.00 0.00 O ATOM 241 CB GLN A 15 41.303 -24.855 19.504 1.00 0.00 C ATOM 242 CG GLN A 15 42.639 -25.286 20.122 1.00 0.00 C ATOM 243 CD GLN A 15 42.425 -25.812 21.533 1.00 0.00 C ATOM 244 OE1 GLN A 15 42.471 -25.092 22.524 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.125 -27.085 21.656 1.00 0.00 N ATOM 0 H GLN A 15 42.578 -22.932 18.591 1.00 0.00 H new ATOM 0 HA GLN A 15 41.931 -25.422 17.527 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.946 -23.956 20.006 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.558 -25.633 19.674 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.100 -26.058 19.505 1.00 0.00 H new ATOM 0 HG3 GLN A 15 43.327 -24.441 20.142 1.00 0.00 H new ATOM 0 HE21 GLN A 15 42.087 -27.682 20.830 1.00 0.00 H new ATOM 0 HE22 GLN A 15 41.930 -27.476 22.578 1.00 0.00 H new ATOM 254 N SER A 16 39.377 -23.292 17.522 1.00 0.00 N ATOM 255 CA SER A 16 38.051 -23.012 16.952 1.00 0.00 C ATOM 256 C SER A 16 38.052 -23.059 15.418 1.00 0.00 C ATOM 257 O SER A 16 37.159 -23.664 14.824 1.00 0.00 O ATOM 258 CB SER A 16 37.539 -21.646 17.415 1.00 0.00 C ATOM 259 OG SER A 16 37.361 -21.613 18.822 1.00 0.00 O ATOM 0 H SER A 16 39.770 -22.505 18.038 1.00 0.00 H new ATOM 0 HA SER A 16 37.387 -23.797 17.314 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.245 -20.871 17.117 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.593 -21.423 16.921 1.00 0.00 H new ATOM 0 HG SER A 16 38.235 -21.554 19.261 1.00 0.00 H new ATOM 265 N LEU A 17 39.054 -22.464 14.756 1.00 0.00 N ATOM 266 CA LEU A 17 39.176 -22.493 13.293 1.00 0.00 C ATOM 267 C LEU A 17 39.499 -23.913 12.796 1.00 0.00 C ATOM 268 O LEU A 17 38.895 -24.371 11.829 1.00 0.00 O ATOM 269 CB LEU A 17 40.220 -21.454 12.837 1.00 0.00 C ATOM 270 CG LEU A 17 40.383 -21.337 11.306 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.081 -21.017 10.560 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.394 -20.237 10.980 1.00 0.00 C ATOM 0 H LEU A 17 39.802 -21.949 15.220 1.00 0.00 H new ATOM 0 HA LEU A 17 38.221 -22.221 12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.941 -20.479 13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.185 -21.712 13.273 1.00 0.00 H new ATOM 0 HG LEU A 17 40.720 -22.318 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.281 -20.952 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.352 -21.806 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.684 -20.066 10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.508 -20.156 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 41.040 -19.287 11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.357 -20.483 11.429 1.00 0.00 H new ATOM 284 N VAL A 18 40.394 -24.637 13.477 1.00 0.00 N ATOM 285 CA VAL A 18 40.736 -26.040 13.172 1.00 0.00 C ATOM 286 C VAL A 18 39.488 -26.926 13.274 1.00 0.00 C ATOM 287 O VAL A 18 39.240 -27.738 12.380 1.00 0.00 O ATOM 288 CB VAL A 18 41.868 -26.535 14.098 1.00 0.00 C ATOM 289 CG1 VAL A 18 42.017 -28.059 14.091 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.215 -25.936 13.677 1.00 0.00 C ATOM 0 H VAL A 18 40.913 -24.262 14.271 1.00 0.00 H new ATOM 0 HA VAL A 18 41.102 -26.101 12.147 1.00 0.00 H new ATOM 0 HB VAL A 18 41.591 -26.211 15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.828 -28.348 14.760 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.087 -28.517 14.428 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.242 -28.398 13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.998 -26.298 14.343 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.442 -26.235 12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.164 -24.849 13.735 1.00 0.00 H new ATOM 300 N HIS A 19 38.676 -26.755 14.324 1.00 0.00 N ATOM 301 CA HIS A 19 37.398 -27.455 14.483 1.00 0.00 C ATOM 302 C HIS A 19 36.474 -27.116 13.301 1.00 0.00 C ATOM 303 O HIS A 19 36.017 -28.022 12.605 1.00 0.00 O ATOM 304 CB HIS A 19 36.758 -27.084 15.836 1.00 0.00 C ATOM 305 CG HIS A 19 35.369 -27.654 16.051 1.00 0.00 C ATOM 306 ND1 HIS A 19 35.014 -28.675 16.907 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.213 -27.237 15.442 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.684 -28.866 16.802 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.144 -28.016 15.908 1.00 0.00 N ATOM 0 H HIS A 19 38.891 -26.121 15.094 1.00 0.00 H new ATOM 0 HA HIS A 19 37.563 -28.532 14.482 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.408 -27.432 16.639 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.708 -25.998 15.914 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.138 -26.437 14.720 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.126 -29.603 17.361 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.165 -27.952 15.629 1.00 0.00 H new ATOM 317 N ALA A 20 36.239 -25.827 13.028 1.00 0.00 N ATOM 318 CA ALA A 20 35.388 -25.358 11.932 1.00 0.00 C ATOM 319 C ALA A 20 35.810 -25.865 10.540 1.00 0.00 C ATOM 320 O ALA A 20 34.953 -26.107 9.690 1.00 0.00 O ATOM 321 CB ALA A 20 35.362 -23.830 11.975 1.00 0.00 C ATOM 0 H ALA A 20 36.644 -25.067 13.575 1.00 0.00 H new ATOM 0 HA ALA A 20 34.392 -25.774 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.734 -23.454 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.959 -23.500 12.932 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.375 -23.445 11.856 1.00 0.00 H new ATOM 327 N CYS A 21 37.112 -26.060 10.302 1.00 0.00 N ATOM 328 CA CYS A 21 37.636 -26.609 9.046 1.00 0.00 C ATOM 329 C CYS A 21 37.233 -28.085 8.827 1.00 0.00 C ATOM 330 O CYS A 21 37.216 -28.556 7.687 1.00 0.00 O ATOM 331 CB CYS A 21 39.162 -26.439 9.026 1.00 0.00 C ATOM 332 SG CYS A 21 39.574 -24.688 8.773 1.00 0.00 S ATOM 0 H CYS A 21 37.839 -25.839 10.983 1.00 0.00 H new ATOM 0 HA CYS A 21 37.193 -26.054 8.219 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.590 -26.792 9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.595 -27.044 8.230 1.00 0.00 H new ATOM 0 HG CYS A 21 39.429 -24.042 9.892 1.00 0.00 H new ATOM 338 N GLN A 22 36.860 -28.809 9.889 1.00 0.00 N ATOM 339 CA GLN A 22 36.427 -30.214 9.858 1.00 0.00 C ATOM 340 C GLN A 22 34.903 -30.340 10.041 1.00 0.00 C ATOM 341 O GLN A 22 34.273 -31.214 9.442 1.00 0.00 O ATOM 342 CB GLN A 22 37.157 -30.980 10.974 1.00 0.00 C ATOM 343 CG GLN A 22 38.681 -31.018 10.778 1.00 0.00 C ATOM 344 CD GLN A 22 39.388 -31.466 12.052 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.631 -32.642 12.290 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.738 -30.541 12.919 1.00 0.00 N ATOM 0 H GLN A 22 36.851 -28.418 10.831 1.00 0.00 H new ATOM 0 HA GLN A 22 36.675 -30.636 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 22 36.931 -30.515 11.934 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.776 -32.000 11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.929 -31.698 9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.038 -30.030 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.538 -29.560 12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.209 -30.805 13.784 1.00 0.00 H new ATOM 355 N CYS A 23 34.317 -29.448 10.844 1.00 0.00 N ATOM 356 CA CYS A 23 32.890 -29.349 11.118 1.00 0.00 C ATOM 357 C CYS A 23 32.117 -28.833 9.885 1.00 0.00 C ATOM 358 O CYS A 23 32.694 -28.212 8.984 1.00 0.00 O ATOM 359 CB CYS A 23 32.720 -28.452 12.353 1.00 0.00 C ATOM 360 SG CYS A 23 31.079 -28.659 13.100 1.00 0.00 S ATOM 0 H CYS A 23 34.857 -28.742 11.344 1.00 0.00 H new ATOM 0 HA CYS A 23 32.465 -30.330 11.329 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.489 -28.692 13.088 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.864 -27.409 12.070 1.00 0.00 H new ATOM 0 HG CYS A 23 31.180 -29.381 14.176 1.00 0.00 H new ATOM 365 N ARG A 24 30.804 -29.088 9.824 1.00 0.00 N ATOM 366 CA ARG A 24 29.942 -28.720 8.678 1.00 0.00 C ATOM 367 C ARG A 24 28.600 -28.076 9.044 1.00 0.00 C ATOM 368 O ARG A 24 28.007 -27.419 8.189 1.00 0.00 O ATOM 369 CB ARG A 24 29.724 -29.965 7.793 1.00 0.00 C ATOM 370 CG ARG A 24 31.005 -30.573 7.184 1.00 0.00 C ATOM 371 CD ARG A 24 31.708 -29.640 6.184 1.00 0.00 C ATOM 372 NE ARG A 24 32.978 -30.217 5.696 1.00 0.00 N ATOM 373 CZ ARG A 24 34.208 -29.857 6.029 1.00 0.00 C ATOM 374 NH1 ARG A 24 34.470 -28.961 6.934 1.00 0.00 N ATOM 375 NH2 ARG A 24 35.238 -30.396 5.443 1.00 0.00 N ATOM 0 H ARG A 24 30.299 -29.560 10.573 1.00 0.00 H new ATOM 0 HA ARG A 24 30.476 -27.939 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.225 -30.730 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.046 -29.700 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.698 -30.821 7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.752 -31.507 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 24 31.047 -29.449 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.904 -28.679 6.659 1.00 0.00 H new ATOM 0 HE ARG A 24 32.898 -30.981 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.708 -28.497 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 24 35.438 -28.723 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 24 35.102 -31.103 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 24 36.181 -30.112 5.707 1.00 0.00 H new ATOM 389 N ASN A 25 28.113 -28.226 10.279 1.00 0.00 N ATOM 390 CA ASN A 25 26.857 -27.640 10.735 1.00 0.00 C ATOM 391 C ASN A 25 26.815 -26.109 10.617 1.00 0.00 C ATOM 392 O ASN A 25 27.739 -25.416 11.049 1.00 0.00 O ATOM 393 CB ASN A 25 26.727 -28.011 12.209 1.00 0.00 C ATOM 394 CG ASN A 25 25.319 -28.023 12.745 1.00 0.00 C ATOM 395 OD1 ASN A 25 24.462 -27.219 12.404 1.00 0.00 O ATOM 396 ND2 ASN A 25 25.086 -28.963 13.620 1.00 0.00 N ATOM 0 H ASN A 25 28.591 -28.768 10.999 1.00 0.00 H new ATOM 0 HA ASN A 25 26.048 -28.020 10.111 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.164 -28.998 12.359 1.00 0.00 H new ATOM 0 HB3 ASN A 25 27.317 -27.308 12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.163 -29.046 14.046 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.827 -29.614 13.878 1.00 0.00 H new ATOM 403 N ALA A 26 25.702 -25.586 10.121 1.00 0.00 N ATOM 404 CA ALA A 26 25.419 -24.156 10.037 1.00 0.00 C ATOM 405 C ALA A 26 25.251 -23.482 11.410 1.00 0.00 C ATOM 406 O ALA A 26 25.492 -22.277 11.550 1.00 0.00 O ATOM 407 CB ALA A 26 24.117 -24.064 9.249 1.00 0.00 C ATOM 0 H ALA A 26 24.945 -26.163 9.753 1.00 0.00 H new ATOM 0 HA ALA A 26 26.253 -23.635 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.831 -23.018 9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.256 -24.507 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.331 -24.601 9.780 1.00 0.00 H new ATOM 413 N ASN A 27 24.818 -24.263 12.405 1.00 0.00 N ATOM 414 CA ASN A 27 24.486 -23.841 13.766 1.00 0.00 C ATOM 415 C ASN A 27 25.127 -24.763 14.834 1.00 0.00 C ATOM 416 O ASN A 27 24.460 -25.166 15.792 1.00 0.00 O ATOM 417 CB ASN A 27 22.946 -23.757 13.898 1.00 0.00 C ATOM 418 CG ASN A 27 22.222 -22.979 12.806 1.00 0.00 C ATOM 419 OD1 ASN A 27 21.235 -23.433 12.245 1.00 0.00 O ATOM 420 ND2 ASN A 27 22.675 -21.798 12.448 1.00 0.00 N ATOM 0 H ASN A 27 24.683 -25.265 12.272 1.00 0.00 H new ATOM 0 HA ASN A 27 24.908 -22.853 13.952 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.547 -24.771 13.919 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.708 -23.301 14.859 1.00 0.00 H new ATOM 0 HD21 ASN A 27 22.204 -21.273 11.711 1.00 0.00 H new ATOM 0 HD22 ASN A 27 23.497 -21.407 12.907 1.00 0.00 H new ATOM 427 N CYS A 28 26.414 -25.112 14.666 1.00 0.00 N ATOM 428 CA CYS A 28 27.182 -25.943 15.607 1.00 0.00 C ATOM 429 C CYS A 28 27.086 -25.387 17.047 1.00 0.00 C ATOM 430 O CYS A 28 26.994 -24.172 17.246 1.00 0.00 O ATOM 431 CB CYS A 28 28.642 -25.996 15.123 1.00 0.00 C ATOM 432 SG CYS A 28 29.611 -27.249 16.025 1.00 0.00 S ATOM 0 H CYS A 28 26.960 -24.818 13.856 1.00 0.00 H new ATOM 0 HA CYS A 28 26.769 -26.951 15.633 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.663 -26.219 14.056 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.104 -25.017 15.253 1.00 0.00 H new ATOM 0 HG CYS A 28 30.225 -28.017 15.175 1.00 0.00 H new ATOM 437 N SER A 29 27.093 -26.246 18.069 1.00 0.00 N ATOM 438 CA SER A 29 26.957 -25.812 19.470 1.00 0.00 C ATOM 439 C SER A 29 28.068 -24.877 19.980 1.00 0.00 C ATOM 440 O SER A 29 27.855 -24.181 20.979 1.00 0.00 O ATOM 441 CB SER A 29 26.791 -27.016 20.404 1.00 0.00 C ATOM 442 OG SER A 29 27.929 -27.864 20.363 1.00 0.00 O ATOM 0 H SER A 29 27.192 -27.255 17.955 1.00 0.00 H new ATOM 0 HA SER A 29 26.051 -25.206 19.483 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.632 -26.668 21.424 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.904 -27.581 20.118 1.00 0.00 H new ATOM 0 HG SER A 29 27.794 -28.622 20.970 1.00 0.00 H new ATOM 448 N LEU A 30 29.217 -24.790 19.297 1.00 0.00 N ATOM 449 CA LEU A 30 30.283 -23.840 19.634 1.00 0.00 C ATOM 450 C LEU A 30 29.959 -22.453 19.032 1.00 0.00 C ATOM 451 O LEU A 30 29.696 -22.354 17.829 1.00 0.00 O ATOM 452 CB LEU A 30 31.643 -24.342 19.117 1.00 0.00 C ATOM 453 CG LEU A 30 32.341 -25.373 20.021 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.636 -25.838 19.351 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.713 -24.795 21.392 1.00 0.00 C ATOM 0 H LEU A 30 29.433 -25.379 18.493 1.00 0.00 H new ATOM 0 HA LEU A 30 30.343 -23.753 20.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.499 -24.784 18.131 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.305 -23.486 18.989 1.00 0.00 H new ATOM 0 HG LEU A 30 31.639 -26.194 20.166 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.134 -26.569 19.989 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.404 -26.294 18.389 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.294 -24.983 19.198 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.203 -25.564 21.990 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.391 -23.952 21.260 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.810 -24.458 21.902 1.00 0.00 H new ATOM 467 N PRO A 31 29.994 -21.364 19.829 1.00 0.00 N ATOM 468 CA PRO A 31 29.697 -20.015 19.339 1.00 0.00 C ATOM 469 C PRO A 31 30.723 -19.527 18.303 1.00 0.00 C ATOM 470 O PRO A 31 30.363 -18.821 17.359 1.00 0.00 O ATOM 471 CB PRO A 31 29.668 -19.128 20.590 1.00 0.00 C ATOM 472 CG PRO A 31 30.552 -19.872 21.591 1.00 0.00 C ATOM 473 CD PRO A 31 30.310 -21.336 21.250 1.00 0.00 C ATOM 0 HA PRO A 31 28.746 -19.987 18.807 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.054 -18.130 20.381 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.653 -19.004 20.968 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.602 -19.601 21.480 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.272 -19.647 22.620 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.192 -21.939 21.467 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.491 -21.745 21.841 1.00 0.00 H new ATOM 481 N SER A 32 31.992 -19.921 18.451 1.00 0.00 N ATOM 482 CA SER A 32 33.070 -19.574 17.522 1.00 0.00 C ATOM 483 C SER A 32 32.968 -20.342 16.200 1.00 0.00 C ATOM 484 O SER A 32 33.075 -19.720 15.152 1.00 0.00 O ATOM 485 CB SER A 32 34.429 -19.815 18.179 1.00 0.00 C ATOM 486 OG SER A 32 34.496 -21.128 18.714 1.00 0.00 O ATOM 0 H SER A 32 32.303 -20.499 19.232 1.00 0.00 H new ATOM 0 HA SER A 32 32.968 -18.515 17.284 1.00 0.00 H new ATOM 0 HB2 SER A 32 35.224 -19.673 17.447 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.591 -19.084 18.971 1.00 0.00 H new ATOM 0 HG SER A 32 35.434 -21.383 18.839 1.00 0.00 H new ATOM 492 N CYS A 33 32.727 -21.657 16.215 1.00 0.00 N ATOM 493 CA CYS A 33 32.569 -22.513 15.028 1.00 0.00 C ATOM 494 C CYS A 33 31.586 -21.918 13.993 1.00 0.00 C ATOM 495 O CYS A 33 31.920 -21.773 12.811 1.00 0.00 O ATOM 496 CB CYS A 33 32.144 -23.905 15.529 1.00 0.00 C ATOM 497 SG CYS A 33 31.942 -25.119 14.189 1.00 0.00 S ATOM 0 H CYS A 33 32.632 -22.177 17.087 1.00 0.00 H new ATOM 0 HA CYS A 33 33.512 -22.586 14.486 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.889 -24.273 16.235 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.205 -23.816 16.075 1.00 0.00 H new ATOM 0 HG CYS A 33 31.225 -26.117 14.612 1.00 0.00 H new ATOM 502 N GLN A 34 30.402 -21.477 14.448 1.00 0.00 N ATOM 503 CA GLN A 34 29.401 -20.817 13.597 1.00 0.00 C ATOM 504 C GLN A 34 29.959 -19.576 12.871 1.00 0.00 C ATOM 505 O GLN A 34 29.624 -19.333 11.709 1.00 0.00 O ATOM 506 CB GLN A 34 28.180 -20.394 14.436 1.00 0.00 C ATOM 507 CG GLN A 34 27.385 -21.571 15.025 1.00 0.00 C ATOM 508 CD GLN A 34 26.104 -21.117 15.734 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.427 -20.178 15.334 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.685 -21.777 16.793 1.00 0.00 N ATOM 0 H GLN A 34 30.112 -21.569 15.421 1.00 0.00 H new ATOM 0 HA GLN A 34 29.111 -21.547 12.841 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.517 -19.753 15.251 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.515 -19.795 13.814 1.00 0.00 H new ATOM 0 HG2 GLN A 34 27.128 -22.267 14.227 1.00 0.00 H new ATOM 0 HG3 GLN A 34 28.014 -22.114 15.730 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.226 -22.564 17.151 1.00 0.00 H new ATOM 0 HE22 GLN A 34 24.819 -21.502 17.256 1.00 0.00 H new ATOM 519 N LYS A 35 30.829 -18.806 13.534 1.00 0.00 N ATOM 520 CA LYS A 35 31.474 -17.603 12.996 1.00 0.00 C ATOM 521 C LYS A 35 32.649 -17.968 12.089 1.00 0.00 C ATOM 522 O LYS A 35 32.750 -17.446 10.983 1.00 0.00 O ATOM 523 CB LYS A 35 31.889 -16.737 14.201 1.00 0.00 C ATOM 524 CG LYS A 35 32.506 -15.383 13.840 1.00 0.00 C ATOM 525 CD LYS A 35 32.818 -14.619 15.137 1.00 0.00 C ATOM 526 CE LYS A 35 33.461 -13.273 14.798 1.00 0.00 C ATOM 527 NZ LYS A 35 33.761 -12.467 16.009 1.00 0.00 N ATOM 0 H LYS A 35 31.113 -19.010 14.492 1.00 0.00 H new ATOM 0 HA LYS A 35 30.791 -17.036 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.012 -16.565 14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.605 -17.297 14.803 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.416 -15.526 13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.818 -14.808 13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.903 -14.463 15.708 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.489 -15.206 15.764 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.382 -13.444 14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.794 -12.709 14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.611 -11.891 15.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.956 -11.843 16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.927 -13.102 16.816 1.00 0.00 H new ATOM 541 N MET A 36 33.492 -18.911 12.508 1.00 0.00 N ATOM 542 CA MET A 36 34.646 -19.415 11.754 1.00 0.00 C ATOM 543 C MET A 36 34.252 -19.970 10.381 1.00 0.00 C ATOM 544 O MET A 36 34.950 -19.736 9.393 1.00 0.00 O ATOM 545 CB MET A 36 35.369 -20.485 12.581 1.00 0.00 C ATOM 546 CG MET A 36 36.078 -19.915 13.810 1.00 0.00 C ATOM 547 SD MET A 36 37.420 -18.770 13.383 1.00 0.00 S ATOM 548 CE MET A 36 38.325 -18.746 14.945 1.00 0.00 C ATOM 0 H MET A 36 33.389 -19.364 13.416 1.00 0.00 H new ATOM 0 HA MET A 36 35.316 -18.575 11.570 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.648 -21.237 12.901 1.00 0.00 H new ATOM 0 HB3 MET A 36 36.099 -20.992 11.950 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.351 -19.397 14.435 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.482 -20.735 14.403 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.226 -18.142 14.834 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.694 -18.318 15.724 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.602 -19.764 15.221 1.00 0.00 H new ATOM 558 N LYS A 37 33.105 -20.654 10.290 1.00 0.00 N ATOM 559 CA LYS A 37 32.565 -21.135 9.012 1.00 0.00 C ATOM 560 C LYS A 37 32.196 -19.966 8.100 1.00 0.00 C ATOM 561 O LYS A 37 32.609 -19.948 6.946 1.00 0.00 O ATOM 562 CB LYS A 37 31.351 -22.038 9.267 1.00 0.00 C ATOM 563 CG LYS A 37 31.809 -23.417 9.753 1.00 0.00 C ATOM 564 CD LYS A 37 30.641 -24.195 10.352 1.00 0.00 C ATOM 565 CE LYS A 37 31.131 -25.577 10.777 1.00 0.00 C ATOM 566 NZ LYS A 37 30.354 -26.066 11.925 1.00 0.00 N ATOM 0 H LYS A 37 32.527 -20.889 11.097 1.00 0.00 H new ATOM 0 HA LYS A 37 33.333 -21.718 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.698 -21.581 10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.768 -22.142 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.237 -23.977 8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.596 -23.302 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.232 -23.660 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.837 -24.289 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.039 -26.274 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.188 -25.530 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.488 -27.093 12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.678 -25.590 12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.346 -25.862 11.774 1.00 0.00 H new ATOM 580 N ARG A 38 31.488 -18.950 8.609 1.00 0.00 N ATOM 581 CA ARG A 38 31.095 -17.761 7.829 1.00 0.00 C ATOM 582 C ARG A 38 32.330 -16.972 7.376 1.00 0.00 C ATOM 583 O ARG A 38 32.372 -16.487 6.248 1.00 0.00 O ATOM 584 CB ARG A 38 30.069 -16.951 8.644 1.00 0.00 C ATOM 585 CG ARG A 38 28.737 -17.730 8.728 1.00 0.00 C ATOM 586 CD ARG A 38 27.778 -17.191 9.797 1.00 0.00 C ATOM 587 NE ARG A 38 26.469 -17.886 9.756 1.00 0.00 N ATOM 588 CZ ARG A 38 26.161 -19.087 10.224 1.00 0.00 C ATOM 589 NH1 ARG A 38 27.011 -19.864 10.827 1.00 0.00 N ATOM 590 NH2 ARG A 38 24.959 -19.568 10.097 1.00 0.00 N ATOM 0 H ARG A 38 31.168 -18.926 9.577 1.00 0.00 H new ATOM 0 HA ARG A 38 30.601 -18.046 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.454 -16.762 9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 38 29.904 -15.980 8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.243 -17.694 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.951 -18.778 8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.225 -17.314 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 38 27.628 -16.122 9.646 1.00 0.00 H new ATOM 0 HE ARG A 38 25.708 -17.374 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.975 -19.559 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.714 -20.779 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 38 24.237 -19.019 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 38 24.739 -20.494 10.463 1.00 0.00 H new ATOM 604 N VAL A 39 33.365 -16.926 8.216 1.00 0.00 N ATOM 605 CA VAL A 39 34.679 -16.322 7.940 1.00 0.00 C ATOM 606 C VAL A 39 35.415 -17.041 6.802 1.00 0.00 C ATOM 607 O VAL A 39 35.783 -16.387 5.825 1.00 0.00 O ATOM 608 CB VAL A 39 35.515 -16.330 9.238 1.00 0.00 C ATOM 609 CG1 VAL A 39 37.000 -16.042 9.055 1.00 0.00 C ATOM 610 CG2 VAL A 39 35.018 -15.275 10.217 1.00 0.00 C ATOM 0 H VAL A 39 33.312 -17.326 9.153 1.00 0.00 H new ATOM 0 HA VAL A 39 34.529 -15.295 7.607 1.00 0.00 H new ATOM 0 HB VAL A 39 35.392 -17.350 9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.498 -16.070 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.438 -16.794 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.127 -15.055 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.625 -15.304 11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.095 -14.289 9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.978 -15.476 10.472 1.00 0.00 H new ATOM 620 N VAL A 40 35.620 -18.367 6.877 1.00 0.00 N ATOM 621 CA VAL A 40 36.309 -19.093 5.789 1.00 0.00 C ATOM 622 C VAL A 40 35.491 -19.038 4.495 1.00 0.00 C ATOM 623 O VAL A 40 36.059 -18.769 3.441 1.00 0.00 O ATOM 624 CB VAL A 40 36.737 -20.525 6.178 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.611 -21.562 6.164 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.845 -21.010 5.232 1.00 0.00 C ATOM 0 H VAL A 40 35.327 -18.951 7.661 1.00 0.00 H new ATOM 0 HA VAL A 40 37.249 -18.573 5.603 1.00 0.00 H new ATOM 0 HB VAL A 40 37.079 -20.447 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 40 36.009 -22.535 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.835 -21.266 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.186 -21.624 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.144 -22.021 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.474 -21.010 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.705 -20.344 5.307 1.00 0.00 H new ATOM 636 N GLN A 41 34.164 -19.216 4.559 1.00 0.00 N ATOM 637 CA GLN A 41 33.258 -19.109 3.406 1.00 0.00 C ATOM 638 C GLN A 41 33.357 -17.742 2.723 1.00 0.00 C ATOM 639 O GLN A 41 33.382 -17.676 1.492 1.00 0.00 O ATOM 640 CB GLN A 41 31.810 -19.362 3.842 1.00 0.00 C ATOM 641 CG GLN A 41 31.511 -20.849 4.137 1.00 0.00 C ATOM 642 CD GLN A 41 31.784 -21.782 2.958 1.00 0.00 C ATOM 643 OE1 GLN A 41 32.774 -22.503 2.919 1.00 0.00 O ATOM 644 NE2 GLN A 41 30.937 -21.802 1.951 1.00 0.00 N ATOM 0 H GLN A 41 33.681 -19.442 5.429 1.00 0.00 H new ATOM 0 HA GLN A 41 33.563 -19.867 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.598 -18.772 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.136 -19.011 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.113 -21.169 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.466 -20.948 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 41 30.109 -21.207 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.109 -22.412 1.152 1.00 0.00 H new ATOM 653 N HIS A 42 33.455 -16.661 3.503 1.00 0.00 N ATOM 654 CA HIS A 42 33.663 -15.323 2.954 1.00 0.00 C ATOM 655 C HIS A 42 35.000 -15.262 2.182 1.00 0.00 C ATOM 656 O HIS A 42 35.015 -14.979 0.980 1.00 0.00 O ATOM 657 CB HIS A 42 33.601 -14.275 4.084 1.00 0.00 C ATOM 658 CG HIS A 42 34.246 -12.979 3.673 1.00 0.00 C ATOM 659 ND1 HIS A 42 33.795 -12.154 2.668 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.565 -12.664 3.893 1.00 0.00 C ATOM 661 CE1 HIS A 42 34.831 -11.405 2.258 1.00 0.00 C ATOM 662 NE2 HIS A 42 35.935 -11.683 2.969 1.00 0.00 N ATOM 0 H HIS A 42 33.393 -16.690 4.521 1.00 0.00 H new ATOM 0 HA HIS A 42 32.868 -15.094 2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.561 -14.094 4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.100 -14.665 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.204 -13.098 4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.783 -10.676 1.462 1.00 0.00 H new ATOM 0 HE2 HIS A 42 36.858 -11.263 2.857 1.00 0.00 H new ATOM 670 N THR A 43 36.121 -15.554 2.851 1.00 0.00 N ATOM 671 CA THR A 43 37.468 -15.473 2.258 1.00 0.00 C ATOM 672 C THR A 43 37.661 -16.385 1.047 1.00 0.00 C ATOM 673 O THR A 43 38.339 -15.993 0.092 1.00 0.00 O ATOM 674 CB THR A 43 38.529 -15.713 3.338 1.00 0.00 C ATOM 675 OG1 THR A 43 38.562 -14.585 4.171 1.00 0.00 O ATOM 676 CG2 THR A 43 39.941 -15.942 2.797 1.00 0.00 C ATOM 0 H THR A 43 36.123 -15.855 3.825 1.00 0.00 H new ATOM 0 HA THR A 43 37.587 -14.463 1.865 1.00 0.00 H new ATOM 0 HB THR A 43 38.242 -16.626 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.504 -13.773 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.627 -16.103 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.944 -16.818 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.259 -15.068 2.228 1.00 0.00 H new ATOM 684 N LYS A 44 37.020 -17.561 1.043 1.00 0.00 N ATOM 685 CA LYS A 44 36.990 -18.538 -0.062 1.00 0.00 C ATOM 686 C LYS A 44 36.480 -17.950 -1.394 1.00 0.00 C ATOM 687 O LYS A 44 36.729 -18.547 -2.443 1.00 0.00 O ATOM 688 CB LYS A 44 36.101 -19.726 0.358 1.00 0.00 C ATOM 689 CG LYS A 44 36.828 -20.869 1.081 1.00 0.00 C ATOM 690 CD LYS A 44 35.757 -21.841 1.604 1.00 0.00 C ATOM 691 CE LYS A 44 36.322 -23.102 2.259 1.00 0.00 C ATOM 692 NZ LYS A 44 35.219 -24.045 2.586 1.00 0.00 N ATOM 0 H LYS A 44 36.480 -17.876 1.849 1.00 0.00 H new ATOM 0 HA LYS A 44 38.017 -18.854 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.309 -19.353 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.619 -20.130 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.510 -21.380 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.429 -20.481 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.130 -21.319 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.112 -22.133 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.034 -23.582 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.866 -22.838 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 35.449 -24.558 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 34.335 -23.513 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 35.101 -24.725 1.808 1.00 0.00 H new ATOM 706 N GLY A 45 35.787 -16.804 -1.367 1.00 0.00 N ATOM 707 CA GLY A 45 35.235 -16.128 -2.548 1.00 0.00 C ATOM 708 C GLY A 45 35.530 -14.622 -2.645 1.00 0.00 C ATOM 709 O GLY A 45 35.214 -14.024 -3.676 1.00 0.00 O ATOM 0 H GLY A 45 35.589 -16.308 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.627 -16.616 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.154 -16.270 -2.555 1.00 0.00 H new ATOM 713 N CYS A 46 36.128 -14.000 -1.620 1.00 0.00 N ATOM 714 CA CYS A 46 36.456 -12.575 -1.618 1.00 0.00 C ATOM 715 C CYS A 46 37.511 -12.237 -2.682 1.00 0.00 C ATOM 716 O CYS A 46 38.563 -12.883 -2.773 1.00 0.00 O ATOM 717 CB CYS A 46 36.909 -12.199 -0.206 1.00 0.00 C ATOM 718 SG CYS A 46 37.315 -10.424 -0.019 1.00 0.00 S ATOM 0 H CYS A 46 36.399 -14.480 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 46 35.578 -11.986 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 46 36.122 -12.460 0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 46 37.784 -12.794 0.057 1.00 0.00 H new ATOM 0 HG CYS A 46 37.491 -10.149 1.239 1.00 0.00 H new ATOM 723 N LYS A 47 37.222 -11.208 -3.485 1.00 0.00 N ATOM 724 CA LYS A 47 38.087 -10.701 -4.563 1.00 0.00 C ATOM 725 C LYS A 47 38.894 -9.465 -4.134 1.00 0.00 C ATOM 726 O LYS A 47 39.618 -8.897 -4.954 1.00 0.00 O ATOM 727 CB LYS A 47 37.229 -10.405 -5.813 1.00 0.00 C ATOM 728 CG LYS A 47 36.372 -11.584 -6.317 1.00 0.00 C ATOM 729 CD LYS A 47 37.141 -12.883 -6.618 1.00 0.00 C ATOM 730 CE LYS A 47 38.206 -12.686 -7.704 1.00 0.00 C ATOM 731 NZ LYS A 47 38.887 -13.964 -8.040 1.00 0.00 N ATOM 0 H LYS A 47 36.350 -10.685 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 47 38.819 -11.472 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 47 36.569 -9.566 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 47 37.889 -10.086 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.608 -11.800 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.853 -11.272 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 47 37.617 -13.242 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 47 36.439 -13.654 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 47 37.741 -12.274 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 47 38.943 -11.959 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 39.600 -13.794 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 39.351 -14.344 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 38.187 -14.650 -8.388 1.00 0.00 H new ATOM 745 N ARG A 48 38.776 -9.045 -2.866 1.00 0.00 N ATOM 746 CA ARG A 48 39.458 -7.880 -2.290 1.00 0.00 C ATOM 747 C ARG A 48 40.757 -8.336 -1.618 1.00 0.00 C ATOM 748 O ARG A 48 41.836 -8.030 -2.124 1.00 0.00 O ATOM 749 CB ARG A 48 38.523 -7.203 -1.271 1.00 0.00 C ATOM 750 CG ARG A 48 37.092 -6.880 -1.743 1.00 0.00 C ATOM 751 CD ARG A 48 36.186 -6.467 -0.568 1.00 0.00 C ATOM 752 NE ARG A 48 36.078 -7.517 0.467 1.00 0.00 N ATOM 753 CZ ARG A 48 35.277 -7.541 1.511 1.00 0.00 C ATOM 754 NH1 ARG A 48 34.314 -6.684 1.705 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.423 -8.445 2.418 1.00 0.00 N ATOM 0 H ARG A 48 38.182 -9.525 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 48 39.705 -7.161 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.453 -7.847 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 48 38.991 -6.273 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.124 -6.076 -2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 48 36.667 -7.751 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 48 36.578 -5.556 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 48 35.191 -6.233 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 48 36.699 -8.319 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 48 34.148 -5.941 1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 48 33.727 -6.756 2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.161 -9.144 2.328 1.00 0.00 H new ATOM 0 HH22 ARG A 48 34.801 -8.462 3.226 1.00 0.00 H new ATOM 769 N LYS A 49 40.652 -9.106 -0.525 1.00 0.00 N ATOM 770 CA LYS A 49 41.759 -9.664 0.274 1.00 0.00 C ATOM 771 C LYS A 49 42.924 -8.704 0.583 1.00 0.00 C ATOM 772 O LYS A 49 42.746 -7.485 0.547 1.00 0.00 O ATOM 773 CB LYS A 49 42.078 -11.117 -0.151 1.00 0.00 C ATOM 774 CG LYS A 49 41.818 -11.523 -1.610 1.00 0.00 C ATOM 775 CD LYS A 49 42.011 -13.033 -1.852 1.00 0.00 C ATOM 776 CE LYS A 49 41.407 -13.992 -0.804 1.00 0.00 C ATOM 777 NZ LYS A 49 39.992 -13.692 -0.467 1.00 0.00 N ATOM 0 H LYS A 49 39.741 -9.373 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 49 41.406 -9.768 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.131 -11.303 0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.500 -11.785 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 49 40.801 -11.242 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.490 -10.966 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 49 41.582 -13.278 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 49 43.081 -13.232 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 49 41.474 -15.014 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 49 42.006 -13.946 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 39.504 -14.572 -0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 39.959 -13.025 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 39.521 -13.270 -1.292 1.00 0.00 H new ATOM 791 N THR A 50 44.099 -9.223 0.949 1.00 0.00 N ATOM 792 CA THR A 50 45.297 -8.440 1.325 1.00 0.00 C ATOM 793 C THR A 50 45.723 -7.410 0.268 1.00 0.00 C ATOM 794 O THR A 50 46.241 -6.348 0.620 1.00 0.00 O ATOM 795 CB THR A 50 46.493 -9.365 1.621 1.00 0.00 C ATOM 796 OG1 THR A 50 46.692 -10.230 0.526 1.00 0.00 O ATOM 797 CG2 THR A 50 46.297 -10.239 2.863 1.00 0.00 C ATOM 0 H THR A 50 44.256 -10.230 0.996 1.00 0.00 H new ATOM 0 HA THR A 50 45.006 -7.892 2.221 1.00 0.00 H new ATOM 0 HB THR A 50 47.347 -8.711 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.453 -10.820 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 50 47.178 -10.864 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 50 46.153 -9.603 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.421 -10.873 2.727 1.00 0.00 H new ATOM 805 N ASN A 51 45.496 -7.695 -1.021 1.00 0.00 N ATOM 806 CA ASN A 51 45.832 -6.808 -2.140 1.00 0.00 C ATOM 807 C ASN A 51 44.880 -5.598 -2.278 1.00 0.00 C ATOM 808 O ASN A 51 45.328 -4.498 -2.612 1.00 0.00 O ATOM 809 CB ASN A 51 45.836 -7.661 -3.421 1.00 0.00 C ATOM 810 CG ASN A 51 46.234 -6.859 -4.651 1.00 0.00 C ATOM 811 OD1 ASN A 51 45.402 -6.396 -5.418 1.00 0.00 O ATOM 812 ND2 ASN A 51 47.515 -6.670 -4.882 1.00 0.00 N ATOM 0 H ASN A 51 45.064 -8.569 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 51 46.813 -6.370 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 51 46.526 -8.496 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 51 44.844 -8.087 -3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 51 47.813 -6.138 -5.700 1.00 0.00 H new ATOM 0 HD22 ASN A 51 48.211 -7.055 -4.243 1.00 0.00 H new ATOM 819 N GLY A 52 43.578 -5.788 -2.029 1.00 0.00 N ATOM 820 CA GLY A 52 42.537 -4.758 -2.157 1.00 0.00 C ATOM 821 C GLY A 52 42.206 -4.013 -0.861 1.00 0.00 C ATOM 822 O GLY A 52 41.823 -2.842 -0.919 1.00 0.00 O ATOM 0 H GLY A 52 43.208 -6.688 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 52 42.854 -4.032 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 52 41.627 -5.226 -2.533 1.00 0.00 H new ATOM 826 N GLY A 53 42.367 -4.650 0.304 1.00 0.00 N ATOM 827 CA GLY A 53 42.161 -4.036 1.625 1.00 0.00 C ATOM 828 C GLY A 53 41.124 -4.699 2.543 1.00 0.00 C ATOM 829 O GLY A 53 40.805 -4.113 3.580 1.00 0.00 O ATOM 0 H GLY A 53 42.650 -5.628 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.118 -4.024 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.867 -2.997 1.475 1.00 0.00 H new ATOM 833 N CYS A 54 40.588 -5.881 2.203 1.00 0.00 N ATOM 834 CA CYS A 54 39.618 -6.588 3.045 1.00 0.00 C ATOM 835 C CYS A 54 40.215 -6.926 4.433 1.00 0.00 C ATOM 836 O CYS A 54 41.302 -7.522 4.509 1.00 0.00 O ATOM 837 CB CYS A 54 39.154 -7.838 2.301 1.00 0.00 C ATOM 838 SG CYS A 54 38.228 -9.006 3.335 1.00 0.00 S ATOM 0 H CYS A 54 40.816 -6.371 1.338 1.00 0.00 H new ATOM 0 HA CYS A 54 38.758 -5.946 3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 54 38.529 -7.538 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.024 -8.346 1.886 1.00 0.00 H new ATOM 0 HG CYS A 54 38.541 -10.223 3.002 1.00 0.00 H new ATOM 843 N PRO A 55 39.545 -6.545 5.538 1.00 0.00 N ATOM 844 CA PRO A 55 40.030 -6.814 6.883 1.00 0.00 C ATOM 845 C PRO A 55 39.776 -8.257 7.334 1.00 0.00 C ATOM 846 O PRO A 55 40.398 -8.681 8.309 1.00 0.00 O ATOM 847 CB PRO A 55 39.270 -5.826 7.774 1.00 0.00 C ATOM 848 CG PRO A 55 37.913 -5.713 7.077 1.00 0.00 C ATOM 849 CD PRO A 55 38.281 -5.818 5.596 1.00 0.00 C ATOM 0 HA PRO A 55 41.112 -6.693 6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 55 39.171 -6.196 8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.776 -4.862 7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.234 -6.509 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.419 -4.768 7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.505 -6.343 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.381 -4.829 5.149 1.00 0.00 H new ATOM 857 N VAL A 56 38.901 -9.021 6.664 1.00 0.00 N ATOM 858 CA VAL A 56 38.612 -10.405 7.058 1.00 0.00 C ATOM 859 C VAL A 56 39.702 -11.336 6.541 1.00 0.00 C ATOM 860 O VAL A 56 40.389 -11.946 7.359 1.00 0.00 O ATOM 861 CB VAL A 56 37.233 -10.910 6.595 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.883 -12.161 7.415 1.00 0.00 C ATOM 863 CG2 VAL A 56 36.102 -9.896 6.792 1.00 0.00 C ATOM 0 H VAL A 56 38.381 -8.702 5.846 1.00 0.00 H new ATOM 0 HA VAL A 56 38.592 -10.410 8.148 1.00 0.00 H new ATOM 0 HB VAL A 56 37.311 -11.105 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.909 -12.538 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.639 -12.928 7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.853 -11.905 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 56 35.163 -10.325 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 56 36.016 -9.648 7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.321 -8.992 6.224 1.00 0.00 H new ATOM 873 N CYS A 57 39.911 -11.419 5.224 1.00 0.00 N ATOM 874 CA CYS A 57 40.928 -12.260 4.600 1.00 0.00 C ATOM 875 C CYS A 57 42.315 -12.085 5.240 1.00 0.00 C ATOM 876 O CYS A 57 42.955 -13.057 5.655 1.00 0.00 O ATOM 877 CB CYS A 57 40.953 -11.907 3.114 1.00 0.00 C ATOM 878 SG CYS A 57 39.391 -12.334 2.275 1.00 0.00 S ATOM 0 H CYS A 57 39.362 -10.888 4.548 1.00 0.00 H new ATOM 0 HA CYS A 57 40.675 -13.310 4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.145 -10.840 2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 57 41.777 -12.432 2.632 1.00 0.00 H new ATOM 0 HG CYS A 57 39.037 -11.357 1.494 1.00 0.00 H new ATOM 883 N LYS A 58 42.765 -10.830 5.375 1.00 0.00 N ATOM 884 CA LYS A 58 44.016 -10.439 6.004 1.00 0.00 C ATOM 885 C LYS A 58 44.118 -10.884 7.478 1.00 0.00 C ATOM 886 O LYS A 58 45.224 -11.077 7.983 1.00 0.00 O ATOM 887 CB LYS A 58 44.109 -8.918 5.793 1.00 0.00 C ATOM 888 CG LYS A 58 45.463 -8.386 6.231 1.00 0.00 C ATOM 889 CD LYS A 58 45.830 -7.038 5.594 1.00 0.00 C ATOM 890 CE LYS A 58 47.113 -6.489 6.230 1.00 0.00 C ATOM 891 NZ LYS A 58 47.477 -5.158 5.674 1.00 0.00 N ATOM 0 H LYS A 58 42.236 -10.029 5.030 1.00 0.00 H new ATOM 0 HA LYS A 58 44.872 -10.942 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.946 -8.683 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.320 -8.421 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.468 -8.279 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.230 -9.118 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.970 -7.160 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 58 45.014 -6.328 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 58 46.979 -6.408 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.931 -7.190 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.349 -4.819 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.630 -5.240 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.707 -4.483 5.856 1.00 0.00 H new ATOM 905 N GLN A 59 42.986 -11.107 8.151 1.00 0.00 N ATOM 906 CA GLN A 59 42.919 -11.593 9.535 1.00 0.00 C ATOM 907 C GLN A 59 43.007 -13.127 9.637 1.00 0.00 C ATOM 908 O GLN A 59 43.746 -13.602 10.501 1.00 0.00 O ATOM 909 CB GLN A 59 41.673 -11.042 10.252 1.00 0.00 C ATOM 910 CG GLN A 59 41.730 -11.349 11.757 1.00 0.00 C ATOM 911 CD GLN A 59 40.706 -10.562 12.559 1.00 0.00 C ATOM 912 OE1 GLN A 59 39.646 -11.063 12.891 1.00 0.00 O ATOM 913 NE2 GLN A 59 40.980 -9.331 12.924 1.00 0.00 N ATOM 0 H GLN A 59 42.066 -10.951 7.739 1.00 0.00 H new ATOM 0 HA GLN A 59 43.801 -11.209 10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 59 41.606 -9.965 10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.774 -11.483 9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.564 -12.415 11.912 1.00 0.00 H new ATOM 0 HG3 GLN A 59 42.729 -11.124 12.131 1.00 0.00 H new ATOM 0 HE21 GLN A 59 41.865 -8.903 12.651 1.00 0.00 H new ATOM 0 HE22 GLN A 59 40.308 -8.803 13.481 1.00 0.00 H new ATOM 922 N LEU A 60 42.332 -13.911 8.772 1.00 0.00 N ATOM 923 CA LEU A 60 42.454 -15.386 8.807 1.00 0.00 C ATOM 924 C LEU A 60 43.914 -15.789 8.648 1.00 0.00 C ATOM 925 O LEU A 60 44.431 -16.603 9.400 1.00 0.00 O ATOM 926 CB LEU A 60 41.740 -16.123 7.653 1.00 0.00 C ATOM 927 CG LEU A 60 40.218 -16.224 7.678 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.609 -14.879 7.328 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.784 -17.254 6.633 1.00 0.00 C ATOM 0 H LEU A 60 41.705 -13.556 8.050 1.00 0.00 H new ATOM 0 HA LEU A 60 42.003 -15.663 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.023 -15.632 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.138 -17.137 7.612 1.00 0.00 H new ATOM 0 HG LEU A 60 39.884 -16.523 8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.522 -14.956 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.933 -14.133 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.934 -14.581 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.697 -17.340 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.120 -16.935 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.225 -18.222 6.871 1.00 0.00 H new ATOM 941 N ILE A 61 44.559 -15.224 7.630 1.00 0.00 N ATOM 942 CA ILE A 61 45.940 -15.530 7.256 1.00 0.00 C ATOM 943 C ILE A 61 46.919 -15.213 8.391 1.00 0.00 C ATOM 944 O ILE A 61 47.849 -15.988 8.595 1.00 0.00 O ATOM 945 CB ILE A 61 46.264 -14.830 5.928 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.287 -15.356 4.849 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.695 -15.084 5.429 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.490 -14.705 3.491 1.00 0.00 C ATOM 0 H ILE A 61 44.127 -14.524 7.027 1.00 0.00 H new ATOM 0 HA ILE A 61 46.055 -16.602 7.094 1.00 0.00 H new ATOM 0 HB ILE A 61 46.165 -13.759 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 61 45.411 -16.434 4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 61 44.263 -15.182 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 61 47.851 -14.558 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.408 -14.721 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.843 -16.153 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.775 -15.117 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 45.338 -13.629 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 61 46.504 -14.901 3.141 1.00 0.00 H new ATOM 960 N ALA A 62 46.695 -14.160 9.190 1.00 0.00 N ATOM 961 CA ALA A 62 47.522 -13.885 10.373 1.00 0.00 C ATOM 962 C ALA A 62 47.343 -15.028 11.386 1.00 0.00 C ATOM 963 O ALA A 62 48.312 -15.641 11.838 1.00 0.00 O ATOM 964 CB ALA A 62 47.129 -12.526 10.987 1.00 0.00 C ATOM 0 H ALA A 62 45.947 -13.484 9.038 1.00 0.00 H new ATOM 0 HA ALA A 62 48.573 -13.830 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.747 -12.330 11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.282 -11.736 10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 62 46.080 -12.549 11.281 1.00 0.00 H new ATOM 970 N LEU A 63 46.082 -15.347 11.689 1.00 0.00 N ATOM 971 CA LEU A 63 45.673 -16.415 12.607 1.00 0.00 C ATOM 972 C LEU A 63 46.272 -17.774 12.175 1.00 0.00 C ATOM 973 O LEU A 63 46.773 -18.535 13.004 1.00 0.00 O ATOM 974 CB LEU A 63 44.130 -16.379 12.676 1.00 0.00 C ATOM 975 CG LEU A 63 43.525 -16.747 14.041 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.120 -16.145 14.160 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.412 -18.256 14.222 1.00 0.00 C ATOM 0 H LEU A 63 45.287 -14.850 11.287 1.00 0.00 H new ATOM 0 HA LEU A 63 46.062 -16.266 13.614 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.794 -15.378 12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.733 -17.062 11.925 1.00 0.00 H new ATOM 0 HG LEU A 63 44.188 -16.349 14.809 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.693 -16.407 15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.180 -15.060 14.071 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.487 -16.539 13.365 1.00 0.00 H new ATOM 0 HD21 LEU A 63 42.980 -18.474 15.199 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.772 -18.669 13.442 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.403 -18.706 14.155 1.00 0.00 H new ATOM 989 N CYS A 64 46.292 -18.041 10.865 1.00 0.00 N ATOM 990 CA CYS A 64 46.899 -19.221 10.254 1.00 0.00 C ATOM 991 C CYS A 64 48.433 -19.178 10.344 1.00 0.00 C ATOM 992 O CYS A 64 49.023 -20.192 10.693 1.00 0.00 O ATOM 993 CB CYS A 64 46.444 -19.355 8.794 1.00 0.00 C ATOM 994 SG CYS A 64 44.652 -19.637 8.711 1.00 0.00 S ATOM 0 H CYS A 64 45.869 -17.416 10.178 1.00 0.00 H new ATOM 0 HA CYS A 64 46.564 -20.097 10.809 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.702 -18.451 8.242 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.971 -20.181 8.317 1.00 0.00 H new ATOM 0 HG CYS A 64 44.026 -18.525 8.960 1.00 0.00 H new ATOM 1000 N CYS A 65 49.097 -18.041 10.090 1.00 0.00 N ATOM 1001 CA CYS A 65 50.556 -17.898 10.222 1.00 0.00 C ATOM 1002 C CYS A 65 51.025 -18.234 11.646 1.00 0.00 C ATOM 1003 O CYS A 65 51.993 -18.974 11.816 1.00 0.00 O ATOM 1004 CB CYS A 65 50.999 -16.481 9.831 1.00 0.00 C ATOM 1005 SG CYS A 65 50.933 -16.238 8.035 1.00 0.00 S ATOM 0 H CYS A 65 48.633 -17.186 9.784 1.00 0.00 H new ATOM 0 HA CYS A 65 51.022 -18.609 9.540 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.358 -15.749 10.322 1.00 0.00 H new ATOM 0 HB3 CYS A 65 52.014 -16.305 10.186 1.00 0.00 H new ATOM 0 HG CYS A 65 49.701 -16.041 7.669 1.00 0.00 H new ATOM 1011 N TYR A 66 50.313 -17.745 12.667 1.00 0.00 N ATOM 1012 CA TYR A 66 50.603 -18.012 14.085 1.00 0.00 C ATOM 1013 C TYR A 66 50.674 -19.519 14.411 1.00 0.00 C ATOM 1014 O TYR A 66 51.442 -19.940 15.279 1.00 0.00 O ATOM 1015 CB TYR A 66 49.528 -17.318 14.931 1.00 0.00 C ATOM 1016 CG TYR A 66 49.964 -16.901 16.322 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.667 -15.694 16.483 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.578 -17.645 17.455 1.00 0.00 C ATOM 1019 CE1 TYR A 66 50.889 -15.175 17.772 1.00 0.00 C ATOM 1020 CE2 TYR A 66 49.823 -17.143 18.747 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.462 -15.897 18.907 1.00 0.00 C ATOM 1022 OH TYR A 66 50.665 -15.395 20.153 1.00 0.00 O ATOM 0 H TYR A 66 49.503 -17.141 12.531 1.00 0.00 H new ATOM 0 HA TYR A 66 51.591 -17.615 14.318 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.184 -16.433 14.396 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.673 -17.988 15.022 1.00 0.00 H new ATOM 0 HD1 TYR A 66 51.037 -15.165 15.617 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.093 -18.602 17.332 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.386 -14.224 17.893 1.00 0.00 H new ATOM 0 HE2 TYR A 66 49.522 -17.712 19.614 1.00 0.00 H new ATOM 0 HH TYR A 66 50.655 -14.416 20.117 1.00 0.00 H new ATOM 1032 N HIS A 67 49.908 -20.335 13.679 1.00 0.00 N ATOM 1033 CA HIS A 67 49.886 -21.795 13.767 1.00 0.00 C ATOM 1034 C HIS A 67 50.928 -22.430 12.814 1.00 0.00 C ATOM 1035 O HIS A 67 51.773 -23.220 13.242 1.00 0.00 O ATOM 1036 CB HIS A 67 48.448 -22.250 13.443 1.00 0.00 C ATOM 1037 CG HIS A 67 48.320 -23.733 13.227 1.00 0.00 C ATOM 1038 ND1 HIS A 67 48.248 -24.705 14.201 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.405 -24.371 12.016 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.335 -25.903 13.595 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.449 -25.747 12.265 1.00 0.00 N ATOM 0 H HIS A 67 49.258 -19.978 12.979 1.00 0.00 H new ATOM 0 HA HIS A 67 50.162 -22.126 14.768 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.789 -21.952 14.258 1.00 0.00 H new ATOM 0 HB3 HIS A 67 48.104 -21.730 12.549 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.433 -23.897 11.046 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.316 -26.855 14.105 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.548 -26.488 11.571 1.00 0.00 H new ATOM 1049 N ALA A 68 50.897 -22.064 11.528 1.00 0.00 N ATOM 1050 CA ALA A 68 51.755 -22.570 10.456 1.00 0.00 C ATOM 1051 C ALA A 68 53.267 -22.421 10.694 1.00 0.00 C ATOM 1052 O ALA A 68 54.032 -23.260 10.212 1.00 0.00 O ATOM 1053 CB ALA A 68 51.336 -21.896 9.148 1.00 0.00 C ATOM 0 H ALA A 68 50.234 -21.367 11.190 1.00 0.00 H new ATOM 0 HA ALA A 68 51.605 -23.649 10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.964 -22.259 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.293 -22.132 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.452 -20.816 9.242 1.00 0.00 H new ATOM 1059 N LYS A 69 53.720 -21.399 11.445 1.00 0.00 N ATOM 1060 CA LYS A 69 55.147 -21.241 11.797 1.00 0.00 C ATOM 1061 C LYS A 69 55.676 -22.479 12.545 1.00 0.00 C ATOM 1062 O LYS A 69 56.808 -22.905 12.312 1.00 0.00 O ATOM 1063 CB LYS A 69 55.371 -19.994 12.676 1.00 0.00 C ATOM 1064 CG LYS A 69 55.309 -18.624 11.974 1.00 0.00 C ATOM 1065 CD LYS A 69 55.430 -17.465 12.990 1.00 0.00 C ATOM 1066 CE LYS A 69 56.875 -17.277 13.487 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.619 -16.226 12.741 1.00 0.00 N ATOM 0 H LYS A 69 53.117 -20.667 11.821 1.00 0.00 H new ATOM 0 HA LYS A 69 55.693 -21.124 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 69 54.625 -20.001 13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 69 56.347 -20.086 13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.112 -18.552 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.370 -18.535 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 69 55.083 -16.541 12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 69 54.777 -17.660 13.841 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.858 -17.019 14.546 1.00 0.00 H new ATOM 0 HE3 LYS A 69 57.409 -18.223 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 58.642 -16.387 12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 57.359 -16.265 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.377 -15.290 13.125 1.00 0.00 H new ATOM 1081 N HIS A 70 54.856 -23.047 13.435 1.00 0.00 N ATOM 1082 CA HIS A 70 55.162 -24.245 14.224 1.00 0.00 C ATOM 1083 C HIS A 70 54.743 -25.560 13.535 1.00 0.00 C ATOM 1084 O HIS A 70 55.421 -26.583 13.700 1.00 0.00 O ATOM 1085 CB HIS A 70 54.474 -24.104 15.591 1.00 0.00 C ATOM 1086 CG HIS A 70 54.802 -25.221 16.551 1.00 0.00 C ATOM 1087 ND1 HIS A 70 53.999 -26.299 16.857 1.00 0.00 N ATOM 1088 CD2 HIS A 70 55.959 -25.364 17.271 1.00 0.00 C ATOM 1089 CE1 HIS A 70 54.655 -27.074 17.739 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.859 -26.542 18.025 1.00 0.00 N ATOM 0 H HIS A 70 53.928 -22.672 13.633 1.00 0.00 H new ATOM 0 HA HIS A 70 56.244 -24.310 14.335 1.00 0.00 H new ATOM 0 HB2 HIS A 70 54.766 -23.154 16.039 1.00 0.00 H new ATOM 0 HB3 HIS A 70 53.395 -24.069 15.443 1.00 0.00 H new ATOM 0 HD2 HIS A 70 56.801 -24.688 17.260 1.00 0.00 H new ATOM 0 HE1 HIS A 70 54.271 -27.992 18.158 1.00 0.00 H new ATOM 0 HE2 HIS A 70 56.559 -26.921 18.663 1.00 0.00 H new ATOM 1098 N CYS A 71 53.633 -25.549 12.783 1.00 0.00 N ATOM 1099 CA CYS A 71 53.089 -26.738 12.114 1.00 0.00 C ATOM 1100 C CYS A 71 54.068 -27.353 11.097 1.00 0.00 C ATOM 1101 O CYS A 71 54.819 -26.650 10.412 1.00 0.00 O ATOM 1102 CB CYS A 71 51.749 -26.400 11.447 1.00 0.00 C ATOM 1103 SG CYS A 71 50.807 -27.919 11.064 1.00 0.00 S ATOM 0 H CYS A 71 53.083 -24.706 12.621 1.00 0.00 H new ATOM 0 HA CYS A 71 52.929 -27.495 12.882 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.162 -25.760 12.106 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.926 -25.837 10.531 1.00 0.00 H new ATOM 0 HG CYS A 71 49.901 -28.110 11.977 1.00 0.00 H new ATOM 1108 N GLN A 72 54.035 -28.684 10.993 1.00 0.00 N ATOM 1109 CA GLN A 72 54.892 -29.494 10.118 1.00 0.00 C ATOM 1110 C GLN A 72 54.120 -30.600 9.359 1.00 0.00 C ATOM 1111 O GLN A 72 54.729 -31.387 8.632 1.00 0.00 O ATOM 1112 CB GLN A 72 56.024 -30.091 10.982 1.00 0.00 C ATOM 1113 CG GLN A 72 57.051 -29.050 11.468 1.00 0.00 C ATOM 1114 CD GLN A 72 57.706 -29.458 12.786 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.522 -30.370 12.858 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.373 -28.802 13.880 1.00 0.00 N ATOM 0 H GLN A 72 53.385 -29.251 11.537 1.00 0.00 H new ATOM 0 HA GLN A 72 55.301 -28.850 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.585 -30.586 11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.542 -30.857 10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.820 -28.919 10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.558 -28.086 11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.695 -28.041 13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.793 -29.055 14.774 1.00 0.00 H new ATOM 1125 N GLU A 73 52.790 -30.678 9.500 1.00 0.00 N ATOM 1126 CA GLU A 73 51.947 -31.690 8.843 1.00 0.00 C ATOM 1127 C GLU A 73 51.473 -31.252 7.441 1.00 0.00 C ATOM 1128 O GLU A 73 51.257 -30.070 7.164 1.00 0.00 O ATOM 1129 CB GLU A 73 50.768 -32.018 9.777 1.00 0.00 C ATOM 1130 CG GLU A 73 49.861 -33.188 9.370 1.00 0.00 C ATOM 1131 CD GLU A 73 50.643 -34.486 9.097 1.00 0.00 C ATOM 1132 OE1 GLU A 73 50.865 -35.286 10.037 1.00 0.00 O ATOM 1133 OE2 GLU A 73 51.041 -34.693 7.927 1.00 0.00 O ATOM 0 H GLU A 73 52.260 -30.030 10.083 1.00 0.00 H new ATOM 0 HA GLU A 73 52.540 -32.589 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.170 -32.230 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.149 -31.125 9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.132 -33.368 10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.301 -32.913 8.477 1.00 0.00 H new ATOM 1140 N ASN A 74 51.281 -32.233 6.558 1.00 0.00 N ATOM 1141 CA ASN A 74 50.866 -32.064 5.154 1.00 0.00 C ATOM 1142 C ASN A 74 49.380 -32.408 4.900 1.00 0.00 C ATOM 1143 O ASN A 74 48.886 -32.286 3.778 1.00 0.00 O ATOM 1144 CB ASN A 74 51.803 -32.913 4.274 1.00 0.00 C ATOM 1145 CG ASN A 74 53.260 -32.484 4.374 1.00 0.00 C ATOM 1146 OD1 ASN A 74 53.607 -31.321 4.216 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.163 -33.401 4.638 1.00 0.00 N ATOM 0 H ASN A 74 51.415 -33.213 6.808 1.00 0.00 H new ATOM 0 HA ASN A 74 50.951 -31.008 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 74 51.717 -33.960 4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 74 51.480 -32.844 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.147 -33.142 4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 74 53.880 -34.372 4.771 1.00 0.00 H new ATOM 1154 N LYS A 75 48.677 -32.849 5.949 1.00 0.00 N ATOM 1155 CA LYS A 75 47.261 -33.265 5.986 1.00 0.00 C ATOM 1156 C LYS A 75 46.394 -32.351 6.878 1.00 0.00 C ATOM 1157 O LYS A 75 45.228 -32.660 7.134 1.00 0.00 O ATOM 1158 CB LYS A 75 47.202 -34.721 6.487 1.00 0.00 C ATOM 1159 CG LYS A 75 48.022 -35.694 5.623 1.00 0.00 C ATOM 1160 CD LYS A 75 48.226 -37.028 6.349 1.00 0.00 C ATOM 1161 CE LYS A 75 49.318 -37.852 5.658 1.00 0.00 C ATOM 1162 NZ LYS A 75 48.876 -38.408 4.351 1.00 0.00 N ATOM 0 H LYS A 75 49.112 -32.933 6.868 1.00 0.00 H new ATOM 0 HA LYS A 75 46.849 -33.184 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.568 -34.760 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.163 -35.050 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 75 47.511 -35.865 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.990 -35.251 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 75 48.502 -36.845 7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 75 47.292 -37.589 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 75 50.197 -37.226 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 75 49.620 -38.669 6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 49.651 -38.956 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 48.054 -39.028 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 48.613 -37.629 3.714 1.00 0.00 H new ATOM 1176 N CYS A 76 46.970 -31.243 7.362 1.00 0.00 N ATOM 1177 CA CYS A 76 46.349 -30.244 8.236 1.00 0.00 C ATOM 1178 C CYS A 76 45.002 -29.738 7.641 1.00 0.00 C ATOM 1179 O CYS A 76 44.945 -29.467 6.435 1.00 0.00 O ATOM 1180 CB CYS A 76 47.401 -29.133 8.435 1.00 0.00 C ATOM 1181 SG CYS A 76 47.242 -28.302 10.046 1.00 0.00 S ATOM 0 H CYS A 76 47.937 -31.008 7.140 1.00 0.00 H new ATOM 0 HA CYS A 76 46.074 -30.659 9.206 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.399 -29.563 8.349 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.301 -28.396 7.638 1.00 0.00 H new ATOM 0 HG CYS A 76 48.418 -28.170 10.584 1.00 0.00 H new ATOM 1186 N PRO A 77 43.901 -29.636 8.419 1.00 0.00 N ATOM 1187 CA PRO A 77 42.584 -29.263 7.891 1.00 0.00 C ATOM 1188 C PRO A 77 42.442 -27.793 7.458 1.00 0.00 C ATOM 1189 O PRO A 77 41.603 -27.494 6.607 1.00 0.00 O ATOM 1190 CB PRO A 77 41.593 -29.619 9.004 1.00 0.00 C ATOM 1191 CG PRO A 77 42.422 -29.472 10.278 1.00 0.00 C ATOM 1192 CD PRO A 77 43.807 -29.943 9.839 1.00 0.00 C ATOM 0 HA PRO A 77 42.401 -29.804 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.733 -28.950 9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.208 -30.632 8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.439 -28.441 10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.026 -30.082 11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.589 -29.433 10.401 1.00 0.00 H new ATOM 0 HD3 PRO A 77 43.931 -31.011 10.017 1.00 0.00 H new ATOM 1200 N VAL A 78 43.236 -26.871 8.014 1.00 0.00 N ATOM 1201 CA VAL A 78 43.200 -25.438 7.670 1.00 0.00 C ATOM 1202 C VAL A 78 43.793 -25.234 6.261 1.00 0.00 C ATOM 1203 O VAL A 78 44.947 -25.615 6.045 1.00 0.00 O ATOM 1204 CB VAL A 78 43.963 -24.613 8.725 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.947 -23.116 8.395 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.334 -24.776 10.118 1.00 0.00 C ATOM 0 H VAL A 78 43.932 -27.098 8.725 1.00 0.00 H new ATOM 0 HA VAL A 78 42.167 -25.090 7.665 1.00 0.00 H new ATOM 0 HB VAL A 78 44.986 -24.988 8.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.495 -22.568 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.418 -22.952 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.917 -22.762 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.893 -24.183 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.299 -24.435 10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.363 -25.826 10.410 1.00 0.00 H new ATOM 1216 N PRO A 79 43.061 -24.649 5.285 1.00 0.00 N ATOM 1217 CA PRO A 79 43.548 -24.516 3.903 1.00 0.00 C ATOM 1218 C PRO A 79 44.795 -23.633 3.745 1.00 0.00 C ATOM 1219 O PRO A 79 45.658 -23.907 2.904 1.00 0.00 O ATOM 1220 CB PRO A 79 42.358 -23.979 3.096 1.00 0.00 C ATOM 1221 CG PRO A 79 41.471 -23.297 4.137 1.00 0.00 C ATOM 1222 CD PRO A 79 41.702 -24.128 5.397 1.00 0.00 C ATOM 0 HA PRO A 79 43.890 -25.486 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.683 -23.276 2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.827 -24.784 2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.754 -22.255 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.423 -23.303 3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.589 -23.519 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.977 -24.939 5.469 1.00 0.00 H new ATOM 1230 N PHE A 80 44.917 -22.575 4.549 1.00 0.00 N ATOM 1231 CA PHE A 80 46.063 -21.665 4.488 1.00 0.00 C ATOM 1232 C PHE A 80 47.318 -22.182 5.200 1.00 0.00 C ATOM 1233 O PHE A 80 48.411 -21.814 4.776 1.00 0.00 O ATOM 1234 CB PHE A 80 45.664 -20.292 5.040 1.00 0.00 C ATOM 1235 CG PHE A 80 45.001 -19.420 3.999 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.797 -18.694 3.089 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.599 -19.362 3.913 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.184 -17.902 2.102 1.00 0.00 C ATOM 1239 CE2 PHE A 80 42.988 -18.572 2.922 1.00 0.00 C ATOM 1240 CZ PHE A 80 43.781 -17.839 2.020 1.00 0.00 C ATOM 0 H PHE A 80 44.227 -22.325 5.258 1.00 0.00 H new ATOM 0 HA PHE A 80 46.335 -21.589 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.986 -20.426 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.551 -19.786 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.874 -18.746 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.991 -19.923 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 80 45.791 -17.342 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 80 41.911 -18.528 2.854 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.312 -17.227 1.264 1.00 0.00 H new ATOM 1250 N CYS A 81 47.204 -23.040 6.224 1.00 0.00 N ATOM 1251 CA CYS A 81 48.357 -23.550 6.970 1.00 0.00 C ATOM 1252 C CYS A 81 49.381 -24.206 6.031 1.00 0.00 C ATOM 1253 O CYS A 81 50.553 -23.832 6.000 1.00 0.00 O ATOM 1254 CB CYS A 81 47.837 -24.518 8.044 1.00 0.00 C ATOM 1255 SG CYS A 81 49.207 -25.394 8.855 1.00 0.00 S ATOM 0 H CYS A 81 46.309 -23.398 6.556 1.00 0.00 H new ATOM 0 HA CYS A 81 48.887 -22.731 7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.263 -23.966 8.788 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.158 -25.240 7.589 1.00 0.00 H new ATOM 0 HG CYS A 81 48.762 -26.488 9.398 1.00 0.00 H new ATOM 1260 N LEU A 82 48.889 -25.136 5.210 1.00 0.00 N ATOM 1261 CA LEU A 82 49.619 -25.897 4.195 1.00 0.00 C ATOM 1262 C LEU A 82 50.424 -24.984 3.251 1.00 0.00 C ATOM 1263 O LEU A 82 51.605 -25.218 3.003 1.00 0.00 O ATOM 1264 CB LEU A 82 48.577 -26.705 3.401 1.00 0.00 C ATOM 1265 CG LEU A 82 47.697 -27.643 4.260 1.00 0.00 C ATOM 1266 CD1 LEU A 82 46.281 -27.639 3.691 1.00 0.00 C ATOM 1267 CD2 LEU A 82 48.268 -29.059 4.306 1.00 0.00 C ATOM 0 H LEU A 82 47.903 -25.395 5.239 1.00 0.00 H new ATOM 0 HA LEU A 82 50.345 -26.550 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 82 47.929 -26.011 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.095 -27.301 2.650 1.00 0.00 H new ATOM 0 HG LEU A 82 47.680 -27.279 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 45.648 -28.297 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 82 45.880 -26.626 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 82 46.302 -27.992 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.625 -29.691 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 82 48.319 -29.464 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 82 49.269 -29.034 4.738 1.00 0.00 H new ATOM 1279 N ASN A 83 49.783 -23.924 2.748 1.00 0.00 N ATOM 1280 CA ASN A 83 50.389 -22.940 1.850 1.00 0.00 C ATOM 1281 C ASN A 83 51.438 -22.074 2.568 1.00 0.00 C ATOM 1282 O ASN A 83 52.531 -21.853 2.041 1.00 0.00 O ATOM 1283 CB ASN A 83 49.266 -22.078 1.240 1.00 0.00 C ATOM 1284 CG ASN A 83 48.484 -22.833 0.177 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.913 -22.948 -0.961 1.00 0.00 O ATOM 1286 ND2 ASN A 83 47.331 -23.386 0.491 1.00 0.00 N ATOM 0 H ASN A 83 48.806 -23.723 2.960 1.00 0.00 H new ATOM 0 HA ASN A 83 50.923 -23.462 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 83 48.587 -21.755 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 83 49.697 -21.178 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.805 -23.904 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.963 -23.296 1.438 1.00 0.00 H new ATOM 1293 N ILE A 84 51.126 -21.594 3.777 1.00 0.00 N ATOM 1294 CA ILE A 84 52.023 -20.760 4.579 1.00 0.00 C ATOM 1295 C ILE A 84 53.266 -21.552 5.015 1.00 0.00 C ATOM 1296 O ILE A 84 54.377 -21.091 4.752 1.00 0.00 O ATOM 1297 CB ILE A 84 51.253 -20.136 5.768 1.00 0.00 C ATOM 1298 CG1 ILE A 84 50.111 -19.197 5.311 1.00 0.00 C ATOM 1299 CG2 ILE A 84 52.188 -19.350 6.703 1.00 0.00 C ATOM 1300 CD1 ILE A 84 49.050 -18.982 6.393 1.00 0.00 C ATOM 0 H ILE A 84 50.231 -21.777 4.230 1.00 0.00 H new ATOM 0 HA ILE A 84 52.388 -19.934 3.969 1.00 0.00 H new ATOM 0 HB ILE A 84 50.820 -20.979 6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 84 50.532 -18.233 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.638 -19.614 4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.610 -18.928 7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.950 -20.019 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.668 -18.545 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 84 48.275 -18.315 6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.605 -19.940 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.513 -18.537 7.274 1.00 0.00 H new ATOM 1312 N LYS A 85 53.133 -22.737 5.634 1.00 0.00 N ATOM 1313 CA LYS A 85 54.293 -23.534 6.088 1.00 0.00 C ATOM 1314 C LYS A 85 55.298 -23.822 4.971 1.00 0.00 C ATOM 1315 O LYS A 85 56.504 -23.754 5.202 1.00 0.00 O ATOM 1316 CB LYS A 85 53.876 -24.807 6.854 1.00 0.00 C ATOM 1317 CG LYS A 85 53.216 -25.930 6.026 1.00 0.00 C ATOM 1318 CD LYS A 85 53.251 -27.288 6.739 1.00 0.00 C ATOM 1319 CE LYS A 85 52.637 -27.284 8.143 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.170 -27.422 8.154 1.00 0.00 N ATOM 0 H LYS A 85 52.231 -23.169 5.834 1.00 0.00 H new ATOM 0 HA LYS A 85 54.820 -22.905 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 85 54.762 -25.218 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 85 53.185 -24.517 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 85 52.181 -25.661 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 85 53.725 -26.015 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.723 -28.019 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 85 54.287 -27.620 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.073 -28.098 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.908 -26.355 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 50.859 -27.747 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.733 -26.502 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 50.881 -28.115 7.434 1.00 0.00 H new ATOM 1334 N HIS A 86 54.819 -24.077 3.752 1.00 0.00 N ATOM 1335 CA HIS A 86 55.683 -24.281 2.590 1.00 0.00 C ATOM 1336 C HIS A 86 56.449 -23.004 2.225 1.00 0.00 C ATOM 1337 O HIS A 86 57.662 -23.055 2.013 1.00 0.00 O ATOM 1338 CB HIS A 86 54.845 -24.754 1.393 1.00 0.00 C ATOM 1339 CG HIS A 86 54.923 -26.245 1.181 1.00 0.00 C ATOM 1340 ND1 HIS A 86 55.962 -26.908 0.567 1.00 0.00 N ATOM 1341 CD2 HIS A 86 54.011 -27.191 1.564 1.00 0.00 C ATOM 1342 CE1 HIS A 86 55.685 -28.222 0.572 1.00 0.00 C ATOM 1343 NE2 HIS A 86 54.500 -28.446 1.169 1.00 0.00 N ATOM 0 H HIS A 86 53.823 -24.148 3.544 1.00 0.00 H new ATOM 0 HA HIS A 86 56.416 -25.046 2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.805 -24.467 1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 86 55.186 -24.245 0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 86 53.080 -27.005 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 86 56.322 -28.989 0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 86 54.047 -29.349 1.307 1.00 0.00 H new ATOM 1351 N LYS A 87 55.773 -21.847 2.177 1.00 0.00 N ATOM 1352 CA LYS A 87 56.417 -20.582 1.799 1.00 0.00 C ATOM 1353 C LYS A 87 57.429 -20.113 2.840 1.00 0.00 C ATOM 1354 O LYS A 87 58.549 -19.763 2.484 1.00 0.00 O ATOM 1355 CB LYS A 87 55.344 -19.518 1.542 1.00 0.00 C ATOM 1356 CG LYS A 87 55.903 -18.373 0.678 1.00 0.00 C ATOM 1357 CD LYS A 87 54.909 -17.221 0.459 1.00 0.00 C ATOM 1358 CE LYS A 87 53.502 -17.652 0.036 1.00 0.00 C ATOM 1359 NZ LYS A 87 53.496 -18.355 -1.267 1.00 0.00 N ATOM 0 H LYS A 87 54.780 -21.762 2.395 1.00 0.00 H new ATOM 0 HA LYS A 87 56.982 -20.749 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.488 -19.972 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 87 54.985 -19.121 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 87 56.803 -17.979 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 87 56.201 -18.773 -0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 87 54.834 -16.645 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 87 55.312 -16.553 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 87 53.080 -18.305 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 87 52.859 -16.774 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 52.522 -18.627 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 53.874 -17.725 -2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 54.088 -19.208 -1.204 1.00 0.00 H new ATOM 1373 N LEU A 88 57.061 -20.150 4.121 1.00 0.00 N ATOM 1374 CA LEU A 88 57.922 -19.717 5.232 1.00 0.00 C ATOM 1375 C LEU A 88 59.252 -20.496 5.326 1.00 0.00 C ATOM 1376 O LEU A 88 60.249 -19.941 5.792 1.00 0.00 O ATOM 1377 CB LEU A 88 57.120 -19.752 6.546 1.00 0.00 C ATOM 1378 CG LEU A 88 56.342 -18.451 6.848 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.374 -18.006 5.738 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.584 -18.640 8.169 1.00 0.00 C ATOM 0 H LEU A 88 56.147 -20.485 4.424 1.00 0.00 H new ATOM 0 HA LEU A 88 58.228 -18.690 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.415 -20.583 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.804 -19.953 7.371 1.00 0.00 H new ATOM 0 HG LEU A 88 57.077 -17.649 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.874 -17.085 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.931 -17.832 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 88 54.630 -18.785 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.027 -17.732 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.892 -19.477 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 88 56.294 -18.845 8.970 1.00 0.00 H new ATOM 1704 N ASN B 722 32.389 -7.515 10.276 1.00 0.00 N ATOM 1705 CA ASN B 722 32.176 -8.049 11.627 1.00 0.00 C ATOM 1706 C ASN B 722 32.348 -9.575 11.721 1.00 0.00 C ATOM 1707 O ASN B 722 32.292 -10.125 12.824 1.00 0.00 O ATOM 1708 CB ASN B 722 30.818 -7.571 12.164 1.00 0.00 C ATOM 1709 CG ASN B 722 30.768 -6.122 12.651 1.00 0.00 C ATOM 1710 OD1 ASN B 722 29.756 -5.669 13.167 1.00 0.00 O ATOM 1711 ND2 ASN B 722 31.828 -5.347 12.545 1.00 0.00 N ATOM 0 HA ASN B 722 32.963 -7.651 12.267 1.00 0.00 H new ATOM 0 HB2 ASN B 722 30.073 -7.696 11.378 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.525 -8.222 12.988 1.00 0.00 H new ATOM 0 HD21 ASN B 722 31.795 -4.388 12.890 1.00 0.00 H new ATOM 0 HD22 ASN B 722 32.682 -5.706 12.118 1.00 0.00 H new ATOM 1718 N LEU B 723 32.642 -10.264 10.608 1.00 0.00 N ATOM 1719 CA LEU B 723 32.995 -11.687 10.628 1.00 0.00 C ATOM 1720 C LEU B 723 34.278 -11.931 11.455 1.00 0.00 C ATOM 1721 O LEU B 723 34.471 -13.024 11.972 1.00 0.00 O ATOM 1722 CB LEU B 723 33.181 -12.188 9.179 1.00 0.00 C ATOM 1723 CG LEU B 723 31.946 -12.114 8.261 1.00 0.00 C ATOM 1724 CD1 LEU B 723 32.261 -12.802 6.933 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.745 -12.833 8.875 1.00 0.00 C ATOM 0 H LEU B 723 32.641 -9.851 9.675 1.00 0.00 H new ATOM 0 HA LEU B 723 32.187 -12.243 11.103 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.983 -11.611 8.719 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.516 -13.225 9.217 1.00 0.00 H new ATOM 0 HG LEU B 723 31.704 -11.060 8.121 1.00 0.00 H new ATOM 0 HD11 LEU B 723 31.389 -12.751 6.281 1.00 0.00 H new ATOM 0 HD12 LEU B 723 33.102 -12.300 6.454 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.517 -13.846 7.116 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.893 -12.760 8.199 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.992 -13.882 9.035 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.493 -12.370 9.829 1.00 0.00 H new ATOM 1737 N LEU B 724 35.122 -10.900 11.599 1.00 0.00 N ATOM 1738 CA LEU B 724 36.423 -10.865 12.292 1.00 0.00 C ATOM 1739 C LEU B 724 36.538 -11.794 13.524 1.00 0.00 C ATOM 1740 O LEU B 724 36.032 -11.441 14.596 1.00 0.00 O ATOM 1741 CB LEU B 724 36.778 -9.408 12.662 1.00 0.00 C ATOM 1742 CG LEU B 724 36.674 -8.379 11.519 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.237 -7.034 11.976 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.448 -8.827 10.277 1.00 0.00 C ATOM 0 H LEU B 724 34.895 -9.989 11.200 1.00 0.00 H new ATOM 0 HA LEU B 724 37.148 -11.265 11.583 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.123 -9.089 13.473 1.00 0.00 H new ATOM 0 HB3 LEU B 724 37.797 -9.390 13.050 1.00 0.00 H new ATOM 0 HG LEU B 724 35.618 -8.289 11.262 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.160 -6.312 11.163 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.670 -6.675 12.835 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.283 -7.154 12.257 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.349 -8.074 9.495 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.501 -8.951 10.530 1.00 0.00 H new ATOM 0 HD23 LEU B 724 37.046 -9.775 9.920 1.00 0.00 H new ATOM 1756 N PRO B 725 37.182 -12.976 13.416 1.00 0.00 N ATOM 1757 CA PRO B 725 37.318 -13.916 14.532 1.00 0.00 C ATOM 1758 C PRO B 725 38.335 -13.488 15.608 1.00 0.00 C ATOM 1759 O PRO B 725 38.421 -14.153 16.641 1.00 0.00 O ATOM 1760 CB PRO B 725 37.747 -15.234 13.880 1.00 0.00 C ATOM 1761 CG PRO B 725 38.577 -14.770 12.688 1.00 0.00 C ATOM 1762 CD PRO B 725 37.802 -13.541 12.218 1.00 0.00 C ATOM 0 HA PRO B 725 36.376 -13.981 15.076 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.331 -15.851 14.563 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.888 -15.828 13.568 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.599 -14.522 12.975 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.639 -15.534 11.913 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.466 -12.818 11.744 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.048 -13.813 11.479 1.00 0.00 H new ATOM 1770 N MET B 726 39.116 -12.422 15.387 1.00 0.00 N ATOM 1771 CA MET B 726 40.183 -11.972 16.293 1.00 0.00 C ATOM 1772 C MET B 726 40.160 -10.452 16.551 1.00 0.00 C ATOM 1773 O MET B 726 39.744 -9.655 15.704 1.00 0.00 O ATOM 1774 CB MET B 726 41.494 -12.479 15.675 1.00 0.00 C ATOM 1775 CG MET B 726 42.744 -12.248 16.513 1.00 0.00 C ATOM 1776 SD MET B 726 44.189 -13.230 16.010 1.00 0.00 S ATOM 1777 CE MET B 726 44.378 -12.733 14.277 1.00 0.00 C ATOM 0 H MET B 726 39.022 -11.836 14.557 1.00 0.00 H new ATOM 0 HA MET B 726 40.050 -12.383 17.294 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.397 -13.548 15.485 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.631 -11.995 14.708 1.00 0.00 H new ATOM 0 HG2 MET B 726 43.006 -11.191 16.466 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.513 -12.473 17.554 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.269 -13.202 13.859 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.502 -13.049 13.710 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.477 -11.649 14.218 1.00 0.00 H new ATOM 1787 N SER B 727 40.580 -10.047 17.752 1.00 0.00 N ATOM 1788 CA SER B 727 40.573 -8.651 18.234 1.00 0.00 C ATOM 1789 C SER B 727 41.819 -7.858 17.801 1.00 0.00 C ATOM 1790 O SER B 727 42.849 -8.476 17.519 1.00 0.00 O ATOM 1791 CB SER B 727 40.509 -8.624 19.773 1.00 0.00 C ATOM 1792 OG SER B 727 39.568 -9.547 20.290 1.00 0.00 O ATOM 0 H SER B 727 40.948 -10.699 18.444 1.00 0.00 H new ATOM 0 HA SER B 727 39.695 -8.182 17.789 1.00 0.00 H new ATOM 0 HB2 SER B 727 41.495 -8.849 20.179 1.00 0.00 H new ATOM 0 HB3 SER B 727 40.249 -7.619 20.106 1.00 0.00 H new ATOM 0 HG SER B 727 39.952 -10.449 20.275 1.00 0.00 H new ATOM 1798 N PRO B 728 41.793 -6.508 17.780 1.00 0.00 N ATOM 1799 CA PRO B 728 42.955 -5.680 17.423 1.00 0.00 C ATOM 1800 C PRO B 728 44.236 -5.997 18.217 1.00 0.00 C ATOM 1801 O PRO B 728 45.315 -6.078 17.633 1.00 0.00 O ATOM 1802 CB PRO B 728 42.514 -4.227 17.643 1.00 0.00 C ATOM 1803 CG PRO B 728 40.997 -4.286 17.496 1.00 0.00 C ATOM 1804 CD PRO B 728 40.649 -5.654 18.077 1.00 0.00 C ATOM 0 HA PRO B 728 43.236 -5.884 16.390 1.00 0.00 H new ATOM 0 HB2 PRO B 728 42.807 -3.864 18.628 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.962 -3.557 16.910 1.00 0.00 H new ATOM 0 HG2 PRO B 728 40.507 -3.479 18.041 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.689 -4.200 16.454 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.475 -5.591 19.151 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.737 -6.050 17.629 1.00 0.00 H new ATOM 1812 N GLU B 729 44.138 -6.207 19.536 1.00 0.00 N ATOM 1813 CA GLU B 729 45.298 -6.549 20.383 1.00 0.00 C ATOM 1814 C GLU B 729 45.832 -7.968 20.126 1.00 0.00 C ATOM 1815 O GLU B 729 47.033 -8.212 20.224 1.00 0.00 O ATOM 1816 CB GLU B 729 44.942 -6.408 21.869 1.00 0.00 C ATOM 1817 CG GLU B 729 44.859 -4.940 22.301 1.00 0.00 C ATOM 1818 CD GLU B 729 45.004 -4.813 23.827 1.00 0.00 C ATOM 1819 OE1 GLU B 729 46.151 -4.960 24.321 1.00 0.00 O ATOM 1820 OE2 GLU B 729 43.995 -4.568 24.531 1.00 0.00 O ATOM 0 H GLU B 729 43.258 -6.146 20.048 1.00 0.00 H new ATOM 0 HA GLU B 729 46.086 -5.845 20.116 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.987 -6.897 22.061 1.00 0.00 H new ATOM 0 HB3 GLU B 729 45.691 -6.922 22.472 1.00 0.00 H new ATOM 0 HG2 GLU B 729 45.643 -4.366 21.807 1.00 0.00 H new ATOM 0 HG3 GLU B 729 43.906 -4.516 21.985 1.00 0.00 H new ATOM 1827 N GLU B 730 44.958 -8.901 19.752 1.00 0.00 N ATOM 1828 CA GLU B 730 45.352 -10.264 19.387 1.00 0.00 C ATOM 1829 C GLU B 730 46.047 -10.235 18.018 1.00 0.00 C ATOM 1830 O GLU B 730 47.133 -10.785 17.857 1.00 0.00 O ATOM 1831 CB GLU B 730 44.117 -11.169 19.350 1.00 0.00 C ATOM 1832 CG GLU B 730 43.443 -11.339 20.713 1.00 0.00 C ATOM 1833 CD GLU B 730 42.179 -12.207 20.582 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.182 -11.729 19.986 1.00 0.00 O ATOM 1835 OE2 GLU B 730 42.177 -13.357 21.080 1.00 0.00 O ATOM 0 H GLU B 730 43.953 -8.734 19.693 1.00 0.00 H new ATOM 0 HA GLU B 730 46.045 -10.663 20.128 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.395 -10.756 18.646 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.406 -12.150 18.972 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.138 -11.801 21.414 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.181 -10.363 21.120 1.00 0.00 H new ATOM 1842 N PHE B 731 45.465 -9.524 17.045 1.00 0.00 N ATOM 1843 CA PHE B 731 46.059 -9.308 15.720 1.00 0.00 C ATOM 1844 C PHE B 731 47.438 -8.622 15.823 1.00 0.00 C ATOM 1845 O PHE B 731 48.365 -8.993 15.101 1.00 0.00 O ATOM 1846 CB PHE B 731 45.074 -8.513 14.851 1.00 0.00 C ATOM 1847 CG PHE B 731 45.565 -8.234 13.441 1.00 0.00 C ATOM 1848 CD1 PHE B 731 45.395 -9.193 12.422 1.00 0.00 C ATOM 1849 CD2 PHE B 731 46.199 -7.012 13.146 1.00 0.00 C ATOM 1850 CE1 PHE B 731 45.852 -8.929 11.117 1.00 0.00 C ATOM 1851 CE2 PHE B 731 46.658 -6.749 11.842 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.484 -7.708 10.827 1.00 0.00 C ATOM 0 H PHE B 731 44.555 -9.076 17.157 1.00 0.00 H new ATOM 0 HA PHE B 731 46.240 -10.271 15.243 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.134 -9.062 14.793 1.00 0.00 H new ATOM 0 HB3 PHE B 731 44.859 -7.564 15.342 1.00 0.00 H new ATOM 0 HD1 PHE B 731 44.912 -10.134 12.643 1.00 0.00 H new ATOM 0 HD2 PHE B 731 46.333 -6.274 13.923 1.00 0.00 H new ATOM 0 HE1 PHE B 731 45.717 -9.665 10.338 1.00 0.00 H new ATOM 0 HE2 PHE B 731 47.144 -5.810 11.620 1.00 0.00 H new ATOM 0 HZ PHE B 731 46.836 -7.506 9.826 1.00 0.00 H new ATOM 1862 N ASP B 732 47.614 -7.672 16.751 1.00 0.00 N ATOM 1863 CA ASP B 732 48.909 -7.038 17.040 1.00 0.00 C ATOM 1864 C ASP B 732 49.923 -8.080 17.547 1.00 0.00 C ATOM 1865 O ASP B 732 51.050 -8.137 17.059 1.00 0.00 O ATOM 1866 CB ASP B 732 48.726 -5.913 18.071 1.00 0.00 C ATOM 1867 CG ASP B 732 50.069 -5.359 18.571 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.707 -4.563 17.844 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.480 -5.707 19.705 1.00 0.00 O ATOM 0 H ASP B 732 46.852 -7.317 17.330 1.00 0.00 H new ATOM 0 HA ASP B 732 49.300 -6.607 16.118 1.00 0.00 H new ATOM 0 HB2 ASP B 732 48.145 -5.105 17.626 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.152 -6.289 18.918 1.00 0.00 H new ATOM 1874 N GLU B 733 49.526 -8.949 18.482 1.00 0.00 N ATOM 1875 CA GLU B 733 50.374 -10.032 18.993 1.00 0.00 C ATOM 1876 C GLU B 733 50.770 -11.026 17.893 1.00 0.00 C ATOM 1877 O GLU B 733 51.907 -11.499 17.872 1.00 0.00 O ATOM 1878 CB GLU B 733 49.635 -10.761 20.122 1.00 0.00 C ATOM 1879 CG GLU B 733 50.550 -11.539 21.072 1.00 0.00 C ATOM 1880 CD GLU B 733 51.527 -10.641 21.847 1.00 0.00 C ATOM 1881 OE1 GLU B 733 51.176 -9.487 22.193 1.00 0.00 O ATOM 1882 OE2 GLU B 733 52.654 -11.101 22.141 1.00 0.00 O ATOM 0 H GLU B 733 48.600 -8.921 18.909 1.00 0.00 H new ATOM 0 HA GLU B 733 51.296 -9.589 19.371 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.067 -10.032 20.699 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.915 -11.451 19.683 1.00 0.00 H new ATOM 0 HG2 GLU B 733 49.937 -12.094 21.782 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.118 -12.272 20.499 1.00 0.00 H new ATOM 1889 N VAL B 734 49.872 -11.307 16.941 1.00 0.00 N ATOM 1890 CA VAL B 734 50.189 -12.152 15.793 1.00 0.00 C ATOM 1891 C VAL B 734 51.193 -11.423 14.899 1.00 0.00 C ATOM 1892 O VAL B 734 52.207 -12.004 14.520 1.00 0.00 O ATOM 1893 CB VAL B 734 48.917 -12.543 15.024 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.275 -13.322 13.766 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.959 -13.430 15.833 1.00 0.00 C ATOM 0 H VAL B 734 48.914 -10.956 16.948 1.00 0.00 H new ATOM 0 HA VAL B 734 50.640 -13.082 16.140 1.00 0.00 H new ATOM 0 HB VAL B 734 48.421 -11.599 14.797 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.363 -13.591 13.233 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.903 -12.706 13.123 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.816 -14.228 14.040 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.084 -13.667 15.228 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.467 -14.353 16.113 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.646 -12.901 16.733 1.00 0.00 H new ATOM 1905 N SER B 735 50.968 -10.138 14.611 1.00 0.00 N ATOM 1906 CA SER B 735 51.874 -9.303 13.809 1.00 0.00 C ATOM 1907 C SER B 735 53.286 -9.234 14.406 1.00 0.00 C ATOM 1908 O SER B 735 54.265 -9.279 13.659 1.00 0.00 O ATOM 1909 CB SER B 735 51.313 -7.884 13.641 1.00 0.00 C ATOM 1910 OG SER B 735 50.048 -7.907 12.999 1.00 0.00 O ATOM 0 H SER B 735 50.139 -9.638 14.932 1.00 0.00 H new ATOM 0 HA SER B 735 51.947 -9.779 12.831 1.00 0.00 H new ATOM 0 HB2 SER B 735 51.220 -7.409 14.617 1.00 0.00 H new ATOM 0 HB3 SER B 735 52.009 -7.281 13.058 1.00 0.00 H new ATOM 0 HG SER B 735 49.375 -8.263 13.616 1.00 0.00 H new ATOM 1916 N ARG B 736 53.414 -9.181 15.742 1.00 0.00 N ATOM 1917 CA ARG B 736 54.705 -9.170 16.462 1.00 0.00 C ATOM 1918 C ARG B 736 55.550 -10.423 16.186 1.00 0.00 C ATOM 1919 O ARG B 736 56.770 -10.316 16.055 1.00 0.00 O ATOM 1920 CB ARG B 736 54.460 -9.039 17.977 1.00 0.00 C ATOM 1921 CG ARG B 736 54.065 -7.622 18.421 1.00 0.00 C ATOM 1922 CD ARG B 736 53.593 -7.616 19.887 1.00 0.00 C ATOM 1923 NE ARG B 736 54.375 -6.665 20.703 1.00 0.00 N ATOM 1924 CZ ARG B 736 54.039 -5.441 21.075 1.00 0.00 C ATOM 1925 NH1 ARG B 736 52.899 -4.883 20.783 1.00 0.00 N ATOM 1926 NH2 ARG B 736 54.878 -4.725 21.768 1.00 0.00 N ATOM 0 H ARG B 736 52.609 -9.144 16.367 1.00 0.00 H new ATOM 0 HA ARG B 736 55.266 -8.311 16.093 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.673 -9.734 18.270 1.00 0.00 H new ATOM 0 HB3 ARG B 736 55.363 -9.338 18.509 1.00 0.00 H new ATOM 0 HG2 ARG B 736 54.916 -6.950 18.306 1.00 0.00 H new ATOM 0 HG3 ARG B 736 53.271 -7.243 17.778 1.00 0.00 H new ATOM 0 HD2 ARG B 736 52.537 -7.351 19.929 1.00 0.00 H new ATOM 0 HD3 ARG B 736 53.687 -8.618 20.305 1.00 0.00 H new ATOM 0 HE ARG B 736 55.288 -6.993 21.019 1.00 0.00 H new ATOM 0 HH11 ARG B 736 52.206 -5.395 20.237 1.00 0.00 H new ATOM 0 HH12 ARG B 736 52.700 -3.934 21.100 1.00 0.00 H new ATOM 0 HH21 ARG B 736 55.789 -5.109 22.021 1.00 0.00 H new ATOM 0 HH22 ARG B 736 54.624 -3.780 22.058 1.00 0.00 H new ATOM 1940 N ILE B 737 54.915 -11.596 16.103 1.00 0.00 N ATOM 1941 CA ILE B 737 55.591 -12.890 15.870 1.00 0.00 C ATOM 1942 C ILE B 737 55.746 -13.223 14.379 1.00 0.00 C ATOM 1943 O ILE B 737 56.794 -13.706 13.946 1.00 0.00 O ATOM 1944 CB ILE B 737 54.818 -14.022 16.587 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.766 -13.727 18.102 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.445 -15.402 16.302 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.216 -14.875 18.949 1.00 0.00 C ATOM 0 H ILE B 737 53.903 -11.682 16.196 1.00 0.00 H new ATOM 0 HA ILE B 737 56.597 -12.804 16.281 1.00 0.00 H new ATOM 0 HB ILE B 737 53.800 -14.055 16.199 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.771 -13.485 18.448 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.151 -12.842 18.267 1.00 0.00 H new ATOM 0 HG21 ILE B 737 54.877 -16.174 16.821 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.425 -15.596 15.230 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.477 -15.412 16.654 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.214 -14.584 19.999 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.198 -15.104 18.634 1.00 0.00 H new ATOM 0 HD13 ILE B 737 54.843 -15.757 18.818 1.00 0.00 H new ATOM 1959 N VAL B 738 54.699 -13.004 13.583 1.00 0.00 N ATOM 1960 CA VAL B 738 54.688 -13.311 12.141 1.00 0.00 C ATOM 1961 C VAL B 738 55.549 -12.321 11.347 1.00 0.00 C ATOM 1962 O VAL B 738 56.148 -12.696 10.341 1.00 0.00 O ATOM 1963 CB VAL B 738 53.241 -13.366 11.610 1.00 0.00 C ATOM 1964 CG1 VAL B 738 53.188 -13.712 10.119 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.444 -14.459 12.341 1.00 0.00 C ATOM 0 H VAL B 738 53.823 -12.604 13.919 1.00 0.00 H new ATOM 0 HA VAL B 738 55.133 -14.296 12.001 1.00 0.00 H new ATOM 0 HB VAL B 738 52.818 -12.376 11.779 1.00 0.00 H new ATOM 0 HG11 VAL B 738 52.150 -13.740 9.789 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.730 -12.956 9.551 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.647 -14.687 9.955 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.425 -14.486 11.955 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.919 -15.426 12.178 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.422 -14.241 13.409 1.00 0.00 H new ATOM 1975 N GLY B 739 55.638 -11.066 11.798 1.00 0.00 N ATOM 1976 CA GLY B 739 56.435 -9.997 11.170 1.00 0.00 C ATOM 1977 C GLY B 739 56.176 -9.786 9.668 1.00 0.00 C ATOM 1978 O GLY B 739 57.065 -9.335 8.944 1.00 0.00 O ATOM 0 H GLY B 739 55.145 -10.752 12.634 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.235 -9.061 11.692 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.492 -10.222 11.312 1.00 0.00 H new ATOM 1982 N SER B 740 54.973 -10.139 9.197 1.00 0.00 N ATOM 1983 CA SER B 740 54.514 -10.071 7.797 1.00 0.00 C ATOM 1984 C SER B 740 55.414 -10.778 6.758 1.00 0.00 C ATOM 1985 O SER B 740 55.337 -10.435 5.577 1.00 0.00 O ATOM 1986 CB SER B 740 54.221 -8.619 7.389 1.00 0.00 C ATOM 1987 OG SER B 740 53.314 -8.009 8.297 1.00 0.00 O ATOM 0 H SER B 740 54.249 -10.502 9.817 1.00 0.00 H new ATOM 0 HA SER B 740 53.591 -10.651 7.782 1.00 0.00 H new ATOM 0 HB2 SER B 740 55.151 -8.051 7.361 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.803 -8.597 6.382 1.00 0.00 H new ATOM 0 HG SER B 740 53.144 -7.085 8.018 1.00 0.00 H new ATOM 1993 N VAL B 741 56.238 -11.753 7.181 1.00 0.00 N ATOM 1994 CA VAL B 741 57.195 -12.585 6.400 1.00 0.00 C ATOM 1995 C VAL B 741 57.173 -12.389 4.869 1.00 0.00 C ATOM 1996 O VAL B 741 58.086 -11.780 4.312 1.00 0.00 O ATOM 1997 CB VAL B 741 57.076 -14.089 6.768 1.00 0.00 C ATOM 1998 CG1 VAL B 741 58.029 -14.438 7.916 1.00 0.00 C ATOM 1999 CG2 VAL B 741 55.659 -14.545 7.167 1.00 0.00 C ATOM 0 H VAL B 741 56.260 -12.009 8.168 1.00 0.00 H new ATOM 0 HA VAL B 741 58.171 -12.209 6.707 1.00 0.00 H new ATOM 0 HB VAL B 741 57.338 -14.618 5.852 1.00 0.00 H new ATOM 0 HG11 VAL B 741 57.932 -15.496 8.161 1.00 0.00 H new ATOM 0 HG12 VAL B 741 59.055 -14.228 7.614 1.00 0.00 H new ATOM 0 HG13 VAL B 741 57.779 -13.839 8.792 1.00 0.00 H new ATOM 0 HG21 VAL B 741 55.673 -15.608 7.407 1.00 0.00 H new ATOM 0 HG22 VAL B 741 55.327 -13.981 8.039 1.00 0.00 H new ATOM 0 HG23 VAL B 741 54.973 -14.369 6.338 1.00 0.00 H new ATOM 2009 N GLU B 742 56.141 -12.891 4.190 1.00 0.00 N ATOM 2010 CA GLU B 742 55.878 -12.811 2.757 1.00 0.00 C ATOM 2011 C GLU B 742 54.330 -12.749 2.552 1.00 0.00 C ATOM 2012 O GLU B 742 53.748 -13.234 1.582 1.00 0.00 O ATOM 2013 CB GLU B 742 56.557 -14.068 2.198 1.00 0.00 C ATOM 2014 CG GLU B 742 56.673 -14.099 0.692 1.00 0.00 C ATOM 2015 CD GLU B 742 57.708 -13.091 0.150 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.358 -11.908 -0.073 1.00 0.00 O ATOM 2017 OE2 GLU B 742 58.881 -13.482 -0.068 1.00 0.00 O ATOM 0 H GLU B 742 55.406 -13.408 4.672 1.00 0.00 H new ATOM 0 HA GLU B 742 56.266 -11.931 2.244 1.00 0.00 H new ATOM 0 HB2 GLU B 742 57.555 -14.149 2.629 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.997 -14.944 2.525 1.00 0.00 H new ATOM 0 HG2 GLU B 742 56.951 -15.104 0.374 1.00 0.00 H new ATOM 0 HG3 GLU B 742 55.699 -13.884 0.253 1.00 0.00 H new ATOM 2024 N PHE B 743 53.654 -12.208 3.572 1.00 0.00 N ATOM 2025 CA PHE B 743 52.213 -12.157 3.825 1.00 0.00 C ATOM 2026 C PHE B 743 51.263 -11.790 2.674 1.00 0.00 C ATOM 2027 O PHE B 743 50.187 -12.378 2.562 1.00 0.00 O ATOM 2028 CB PHE B 743 52.040 -11.254 5.045 1.00 0.00 C ATOM 2029 CG PHE B 743 50.794 -11.512 5.851 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.650 -12.721 6.565 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.815 -10.507 5.942 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.528 -12.897 7.391 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.689 -10.704 6.752 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.544 -11.897 7.471 1.00 0.00 C ATOM 0 H PHE B 743 54.163 -11.743 4.324 1.00 0.00 H new ATOM 0 HA PHE B 743 51.886 -13.185 3.984 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.907 -11.374 5.694 1.00 0.00 H new ATOM 0 HB3 PHE B 743 52.032 -10.216 4.713 1.00 0.00 H new ATOM 0 HD1 PHE B 743 51.393 -13.500 6.477 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.931 -9.586 5.389 1.00 0.00 H new ATOM 0 HE1 PHE B 743 49.421 -13.804 7.967 1.00 0.00 H new ATOM 0 HE2 PHE B 743 47.933 -9.936 6.822 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.672 -12.049 8.090 1.00 0.00 H new ATOM 2044 N ASP B 744 51.627 -10.866 1.783 1.00 0.00 N ATOM 2045 CA ASP B 744 50.778 -10.493 0.640 1.00 0.00 C ATOM 2046 C ASP B 744 50.775 -11.530 -0.514 1.00 0.00 C ATOM 2047 O ASP B 744 50.092 -11.332 -1.522 1.00 0.00 O ATOM 2048 CB ASP B 744 51.093 -9.058 0.191 1.00 0.00 C ATOM 2049 CG ASP B 744 52.496 -8.903 -0.419 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.492 -8.956 0.342 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.605 -8.685 -1.649 1.00 0.00 O ATOM 0 H ASP B 744 52.510 -10.357 1.828 1.00 0.00 H new ATOM 0 HA ASP B 744 49.744 -10.509 0.984 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.350 -8.743 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP B 744 51.001 -8.389 1.047 1.00 0.00 H new ATOM 2056 N SER B 745 51.490 -12.654 -0.357 1.00 0.00 N ATOM 2057 CA SER B 745 51.583 -13.773 -1.318 1.00 0.00 C ATOM 2058 C SER B 745 51.071 -15.110 -0.755 1.00 0.00 C ATOM 2059 O SER B 745 51.156 -16.129 -1.443 1.00 0.00 O ATOM 2060 CB SER B 745 53.030 -13.931 -1.815 1.00 0.00 C ATOM 2061 OG SER B 745 53.503 -12.749 -2.446 1.00 0.00 O ATOM 0 H SER B 745 52.047 -12.819 0.482 1.00 0.00 H new ATOM 0 HA SER B 745 50.928 -13.515 -2.150 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.678 -14.179 -0.974 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.085 -14.764 -2.516 1.00 0.00 H new ATOM 0 HG SER B 745 54.425 -12.886 -2.747 1.00 0.00 H new ATOM 2067 N MET B 746 50.513 -15.149 0.468 1.00 0.00 N ATOM 2068 CA MET B 746 49.966 -16.378 1.092 1.00 0.00 C ATOM 2069 C MET B 746 48.838 -17.028 0.258 1.00 0.00 C ATOM 2070 O MET B 746 48.548 -18.213 0.417 1.00 0.00 O ATOM 2071 CB MET B 746 49.443 -16.091 2.512 1.00 0.00 C ATOM 2072 CG MET B 746 50.469 -15.579 3.541 1.00 0.00 C ATOM 2073 SD MET B 746 52.230 -15.649 3.105 1.00 0.00 S ATOM 2074 CE MET B 746 52.516 -17.401 3.360 1.00 0.00 C ATOM 0 H MET B 746 50.426 -14.323 1.061 1.00 0.00 H new ATOM 0 HA MET B 746 50.796 -17.083 1.137 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.642 -15.356 2.437 1.00 0.00 H new ATOM 0 HB3 MET B 746 48.999 -17.007 2.902 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.223 -14.542 3.768 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.331 -16.148 4.460 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.459 -17.687 2.894 1.00 0.00 H new ATOM 0 HE2 MET B 746 52.561 -17.611 4.429 1.00 0.00 H new ATOM 0 HE3 MET B 746 51.702 -17.971 2.912 1.00 0.00 H new