USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 23 HIS : no HD1:sc= 0.483 K(o=2,f=-2.7) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -111:sc= 1.54 (180deg=1) USER MOD Set 2.1: A 16 SER OG : rot 28:sc= 0.992 USER MOD Set 2.2: A 19 THR OG1 : rot -70:sc= 1.16 USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.0476 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 2 MET CE :methyl 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 10 SER OG : rot 180:sc= 0.037 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.814 K(o=0.81,f=-0.0048) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.468 USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.29 USER MOD Single : A 37 ASN : amide:sc= 0.697 K(o=0.7,f=-0.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.68 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.597 22.805 -60.593 1.00 0.00 N ATOM 2 CA SER A 1 -16.871 23.070 -59.882 1.00 0.00 C ATOM 3 C SER A 1 -18.060 22.464 -60.624 1.00 0.00 C ATOM 4 O SER A 1 -18.047 22.389 -61.855 1.00 0.00 O ATOM 5 CB SER A 1 -17.086 24.572 -59.677 1.00 0.00 C ATOM 6 OG SER A 1 -15.943 25.128 -59.045 1.00 0.00 O ATOM 0 H1 SER A 1 -14.973 23.633 -60.508 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.131 21.976 -60.173 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.792 22.620 -61.598 1.00 0.00 H new ATOM 0 HA SER A 1 -16.801 22.593 -58.904 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.259 25.060 -60.636 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.973 24.744 -59.067 1.00 0.00 H new ATOM 0 HG SER A 1 -16.077 26.090 -58.914 1.00 0.00 H new ATOM 14 N MET A 2 -19.094 22.029 -59.894 1.00 0.00 N ATOM 15 CA MET A 2 -20.322 21.429 -60.452 1.00 0.00 C ATOM 16 C MET A 2 -21.580 21.705 -59.603 1.00 0.00 C ATOM 17 O MET A 2 -22.626 22.055 -60.153 1.00 0.00 O ATOM 18 CB MET A 2 -20.103 19.913 -60.613 1.00 0.00 C ATOM 19 CG MET A 2 -21.264 19.223 -61.342 1.00 0.00 C ATOM 20 SD MET A 2 -21.027 17.449 -61.659 1.00 0.00 S ATOM 21 CE MET A 2 -21.154 16.788 -59.972 1.00 0.00 C ATOM 0 H MET A 2 -19.105 22.084 -58.876 1.00 0.00 H new ATOM 0 HA MET A 2 -20.508 21.897 -61.419 1.00 0.00 H new ATOM 0 HB2 MET A 2 -19.179 19.740 -61.164 1.00 0.00 H new ATOM 0 HB3 MET A 2 -19.977 19.461 -59.629 1.00 0.00 H new ATOM 0 HG2 MET A 2 -22.172 19.353 -60.753 1.00 0.00 H new ATOM 0 HG3 MET A 2 -21.427 19.728 -62.294 1.00 0.00 H new ATOM 0 HE1 MET A 2 -21.119 15.699 -60.004 1.00 0.00 H new ATOM 0 HE2 MET A 2 -20.324 17.160 -59.372 1.00 0.00 H new ATOM 0 HE3 MET A 2 -22.096 17.107 -59.526 1.00 0.00 H new ATOM 31 N ALA A 3 -21.484 21.559 -58.276 1.00 0.00 N ATOM 32 CA ALA A 3 -22.603 21.687 -57.327 1.00 0.00 C ATOM 33 C ALA A 3 -22.209 22.430 -56.028 1.00 0.00 C ATOM 34 O ALA A 3 -22.847 22.284 -54.982 1.00 0.00 O ATOM 35 CB ALA A 3 -23.165 20.281 -57.060 1.00 0.00 C ATOM 0 H ALA A 3 -20.600 21.342 -57.816 1.00 0.00 H new ATOM 0 HA ALA A 3 -23.380 22.311 -57.769 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -23.997 20.349 -56.359 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -23.514 19.845 -57.996 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -22.383 19.651 -56.636 1.00 0.00 H new ATOM 41 N ASP A 4 -21.126 23.207 -56.077 1.00 0.00 N ATOM 42 CA ASP A 4 -20.408 23.734 -54.910 1.00 0.00 C ATOM 43 C ASP A 4 -21.141 24.889 -54.198 1.00 0.00 C ATOM 44 O ASP A 4 -21.032 25.014 -52.975 1.00 0.00 O ATOM 45 CB ASP A 4 -19.010 24.177 -55.370 1.00 0.00 C ATOM 46 CG ASP A 4 -18.228 23.029 -56.035 1.00 0.00 C ATOM 47 OD1 ASP A 4 -18.540 22.697 -57.206 1.00 0.00 O ATOM 48 OD2 ASP A 4 -17.317 22.456 -55.391 1.00 0.00 O ATOM 0 H ASP A 4 -20.708 23.498 -56.961 1.00 0.00 H new ATOM 0 HA ASP A 4 -20.344 22.938 -54.168 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.105 25.005 -56.073 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.448 24.549 -54.513 1.00 0.00 H new ATOM 53 N ARG A 5 -21.927 25.674 -54.958 1.00 0.00 N ATOM 54 CA ARG A 5 -22.737 26.840 -54.525 1.00 0.00 C ATOM 55 C ARG A 5 -21.940 27.980 -53.861 1.00 0.00 C ATOM 56 O ARG A 5 -20.749 27.862 -53.575 1.00 0.00 O ATOM 57 CB ARG A 5 -23.936 26.347 -53.681 1.00 0.00 C ATOM 58 CG ARG A 5 -25.013 25.669 -54.551 1.00 0.00 C ATOM 59 CD ARG A 5 -25.838 24.651 -53.756 1.00 0.00 C ATOM 60 NE ARG A 5 -25.070 23.409 -53.553 1.00 0.00 N ATOM 61 CZ ARG A 5 -25.339 22.400 -52.752 1.00 0.00 C ATOM 62 NH1 ARG A 5 -26.372 22.387 -51.956 1.00 0.00 N ATOM 63 NH2 ARG A 5 -24.545 21.370 -52.755 1.00 0.00 N ATOM 0 H ARG A 5 -22.023 25.503 -55.959 1.00 0.00 H new ATOM 0 HA ARG A 5 -23.116 27.320 -55.427 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -23.584 25.644 -52.926 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.377 27.190 -53.150 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -25.676 26.429 -54.964 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -24.536 25.169 -55.394 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -26.117 25.075 -52.791 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -26.764 24.430 -54.287 1.00 0.00 H new ATOM 0 HE ARG A 5 -24.218 23.320 -54.106 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -27.011 23.182 -51.937 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -26.541 21.582 -51.352 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -23.732 21.355 -53.371 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -24.735 20.577 -52.142 1.00 0.00 H new ATOM 77 N VAL A 6 -22.605 29.132 -53.693 1.00 0.00 N ATOM 78 CA VAL A 6 -22.116 30.385 -53.083 1.00 0.00 C ATOM 79 C VAL A 6 -20.764 30.916 -53.605 1.00 0.00 C ATOM 80 O VAL A 6 -20.054 31.641 -52.906 1.00 0.00 O ATOM 81 CB VAL A 6 -22.253 30.374 -51.547 1.00 0.00 C ATOM 82 CG1 VAL A 6 -23.692 30.065 -51.108 1.00 0.00 C ATOM 83 CG2 VAL A 6 -21.310 29.410 -50.815 1.00 0.00 C ATOM 0 H VAL A 6 -23.573 29.223 -54.002 1.00 0.00 H new ATOM 0 HA VAL A 6 -22.799 31.151 -53.450 1.00 0.00 H new ATOM 0 HB VAL A 6 -21.966 31.386 -51.260 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -23.748 30.066 -50.019 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -24.365 30.824 -51.507 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -23.985 29.085 -51.486 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -21.484 29.476 -49.741 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -21.499 28.390 -51.151 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -20.276 29.677 -51.032 1.00 0.00 H new ATOM 93 N LEU A 7 -20.407 30.577 -54.849 1.00 0.00 N ATOM 94 CA LEU A 7 -19.142 30.964 -55.485 1.00 0.00 C ATOM 95 C LEU A 7 -19.092 32.475 -55.783 1.00 0.00 C ATOM 96 O LEU A 7 -20.087 33.070 -56.210 1.00 0.00 O ATOM 97 CB LEU A 7 -18.907 30.130 -56.761 1.00 0.00 C ATOM 98 CG LEU A 7 -18.841 28.603 -56.556 1.00 0.00 C ATOM 99 CD1 LEU A 7 -18.598 27.915 -57.899 1.00 0.00 C ATOM 100 CD2 LEU A 7 -17.727 28.181 -55.595 1.00 0.00 C ATOM 0 H LEU A 7 -21.003 30.013 -55.455 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.334 30.754 -54.784 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.706 30.349 -57.469 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.975 30.457 -57.221 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.795 28.304 -56.122 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.552 26.836 -57.752 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.413 28.153 -58.583 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.656 28.264 -58.322 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.729 27.096 -55.490 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.764 28.506 -55.989 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.894 28.640 -54.621 1.00 0.00 H new ATOM 112 N ARG A 8 -17.923 33.090 -55.562 1.00 0.00 N ATOM 113 CA ARG A 8 -17.678 34.540 -55.697 1.00 0.00 C ATOM 114 C ARG A 8 -16.224 34.860 -56.066 1.00 0.00 C ATOM 115 O ARG A 8 -15.323 34.064 -55.799 1.00 0.00 O ATOM 116 CB ARG A 8 -18.114 35.262 -54.405 1.00 0.00 C ATOM 117 CG ARG A 8 -17.287 34.873 -53.167 1.00 0.00 C ATOM 118 CD ARG A 8 -17.856 35.470 -51.877 1.00 0.00 C ATOM 119 NE ARG A 8 -17.810 36.948 -51.859 1.00 0.00 N ATOM 120 CZ ARG A 8 -18.052 37.730 -50.820 1.00 0.00 C ATOM 121 NH1 ARG A 8 -18.365 37.252 -49.649 1.00 0.00 N ATOM 122 NH2 ARG A 8 -17.985 39.024 -50.940 1.00 0.00 N ATOM 0 H ARG A 8 -17.090 32.577 -55.274 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.281 34.908 -56.527 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.037 36.339 -54.558 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.164 35.041 -54.213 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.257 33.787 -53.080 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.259 35.211 -53.299 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -18.888 35.142 -51.755 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.296 35.083 -51.026 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.567 37.411 -52.735 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.430 36.244 -49.511 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.545 37.886 -48.871 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.745 39.441 -51.839 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.173 39.621 -50.135 1.00 0.00 H new ATOM 136 N GLY A 9 -15.985 36.051 -56.617 1.00 0.00 N ATOM 137 CA GLY A 9 -14.656 36.580 -56.971 1.00 0.00 C ATOM 138 C GLY A 9 -13.847 37.113 -55.777 1.00 0.00 C ATOM 139 O GLY A 9 -13.288 38.211 -55.851 1.00 0.00 O ATOM 0 H GLY A 9 -16.737 36.703 -56.840 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.083 35.792 -57.460 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.779 37.383 -57.698 1.00 0.00 H new ATOM 143 N SER A 10 -13.832 36.382 -54.658 1.00 0.00 N ATOM 144 CA SER A 10 -13.184 36.759 -53.391 1.00 0.00 C ATOM 145 C SER A 10 -12.723 35.523 -52.596 1.00 0.00 C ATOM 146 O SER A 10 -12.956 34.382 -53.008 1.00 0.00 O ATOM 147 CB SER A 10 -14.155 37.616 -52.563 1.00 0.00 C ATOM 148 OG SER A 10 -13.469 38.269 -51.505 1.00 0.00 O ATOM 0 H SER A 10 -14.290 35.472 -54.605 1.00 0.00 H new ATOM 0 HA SER A 10 -12.289 37.339 -53.616 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.633 38.356 -53.205 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.947 36.987 -52.156 1.00 0.00 H new ATOM 0 HG SER A 10 -14.102 38.811 -50.990 1.00 0.00 H new ATOM 154 N ARG A 11 -12.065 35.738 -51.448 1.00 0.00 N ATOM 155 CA ARG A 11 -11.516 34.703 -50.553 1.00 0.00 C ATOM 156 C ARG A 11 -12.626 34.014 -49.736 1.00 0.00 C ATOM 157 O ARG A 11 -12.814 34.280 -48.548 1.00 0.00 O ATOM 158 CB ARG A 11 -10.398 35.335 -49.698 1.00 0.00 C ATOM 159 CG ARG A 11 -9.525 34.285 -48.993 1.00 0.00 C ATOM 160 CD ARG A 11 -8.459 34.970 -48.129 1.00 0.00 C ATOM 161 NE ARG A 11 -7.602 33.984 -47.440 1.00 0.00 N ATOM 162 CZ ARG A 11 -6.732 34.235 -46.479 1.00 0.00 C ATOM 163 NH1 ARG A 11 -6.539 35.428 -45.997 1.00 0.00 N ATOM 164 NH2 ARG A 11 -6.025 33.282 -45.945 1.00 0.00 N ATOM 0 H ARG A 11 -11.892 36.681 -51.100 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.069 33.896 -51.133 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.768 35.958 -50.333 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.845 35.991 -48.951 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.148 33.642 -48.371 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.046 33.645 -49.733 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.842 35.615 -48.755 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.944 35.610 -47.392 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.691 33.012 -47.736 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.071 36.218 -46.362 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.855 35.573 -45.254 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.138 32.321 -46.268 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.358 33.496 -45.204 1.00 0.00 H new ATOM 178 N LEU A 12 -13.390 33.151 -50.408 1.00 0.00 N ATOM 179 CA LEU A 12 -14.512 32.377 -49.861 1.00 0.00 C ATOM 180 C LEU A 12 -14.060 31.377 -48.771 1.00 0.00 C ATOM 181 O LEU A 12 -12.948 30.842 -48.825 1.00 0.00 O ATOM 182 CB LEU A 12 -15.209 31.682 -51.052 1.00 0.00 C ATOM 183 CG LEU A 12 -16.484 30.877 -50.732 1.00 0.00 C ATOM 184 CD1 LEU A 12 -17.612 31.756 -50.184 1.00 0.00 C ATOM 185 CD2 LEU A 12 -16.987 30.203 -52.007 1.00 0.00 C ATOM 0 H LEU A 12 -13.237 32.962 -51.399 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.214 33.038 -49.352 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.463 32.443 -51.789 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.491 31.010 -51.522 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.218 30.146 -49.968 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -18.486 31.139 -49.976 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.282 32.240 -49.265 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -17.872 32.516 -50.921 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.889 29.632 -51.785 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.213 30.963 -52.755 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.219 29.532 -52.391 1.00 0.00 H new ATOM 197 N GLY A 13 -14.936 31.099 -47.799 1.00 0.00 N ATOM 198 CA GLY A 13 -14.672 30.198 -46.669 1.00 0.00 C ATOM 199 C GLY A 13 -13.895 30.857 -45.520 1.00 0.00 C ATOM 200 O GLY A 13 -13.893 32.083 -45.374 1.00 0.00 O ATOM 0 H GLY A 13 -15.872 31.504 -47.775 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.621 29.823 -46.286 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.110 29.335 -47.028 1.00 0.00 H new ATOM 204 N ALA A 14 -13.246 30.041 -44.683 1.00 0.00 N ATOM 205 CA ALA A 14 -12.429 30.505 -43.556 1.00 0.00 C ATOM 206 C ALA A 14 -11.136 31.212 -44.014 1.00 0.00 C ATOM 207 O ALA A 14 -10.567 30.881 -45.061 1.00 0.00 O ATOM 208 CB ALA A 14 -12.136 29.313 -42.635 1.00 0.00 C ATOM 0 H ALA A 14 -13.274 29.025 -44.770 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.990 31.259 -43.004 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.529 29.645 -41.793 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.074 28.899 -42.265 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.596 28.547 -43.192 1.00 0.00 H new ATOM 214 N VAL A 15 -10.657 32.175 -43.217 1.00 0.00 N ATOM 215 CA VAL A 15 -9.508 33.044 -43.529 1.00 0.00 C ATOM 216 C VAL A 15 -8.497 33.138 -42.379 1.00 0.00 C ATOM 217 O VAL A 15 -8.839 32.963 -41.208 1.00 0.00 O ATOM 218 CB VAL A 15 -9.977 34.455 -43.944 1.00 0.00 C ATOM 219 CG1 VAL A 15 -10.788 34.419 -45.244 1.00 0.00 C ATOM 220 CG2 VAL A 15 -10.802 35.183 -42.874 1.00 0.00 C ATOM 0 H VAL A 15 -11.070 32.380 -42.307 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.994 32.576 -44.369 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.053 35.016 -44.087 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.101 35.430 -45.505 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.172 34.011 -46.046 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.668 33.790 -45.107 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.092 36.166 -43.245 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.696 34.603 -42.647 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.205 35.298 -41.970 1.00 0.00 H new ATOM 230 N SER A 16 -7.245 33.450 -42.726 1.00 0.00 N ATOM 231 CA SER A 16 -6.151 33.781 -41.800 1.00 0.00 C ATOM 232 C SER A 16 -5.204 34.801 -42.452 1.00 0.00 C ATOM 233 O SER A 16 -4.993 34.750 -43.670 1.00 0.00 O ATOM 234 CB SER A 16 -5.392 32.509 -41.406 1.00 0.00 C ATOM 235 OG SER A 16 -4.454 32.789 -40.381 1.00 0.00 O ATOM 0 H SER A 16 -6.950 33.481 -43.702 1.00 0.00 H new ATOM 0 HA SER A 16 -6.568 34.225 -40.896 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.096 31.749 -41.066 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.878 32.101 -42.276 1.00 0.00 H new ATOM 0 HG SER A 16 -4.771 33.546 -39.845 1.00 0.00 H new ATOM 241 N TYR A 17 -4.681 35.756 -41.679 1.00 0.00 N ATOM 242 CA TYR A 17 -3.886 36.886 -42.201 1.00 0.00 C ATOM 243 C TYR A 17 -2.881 37.475 -41.199 1.00 0.00 C ATOM 244 O TYR A 17 -1.740 37.781 -41.548 1.00 0.00 O ATOM 245 CB TYR A 17 -4.846 37.981 -42.713 1.00 0.00 C ATOM 246 CG TYR A 17 -5.849 38.501 -41.692 1.00 0.00 C ATOM 247 CD1 TYR A 17 -7.067 37.819 -41.483 1.00 0.00 C ATOM 248 CD2 TYR A 17 -5.561 39.657 -40.940 1.00 0.00 C ATOM 249 CE1 TYR A 17 -7.979 38.275 -40.511 1.00 0.00 C ATOM 250 CE2 TYR A 17 -6.469 40.115 -39.966 1.00 0.00 C ATOM 251 CZ TYR A 17 -7.681 39.425 -39.747 1.00 0.00 C ATOM 252 OH TYR A 17 -8.553 39.874 -38.802 1.00 0.00 O ATOM 0 H TYR A 17 -4.794 35.773 -40.665 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.276 36.491 -43.013 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.252 38.821 -43.074 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.395 37.588 -43.569 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.301 36.944 -42.071 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.640 40.194 -41.111 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.906 37.745 -40.350 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.238 40.996 -39.385 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.186 40.675 -38.373 1.00 0.00 H new ATOM 262 N GLU A 18 -3.305 37.579 -39.945 1.00 0.00 N ATOM 263 CA GLU A 18 -2.518 37.996 -38.766 1.00 0.00 C ATOM 264 C GLU A 18 -2.965 37.239 -37.513 1.00 0.00 C ATOM 265 O GLU A 18 -2.151 36.704 -36.762 1.00 0.00 O ATOM 266 CB GLU A 18 -2.627 39.515 -38.519 1.00 0.00 C ATOM 267 CG GLU A 18 -1.889 40.367 -39.560 1.00 0.00 C ATOM 268 CD GLU A 18 -1.921 41.859 -39.176 1.00 0.00 C ATOM 269 OE1 GLU A 18 -0.998 42.328 -38.466 1.00 0.00 O ATOM 270 OE2 GLU A 18 -2.864 42.578 -39.588 1.00 0.00 O ATOM 0 H GLU A 18 -4.270 37.362 -39.697 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.476 37.754 -38.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.680 39.798 -38.512 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.230 39.742 -37.530 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.855 40.031 -39.643 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.348 40.230 -40.539 1.00 0.00 H new ATOM 277 N THR A 19 -4.285 37.139 -37.391 1.00 0.00 N ATOM 278 CA THR A 19 -5.058 36.134 -36.637 1.00 0.00 C ATOM 279 C THR A 19 -4.654 36.006 -35.162 1.00 0.00 C ATOM 280 O THR A 19 -3.817 35.184 -34.787 1.00 0.00 O ATOM 281 CB THR A 19 -5.022 34.782 -37.377 1.00 0.00 C ATOM 282 OG1 THR A 19 -5.209 34.980 -38.768 1.00 0.00 O ATOM 283 CG2 THR A 19 -6.134 33.842 -36.913 1.00 0.00 C ATOM 0 H THR A 19 -4.900 37.810 -37.851 1.00 0.00 H new ATOM 0 HA THR A 19 -6.088 36.489 -36.599 1.00 0.00 H new ATOM 0 HB THR A 19 -4.050 34.340 -37.159 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.134 35.256 -38.938 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.069 32.902 -37.462 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.024 33.647 -35.846 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.103 34.305 -37.100 1.00 0.00 H new ATOM 291 N ASP A 20 -5.246 36.834 -34.301 1.00 0.00 N ATOM 292 CA ASP A 20 -4.956 36.872 -32.860 1.00 0.00 C ATOM 293 C ASP A 20 -5.409 35.626 -32.086 1.00 0.00 C ATOM 294 O ASP A 20 -6.366 34.948 -32.463 1.00 0.00 O ATOM 295 CB ASP A 20 -5.495 38.180 -32.254 1.00 0.00 C ATOM 296 CG ASP A 20 -7.033 38.227 -32.208 1.00 0.00 C ATOM 297 OD1 ASP A 20 -7.659 38.558 -33.245 1.00 0.00 O ATOM 298 OD2 ASP A 20 -7.617 37.962 -31.131 1.00 0.00 O ATOM 0 H ASP A 20 -5.954 37.511 -34.587 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.871 36.856 -32.754 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.102 38.296 -31.244 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.128 39.024 -32.838 1.00 0.00 H new ATOM 303 N ARG A 21 -4.718 35.256 -30.998 1.00 0.00 N ATOM 304 CA ARG A 21 -3.629 35.956 -30.269 1.00 0.00 C ATOM 305 C ARG A 21 -2.310 35.175 -30.122 1.00 0.00 C ATOM 306 O ARG A 21 -1.396 35.671 -29.469 1.00 0.00 O ATOM 307 CB ARG A 21 -4.155 36.446 -28.905 1.00 0.00 C ATOM 308 CG ARG A 21 -4.466 35.315 -27.902 1.00 0.00 C ATOM 309 CD ARG A 21 -4.490 35.824 -26.454 1.00 0.00 C ATOM 310 NE ARG A 21 -3.147 36.258 -26.024 1.00 0.00 N ATOM 311 CZ ARG A 21 -2.767 36.613 -24.812 1.00 0.00 C ATOM 312 NH1 ARG A 21 -3.565 36.609 -23.785 1.00 0.00 N ATOM 313 NH2 ARG A 21 -1.534 36.963 -24.624 1.00 0.00 N ATOM 0 H ARG A 21 -4.925 34.362 -30.552 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.350 36.803 -30.896 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.417 37.115 -28.463 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.060 37.032 -29.067 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.430 34.869 -28.146 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.717 34.529 -27.998 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.190 36.656 -26.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.850 35.035 -25.793 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.429 36.287 -26.748 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.537 36.321 -23.896 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.219 36.893 -22.869 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.878 36.960 -25.405 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.219 37.241 -23.695 1.00 0.00 H new ATOM 327 N ASN A 22 -2.201 33.976 -30.705 1.00 0.00 N ATOM 328 CA ASN A 22 -0.990 33.137 -30.655 1.00 0.00 C ATOM 329 C ASN A 22 -0.697 32.320 -31.937 1.00 0.00 C ATOM 330 O ASN A 22 0.421 32.394 -32.440 1.00 0.00 O ATOM 331 CB ASN A 22 -1.023 32.264 -29.385 1.00 0.00 C ATOM 332 CG ASN A 22 0.201 31.367 -29.265 1.00 0.00 C ATOM 333 OD1 ASN A 22 0.104 30.150 -29.293 1.00 0.00 O ATOM 334 ND2 ASN A 22 1.383 31.924 -29.138 1.00 0.00 N ATOM 0 H ASN A 22 -2.962 33.551 -31.234 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.141 33.819 -30.606 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.086 32.907 -28.507 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.922 31.648 -29.394 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.216 31.341 -29.063 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.468 32.940 -29.114 1.00 0.00 H new ATOM 341 N HIS A 23 -1.616 31.569 -32.549 1.00 0.00 N ATOM 342 CA HIS A 23 -3.022 31.286 -32.220 1.00 0.00 C ATOM 343 C HIS A 23 -3.330 29.782 -32.349 1.00 0.00 C ATOM 344 O HIS A 23 -2.641 29.051 -33.063 1.00 0.00 O ATOM 345 CB HIS A 23 -3.927 32.104 -33.162 1.00 0.00 C ATOM 346 CG HIS A 23 -3.745 31.776 -34.628 1.00 0.00 C ATOM 347 ND1 HIS A 23 -2.689 32.213 -35.439 1.00 0.00 N ATOM 348 CD2 HIS A 23 -4.569 30.982 -35.370 1.00 0.00 C ATOM 349 CE1 HIS A 23 -2.908 31.670 -36.650 1.00 0.00 C ATOM 350 NE2 HIS A 23 -4.028 30.928 -36.636 1.00 0.00 N ATOM 0 H HIS A 23 -1.358 31.077 -33.404 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.212 31.571 -31.185 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.968 31.933 -32.888 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.728 33.165 -33.010 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.470 30.491 -35.031 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.273 31.811 -37.512 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.412 30.412 -37.428 1.00 0.00 H new ATOM 358 N ASP A 24 -4.381 29.317 -31.669 1.00 0.00 N ATOM 359 CA ASP A 24 -4.881 27.940 -31.766 1.00 0.00 C ATOM 360 C ASP A 24 -5.820 27.731 -32.967 1.00 0.00 C ATOM 361 O ASP A 24 -6.534 28.641 -33.397 1.00 0.00 O ATOM 362 CB ASP A 24 -5.528 27.503 -30.444 1.00 0.00 C ATOM 363 CG ASP A 24 -6.777 28.312 -30.053 1.00 0.00 C ATOM 364 OD1 ASP A 24 -6.681 29.551 -29.886 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.842 27.682 -29.846 1.00 0.00 O ATOM 0 H ASP A 24 -4.919 29.896 -31.024 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.021 27.296 -31.949 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.800 26.450 -30.517 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.790 27.588 -29.646 1.00 0.00 H new ATOM 370 N LEU A 25 -5.815 26.511 -33.512 1.00 0.00 N ATOM 371 CA LEU A 25 -6.503 26.159 -34.763 1.00 0.00 C ATOM 372 C LEU A 25 -7.871 25.508 -34.498 1.00 0.00 C ATOM 373 O LEU A 25 -8.082 24.311 -34.714 1.00 0.00 O ATOM 374 CB LEU A 25 -5.581 25.299 -35.644 1.00 0.00 C ATOM 375 CG LEU A 25 -4.231 25.939 -36.024 1.00 0.00 C ATOM 376 CD1 LEU A 25 -3.432 24.968 -36.895 1.00 0.00 C ATOM 377 CD2 LEU A 25 -4.390 27.252 -36.793 1.00 0.00 C ATOM 0 H LEU A 25 -5.324 25.723 -33.090 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.722 27.072 -35.316 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.384 24.361 -35.125 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.115 25.049 -36.561 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.713 26.156 -35.090 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.478 25.421 -37.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.253 24.046 -36.342 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.995 24.744 -37.801 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.406 27.655 -37.033 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.942 27.069 -37.715 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.936 27.969 -36.180 1.00 0.00 H new ATOM 389 N ALA A 26 -8.800 26.329 -34.013 1.00 0.00 N ATOM 390 CA ALA A 26 -10.190 25.970 -33.719 1.00 0.00 C ATOM 391 C ALA A 26 -11.143 27.171 -33.939 1.00 0.00 C ATOM 392 O ALA A 26 -10.838 28.269 -33.457 1.00 0.00 O ATOM 393 CB ALA A 26 -10.265 25.468 -32.269 1.00 0.00 C ATOM 0 H ALA A 26 -8.598 27.307 -33.804 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.513 25.183 -34.401 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.293 25.196 -32.031 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.622 24.596 -32.152 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.933 26.256 -31.593 1.00 0.00 H new ATOM 399 N PRO A 27 -12.309 27.001 -34.603 1.00 0.00 N ATOM 400 CA PRO A 27 -13.344 28.039 -34.733 1.00 0.00 C ATOM 401 C PRO A 27 -14.089 28.317 -33.408 1.00 0.00 C ATOM 402 O PRO A 27 -15.237 27.905 -33.217 1.00 0.00 O ATOM 403 CB PRO A 27 -14.265 27.573 -35.879 1.00 0.00 C ATOM 404 CG PRO A 27 -13.405 26.586 -36.659 1.00 0.00 C ATOM 405 CD PRO A 27 -12.592 25.929 -35.549 1.00 0.00 C ATOM 0 HA PRO A 27 -12.904 29.008 -34.970 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.170 27.100 -35.498 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.581 28.409 -36.503 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.009 25.862 -37.206 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.769 27.087 -37.389 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.151 25.122 -35.075 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.672 25.493 -35.939 1.00 0.00 H new ATOM 413 N ARG A 28 -13.419 28.981 -32.456 1.00 0.00 N ATOM 414 CA ARG A 28 -13.943 29.287 -31.113 1.00 0.00 C ATOM 415 C ARG A 28 -13.571 30.676 -30.565 1.00 0.00 C ATOM 416 O ARG A 28 -12.696 31.361 -31.094 1.00 0.00 O ATOM 417 CB ARG A 28 -13.564 28.142 -30.158 1.00 0.00 C ATOM 418 CG ARG A 28 -12.059 28.041 -29.872 1.00 0.00 C ATOM 419 CD ARG A 28 -11.771 26.861 -28.939 1.00 0.00 C ATOM 420 NE ARG A 28 -10.324 26.684 -28.732 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.732 25.824 -27.926 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.390 25.008 -27.151 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.437 25.788 -27.908 1.00 0.00 N ATOM 0 H ARG A 28 -12.472 29.331 -32.600 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.028 29.350 -31.197 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.094 28.278 -29.215 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.907 27.199 -30.584 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.512 27.916 -30.807 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.706 28.967 -29.418 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.260 27.026 -27.979 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.195 25.949 -29.361 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.711 27.295 -29.272 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.410 25.016 -27.150 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.885 24.361 -26.545 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.901 26.415 -28.508 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.954 25.132 -27.294 1.00 0.00 H new ATOM 437 N GLN A 29 -14.263 31.071 -29.495 1.00 0.00 N ATOM 438 CA GLN A 29 -14.233 32.371 -28.817 1.00 0.00 C ATOM 439 C GLN A 29 -14.203 32.153 -27.297 1.00 0.00 C ATOM 440 O GLN A 29 -15.215 31.834 -26.674 1.00 0.00 O ATOM 441 CB GLN A 29 -15.489 33.200 -29.160 1.00 0.00 C ATOM 442 CG GLN A 29 -15.774 33.399 -30.659 1.00 0.00 C ATOM 443 CD GLN A 29 -17.170 32.917 -31.028 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.987 33.636 -31.587 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.473 31.675 -30.717 1.00 0.00 N ATOM 0 H GLN A 29 -14.917 30.434 -29.040 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.344 32.907 -29.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.354 32.717 -28.706 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.391 34.181 -28.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.673 34.454 -30.913 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.033 32.857 -31.247 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.785 31.084 -30.251 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.396 31.304 -30.942 1.00 0.00 H new ATOM 454 N ILE A 30 -13.038 32.306 -26.684 1.00 0.00 N ATOM 455 CA ILE A 30 -12.867 32.270 -25.233 1.00 0.00 C ATOM 456 C ILE A 30 -13.243 33.643 -24.668 1.00 0.00 C ATOM 457 O ILE A 30 -12.511 34.623 -24.833 1.00 0.00 O ATOM 458 CB ILE A 30 -11.436 31.835 -24.859 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.130 30.369 -25.244 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.218 31.950 -23.337 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.235 29.954 -26.717 1.00 0.00 C ATOM 0 H ILE A 30 -12.166 32.462 -27.189 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.527 31.525 -24.788 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.775 32.499 -25.416 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.117 30.145 -24.909 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.803 29.730 -24.672 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.203 31.639 -23.090 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.367 32.984 -23.025 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.930 31.308 -22.818 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.989 28.897 -26.816 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.251 30.125 -27.072 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.539 30.545 -27.312 1.00 0.00 H new ATOM 473 N ALA A 31 -14.382 33.697 -23.987 1.00 0.00 N ATOM 474 CA ALA A 31 -14.798 34.821 -23.153 1.00 0.00 C ATOM 475 C ALA A 31 -14.456 34.561 -21.677 1.00 0.00 C ATOM 476 O ALA A 31 -14.275 33.417 -21.254 1.00 0.00 O ATOM 477 CB ALA A 31 -16.295 35.068 -23.373 1.00 0.00 C ATOM 0 H ALA A 31 -15.063 32.937 -24.000 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.255 35.722 -23.437 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.620 35.906 -22.756 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.475 35.299 -24.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.856 34.175 -23.097 1.00 0.00 H new ATOM 483 N ARG A 32 -14.394 35.627 -20.877 1.00 0.00 N ATOM 484 CA ARG A 32 -14.274 35.566 -19.412 1.00 0.00 C ATOM 485 C ARG A 32 -15.558 36.051 -18.745 1.00 0.00 C ATOM 486 O ARG A 32 -16.249 36.918 -19.286 1.00 0.00 O ATOM 487 CB ARG A 32 -13.026 36.345 -18.940 1.00 0.00 C ATOM 488 CG ARG A 32 -11.865 35.376 -18.689 1.00 0.00 C ATOM 489 CD ARG A 32 -10.571 36.073 -18.256 1.00 0.00 C ATOM 490 NE ARG A 32 -9.629 35.098 -17.670 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.437 35.330 -17.155 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.900 36.518 -17.143 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.763 34.347 -16.636 1.00 0.00 N ATOM 0 H ARG A 32 -14.426 36.582 -21.235 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.136 34.529 -19.108 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.740 37.080 -19.692 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.255 36.895 -18.027 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.158 34.661 -17.920 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.675 34.806 -19.598 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.110 36.562 -19.114 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.797 36.852 -17.528 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.938 34.126 -17.663 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.405 37.310 -17.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.975 36.656 -16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.157 33.406 -16.629 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.840 34.517 -16.235 1.00 0.00 H new ATOM 507 N TYR A 33 -15.845 35.527 -17.554 1.00 0.00 N ATOM 508 CA TYR A 33 -16.966 35.947 -16.714 1.00 0.00 C ATOM 509 C TYR A 33 -16.561 36.006 -15.234 1.00 0.00 C ATOM 510 O TYR A 33 -15.790 35.170 -14.759 1.00 0.00 O ATOM 511 CB TYR A 33 -18.169 35.018 -16.888 1.00 0.00 C ATOM 512 CG TYR A 33 -18.762 34.938 -18.276 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.156 34.154 -19.276 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.957 35.621 -18.548 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.766 34.039 -20.539 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.559 35.521 -19.811 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.988 34.696 -20.794 1.00 0.00 C ATOM 518 OH TYR A 33 -20.653 34.499 -21.955 1.00 0.00 O ATOM 0 H TYR A 33 -15.290 34.780 -17.136 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.251 36.948 -17.036 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.872 34.014 -16.585 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.951 35.340 -16.200 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.226 33.643 -19.075 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.416 36.227 -17.781 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.299 33.448 -21.313 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.459 36.077 -20.027 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.323 35.205 -22.072 1.00 0.00 H new ATOM 528 N ARG A 34 -17.083 37.000 -14.508 1.00 0.00 N ATOM 529 CA ARG A 34 -16.797 37.286 -13.095 1.00 0.00 C ATOM 530 C ARG A 34 -18.006 36.977 -12.218 1.00 0.00 C ATOM 531 O ARG A 34 -19.099 37.478 -12.481 1.00 0.00 O ATOM 532 CB ARG A 34 -16.353 38.752 -12.968 1.00 0.00 C ATOM 533 CG ARG A 34 -15.823 39.069 -11.562 1.00 0.00 C ATOM 534 CD ARG A 34 -15.381 40.528 -11.421 1.00 0.00 C ATOM 535 NE ARG A 34 -14.333 40.920 -12.386 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.050 42.131 -12.824 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.710 43.194 -12.456 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.071 42.271 -13.662 1.00 0.00 N ATOM 0 H ARG A 34 -17.749 37.660 -14.908 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.990 36.643 -12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.577 38.962 -13.704 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.194 39.407 -13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.599 38.854 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.981 38.414 -11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.247 41.177 -11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.012 40.692 -10.409 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.760 40.163 -12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.486 43.111 -11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.450 44.109 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.540 41.455 -13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.831 43.197 -14.016 1.00 0.00 H new ATOM 552 N THR A 35 -17.807 36.171 -11.181 1.00 0.00 N ATOM 553 CA THR A 35 -18.854 35.756 -10.229 1.00 0.00 C ATOM 554 C THR A 35 -19.137 36.848 -9.196 1.00 0.00 C ATOM 555 O THR A 35 -18.464 37.880 -9.139 1.00 0.00 O ATOM 556 CB THR A 35 -18.506 34.442 -9.512 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.345 34.607 -8.760 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.321 33.275 -10.472 1.00 0.00 C ATOM 0 H THR A 35 -16.893 35.773 -10.966 1.00 0.00 H new ATOM 0 HA THR A 35 -19.753 35.588 -10.823 1.00 0.00 H new ATOM 0 HB THR A 35 -19.350 34.202 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.572 34.661 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.077 32.375 -9.908 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.243 33.114 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.511 33.499 -11.166 1.00 0.00 H new ATOM 566 N ASP A 36 -20.116 36.606 -8.323 1.00 0.00 N ATOM 567 CA ASP A 36 -20.525 37.570 -7.294 1.00 0.00 C ATOM 568 C ASP A 36 -19.564 37.588 -6.088 1.00 0.00 C ATOM 569 O ASP A 36 -19.594 38.502 -5.262 1.00 0.00 O ATOM 570 CB ASP A 36 -21.975 37.266 -6.885 1.00 0.00 C ATOM 571 CG ASP A 36 -22.574 38.348 -5.969 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.736 39.506 -6.424 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.923 38.035 -4.804 1.00 0.00 O ATOM 0 H ASP A 36 -20.649 35.737 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.475 38.577 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.589 37.174 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -22.010 36.304 -6.374 1.00 0.00 H new ATOM 578 N ASN A 37 -18.667 36.599 -6.020 1.00 0.00 N ATOM 579 CA ASN A 37 -17.611 36.457 -5.025 1.00 0.00 C ATOM 580 C ASN A 37 -16.249 36.984 -5.556 1.00 0.00 C ATOM 581 O ASN A 37 -15.199 36.740 -4.960 1.00 0.00 O ATOM 582 CB ASN A 37 -17.660 34.978 -4.610 1.00 0.00 C ATOM 583 CG ASN A 37 -16.750 34.608 -3.457 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.665 35.284 -2.441 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.092 33.479 -3.559 1.00 0.00 N ATOM 0 H ASN A 37 -18.662 35.836 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.752 37.075 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.685 34.725 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.397 34.365 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.505 33.159 -2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.167 32.920 -4.409 1.00 0.00 H new ATOM 592 N GLY A 38 -16.264 37.697 -6.694 1.00 0.00 N ATOM 593 CA GLY A 38 -15.092 38.256 -7.391 1.00 0.00 C ATOM 594 C GLY A 38 -14.335 37.270 -8.274 1.00 0.00 C ATOM 595 O GLY A 38 -13.304 37.621 -8.848 1.00 0.00 O ATOM 0 H GLY A 38 -17.136 37.910 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.420 39.094 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.403 38.657 -6.647 1.00 0.00 H new ATOM 599 N GLU A 39 -14.804 36.029 -8.353 1.00 0.00 N ATOM 600 CA GLU A 39 -14.048 34.919 -8.931 1.00 0.00 C ATOM 601 C GLU A 39 -14.231 34.891 -10.446 1.00 0.00 C ATOM 602 O GLU A 39 -15.353 34.771 -10.935 1.00 0.00 O ATOM 603 CB GLU A 39 -14.424 33.576 -8.288 1.00 0.00 C ATOM 604 CG GLU A 39 -14.700 33.668 -6.785 1.00 0.00 C ATOM 605 CD GLU A 39 -14.281 32.380 -6.054 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.066 32.063 -6.007 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.161 31.705 -5.476 1.00 0.00 O ATOM 0 H GLU A 39 -15.728 35.761 -8.015 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.991 35.079 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.308 33.180 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.616 32.864 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.160 34.517 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.761 33.852 -6.620 1.00 0.00 H new ATOM 614 N GLU A 40 -13.140 35.015 -11.190 1.00 0.00 N ATOM 615 CA GLU A 40 -13.168 35.117 -12.655 1.00 0.00 C ATOM 616 C GLU A 40 -12.780 33.786 -13.320 1.00 0.00 C ATOM 617 O GLU A 40 -11.736 33.201 -13.013 1.00 0.00 O ATOM 618 CB GLU A 40 -12.204 36.211 -13.130 1.00 0.00 C ATOM 619 CG GLU A 40 -12.637 37.596 -12.650 1.00 0.00 C ATOM 620 CD GLU A 40 -11.660 38.695 -13.102 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.440 38.602 -12.824 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.131 39.687 -13.705 1.00 0.00 O ATOM 0 H GLU A 40 -12.199 35.049 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.188 35.368 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.201 35.996 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.153 36.203 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.633 37.817 -13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.706 37.597 -11.562 1.00 0.00 H new ATOM 629 N PHE A 41 -13.613 33.326 -14.256 1.00 0.00 N ATOM 630 CA PHE A 41 -13.449 32.075 -15.004 1.00 0.00 C ATOM 631 C PHE A 41 -13.592 32.280 -16.516 1.00 0.00 C ATOM 632 O PHE A 41 -14.144 33.279 -16.976 1.00 0.00 O ATOM 633 CB PHE A 41 -14.473 31.048 -14.508 1.00 0.00 C ATOM 634 CG PHE A 41 -14.302 30.651 -13.053 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.950 31.367 -12.029 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.468 29.570 -12.716 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.779 30.979 -10.695 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.273 29.204 -11.373 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.936 29.908 -10.358 1.00 0.00 C ATOM 0 H PHE A 41 -14.455 33.835 -14.525 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.438 31.708 -14.827 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.475 31.455 -14.647 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.403 30.154 -15.127 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.577 32.212 -12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.972 29.015 -13.498 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.303 31.511 -9.914 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.615 28.384 -11.124 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.799 29.628 -9.324 1.00 0.00 H new ATOM 649 N GLU A 42 -13.117 31.308 -17.295 1.00 0.00 N ATOM 650 CA GLU A 42 -13.105 31.343 -18.761 1.00 0.00 C ATOM 651 C GLU A 42 -14.100 30.346 -19.370 1.00 0.00 C ATOM 652 O GLU A 42 -14.173 29.185 -18.953 1.00 0.00 O ATOM 653 CB GLU A 42 -11.697 31.064 -19.321 1.00 0.00 C ATOM 654 CG GLU A 42 -10.575 31.863 -18.642 1.00 0.00 C ATOM 655 CD GLU A 42 -9.913 31.201 -17.417 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.186 30.017 -17.098 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.117 31.910 -16.757 1.00 0.00 O ATOM 0 H GLU A 42 -12.718 30.450 -16.915 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.408 32.351 -19.043 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.482 30.000 -19.218 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.692 31.289 -20.388 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.801 32.064 -19.383 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.979 32.827 -18.334 1.00 0.00 H new ATOM 664 N VAL A 43 -14.832 30.785 -20.393 1.00 0.00 N ATOM 665 CA VAL A 43 -15.817 29.973 -21.128 1.00 0.00 C ATOM 666 C VAL A 43 -15.533 30.012 -22.641 1.00 0.00 C ATOM 667 O VAL A 43 -15.739 31.051 -23.275 1.00 0.00 O ATOM 668 CB VAL A 43 -17.256 30.433 -20.828 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.271 29.475 -21.460 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.552 30.533 -19.324 1.00 0.00 C ATOM 0 H VAL A 43 -14.759 31.739 -20.747 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.721 28.942 -20.788 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.348 31.430 -21.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.282 29.817 -21.237 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.126 29.452 -22.540 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.129 28.474 -21.053 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.581 30.862 -19.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.413 29.556 -18.860 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.872 31.252 -18.866 1.00 0.00 H new ATOM 680 N PRO A 44 -15.073 28.899 -23.246 1.00 0.00 N ATOM 681 CA PRO A 44 -14.972 28.741 -24.693 1.00 0.00 C ATOM 682 C PRO A 44 -16.350 28.536 -25.345 1.00 0.00 C ATOM 683 O PRO A 44 -17.099 27.620 -24.997 1.00 0.00 O ATOM 684 CB PRO A 44 -14.044 27.541 -24.937 1.00 0.00 C ATOM 685 CG PRO A 44 -13.371 27.288 -23.589 1.00 0.00 C ATOM 686 CD PRO A 44 -14.400 27.798 -22.585 1.00 0.00 C ATOM 0 HA PRO A 44 -14.568 29.644 -25.151 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.606 26.668 -25.269 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.309 27.760 -25.711 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.153 26.231 -23.440 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.426 27.824 -23.504 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.106 27.013 -22.313 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.920 28.128 -21.664 1.00 0.00 H new ATOM 694 N PHE A 45 -16.646 29.372 -26.336 1.00 0.00 N ATOM 695 CA PHE A 45 -17.810 29.292 -27.233 1.00 0.00 C ATOM 696 C PHE A 45 -17.392 28.911 -28.653 1.00 0.00 C ATOM 697 O PHE A 45 -16.388 29.408 -29.149 1.00 0.00 O ATOM 698 CB PHE A 45 -18.527 30.646 -27.264 1.00 0.00 C ATOM 699 CG PHE A 45 -19.336 30.924 -26.017 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.702 31.459 -24.880 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.715 30.641 -25.984 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.448 31.719 -23.722 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.457 30.891 -24.813 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.820 31.428 -23.681 1.00 0.00 C ATOM 0 H PHE A 45 -16.050 30.171 -26.552 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.479 28.520 -26.852 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.789 31.437 -27.393 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.186 30.680 -28.131 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.643 31.669 -24.900 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.204 30.232 -26.856 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.964 32.146 -22.856 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.514 30.670 -24.785 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.386 31.616 -22.781 1.00 0.00 H new ATOM 714 N ALA A 46 -18.185 28.108 -29.353 1.00 0.00 N ATOM 715 CA ALA A 46 -17.943 27.746 -30.753 1.00 0.00 C ATOM 716 C ALA A 46 -18.482 28.821 -31.711 1.00 0.00 C ATOM 717 O ALA A 46 -19.364 29.597 -31.346 1.00 0.00 O ATOM 718 CB ALA A 46 -18.544 26.361 -31.008 1.00 0.00 C ATOM 0 H ALA A 46 -19.026 27.682 -28.963 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.872 27.697 -30.948 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.373 26.076 -32.046 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.072 25.633 -30.349 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.616 26.388 -30.811 1.00 0.00 H new ATOM 724 N ASP A 47 -17.969 28.877 -32.940 1.00 0.00 N ATOM 725 CA ASP A 47 -18.315 29.886 -33.959 1.00 0.00 C ATOM 726 C ASP A 47 -19.812 29.895 -34.346 1.00 0.00 C ATOM 727 O ASP A 47 -20.320 30.897 -34.855 1.00 0.00 O ATOM 728 CB ASP A 47 -17.426 29.645 -35.189 1.00 0.00 C ATOM 729 CG ASP A 47 -17.628 30.696 -36.293 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.218 31.867 -36.098 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.154 30.346 -37.378 1.00 0.00 O ATOM 0 H ASP A 47 -17.279 28.203 -33.271 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.132 30.873 -33.534 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.381 29.647 -34.881 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.637 28.655 -35.594 1.00 0.00 H new ATOM 736 N ASP A 48 -20.535 28.803 -34.078 1.00 0.00 N ATOM 737 CA ASP A 48 -21.996 28.720 -34.268 1.00 0.00 C ATOM 738 C ASP A 48 -22.815 29.390 -33.142 1.00 0.00 C ATOM 739 O ASP A 48 -24.018 29.623 -33.291 1.00 0.00 O ATOM 740 CB ASP A 48 -22.411 27.259 -34.471 1.00 0.00 C ATOM 741 CG ASP A 48 -22.251 26.394 -33.212 1.00 0.00 C ATOM 742 OD1 ASP A 48 -21.161 25.803 -33.028 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.217 26.279 -32.420 1.00 0.00 O ATOM 0 H ASP A 48 -20.124 27.941 -33.720 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.230 29.294 -35.165 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.452 27.227 -34.794 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.814 26.829 -35.275 1.00 0.00 H new ATOM 748 N ALA A 49 -22.150 29.727 -32.037 1.00 0.00 N ATOM 749 CA ALA A 49 -22.679 30.448 -30.878 1.00 0.00 C ATOM 750 C ALA A 49 -22.087 31.869 -30.754 1.00 0.00 C ATOM 751 O ALA A 49 -21.015 32.168 -31.285 1.00 0.00 O ATOM 752 CB ALA A 49 -22.409 29.612 -29.619 1.00 0.00 C ATOM 0 H ALA A 49 -21.165 29.489 -31.920 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.753 30.584 -31.005 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.797 30.135 -28.745 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.903 28.645 -29.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.335 29.462 -29.505 1.00 0.00 H new ATOM 758 N GLU A 50 -22.767 32.743 -30.005 1.00 0.00 N ATOM 759 CA GLU A 50 -22.288 34.086 -29.641 1.00 0.00 C ATOM 760 C GLU A 50 -22.461 34.346 -28.138 1.00 0.00 C ATOM 761 O GLU A 50 -23.465 33.952 -27.543 1.00 0.00 O ATOM 762 CB GLU A 50 -23.013 35.175 -30.449 1.00 0.00 C ATOM 763 CG GLU A 50 -22.521 35.241 -31.898 1.00 0.00 C ATOM 764 CD GLU A 50 -23.300 36.300 -32.701 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.882 37.484 -32.720 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.337 35.960 -33.323 1.00 0.00 O ATOM 0 H GLU A 50 -23.690 32.533 -29.624 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.226 34.127 -29.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.085 34.980 -30.439 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.861 36.143 -29.971 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.457 35.478 -31.914 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.637 34.265 -32.369 1.00 0.00 H new ATOM 773 N ILE A 51 -21.474 35.028 -27.549 1.00 0.00 N ATOM 774 CA ILE A 51 -21.303 35.313 -26.117 1.00 0.00 C ATOM 775 C ILE A 51 -22.527 36.050 -25.544 1.00 0.00 C ATOM 776 O ILE A 51 -22.753 37.223 -25.866 1.00 0.00 O ATOM 777 CB ILE A 51 -20.022 36.143 -25.842 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.802 35.720 -26.695 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.663 36.106 -24.343 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.327 34.277 -26.518 1.00 0.00 C ATOM 0 H ILE A 51 -20.715 35.427 -28.101 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.202 34.349 -25.618 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.261 37.164 -26.141 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.048 35.874 -27.746 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.972 36.386 -26.461 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.762 36.694 -24.170 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.485 36.523 -23.762 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.488 35.075 -24.036 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.468 34.095 -27.164 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.041 34.113 -25.479 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.133 33.593 -26.784 1.00 0.00 H new ATOM 792 N PRO A 52 -23.323 35.389 -24.693 1.00 0.00 N ATOM 793 CA PRO A 52 -24.372 36.031 -23.919 1.00 0.00 C ATOM 794 C PRO A 52 -23.765 36.901 -22.808 1.00 0.00 C ATOM 795 O PRO A 52 -22.693 36.598 -22.276 1.00 0.00 O ATOM 796 CB PRO A 52 -25.216 34.880 -23.375 1.00 0.00 C ATOM 797 CG PRO A 52 -24.222 33.728 -23.242 1.00 0.00 C ATOM 798 CD PRO A 52 -23.191 33.990 -24.333 1.00 0.00 C ATOM 0 HA PRO A 52 -24.983 36.712 -24.511 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.665 35.133 -22.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.032 34.628 -24.052 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.761 33.713 -22.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.711 32.763 -23.380 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.184 33.774 -23.976 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.367 33.348 -25.196 1.00 0.00 H new ATOM 806 N GLY A 53 -24.470 37.974 -22.438 1.00 0.00 N ATOM 807 CA GLY A 53 -24.069 38.943 -21.402 1.00 0.00 C ATOM 808 C GLY A 53 -23.640 38.328 -20.061 1.00 0.00 C ATOM 809 O GLY A 53 -22.786 38.889 -19.371 1.00 0.00 O ATOM 0 H GLY A 53 -25.368 38.204 -22.864 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.245 39.543 -21.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.902 39.623 -21.222 1.00 0.00 H new ATOM 813 N THR A 54 -24.192 37.167 -19.693 1.00 0.00 N ATOM 814 CA THR A 54 -23.754 36.385 -18.530 1.00 0.00 C ATOM 815 C THR A 54 -23.741 34.870 -18.808 1.00 0.00 C ATOM 816 O THR A 54 -24.404 34.393 -19.735 1.00 0.00 O ATOM 817 CB THR A 54 -24.681 36.628 -17.318 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.010 36.248 -17.623 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.795 38.093 -16.901 1.00 0.00 C ATOM 0 H THR A 54 -24.966 36.738 -20.201 1.00 0.00 H new ATOM 0 HA THR A 54 -22.739 36.720 -18.315 1.00 0.00 H new ATOM 0 HB THR A 54 -24.227 36.042 -16.519 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.583 36.407 -16.844 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.464 38.176 -16.044 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.809 38.472 -16.631 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.194 38.677 -17.730 1.00 0.00 H new ATOM 827 N TRP A 55 -22.987 34.101 -18.010 1.00 0.00 N ATOM 828 CA TRP A 55 -22.840 32.640 -18.124 1.00 0.00 C ATOM 829 C TRP A 55 -22.400 31.992 -16.797 1.00 0.00 C ATOM 830 O TRP A 55 -21.671 32.597 -16.008 1.00 0.00 O ATOM 831 CB TRP A 55 -21.826 32.313 -19.226 1.00 0.00 C ATOM 832 CG TRP A 55 -21.790 30.880 -19.652 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.985 29.928 -19.134 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.575 30.204 -20.681 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.172 28.735 -19.799 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.158 28.841 -20.756 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.589 30.618 -21.569 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.717 27.936 -21.671 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.164 29.716 -22.486 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.730 28.378 -22.539 1.00 0.00 C ATOM 0 H TRP A 55 -22.443 34.491 -17.240 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.817 32.227 -18.377 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.049 32.929 -20.097 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.832 32.598 -18.880 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.295 30.079 -18.317 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.647 27.882 -19.607 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.930 31.642 -21.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.373 26.913 -21.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.943 30.054 -23.153 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.175 27.693 -23.245 1.00 0.00 H new ATOM 851 N LEU A 56 -22.826 30.754 -16.526 1.00 0.00 N ATOM 852 CA LEU A 56 -22.502 30.030 -15.288 1.00 0.00 C ATOM 853 C LEU A 56 -21.006 29.660 -15.215 1.00 0.00 C ATOM 854 O LEU A 56 -20.467 29.010 -16.113 1.00 0.00 O ATOM 855 CB LEU A 56 -23.410 28.789 -15.166 1.00 0.00 C ATOM 856 CG LEU A 56 -24.070 28.620 -13.788 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.089 27.481 -13.832 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.052 28.293 -12.697 1.00 0.00 C ATOM 0 H LEU A 56 -23.412 30.219 -17.166 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.693 30.685 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.190 28.849 -15.925 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.820 27.899 -15.385 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.550 29.570 -13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.552 27.369 -12.851 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.857 27.708 -14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.586 26.553 -14.104 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.565 28.183 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.541 27.363 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.323 29.100 -12.626 1.00 0.00 H new ATOM 870 N CYS A 57 -20.340 30.059 -14.133 1.00 0.00 N ATOM 871 CA CYS A 57 -18.910 29.836 -13.907 1.00 0.00 C ATOM 872 C CYS A 57 -18.622 28.569 -13.089 1.00 0.00 C ATOM 873 O CYS A 57 -19.503 28.026 -12.417 1.00 0.00 O ATOM 874 CB CYS A 57 -18.325 31.072 -13.222 1.00 0.00 C ATOM 875 SG CYS A 57 -18.240 32.424 -14.414 1.00 0.00 S ATOM 0 H CYS A 57 -20.791 30.560 -13.367 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.434 29.678 -14.875 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.944 31.359 -12.372 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.331 30.851 -12.833 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.745 33.479 -13.838 1.00 0.00 H new ATOM 881 N ARG A 58 -17.354 28.134 -13.085 1.00 0.00 N ATOM 882 CA ARG A 58 -16.914 26.881 -12.437 1.00 0.00 C ATOM 883 C ARG A 58 -17.045 26.895 -10.906 1.00 0.00 C ATOM 884 O ARG A 58 -17.103 25.829 -10.293 1.00 0.00 O ATOM 885 CB ARG A 58 -15.469 26.520 -12.841 1.00 0.00 C ATOM 886 CG ARG A 58 -15.150 26.675 -14.338 1.00 0.00 C ATOM 887 CD ARG A 58 -13.700 26.276 -14.650 1.00 0.00 C ATOM 888 NE ARG A 58 -13.294 26.802 -15.968 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.244 27.552 -16.250 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.289 27.831 -15.412 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.117 28.102 -17.413 1.00 0.00 N ATOM 0 H ARG A 58 -16.594 28.644 -13.535 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.596 26.113 -12.802 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.782 27.147 -12.273 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.274 25.488 -12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.832 26.057 -14.922 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.317 27.708 -14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.036 26.662 -13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.605 25.190 -14.640 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.896 26.557 -16.754 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.320 27.462 -14.462 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.509 28.419 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.833 27.959 -18.126 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.301 28.679 -17.618 1.00 0.00 H new ATOM 905 N ASN A 59 -17.150 28.081 -10.291 1.00 0.00 N ATOM 906 CA ASN A 59 -17.456 28.232 -8.861 1.00 0.00 C ATOM 907 C ASN A 59 -18.909 27.807 -8.507 1.00 0.00 C ATOM 908 O ASN A 59 -19.237 27.532 -7.352 1.00 0.00 O ATOM 909 CB ASN A 59 -17.200 29.703 -8.487 1.00 0.00 C ATOM 910 CG ASN A 59 -17.473 30.079 -7.035 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.360 29.287 -6.109 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.813 31.325 -6.795 1.00 0.00 N ATOM 0 H ASN A 59 -17.024 28.970 -10.775 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.813 27.567 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.160 29.940 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.817 30.333 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.983 31.632 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.907 31.986 -7.566 1.00 0.00 H new ATOM 919 N GLY A 60 -19.783 27.709 -9.513 1.00 0.00 N ATOM 920 CA GLY A 60 -21.213 27.392 -9.374 1.00 0.00 C ATOM 921 C GLY A 60 -22.117 28.625 -9.225 1.00 0.00 C ATOM 922 O GLY A 60 -23.284 28.491 -8.848 1.00 0.00 O ATOM 0 H GLY A 60 -19.507 27.853 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.534 26.822 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.349 26.748 -8.505 1.00 0.00 H new ATOM 926 N MET A 61 -21.589 29.819 -9.519 1.00 0.00 N ATOM 927 CA MET A 61 -22.296 31.103 -9.531 1.00 0.00 C ATOM 928 C MET A 61 -22.429 31.625 -10.970 1.00 0.00 C ATOM 929 O MET A 61 -21.515 31.460 -11.782 1.00 0.00 O ATOM 930 CB MET A 61 -21.522 32.081 -8.632 1.00 0.00 C ATOM 931 CG MET A 61 -22.255 33.399 -8.343 1.00 0.00 C ATOM 932 SD MET A 61 -23.807 33.271 -7.412 1.00 0.00 S ATOM 933 CE MET A 61 -23.180 32.797 -5.775 1.00 0.00 C ATOM 0 H MET A 61 -20.605 29.920 -9.768 1.00 0.00 H new ATOM 0 HA MET A 61 -23.309 30.990 -9.144 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.302 31.588 -7.685 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.566 32.308 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.579 34.052 -7.792 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.466 33.888 -9.294 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.006 32.765 -5.064 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.715 31.813 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.443 33.528 -5.442 1.00 0.00 H new ATOM 943 N GLU A 62 -23.537 32.287 -11.294 1.00 0.00 N ATOM 944 CA GLU A 62 -23.702 33.034 -12.545 1.00 0.00 C ATOM 945 C GLU A 62 -22.677 34.180 -12.642 1.00 0.00 C ATOM 946 O GLU A 62 -22.726 35.162 -11.898 1.00 0.00 O ATOM 947 CB GLU A 62 -25.152 33.516 -12.748 1.00 0.00 C ATOM 948 CG GLU A 62 -25.842 34.184 -11.543 1.00 0.00 C ATOM 949 CD GLU A 62 -26.678 33.178 -10.724 1.00 0.00 C ATOM 950 OE1 GLU A 62 -26.088 32.311 -10.037 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.931 33.247 -10.767 1.00 0.00 O ATOM 0 H GLU A 62 -24.358 32.322 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.498 32.350 -13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.161 34.222 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.754 32.660 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.088 34.638 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.487 34.989 -11.895 1.00 0.00 H new ATOM 958 N GLY A 63 -21.716 34.028 -13.555 1.00 0.00 N ATOM 959 CA GLY A 63 -20.711 35.035 -13.877 1.00 0.00 C ATOM 960 C GLY A 63 -21.212 36.047 -14.909 1.00 0.00 C ATOM 961 O GLY A 63 -21.974 35.693 -15.811 1.00 0.00 O ATOM 0 H GLY A 63 -21.615 33.175 -14.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.422 35.561 -12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.816 34.543 -14.259 1.00 0.00 H new ATOM 965 N THR A 64 -20.739 37.290 -14.836 1.00 0.00 N ATOM 966 CA THR A 64 -21.028 38.338 -15.833 1.00 0.00 C ATOM 967 C THR A 64 -19.818 38.611 -16.719 1.00 0.00 C ATOM 968 O THR A 64 -18.693 38.628 -16.229 1.00 0.00 O ATOM 969 CB THR A 64 -21.487 39.641 -15.162 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.616 39.391 -14.349 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.882 40.729 -16.167 1.00 0.00 C ATOM 0 H THR A 64 -20.137 37.609 -14.077 1.00 0.00 H new ATOM 0 HA THR A 64 -21.840 37.965 -16.458 1.00 0.00 H new ATOM 0 HB THR A 64 -20.636 39.996 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.903 40.225 -13.922 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.197 41.624 -15.630 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.027 40.968 -16.800 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.704 40.371 -16.787 1.00 0.00 H new ATOM 979 N LEU A 65 -20.047 38.798 -18.020 1.00 0.00 N ATOM 980 CA LEU A 65 -19.020 38.968 -19.051 1.00 0.00 C ATOM 981 C LEU A 65 -18.139 40.204 -18.759 1.00 0.00 C ATOM 982 O LEU A 65 -18.649 41.325 -18.675 1.00 0.00 O ATOM 983 CB LEU A 65 -19.769 39.032 -20.398 1.00 0.00 C ATOM 984 CG LEU A 65 -18.973 38.898 -21.712 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.913 39.249 -22.869 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.736 39.784 -21.845 1.00 0.00 C ATOM 0 H LEU A 65 -20.993 38.837 -18.401 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.314 38.138 -19.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.524 38.246 -20.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.300 39.983 -20.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.606 37.872 -21.723 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.376 39.163 -23.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.761 38.564 -22.870 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.273 40.271 -22.748 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.260 39.602 -22.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.030 40.831 -21.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.034 39.552 -21.044 1.00 0.00 H new ATOM 998 N ILE A 66 -16.822 40.002 -18.623 1.00 0.00 N ATOM 999 CA ILE A 66 -15.803 41.054 -18.428 1.00 0.00 C ATOM 1000 C ILE A 66 -14.625 40.902 -19.401 1.00 0.00 C ATOM 1001 O ILE A 66 -14.319 39.808 -19.878 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.284 41.140 -16.966 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.379 39.974 -16.499 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.428 41.371 -15.968 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.947 38.583 -16.666 1.00 0.00 C ATOM 0 H ILE A 66 -16.416 39.066 -18.646 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.314 41.992 -18.646 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.629 42.011 -16.980 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.439 40.029 -17.048 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.143 40.124 -15.446 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -16.024 41.425 -14.957 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.936 42.306 -16.206 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.138 40.546 -16.031 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.226 37.850 -16.305 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.870 38.496 -16.093 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.155 38.399 -17.720 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.926 42.008 -19.664 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.623 42.008 -20.345 1.00 0.00 C ATOM 1019 C GLU A 67 -11.470 41.802 -19.344 1.00 0.00 C ATOM 1020 O GLU A 67 -11.570 42.175 -18.172 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.435 43.312 -21.140 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.441 43.452 -22.291 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.180 44.735 -23.104 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.752 45.801 -22.767 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.405 44.688 -24.091 1.00 0.00 O ATOM 0 H GLU A 67 -14.250 42.941 -19.409 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.605 41.172 -21.044 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.539 44.162 -20.466 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.422 43.346 -21.541 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.373 42.583 -22.945 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.455 43.471 -21.891 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.350 41.237 -19.810 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.147 40.980 -19.001 1.00 0.00 C ATOM 1034 C GLY A 68 -8.376 42.229 -18.531 1.00 0.00 C ATOM 1035 O GLY A 68 -7.498 42.112 -17.675 1.00 0.00 O ATOM 0 H GLY A 68 -10.250 40.938 -20.780 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.439 40.404 -18.123 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.469 40.354 -19.581 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.706 43.416 -19.057 1.00 0.00 N ATOM 1040 CA ASP A 69 -8.158 44.726 -18.658 1.00 0.00 C ATOM 1041 C ASP A 69 -6.613 44.815 -18.707 1.00 0.00 C ATOM 1042 O ASP A 69 -5.957 45.290 -17.775 1.00 0.00 O ATOM 1043 CB ASP A 69 -8.792 45.173 -17.325 1.00 0.00 C ATOM 1044 CG ASP A 69 -8.510 46.648 -16.981 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -8.619 47.519 -17.879 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -8.233 46.954 -15.795 1.00 0.00 O ATOM 0 H ASP A 69 -9.393 43.497 -19.806 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.448 45.454 -19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.870 45.018 -17.373 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.415 44.541 -16.521 1.00 0.00 H new ATOM 1051 N LEU A 70 -6.020 44.335 -19.808 1.00 0.00 N ATOM 1052 CA LEU A 70 -4.578 44.423 -20.075 1.00 0.00 C ATOM 1053 C LEU A 70 -4.135 45.893 -20.275 1.00 0.00 C ATOM 1054 O LEU A 70 -4.910 46.694 -20.812 1.00 0.00 O ATOM 1055 CB LEU A 70 -4.213 43.573 -21.315 1.00 0.00 C ATOM 1056 CG LEU A 70 -4.099 42.043 -21.141 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -2.985 41.655 -20.166 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -5.396 41.372 -20.693 1.00 0.00 C ATOM 0 H LEU A 70 -6.538 43.866 -20.551 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.046 44.030 -19.209 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.961 43.766 -22.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.260 43.937 -21.700 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.861 41.679 -22.140 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.942 40.570 -20.075 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.030 42.026 -20.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.188 42.093 -19.189 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.235 40.299 -20.593 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.705 41.783 -19.732 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.175 41.555 -21.433 1.00 0.00 H new ATOM 1070 N PRO A 71 -2.886 46.264 -19.919 1.00 0.00 N ATOM 1071 CA PRO A 71 -2.351 47.628 -20.036 1.00 0.00 C ATOM 1072 C PRO A 71 -1.903 47.971 -21.478 1.00 0.00 C ATOM 1073 O PRO A 71 -0.811 48.497 -21.695 1.00 0.00 O ATOM 1074 CB PRO A 71 -1.224 47.678 -18.995 1.00 0.00 C ATOM 1075 CG PRO A 71 -0.650 46.265 -19.070 1.00 0.00 C ATOM 1076 CD PRO A 71 -1.902 45.409 -19.262 1.00 0.00 C ATOM 0 HA PRO A 71 -3.101 48.394 -19.839 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.478 48.434 -19.240 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.600 47.912 -17.999 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.048 46.154 -19.899 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.111 45.997 -18.161 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.683 44.531 -19.869 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.278 45.049 -18.304 1.00 0.00 H new ATOM 1084 N GLU A 72 -2.730 47.613 -22.468 1.00 0.00 N ATOM 1085 CA GLU A 72 -2.490 47.673 -23.923 1.00 0.00 C ATOM 1086 C GLU A 72 -1.026 47.377 -24.352 1.00 0.00 C ATOM 1087 O GLU A 72 -0.367 48.221 -24.973 1.00 0.00 O ATOM 1088 CB GLU A 72 -3.089 48.968 -24.515 1.00 0.00 C ATOM 1089 CG GLU A 72 -2.659 50.268 -23.818 1.00 0.00 C ATOM 1090 CD GLU A 72 -3.107 51.503 -24.624 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -4.275 51.943 -24.474 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -2.296 52.056 -25.408 1.00 0.00 O ATOM 0 H GLU A 72 -3.658 47.244 -22.261 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.028 46.838 -24.372 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.811 49.030 -25.567 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.176 48.897 -24.477 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.089 50.307 -22.817 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.575 50.280 -23.700 1.00 0.00 H new ATOM 1099 N PRO A 73 -0.490 46.174 -24.040 1.00 0.00 N ATOM 1100 CA PRO A 73 0.900 45.816 -24.328 1.00 0.00 C ATOM 1101 C PRO A 73 1.166 45.644 -25.835 1.00 0.00 C ATOM 1102 O PRO A 73 0.328 45.131 -26.582 1.00 0.00 O ATOM 1103 CB PRO A 73 1.160 44.524 -23.546 1.00 0.00 C ATOM 1104 CG PRO A 73 -0.220 43.870 -23.484 1.00 0.00 C ATOM 1105 CD PRO A 73 -1.155 45.070 -23.357 1.00 0.00 C ATOM 0 HA PRO A 73 1.580 46.612 -24.024 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.885 43.886 -24.051 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.554 44.728 -22.550 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.431 43.285 -24.379 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.310 43.195 -22.633 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.124 44.859 -23.809 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.338 45.313 -22.310 1.00 0.00 H new ATOM 1113 N LYS A 74 2.371 46.035 -26.272 1.00 0.00 N ATOM 1114 CA LYS A 74 2.821 45.964 -27.681 1.00 0.00 C ATOM 1115 C LYS A 74 3.437 44.617 -28.093 1.00 0.00 C ATOM 1116 O LYS A 74 3.630 44.372 -29.286 1.00 0.00 O ATOM 1117 CB LYS A 74 3.771 47.141 -27.979 1.00 0.00 C ATOM 1118 CG LYS A 74 5.143 47.021 -27.289 1.00 0.00 C ATOM 1119 CD LYS A 74 6.022 48.240 -27.602 1.00 0.00 C ATOM 1120 CE LYS A 74 7.384 48.102 -26.911 1.00 0.00 C ATOM 1121 NZ LYS A 74 8.261 49.269 -27.194 1.00 0.00 N ATOM 0 H LYS A 74 3.080 46.419 -25.647 1.00 0.00 H new ATOM 0 HA LYS A 74 1.925 46.045 -28.297 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.921 47.211 -29.056 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.295 48.069 -27.662 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.006 46.933 -26.211 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.644 46.112 -27.622 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.160 48.331 -28.679 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.526 49.151 -27.266 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.239 48.007 -25.835 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.873 47.188 -27.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.174 49.143 -26.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.419 49.344 -28.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.805 50.138 -26.850 1.00 0.00 H new ATOM 1135 N LYS A 75 3.771 43.756 -27.123 1.00 0.00 N ATOM 1136 CA LYS A 75 4.474 42.478 -27.336 1.00 0.00 C ATOM 1137 C LYS A 75 3.619 41.483 -28.131 1.00 0.00 C ATOM 1138 O LYS A 75 2.464 41.233 -27.783 1.00 0.00 O ATOM 1139 CB LYS A 75 4.909 41.904 -25.973 1.00 0.00 C ATOM 1140 CG LYS A 75 5.769 40.636 -26.112 1.00 0.00 C ATOM 1141 CD LYS A 75 6.254 40.144 -24.741 1.00 0.00 C ATOM 1142 CE LYS A 75 7.114 38.884 -24.907 1.00 0.00 C ATOM 1143 NZ LYS A 75 7.628 38.397 -23.599 1.00 0.00 N ATOM 0 H LYS A 75 3.555 43.931 -26.142 1.00 0.00 H new ATOM 0 HA LYS A 75 5.363 42.660 -27.939 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.471 42.662 -25.427 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.023 41.675 -25.380 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.190 39.852 -26.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.627 40.843 -26.752 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.832 40.926 -24.249 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.399 39.928 -24.100 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.524 38.100 -25.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.951 39.099 -25.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.205 37.545 -23.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.211 39.137 -23.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.828 38.169 -22.975 1.00 0.00 H new ATOM 1157 N VAL A 76 4.216 40.881 -29.161 1.00 0.00 N ATOM 1158 CA VAL A 76 3.625 39.799 -29.972 1.00 0.00 C ATOM 1159 C VAL A 76 4.547 38.604 -30.103 1.00 0.00 C ATOM 1160 O VAL A 76 5.771 38.744 -30.130 1.00 0.00 O ATOM 1161 CB VAL A 76 3.097 40.286 -31.338 1.00 0.00 C ATOM 1162 CG1 VAL A 76 1.894 41.220 -31.166 1.00 0.00 C ATOM 1163 CG2 VAL A 76 4.162 40.999 -32.180 1.00 0.00 C ATOM 0 H VAL A 76 5.154 41.136 -29.469 1.00 0.00 H new ATOM 0 HA VAL A 76 2.750 39.458 -29.418 1.00 0.00 H new ATOM 0 HB VAL A 76 2.798 39.384 -31.871 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.544 41.547 -32.145 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.092 40.690 -30.652 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.189 42.089 -30.578 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.725 41.316 -33.127 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.529 41.872 -31.640 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.990 40.317 -32.372 1.00 0.00 H new ATOM 1173 N LYS A 77 4.000 37.385 -30.093 1.00 0.00 N ATOM 1174 CA LYS A 77 2.592 36.926 -30.195 1.00 0.00 C ATOM 1175 C LYS A 77 2.257 35.887 -29.088 1.00 0.00 C ATOM 1176 O LYS A 77 1.965 34.728 -29.398 1.00 0.00 O ATOM 1177 CB LYS A 77 2.390 36.412 -31.641 1.00 0.00 C ATOM 1178 CG LYS A 77 0.911 36.345 -32.043 1.00 0.00 C ATOM 1179 CD LYS A 77 0.717 35.741 -33.441 1.00 0.00 C ATOM 1180 CE LYS A 77 -0.778 35.511 -33.688 1.00 0.00 C ATOM 1181 NZ LYS A 77 -1.043 34.822 -34.974 1.00 0.00 N ATOM 0 H LYS A 77 4.614 36.576 -30.000 1.00 0.00 H new ATOM 0 HA LYS A 77 1.886 37.736 -30.015 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.921 37.066 -32.332 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.833 35.421 -31.735 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.364 35.749 -31.312 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.484 37.348 -32.020 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.124 36.410 -34.199 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.260 34.799 -33.522 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.191 34.919 -32.871 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.296 36.470 -33.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.505 35.481 -35.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.145 34.495 -35.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.665 34.005 -34.809 1.00 0.00 H new ATOM 1195 N PRO A 78 2.374 36.243 -27.789 1.00 0.00 N ATOM 1196 CA PRO A 78 2.302 35.284 -26.679 1.00 0.00 C ATOM 1197 C PRO A 78 0.860 34.834 -26.352 1.00 0.00 C ATOM 1198 O PRO A 78 -0.082 35.605 -26.565 1.00 0.00 O ATOM 1199 CB PRO A 78 2.943 36.007 -25.490 1.00 0.00 C ATOM 1200 CG PRO A 78 2.574 37.468 -25.741 1.00 0.00 C ATOM 1201 CD PRO A 78 2.656 37.576 -27.263 1.00 0.00 C ATOM 0 HA PRO A 78 2.818 34.359 -26.936 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.549 35.648 -24.539 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.023 35.862 -25.463 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.576 37.703 -25.371 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.266 38.151 -25.248 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.936 38.302 -27.640 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.644 37.915 -27.575 1.00 0.00 H new ATOM 1209 N PRO A 79 0.663 33.631 -25.771 1.00 0.00 N ATOM 1210 CA PRO A 79 -0.657 33.109 -25.396 1.00 0.00 C ATOM 1211 C PRO A 79 -1.165 33.579 -24.016 1.00 0.00 C ATOM 1212 O PRO A 79 -2.363 33.474 -23.746 1.00 0.00 O ATOM 1213 CB PRO A 79 -0.479 31.588 -25.423 1.00 0.00 C ATOM 1214 CG PRO A 79 0.964 31.402 -24.954 1.00 0.00 C ATOM 1215 CD PRO A 79 1.683 32.609 -25.558 1.00 0.00 C ATOM 0 HA PRO A 79 -1.418 33.478 -26.084 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -1.186 31.087 -24.762 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.634 31.181 -26.422 1.00 0.00 H new ATOM 0 HG2 PRO A 79 1.036 31.392 -23.866 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.386 30.462 -25.310 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.463 32.972 -24.888 1.00 0.00 H new ATOM 0 HD3 PRO A 79 2.168 32.342 -26.497 1.00 0.00 H new ATOM 1223 N ARG A 80 -0.278 34.081 -23.141 1.00 0.00 N ATOM 1224 CA ARG A 80 -0.576 34.513 -21.758 1.00 0.00 C ATOM 1225 C ARG A 80 -1.084 35.957 -21.701 1.00 0.00 C ATOM 1226 O ARG A 80 -2.261 36.167 -21.336 1.00 0.00 O ATOM 1227 CB ARG A 80 0.663 34.275 -20.876 1.00 0.00 C ATOM 1228 CG ARG A 80 0.385 34.549 -19.389 1.00 0.00 C ATOM 1229 CD ARG A 80 1.625 34.246 -18.539 1.00 0.00 C ATOM 1230 NE ARG A 80 1.380 34.502 -17.107 1.00 0.00 N ATOM 1231 CZ ARG A 80 2.242 34.339 -16.121 1.00 0.00 C ATOM 1232 NH1 ARG A 80 3.457 33.915 -16.322 1.00 0.00 N ATOM 1233 NH2 ARG A 80 1.894 34.604 -14.896 1.00 0.00 N ATOM 1234 OXT ARG A 80 -0.348 36.875 -22.124 1.00 0.00 O ATOM 0 H ARG A 80 0.705 34.203 -23.383 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.395 33.911 -21.364 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.999 33.245 -20.996 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.476 34.917 -21.215 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.092 35.590 -19.255 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.451 33.937 -19.052 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.916 33.205 -18.678 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.459 34.859 -18.881 1.00 0.00 H new ATOM 0 HE ARG A 80 0.451 34.839 -16.853 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.771 33.696 -17.268 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.095 33.802 -15.534 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.952 34.939 -14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.563 34.477 -14.137 1.00 0.00 H new TER 1248 ARG A 80