USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 169:sc= -0.884 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= 0.144 K(o=0.14,f=-0.55) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -13:sc= -0.938 USER MOD Single : A 23 THR OG1 : rot -91:sc= 1.28 USER MOD Single : A 24 MET CE :methyl 164:sc= 0 (180deg=-0.444) USER MOD Single : A 27 HIS : no HE2:sc= -0.304 X(o=-0.3,f=-0.69) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.0544 (180deg=-0.375) USER MOD Single : A 34 GLN : amide:sc= -1.8 K(o=-1.8,f=-5.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-2.6!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.26 K(o=-0.26,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.004 X(o=-0.004,f=-0.39) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.134 -0.681 1.332 1.00 63.31 N ATOM 2 CA GLY A 1 -0.937 -0.655 0.512 1.00 62.23 C ATOM 3 C GLY A 1 -1.247 -0.747 -0.969 1.00 63.32 C ATOM 4 O GLY A 1 -1.826 -1.731 -1.429 1.00 3.00 O ATOM 0 H1 GLY A 1 -1.869 -0.616 2.335 1.00 63.31 H new ATOM 0 H2 GLY A 1 -2.744 0.124 1.082 1.00 63.31 H new ATOM 0 H3 GLY A 1 -2.648 -1.570 1.167 1.00 63.31 H new ATOM 0 HA2 GLY A 1 -0.386 0.265 0.708 1.00 62.23 H new ATOM 0 HA3 GLY A 1 -0.287 -1.483 0.796 1.00 62.23 H new ATOM 8 N ALA A 2 -0.862 0.281 -1.718 1.00 3.23 N ATOM 9 CA ALA A 2 -1.102 0.312 -3.155 1.00 64.11 C ATOM 10 C ALA A 2 -0.357 1.469 -3.811 1.00 44.44 C ATOM 11 O ALA A 2 0.389 2.193 -3.152 1.00 53.31 O ATOM 12 CB ALA A 2 -2.593 0.413 -3.439 1.00 60.13 C ATOM 0 H ALA A 2 -0.382 1.104 -1.353 1.00 3.23 H new ATOM 0 HA ALA A 2 -0.724 -0.617 -3.582 1.00 64.11 H new ATOM 0 HB1 ALA A 2 -2.757 0.435 -4.516 1.00 60.13 H new ATOM 0 HB2 ALA A 2 -3.104 -0.450 -3.012 1.00 60.13 H new ATOM 0 HB3 ALA A 2 -2.987 1.326 -2.993 1.00 60.13 H new ATOM 18 N MET A 3 -0.563 1.637 -5.114 1.00 3.24 N ATOM 19 CA MET A 3 0.090 2.708 -5.858 1.00 72.34 C ATOM 20 C MET A 3 -0.167 4.061 -5.203 1.00 74.02 C ATOM 21 O MET A 3 -1.139 4.230 -4.467 1.00 24.35 O ATOM 22 CB MET A 3 -0.406 2.726 -7.306 1.00 5.42 C ATOM 23 CG MET A 3 -0.109 1.444 -8.066 1.00 74.11 C ATOM 24 SD MET A 3 0.312 1.742 -9.794 1.00 15.02 S ATOM 25 CE MET A 3 -1.177 1.169 -10.609 1.00 21.33 C ATOM 0 H MET A 3 -1.176 1.046 -5.675 1.00 3.24 H new ATOM 0 HA MET A 3 1.164 2.520 -5.851 1.00 72.34 H new ATOM 0 HB2 MET A 3 -1.482 2.900 -7.311 1.00 5.42 H new ATOM 0 HB3 MET A 3 0.055 3.564 -7.829 1.00 5.42 H new ATOM 0 HG2 MET A 3 0.715 0.921 -7.580 1.00 74.11 H new ATOM 0 HG3 MET A 3 -0.977 0.787 -8.016 1.00 74.11 H new ATOM 0 HE1 MET A 3 -1.071 1.289 -11.687 1.00 21.33 H new ATOM 0 HE2 MET A 3 -1.338 0.117 -10.375 1.00 21.33 H new ATOM 0 HE3 MET A 3 -2.030 1.752 -10.261 1.00 21.33 H new ATOM 35 N ALA A 4 0.709 5.022 -5.476 1.00 62.13 N ATOM 36 CA ALA A 4 0.575 6.360 -4.915 1.00 4.25 C ATOM 37 C ALA A 4 0.336 7.394 -6.010 1.00 25.12 C ATOM 38 O ALA A 4 0.091 7.044 -7.164 1.00 65.43 O ATOM 39 CB ALA A 4 1.814 6.720 -4.107 1.00 50.15 C ATOM 0 H ALA A 4 1.520 4.898 -6.083 1.00 62.13 H new ATOM 0 HA ALA A 4 -0.291 6.364 -4.253 1.00 4.25 H new ATOM 0 HB1 ALA A 4 1.700 7.722 -3.694 1.00 50.15 H new ATOM 0 HB2 ALA A 4 1.939 6.004 -3.294 1.00 50.15 H new ATOM 0 HB3 ALA A 4 2.691 6.692 -4.754 1.00 50.15 H new ATOM 45 N ARG A 5 0.409 8.668 -5.640 1.00 53.40 N ATOM 46 CA ARG A 5 0.198 9.753 -6.591 1.00 42.03 C ATOM 47 C ARG A 5 1.519 10.190 -7.219 1.00 32.13 C ATOM 48 O ARG A 5 1.563 10.585 -8.383 1.00 63.02 O ATOM 49 CB ARG A 5 -0.469 10.944 -5.900 1.00 60.32 C ATOM 50 CG ARG A 5 -1.628 10.553 -4.997 1.00 65.03 C ATOM 51 CD ARG A 5 -2.679 9.756 -5.753 1.00 62.25 C ATOM 52 NE ARG A 5 -4.010 9.920 -5.176 1.00 72.21 N ATOM 53 CZ ARG A 5 -4.790 10.968 -5.414 1.00 54.21 C ATOM 54 NH1 ARG A 5 -4.375 11.940 -6.214 1.00 44.22 N ATOM 55 NH2 ARG A 5 -5.990 11.046 -4.851 1.00 63.45 N ATOM 0 H ARG A 5 0.613 8.974 -4.689 1.00 53.40 H new ATOM 0 HA ARG A 5 -0.457 9.387 -7.381 1.00 42.03 H new ATOM 0 HB2 ARG A 5 0.277 11.475 -5.310 1.00 60.32 H new ATOM 0 HB3 ARG A 5 -0.829 11.639 -6.659 1.00 60.32 H new ATOM 0 HG2 ARG A 5 -1.255 9.963 -4.160 1.00 65.03 H new ATOM 0 HG3 ARG A 5 -2.083 11.450 -4.577 1.00 65.03 H new ATOM 0 HD2 ARG A 5 -2.694 10.074 -6.796 1.00 62.25 H new ATOM 0 HD3 ARG A 5 -2.408 8.700 -5.745 1.00 62.25 H new ATOM 0 HE ARG A 5 -4.360 9.190 -4.556 1.00 72.21 H new ATOM 0 HH11 ARG A 5 -3.454 11.884 -6.649 1.00 44.22 H new ATOM 0 HH12 ARG A 5 -4.977 12.744 -6.395 1.00 44.22 H new ATOM 0 HH21 ARG A 5 -6.314 10.300 -4.235 1.00 63.45 H new ATOM 0 HH22 ARG A 5 -6.588 11.852 -5.035 1.00 63.45 H new ATOM 69 N ALA A 6 2.592 10.116 -6.438 1.00 12.20 N ATOM 70 CA ALA A 6 3.913 10.502 -6.917 1.00 41.32 C ATOM 71 C ALA A 6 3.887 11.896 -7.535 1.00 43.20 C ATOM 72 O ALA A 6 4.600 12.170 -8.500 1.00 1.12 O ATOM 73 CB ALA A 6 4.427 9.485 -7.926 1.00 13.43 C ATOM 0 H ALA A 6 2.572 9.792 -5.471 1.00 12.20 H new ATOM 0 HA ALA A 6 4.590 10.524 -6.063 1.00 41.32 H new ATOM 0 HB1 ALA A 6 5.415 9.786 -8.275 1.00 13.43 H new ATOM 0 HB2 ALA A 6 4.492 8.505 -7.454 1.00 13.43 H new ATOM 0 HB3 ALA A 6 3.742 9.435 -8.773 1.00 13.43 H new ATOM 79 N GLU A 7 3.061 12.773 -6.973 1.00 33.42 N ATOM 80 CA GLU A 7 2.942 14.138 -7.471 1.00 30.11 C ATOM 81 C GLU A 7 4.304 14.826 -7.503 1.00 72.42 C ATOM 82 O GLU A 7 4.566 15.664 -8.365 1.00 64.30 O ATOM 83 CB GLU A 7 1.974 14.940 -6.599 1.00 11.21 C ATOM 84 CG GLU A 7 2.556 15.342 -5.254 1.00 31.51 C ATOM 85 CD GLU A 7 2.884 14.146 -4.380 1.00 54.40 C ATOM 86 OE1 GLU A 7 2.048 13.221 -4.304 1.00 64.25 O ATOM 87 OE2 GLU A 7 3.974 14.137 -3.772 1.00 20.41 O ATOM 0 H GLU A 7 2.465 12.562 -6.173 1.00 33.42 H new ATOM 0 HA GLU A 7 2.552 14.094 -8.488 1.00 30.11 H new ATOM 0 HB2 GLU A 7 1.672 15.838 -7.138 1.00 11.21 H new ATOM 0 HB3 GLU A 7 1.073 14.349 -6.434 1.00 11.21 H new ATOM 0 HG2 GLU A 7 3.460 15.929 -5.414 1.00 31.51 H new ATOM 0 HG3 GLU A 7 1.847 15.985 -4.733 1.00 31.51 H new ATOM 94 N GLU A 8 5.165 14.465 -6.557 1.00 63.43 N ATOM 95 CA GLU A 8 6.499 15.048 -6.477 1.00 22.12 C ATOM 96 C GLU A 8 7.423 14.440 -7.528 1.00 41.34 C ATOM 97 O GLU A 8 8.423 15.045 -7.916 1.00 42.14 O ATOM 98 CB GLU A 8 7.089 14.837 -5.081 1.00 20.22 C ATOM 99 CG GLU A 8 7.264 13.374 -4.709 1.00 5.11 C ATOM 100 CD GLU A 8 8.280 13.171 -3.601 1.00 40.43 C ATOM 101 OE1 GLU A 8 8.668 14.171 -2.961 1.00 34.32 O ATOM 102 OE2 GLU A 8 8.687 12.012 -3.375 1.00 51.51 O ATOM 0 H GLU A 8 4.963 13.772 -5.836 1.00 63.43 H new ATOM 0 HA GLU A 8 6.412 16.117 -6.670 1.00 22.12 H new ATOM 0 HB2 GLU A 8 8.057 15.336 -5.026 1.00 20.22 H new ATOM 0 HB3 GLU A 8 6.442 15.315 -4.346 1.00 20.22 H new ATOM 0 HG2 GLU A 8 6.303 12.965 -4.395 1.00 5.11 H new ATOM 0 HG3 GLU A 8 7.576 12.814 -5.590 1.00 5.11 H new ATOM 109 N HIS A 9 7.081 13.240 -7.985 1.00 61.24 N ATOM 110 CA HIS A 9 7.879 12.549 -8.992 1.00 42.23 C ATOM 111 C HIS A 9 7.537 13.048 -10.393 1.00 34.21 C ATOM 112 O HIS A 9 8.091 12.572 -11.384 1.00 44.41 O ATOM 113 CB HIS A 9 7.652 11.040 -8.906 1.00 63.40 C ATOM 114 CG HIS A 9 8.900 10.234 -9.099 1.00 4.44 C ATOM 115 ND1 HIS A 9 9.801 10.473 -10.115 1.00 54.14 N ATOM 116 CD2 HIS A 9 9.397 9.189 -8.396 1.00 51.40 C ATOM 117 CE1 HIS A 9 10.796 9.609 -10.031 1.00 61.31 C ATOM 118 NE2 HIS A 9 10.575 8.819 -8.996 1.00 24.23 N ATOM 0 H HIS A 9 6.257 12.726 -7.674 1.00 61.24 H new ATOM 0 HA HIS A 9 8.930 12.762 -8.796 1.00 42.23 H new ATOM 0 HB2 HIS A 9 7.222 10.801 -7.934 1.00 63.40 H new ATOM 0 HB3 HIS A 9 6.920 10.748 -9.659 1.00 63.40 H new ATOM 0 HD1 HIS A 9 9.713 11.203 -10.821 1.00 54.14 H new ATOM 0 HD2 HIS A 9 8.950 8.732 -7.526 1.00 51.40 H new ATOM 0 HE1 HIS A 9 11.646 9.557 -10.696 1.00 61.31 H new ATOM 126 N ILE A 10 6.620 14.007 -10.466 1.00 72.25 N ATOM 127 CA ILE A 10 6.204 14.569 -11.745 1.00 43.14 C ATOM 128 C ILE A 10 7.266 15.511 -12.303 1.00 64.40 C ATOM 129 O ILE A 10 7.577 15.477 -13.494 1.00 53.41 O ATOM 130 CB ILE A 10 4.873 15.333 -11.619 1.00 30.14 C ATOM 131 CG1 ILE A 10 3.801 14.434 -11.000 1.00 31.42 C ATOM 132 CG2 ILE A 10 4.423 15.843 -12.980 1.00 23.04 C ATOM 133 CD1 ILE A 10 3.525 13.182 -11.803 1.00 20.21 C ATOM 0 H ILE A 10 6.151 14.411 -9.655 1.00 72.25 H new ATOM 0 HA ILE A 10 6.069 13.731 -12.428 1.00 43.14 H new ATOM 0 HB ILE A 10 5.024 16.191 -10.964 1.00 30.14 H new ATOM 0 HG12 ILE A 10 4.113 14.150 -9.995 1.00 31.42 H new ATOM 0 HG13 ILE A 10 2.876 15.002 -10.898 1.00 31.42 H new ATOM 0 HG21 ILE A 10 3.481 16.381 -12.874 1.00 23.04 H new ATOM 0 HG22 ILE A 10 5.180 16.514 -13.386 1.00 23.04 H new ATOM 0 HG23 ILE A 10 4.285 15.000 -13.657 1.00 23.04 H new ATOM 0 HD11 ILE A 10 2.755 12.593 -11.305 1.00 20.21 H new ATOM 0 HD12 ILE A 10 3.183 13.458 -12.800 1.00 20.21 H new ATOM 0 HD13 ILE A 10 4.438 12.592 -11.883 1.00 20.21 H new ATOM 145 N TYR A 11 7.822 16.348 -11.434 1.00 73.12 N ATOM 146 CA TYR A 11 8.849 17.300 -11.840 1.00 23.55 C ATOM 147 C TYR A 11 9.882 17.490 -10.733 1.00 64.11 C ATOM 148 O TYR A 11 9.535 17.773 -9.587 1.00 3.45 O ATOM 149 CB TYR A 11 8.216 18.645 -12.198 1.00 35.23 C ATOM 150 CG TYR A 11 7.684 18.706 -13.612 1.00 44.50 C ATOM 151 CD1 TYR A 11 8.526 18.995 -14.679 1.00 71.44 C ATOM 152 CD2 TYR A 11 6.341 18.476 -13.881 1.00 32.50 C ATOM 153 CE1 TYR A 11 8.045 19.053 -15.973 1.00 34.31 C ATOM 154 CE2 TYR A 11 5.851 18.530 -15.172 1.00 0.14 C ATOM 155 CZ TYR A 11 6.707 18.820 -16.214 1.00 33.50 C ATOM 156 OH TYR A 11 6.224 18.875 -17.501 1.00 53.13 O ATOM 0 H TYR A 11 7.579 16.386 -10.444 1.00 73.12 H new ATOM 0 HA TYR A 11 9.353 16.899 -12.719 1.00 23.55 H new ATOM 0 HB2 TYR A 11 7.402 18.850 -11.503 1.00 35.23 H new ATOM 0 HB3 TYR A 11 8.957 19.433 -12.063 1.00 35.23 H new ATOM 0 HD1 TYR A 11 9.574 19.177 -14.494 1.00 71.44 H new ATOM 0 HD2 TYR A 11 5.668 18.251 -13.067 1.00 32.50 H new ATOM 0 HE1 TYR A 11 8.713 19.279 -16.791 1.00 34.31 H new ATOM 0 HE2 TYR A 11 4.804 18.346 -15.364 1.00 0.14 H new ATOM 0 HH TYR A 11 5.262 18.686 -17.498 1.00 53.13 H new ATOM 166 N ARG A 12 11.154 17.332 -11.086 1.00 51.45 N ATOM 167 CA ARG A 12 12.239 17.486 -10.125 1.00 33.03 C ATOM 168 C ARG A 12 12.375 18.941 -9.687 1.00 11.34 C ATOM 169 O ARG A 12 12.541 19.229 -8.502 1.00 13.41 O ATOM 170 CB ARG A 12 13.557 16.998 -10.729 1.00 0.54 C ATOM 171 CG ARG A 12 13.908 17.669 -12.047 1.00 33.21 C ATOM 172 CD ARG A 12 14.901 18.803 -11.848 1.00 52.12 C ATOM 173 NE ARG A 12 14.814 19.799 -12.913 1.00 4.01 N ATOM 174 CZ ARG A 12 15.778 20.672 -13.182 1.00 44.34 C ATOM 175 NH1 ARG A 12 16.896 20.672 -12.469 1.00 50.20 N ATOM 176 NH2 ARG A 12 15.626 21.548 -14.168 1.00 33.14 N ATOM 0 H ARG A 12 11.458 17.097 -12.031 1.00 51.45 H new ATOM 0 HA ARG A 12 12.003 16.882 -9.249 1.00 33.03 H new ATOM 0 HB2 ARG A 12 14.362 17.175 -10.015 1.00 0.54 H new ATOM 0 HB3 ARG A 12 13.499 15.921 -10.884 1.00 0.54 H new ATOM 0 HG2 ARG A 12 14.328 16.932 -12.731 1.00 33.21 H new ATOM 0 HG3 ARG A 12 13.001 18.055 -12.513 1.00 33.21 H new ATOM 0 HD2 ARG A 12 14.716 19.283 -10.887 1.00 52.12 H new ATOM 0 HD3 ARG A 12 15.912 18.398 -11.812 1.00 52.12 H new ATOM 0 HE ARG A 12 13.967 19.825 -13.481 1.00 4.01 H new ATOM 0 HH11 ARG A 12 17.018 20.000 -11.711 1.00 50.20 H new ATOM 0 HH12 ARG A 12 17.634 21.344 -12.678 1.00 50.20 H new ATOM 0 HH21 ARG A 12 14.768 21.551 -14.720 1.00 33.14 H new ATOM 0 HH22 ARG A 12 16.367 22.218 -14.374 1.00 33.14 H new ATOM 190 N GLU A 13 12.304 19.853 -10.651 1.00 43.42 N ATOM 191 CA GLU A 13 12.421 21.278 -10.364 1.00 42.32 C ATOM 192 C GLU A 13 11.344 21.725 -9.380 1.00 50.31 C ATOM 193 O GLU A 13 11.608 22.512 -8.470 1.00 32.40 O ATOM 194 CB GLU A 13 12.317 22.092 -11.656 1.00 34.40 C ATOM 195 CG GLU A 13 13.563 22.904 -11.966 1.00 55.04 C ATOM 196 CD GLU A 13 13.478 24.325 -11.443 1.00 21.41 C ATOM 197 OE1 GLU A 13 12.462 24.998 -11.714 1.00 43.11 O ATOM 198 OE2 GLU A 13 14.429 24.763 -10.761 1.00 72.54 O ATOM 0 H GLU A 13 12.166 19.631 -11.637 1.00 43.42 H new ATOM 0 HA GLU A 13 13.397 21.452 -9.911 1.00 42.32 H new ATOM 0 HB2 GLU A 13 12.119 21.415 -12.487 1.00 34.40 H new ATOM 0 HB3 GLU A 13 11.463 22.766 -11.583 1.00 34.40 H new ATOM 0 HG2 GLU A 13 14.431 22.411 -11.529 1.00 55.04 H new ATOM 0 HG3 GLU A 13 13.719 22.926 -13.045 1.00 55.04 H new ATOM 205 N ILE A 14 10.130 21.219 -9.570 1.00 64.14 N ATOM 206 CA ILE A 14 9.014 21.565 -8.700 1.00 54.10 C ATOM 207 C ILE A 14 9.321 21.218 -7.247 1.00 75.43 C ATOM 208 O ILE A 14 8.713 21.764 -6.327 1.00 25.55 O ATOM 209 CB ILE A 14 7.722 20.843 -9.127 1.00 61.10 C ATOM 210 CG1 ILE A 14 7.336 21.242 -10.553 1.00 11.54 C ATOM 211 CG2 ILE A 14 6.593 21.160 -8.158 1.00 31.20 C ATOM 212 CD1 ILE A 14 6.977 22.705 -10.694 1.00 11.11 C ATOM 0 H ILE A 14 9.895 20.568 -10.319 1.00 64.14 H new ATOM 0 HA ILE A 14 8.866 22.641 -8.790 1.00 54.10 H new ATOM 0 HB ILE A 14 7.900 19.768 -9.107 1.00 61.10 H new ATOM 0 HG12 ILE A 14 8.165 21.013 -11.223 1.00 11.54 H new ATOM 0 HG13 ILE A 14 6.489 20.636 -10.875 1.00 11.54 H new ATOM 0 HG21 ILE A 14 5.687 20.643 -8.473 1.00 31.20 H new ATOM 0 HG22 ILE A 14 6.870 20.830 -7.157 1.00 31.20 H new ATOM 0 HG23 ILE A 14 6.412 22.235 -8.149 1.00 31.20 H new ATOM 0 HD11 ILE A 14 6.714 22.917 -11.730 1.00 11.11 H new ATOM 0 HD12 ILE A 14 6.128 22.935 -10.050 1.00 11.11 H new ATOM 0 HD13 ILE A 14 7.830 23.319 -10.403 1.00 11.11 H new ATOM 224 N MET A 15 10.268 20.307 -7.050 1.00 62.00 N ATOM 225 CA MET A 15 10.658 19.889 -5.708 1.00 62.25 C ATOM 226 C MET A 15 10.997 21.096 -4.840 1.00 1.02 C ATOM 227 O MET A 15 10.894 21.038 -3.615 1.00 3.30 O ATOM 228 CB MET A 15 11.857 18.941 -5.775 1.00 22.10 C ATOM 229 CG MET A 15 12.189 18.286 -4.444 1.00 13.01 C ATOM 230 SD MET A 15 12.232 16.486 -4.547 1.00 1.41 S ATOM 231 CE MET A 15 12.433 16.053 -2.821 1.00 1.23 C ATOM 0 H MET A 15 10.779 19.844 -7.802 1.00 62.00 H new ATOM 0 HA MET A 15 9.815 19.366 -5.258 1.00 62.25 H new ATOM 0 HB2 MET A 15 11.655 18.164 -6.512 1.00 22.10 H new ATOM 0 HB3 MET A 15 12.728 19.494 -6.126 1.00 22.10 H new ATOM 0 HG2 MET A 15 13.156 18.649 -4.096 1.00 13.01 H new ATOM 0 HG3 MET A 15 11.450 18.586 -3.701 1.00 13.01 H new ATOM 0 HE1 MET A 15 12.477 14.969 -2.721 1.00 1.23 H new ATOM 0 HE2 MET A 15 13.357 16.490 -2.441 1.00 1.23 H new ATOM 0 HE3 MET A 15 11.588 16.437 -2.249 1.00 1.23 H new ATOM 241 N GLU A 16 11.401 22.187 -5.482 1.00 45.34 N ATOM 242 CA GLU A 16 11.756 23.407 -4.767 1.00 3.14 C ATOM 243 C GLU A 16 10.613 23.859 -3.862 1.00 43.33 C ATOM 244 O GLU A 16 10.800 24.064 -2.662 1.00 52.41 O ATOM 245 CB GLU A 16 12.110 24.520 -5.755 1.00 3.21 C ATOM 246 CG GLU A 16 13.479 24.355 -6.394 1.00 20.44 C ATOM 247 CD GLU A 16 14.580 24.154 -5.370 1.00 72.52 C ATOM 248 OE1 GLU A 16 14.682 24.980 -4.439 1.00 52.15 O ATOM 249 OE2 GLU A 16 15.339 23.171 -5.500 1.00 31.31 O ATOM 0 H GLU A 16 11.491 22.251 -6.496 1.00 45.34 H new ATOM 0 HA GLU A 16 12.626 23.193 -4.146 1.00 3.14 H new ATOM 0 HB2 GLU A 16 11.354 24.552 -6.539 1.00 3.21 H new ATOM 0 HB3 GLU A 16 12.073 25.479 -5.238 1.00 3.21 H new ATOM 0 HG2 GLU A 16 13.459 23.502 -7.073 1.00 20.44 H new ATOM 0 HG3 GLU A 16 13.704 25.236 -6.996 1.00 20.44 H new ATOM 256 N LEU A 17 9.430 24.013 -4.447 1.00 3.54 N ATOM 257 CA LEU A 17 8.256 24.442 -3.695 1.00 12.01 C ATOM 258 C LEU A 17 7.595 23.258 -2.996 1.00 55.34 C ATOM 259 O LEU A 17 7.285 23.321 -1.806 1.00 2.11 O ATOM 260 CB LEU A 17 7.252 25.126 -4.625 1.00 60.52 C ATOM 261 CG LEU A 17 6.334 26.163 -3.977 1.00 23.43 C ATOM 262 CD1 LEU A 17 6.814 27.571 -4.292 1.00 21.05 C ATOM 263 CD2 LEU A 17 4.899 25.970 -4.443 1.00 35.44 C ATOM 0 H LEU A 17 9.259 23.847 -5.439 1.00 3.54 H new ATOM 0 HA LEU A 17 8.581 25.153 -2.936 1.00 12.01 H new ATOM 0 HB2 LEU A 17 7.805 25.612 -5.429 1.00 60.52 H new ATOM 0 HB3 LEU A 17 6.631 24.357 -5.084 1.00 60.52 H new ATOM 0 HG LEU A 17 6.366 26.024 -2.896 1.00 23.43 H new ATOM 0 HD11 LEU A 17 6.149 28.296 -3.823 1.00 21.05 H new ATOM 0 HD12 LEU A 17 7.825 27.705 -3.908 1.00 21.05 H new ATOM 0 HD13 LEU A 17 6.813 27.723 -5.371 1.00 21.05 H new ATOM 0 HD21 LEU A 17 4.260 26.717 -3.972 1.00 35.44 H new ATOM 0 HD22 LEU A 17 4.850 26.082 -5.526 1.00 35.44 H new ATOM 0 HD23 LEU A 17 4.557 24.973 -4.166 1.00 35.44 H new ATOM 275 N CYS A 18 7.383 22.180 -3.743 1.00 51.42 N ATOM 276 CA CYS A 18 6.760 20.981 -3.195 1.00 74.22 C ATOM 277 C CYS A 18 7.411 20.585 -1.874 1.00 62.54 C ATOM 278 O CYS A 18 6.746 20.083 -0.968 1.00 2.24 O ATOM 279 CB CYS A 18 6.860 19.827 -4.194 1.00 22.01 C ATOM 280 SG CYS A 18 6.286 18.239 -3.548 1.00 13.15 S ATOM 0 H CYS A 18 7.633 22.112 -4.729 1.00 51.42 H new ATOM 0 HA CYS A 18 5.709 21.200 -3.009 1.00 74.22 H new ATOM 0 HB2 CYS A 18 6.279 20.078 -5.081 1.00 22.01 H new ATOM 0 HB3 CYS A 18 7.898 19.724 -4.511 1.00 22.01 H new ATOM 0 HG CYS A 18 6.145 18.321 -2.258 1.00 13.15 H new ATOM 286 N PHE A 19 8.717 20.811 -1.773 1.00 52.22 N ATOM 287 CA PHE A 19 9.460 20.475 -0.564 1.00 54.41 C ATOM 288 C PHE A 19 8.878 21.195 0.649 1.00 34.22 C ATOM 289 O PHE A 19 8.747 20.613 1.726 1.00 12.13 O ATOM 290 CB PHE A 19 10.936 20.842 -0.729 1.00 30.12 C ATOM 291 CG PHE A 19 11.728 20.725 0.542 1.00 11.51 C ATOM 292 CD1 PHE A 19 11.657 19.578 1.315 1.00 23.32 C ATOM 293 CD2 PHE A 19 12.543 21.763 0.963 1.00 3.45 C ATOM 294 CE1 PHE A 19 12.384 19.469 2.486 1.00 64.55 C ATOM 295 CE2 PHE A 19 13.273 21.660 2.133 1.00 61.32 C ATOM 296 CZ PHE A 19 13.194 20.510 2.894 1.00 2.22 C ATOM 0 H PHE A 19 9.282 21.225 -2.514 1.00 52.22 H new ATOM 0 HA PHE A 19 9.376 19.400 -0.402 1.00 54.41 H new ATOM 0 HB2 PHE A 19 11.381 20.196 -1.486 1.00 30.12 H new ATOM 0 HB3 PHE A 19 11.009 21.864 -1.100 1.00 30.12 H new ATOM 0 HD1 PHE A 19 11.027 18.760 1.000 1.00 23.32 H new ATOM 0 HD2 PHE A 19 12.609 22.663 0.370 1.00 3.45 H new ATOM 0 HE1 PHE A 19 12.318 18.570 3.081 1.00 64.55 H new ATOM 0 HE2 PHE A 19 13.904 22.477 2.451 1.00 61.32 H new ATOM 0 HZ PHE A 19 13.765 20.425 3.807 1.00 2.22 H new ATOM 306 N VAL A 20 8.530 22.465 0.466 1.00 23.23 N ATOM 307 CA VAL A 20 7.962 23.265 1.545 1.00 71.24 C ATOM 308 C VAL A 20 6.499 22.908 1.781 1.00 54.00 C ATOM 309 O VAL A 20 6.014 22.950 2.912 1.00 0.32 O ATOM 310 CB VAL A 20 8.069 24.771 1.242 1.00 2.34 C ATOM 311 CG1 VAL A 20 7.350 25.583 2.309 1.00 22.43 C ATOM 312 CG2 VAL A 20 9.528 25.190 1.135 1.00 13.11 C ATOM 0 H VAL A 20 8.631 22.962 -0.419 1.00 23.23 H new ATOM 0 HA VAL A 20 8.537 23.041 2.443 1.00 71.24 H new ATOM 0 HB VAL A 20 7.587 24.966 0.284 1.00 2.34 H new ATOM 0 HG11 VAL A 20 7.436 26.645 2.078 1.00 22.43 H new ATOM 0 HG12 VAL A 20 6.297 25.301 2.333 1.00 22.43 H new ATOM 0 HG13 VAL A 20 7.800 25.385 3.282 1.00 22.43 H new ATOM 0 HG21 VAL A 20 9.585 26.257 0.921 1.00 13.11 H new ATOM 0 HG22 VAL A 20 10.036 24.981 2.076 1.00 13.11 H new ATOM 0 HG23 VAL A 20 10.009 24.632 0.331 1.00 13.11 H new ATOM 322 N ILE A 21 5.800 22.556 0.707 1.00 42.43 N ATOM 323 CA ILE A 21 4.392 22.190 0.798 1.00 42.53 C ATOM 324 C ILE A 21 4.217 20.848 1.500 1.00 43.12 C ATOM 325 O ILE A 21 3.256 20.644 2.241 1.00 53.40 O ATOM 326 CB ILE A 21 3.738 22.118 -0.595 1.00 23.12 C ATOM 327 CG1 ILE A 21 4.026 23.396 -1.385 1.00 3.12 C ATOM 328 CG2 ILE A 21 2.239 21.896 -0.465 1.00 32.42 C ATOM 329 CD1 ILE A 21 3.685 24.662 -0.631 1.00 13.30 C ATOM 0 H ILE A 21 6.186 22.517 -0.236 1.00 42.43 H new ATOM 0 HA ILE A 21 3.900 22.969 1.381 1.00 42.53 H new ATOM 0 HB ILE A 21 4.165 21.274 -1.137 1.00 23.12 H new ATOM 0 HG12 ILE A 21 5.082 23.417 -1.655 1.00 3.12 H new ATOM 0 HG13 ILE A 21 3.460 23.373 -2.316 1.00 3.12 H new ATOM 0 HG21 ILE A 21 1.791 21.847 -1.457 1.00 32.42 H new ATOM 0 HG22 ILE A 21 2.054 20.960 0.063 1.00 32.42 H new ATOM 0 HG23 ILE A 21 1.796 22.721 0.093 1.00 32.42 H new ATOM 0 HD11 ILE A 21 3.915 25.528 -1.252 1.00 13.30 H new ATOM 0 HD12 ILE A 21 2.623 24.664 -0.384 1.00 13.30 H new ATOM 0 HD13 ILE A 21 4.271 24.708 0.287 1.00 13.30 H new ATOM 341 N ARG A 22 5.154 19.936 1.262 1.00 3.05 N ATOM 342 CA ARG A 22 5.104 18.613 1.873 1.00 63.25 C ATOM 343 C ARG A 22 5.270 18.706 3.387 1.00 71.44 C ATOM 344 O ARG A 22 4.899 17.789 4.121 1.00 72.15 O ATOM 345 CB ARG A 22 6.194 17.715 1.284 1.00 71.13 C ATOM 346 CG ARG A 22 7.547 17.879 1.955 1.00 4.14 C ATOM 347 CD ARG A 22 7.813 16.764 2.954 1.00 34.43 C ATOM 348 NE ARG A 22 8.749 17.174 3.997 1.00 22.11 N ATOM 349 CZ ARG A 22 10.068 17.178 3.840 1.00 42.52 C ATOM 350 NH1 ARG A 22 10.603 16.797 2.688 1.00 2.21 N ATOM 351 NH2 ARG A 22 10.855 17.566 4.836 1.00 60.53 N ATOM 0 H ARG A 22 5.956 20.089 0.651 1.00 3.05 H new ATOM 0 HA ARG A 22 4.128 18.178 1.658 1.00 63.25 H new ATOM 0 HB2 ARG A 22 5.880 16.675 1.368 1.00 71.13 H new ATOM 0 HB3 ARG A 22 6.297 17.932 0.221 1.00 71.13 H new ATOM 0 HG2 ARG A 22 8.331 17.885 1.198 1.00 4.14 H new ATOM 0 HG3 ARG A 22 7.587 18.842 2.464 1.00 4.14 H new ATOM 0 HD2 ARG A 22 6.873 16.456 3.412 1.00 34.43 H new ATOM 0 HD3 ARG A 22 8.212 15.896 2.430 1.00 34.43 H new ATOM 0 HE ARG A 22 8.369 17.474 4.895 1.00 22.11 H new ATOM 0 HH11 ARG A 22 10.001 16.500 1.920 1.00 2.21 H new ATOM 0 HH12 ARG A 22 11.616 16.801 2.570 1.00 2.21 H new ATOM 0 HH21 ARG A 22 10.447 17.861 5.723 1.00 60.53 H new ATOM 0 HH22 ARG A 22 11.868 17.569 4.714 1.00 60.53 H new ATOM 365 N THR A 23 5.831 19.819 3.848 1.00 15.14 N ATOM 366 CA THR A 23 6.047 20.031 5.274 1.00 41.41 C ATOM 367 C THR A 23 4.761 20.467 5.967 1.00 71.24 C ATOM 368 O THR A 23 4.605 20.291 7.175 1.00 63.55 O ATOM 369 CB THR A 23 7.136 21.091 5.525 1.00 41.51 C ATOM 370 OG1 THR A 23 6.591 22.404 5.354 1.00 54.32 O ATOM 371 CG2 THR A 23 8.310 20.897 4.577 1.00 74.24 C ATOM 0 H THR A 23 6.144 20.588 3.255 1.00 15.14 H new ATOM 0 HA THR A 23 6.374 19.078 5.689 1.00 41.41 H new ATOM 0 HB THR A 23 7.493 20.977 6.548 1.00 41.51 H new ATOM 0 HG1 THR A 23 6.717 22.692 4.426 1.00 54.32 H new ATOM 0 HG21 THR A 23 9.066 21.657 4.774 1.00 74.24 H new ATOM 0 HG22 THR A 23 8.742 19.908 4.730 1.00 74.24 H new ATOM 0 HG23 THR A 23 7.965 20.987 3.547 1.00 74.24 H new ATOM 379 N MET A 24 3.841 21.036 5.194 1.00 64.52 N ATOM 380 CA MET A 24 2.567 21.494 5.734 1.00 11.32 C ATOM 381 C MET A 24 1.497 20.416 5.595 1.00 65.40 C ATOM 382 O MET A 24 0.848 20.043 6.571 1.00 32.04 O ATOM 383 CB MET A 24 2.116 22.771 5.021 1.00 22.25 C ATOM 384 CG MET A 24 2.928 23.998 5.402 1.00 44.24 C ATOM 385 SD MET A 24 2.070 25.062 6.578 1.00 42.15 S ATOM 386 CE MET A 24 2.481 24.258 8.124 1.00 21.23 C ATOM 0 H MET A 24 3.955 21.191 4.192 1.00 64.52 H new ATOM 0 HA MET A 24 2.707 21.707 6.794 1.00 11.32 H new ATOM 0 HB2 MET A 24 2.185 22.620 3.944 1.00 22.25 H new ATOM 0 HB3 MET A 24 1.066 22.954 5.251 1.00 22.25 H new ATOM 0 HG2 MET A 24 3.878 23.681 5.831 1.00 44.24 H new ATOM 0 HG3 MET A 24 3.159 24.569 4.503 1.00 44.24 H new ATOM 0 HE1 MET A 24 2.274 24.935 8.953 1.00 21.23 H new ATOM 0 HE2 MET A 24 1.881 23.355 8.235 1.00 21.23 H new ATOM 0 HE3 MET A 24 3.539 23.994 8.127 1.00 21.23 H new ATOM 396 N ALA A 25 1.320 19.918 4.375 1.00 1.43 N ATOM 397 CA ALA A 25 0.331 18.882 4.110 1.00 73.45 C ATOM 398 C ALA A 25 0.935 17.491 4.273 1.00 42.14 C ATOM 399 O ALA A 25 2.142 17.306 4.115 1.00 41.40 O ATOM 400 CB ALA A 25 -0.246 19.048 2.711 1.00 24.02 C ATOM 0 H ALA A 25 1.849 20.216 3.555 1.00 1.43 H new ATOM 0 HA ALA A 25 -0.473 18.988 4.838 1.00 73.45 H new ATOM 0 HB1 ALA A 25 -0.984 18.267 2.527 1.00 24.02 H new ATOM 0 HB2 ALA A 25 -0.723 20.025 2.628 1.00 24.02 H new ATOM 0 HB3 ALA A 25 0.555 18.971 1.976 1.00 24.02 H new ATOM 406 N ARG A 26 0.089 16.517 4.590 1.00 61.43 N ATOM 407 CA ARG A 26 0.541 15.143 4.776 1.00 0.00 C ATOM 408 C ARG A 26 0.382 14.339 3.489 1.00 43.12 C ATOM 409 O ARG A 26 -0.352 13.351 3.448 1.00 44.11 O ATOM 410 CB ARG A 26 -0.243 14.475 5.907 1.00 23.22 C ATOM 411 CG ARG A 26 -1.750 14.542 5.726 1.00 73.11 C ATOM 412 CD ARG A 26 -2.374 13.155 5.729 1.00 11.14 C ATOM 413 NE ARG A 26 -3.780 13.186 5.337 1.00 55.52 N ATOM 414 CZ ARG A 26 -4.630 12.192 5.568 1.00 73.15 C ATOM 415 NH1 ARG A 26 -4.219 11.094 6.186 1.00 65.32 N ATOM 416 NH2 ARG A 26 -5.895 12.295 5.180 1.00 51.00 N ATOM 0 H ARG A 26 -0.913 16.653 4.723 1.00 61.43 H new ATOM 0 HA ARG A 26 1.598 15.167 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.060 13.430 5.980 1.00 23.22 H new ATOM 0 HB3 ARG A 26 0.022 14.950 6.851 1.00 23.22 H new ATOM 0 HG2 ARG A 26 -2.187 15.141 6.525 1.00 73.11 H new ATOM 0 HG3 ARG A 26 -1.983 15.045 4.787 1.00 73.11 H new ATOM 0 HD2 ARG A 26 -1.822 12.508 5.047 1.00 11.14 H new ATOM 0 HD3 ARG A 26 -2.285 12.720 6.724 1.00 11.14 H new ATOM 0 HE ARG A 26 -4.129 14.017 4.859 1.00 55.52 H new ATOM 0 HH11 ARG A 26 -3.248 11.011 6.486 1.00 65.32 H new ATOM 0 HH12 ARG A 26 -4.874 10.332 6.362 1.00 65.32 H new ATOM 0 HH21 ARG A 26 -6.215 13.138 4.704 1.00 51.00 H new ATOM 0 HH22 ARG A 26 -6.547 11.531 5.358 1.00 51.00 H new ATOM 430 N HIS A 27 1.075 14.770 2.439 1.00 31.30 N ATOM 431 CA HIS A 27 1.011 14.090 1.150 1.00 11.10 C ATOM 432 C HIS A 27 1.329 12.606 1.302 1.00 34.42 C ATOM 433 O HIS A 27 0.921 11.786 0.479 1.00 44.35 O ATOM 434 CB HIS A 27 1.984 14.733 0.162 1.00 43.22 C ATOM 435 CG HIS A 27 3.420 14.402 0.433 1.00 35.02 C ATOM 436 ND1 HIS A 27 4.298 14.001 -0.551 1.00 5.13 N ATOM 437 CD2 HIS A 27 4.129 14.416 1.586 1.00 35.41 C ATOM 438 CE1 HIS A 27 5.486 13.781 -0.015 1.00 35.25 C ATOM 439 NE2 HIS A 27 5.409 14.026 1.281 1.00 24.42 N ATOM 0 H HIS A 27 1.687 15.586 2.456 1.00 31.30 H new ATOM 0 HA HIS A 27 -0.004 14.188 0.765 1.00 11.10 H new ATOM 0 HB2 HIS A 27 1.730 14.410 -0.848 1.00 43.22 H new ATOM 0 HB3 HIS A 27 1.857 15.815 0.192 1.00 43.22 H new ATOM 0 HD1 HIS A 27 4.067 13.891 -1.538 1.00 5.13 H new ATOM 0 HD2 HIS A 27 3.757 14.684 2.564 1.00 35.41 H new ATOM 0 HE1 HIS A 27 6.369 13.456 -0.546 1.00 35.25 H new ATOM 447 N ARG A 28 2.059 12.267 2.360 1.00 53.01 N ATOM 448 CA ARG A 28 2.432 10.882 2.618 1.00 25.24 C ATOM 449 C ARG A 28 1.216 9.965 2.532 1.00 52.04 C ATOM 450 O ARG A 28 1.304 8.847 2.024 1.00 74.02 O ATOM 451 CB ARG A 28 3.082 10.755 3.998 1.00 42.54 C ATOM 452 CG ARG A 28 2.228 11.310 5.126 1.00 4.12 C ATOM 453 CD ARG A 28 1.617 10.196 5.962 1.00 44.03 C ATOM 454 NE ARG A 28 2.533 9.722 6.996 1.00 65.14 N ATOM 455 CZ ARG A 28 2.200 8.828 7.920 1.00 74.14 C ATOM 456 NH1 ARG A 28 0.978 8.313 7.938 1.00 13.51 N ATOM 457 NH2 ARG A 28 3.089 8.446 8.827 1.00 10.33 N ATOM 0 H ARG A 28 2.403 12.933 3.052 1.00 53.01 H new ATOM 0 HA ARG A 28 3.149 10.578 1.855 1.00 25.24 H new ATOM 0 HB2 ARG A 28 3.292 9.704 4.196 1.00 42.54 H new ATOM 0 HB3 ARG A 28 4.040 11.275 3.989 1.00 42.54 H new ATOM 0 HG2 ARG A 28 2.837 11.952 5.763 1.00 4.12 H new ATOM 0 HG3 ARG A 28 1.435 11.932 4.711 1.00 4.12 H new ATOM 0 HD2 ARG A 28 0.699 10.554 6.428 1.00 44.03 H new ATOM 0 HD3 ARG A 28 1.342 9.365 5.313 1.00 44.03 H new ATOM 0 HE ARG A 28 3.481 10.098 7.009 1.00 65.14 H new ATOM 0 HH11 ARG A 28 0.292 8.603 7.241 1.00 13.51 H new ATOM 0 HH12 ARG A 28 0.724 7.627 8.648 1.00 13.51 H new ATOM 0 HH21 ARG A 28 4.030 8.839 8.816 1.00 10.33 H new ATOM 0 HH22 ARG A 28 2.831 7.759 9.536 1.00 10.33 H new ATOM 471 N ARG A 29 0.082 10.446 3.031 1.00 0.11 N ATOM 472 CA ARG A 29 -1.152 9.670 3.012 1.00 63.55 C ATOM 473 C ARG A 29 -2.286 10.468 2.376 1.00 34.40 C ATOM 474 O ARG A 29 -3.403 9.970 2.231 1.00 52.00 O ATOM 475 CB ARG A 29 -1.540 9.253 4.431 1.00 3.15 C ATOM 476 CG ARG A 29 -1.610 7.747 4.627 1.00 41.42 C ATOM 477 CD ARG A 29 -1.853 7.385 6.084 1.00 52.44 C ATOM 478 NE ARG A 29 -3.140 6.722 6.275 1.00 12.33 N ATOM 479 CZ ARG A 29 -3.551 6.238 7.442 1.00 63.41 C ATOM 480 NH1 ARG A 29 -2.779 6.342 8.515 1.00 33.12 N ATOM 481 NH2 ARG A 29 -4.735 5.647 7.537 1.00 54.42 N ATOM 0 H ARG A 29 -0.008 11.370 3.454 1.00 0.11 H new ATOM 0 HA ARG A 29 -0.980 8.776 2.413 1.00 63.55 H new ATOM 0 HB2 ARG A 29 -0.817 9.669 5.133 1.00 3.15 H new ATOM 0 HB3 ARG A 29 -2.509 9.688 4.676 1.00 3.15 H new ATOM 0 HG2 ARG A 29 -2.409 7.336 4.011 1.00 41.42 H new ATOM 0 HG3 ARG A 29 -0.680 7.291 4.288 1.00 41.42 H new ATOM 0 HD2 ARG A 29 -1.053 6.732 6.434 1.00 52.44 H new ATOM 0 HD3 ARG A 29 -1.816 8.288 6.693 1.00 52.44 H new ATOM 0 HE ARG A 29 -3.757 6.625 5.469 1.00 12.33 H new ATOM 0 HH11 ARG A 29 -1.867 6.794 8.446 1.00 33.12 H new ATOM 0 HH12 ARG A 29 -3.097 5.970 9.410 1.00 33.12 H new ATOM 0 HH21 ARG A 29 -5.331 5.564 6.713 1.00 54.42 H new ATOM 0 HH22 ARG A 29 -5.049 5.276 8.434 1.00 54.42 H new ATOM 495 N ASP A 30 -1.992 11.707 2.000 1.00 53.13 N ATOM 496 CA ASP A 30 -2.987 12.574 1.379 1.00 13.22 C ATOM 497 C ASP A 30 -2.712 12.736 -0.113 1.00 14.14 C ATOM 498 O ASP A 30 -3.241 13.641 -0.757 1.00 32.10 O ATOM 499 CB ASP A 30 -2.997 13.944 2.060 1.00 31.32 C ATOM 500 CG ASP A 30 -4.393 14.526 2.168 1.00 5.43 C ATOM 501 OD1 ASP A 30 -5.302 14.021 1.478 1.00 72.23 O ATOM 502 OD2 ASP A 30 -4.575 15.488 2.944 1.00 31.51 O ATOM 0 H ASP A 30 -1.073 12.134 2.114 1.00 53.13 H new ATOM 0 HA ASP A 30 -3.965 12.109 1.501 1.00 13.22 H new ATOM 0 HB2 ASP A 30 -2.566 13.854 3.057 1.00 31.32 H new ATOM 0 HB3 ASP A 30 -2.363 14.630 1.499 1.00 31.32 H new ATOM 507 N GLY A 31 -1.880 11.853 -0.655 1.00 61.43 N ATOM 508 CA GLY A 31 -1.548 11.916 -2.067 1.00 32.33 C ATOM 509 C GLY A 31 -1.091 13.296 -2.494 1.00 11.44 C ATOM 510 O GLY A 31 0.043 13.694 -2.226 1.00 10.02 O ATOM 0 H GLY A 31 -1.430 11.095 -0.142 1.00 61.43 H new ATOM 0 HA2 GLY A 31 -0.762 11.193 -2.285 1.00 32.33 H new ATOM 0 HA3 GLY A 31 -2.419 11.627 -2.655 1.00 32.33 H new ATOM 514 N LYS A 32 -1.975 14.030 -3.162 1.00 3.24 N ATOM 515 CA LYS A 32 -1.657 15.375 -3.628 1.00 31.33 C ATOM 516 C LYS A 32 -1.477 16.330 -2.452 1.00 71.21 C ATOM 517 O LYS A 32 -2.047 16.124 -1.380 1.00 73.23 O ATOM 518 CB LYS A 32 -2.762 15.890 -4.553 1.00 2.31 C ATOM 519 CG LYS A 32 -3.240 14.860 -5.562 1.00 11.53 C ATOM 520 CD LYS A 32 -2.084 14.285 -6.362 1.00 23.43 C ATOM 521 CE LYS A 32 -1.353 15.366 -7.142 1.00 43.12 C ATOM 522 NZ LYS A 32 -2.292 16.219 -7.922 1.00 34.32 N ATOM 0 H LYS A 32 -2.918 13.716 -3.393 1.00 3.24 H new ATOM 0 HA LYS A 32 -0.719 15.329 -4.182 1.00 31.33 H new ATOM 0 HB2 LYS A 32 -3.609 16.214 -3.948 1.00 2.31 H new ATOM 0 HB3 LYS A 32 -2.398 16.768 -5.087 1.00 2.31 H new ATOM 0 HG2 LYS A 32 -3.760 14.055 -5.043 1.00 11.53 H new ATOM 0 HG3 LYS A 32 -3.959 15.320 -6.240 1.00 11.53 H new ATOM 0 HD2 LYS A 32 -1.387 13.786 -5.689 1.00 23.43 H new ATOM 0 HD3 LYS A 32 -2.458 13.528 -7.051 1.00 23.43 H new ATOM 0 HE2 LYS A 32 -0.784 15.989 -6.452 1.00 43.12 H new ATOM 0 HE3 LYS A 32 -0.635 14.903 -7.819 1.00 43.12 H new ATOM 0 HZ1 LYS A 32 -1.754 16.806 -8.591 1.00 34.32 H new ATOM 0 HZ2 LYS A 32 -2.955 15.614 -8.447 1.00 34.32 H new ATOM 0 HZ3 LYS A 32 -2.823 16.834 -7.273 1.00 34.32 H new ATOM 536 N ILE A 33 -0.683 17.375 -2.661 1.00 20.53 N ATOM 537 CA ILE A 33 -0.431 18.362 -1.619 1.00 30.04 C ATOM 538 C ILE A 33 -1.159 19.669 -1.912 1.00 55.11 C ATOM 539 O ILE A 33 -1.166 20.146 -3.047 1.00 22.52 O ATOM 540 CB ILE A 33 1.074 18.649 -1.467 1.00 45.23 C ATOM 541 CG1 ILE A 33 1.897 17.508 -2.069 1.00 34.41 C ATOM 542 CG2 ILE A 33 1.431 18.851 -0.002 1.00 34.41 C ATOM 543 CD1 ILE A 33 3.388 17.666 -1.869 1.00 53.55 C ATOM 0 H ILE A 33 -0.204 17.560 -3.542 1.00 20.53 H new ATOM 0 HA ILE A 33 -0.808 17.940 -0.687 1.00 30.04 H new ATOM 0 HB ILE A 33 1.309 19.566 -2.007 1.00 45.23 H new ATOM 0 HG12 ILE A 33 1.577 16.566 -1.624 1.00 34.41 H new ATOM 0 HG13 ILE A 33 1.687 17.444 -3.137 1.00 34.41 H new ATOM 0 HG21 ILE A 33 2.498 19.053 0.088 1.00 34.41 H new ATOM 0 HG22 ILE A 33 0.867 19.694 0.397 1.00 34.41 H new ATOM 0 HG23 ILE A 33 1.183 17.951 0.560 1.00 34.41 H new ATOM 0 HD11 ILE A 33 3.907 16.821 -2.321 1.00 53.55 H new ATOM 0 HD12 ILE A 33 3.722 18.591 -2.339 1.00 53.55 H new ATOM 0 HD13 ILE A 33 3.610 17.700 -0.802 1.00 53.55 H new ATOM 555 N GLN A 34 -1.770 20.244 -0.881 1.00 54.13 N ATOM 556 CA GLN A 34 -2.501 21.497 -1.029 1.00 40.41 C ATOM 557 C GLN A 34 -2.401 22.339 0.239 1.00 22.41 C ATOM 558 O GLN A 34 -2.475 21.815 1.351 1.00 3.31 O ATOM 559 CB GLN A 34 -3.969 21.221 -1.357 1.00 72.32 C ATOM 560 CG GLN A 34 -4.174 20.528 -2.695 1.00 4.21 C ATOM 561 CD GLN A 34 -4.258 19.020 -2.565 1.00 2.24 C ATOM 562 OE1 GLN A 34 -3.692 18.433 -1.642 1.00 64.44 O ATOM 563 NE2 GLN A 34 -4.967 18.384 -3.490 1.00 13.43 N ATOM 0 H GLN A 34 -1.773 19.863 0.065 1.00 54.13 H new ATOM 0 HA GLN A 34 -2.051 22.055 -1.850 1.00 40.41 H new ATOM 0 HB2 GLN A 34 -4.399 20.604 -0.568 1.00 72.32 H new ATOM 0 HB3 GLN A 34 -4.516 22.164 -1.358 1.00 72.32 H new ATOM 0 HG2 GLN A 34 -5.089 20.900 -3.156 1.00 4.21 H new ATOM 0 HG3 GLN A 34 -3.352 20.786 -3.363 1.00 4.21 H new ATOM 0 HE21 GLN A 34 -5.419 18.911 -4.237 1.00 13.43 H new ATOM 0 HE22 GLN A 34 -5.059 17.369 -3.453 1.00 13.43 H new ATOM 572 N VAL A 35 -2.232 23.645 0.065 1.00 41.53 N ATOM 573 CA VAL A 35 -2.122 24.560 1.195 1.00 32.22 C ATOM 574 C VAL A 35 -2.559 25.968 0.807 1.00 3.03 C ATOM 575 O VAL A 35 -2.445 26.369 -0.352 1.00 35.33 O ATOM 576 CB VAL A 35 -0.682 24.612 1.737 1.00 25.33 C ATOM 577 CG1 VAL A 35 -0.357 23.344 2.513 1.00 44.12 C ATOM 578 CG2 VAL A 35 0.308 24.820 0.601 1.00 71.43 C ATOM 0 H VAL A 35 -2.168 24.094 -0.849 1.00 41.53 H new ATOM 0 HA VAL A 35 -2.782 24.180 1.975 1.00 32.22 H new ATOM 0 HB VAL A 35 -0.600 25.458 2.419 1.00 25.33 H new ATOM 0 HG11 VAL A 35 0.665 23.399 2.888 1.00 44.12 H new ATOM 0 HG12 VAL A 35 -1.047 23.244 3.351 1.00 44.12 H new ATOM 0 HG13 VAL A 35 -0.456 22.480 1.856 1.00 44.12 H new ATOM 0 HG21 VAL A 35 1.321 24.854 1.003 1.00 71.43 H new ATOM 0 HG22 VAL A 35 0.227 23.996 -0.108 1.00 71.43 H new ATOM 0 HG23 VAL A 35 0.087 25.759 0.093 1.00 71.43 H new ATOM 588 N THR A 36 -3.059 26.717 1.785 1.00 5.32 N ATOM 589 CA THR A 36 -3.513 28.081 1.547 1.00 50.41 C ATOM 590 C THR A 36 -2.353 29.068 1.620 1.00 73.04 C ATOM 591 O THR A 36 -1.344 28.808 2.274 1.00 23.54 O ATOM 592 CB THR A 36 -4.592 28.500 2.563 1.00 34.52 C ATOM 593 OG1 THR A 36 -4.216 28.078 3.879 1.00 70.12 O ATOM 594 CG2 THR A 36 -5.941 27.898 2.199 1.00 71.34 C ATOM 0 H THR A 36 -3.160 26.401 2.750 1.00 5.32 H new ATOM 0 HA THR A 36 -3.941 28.100 0.545 1.00 50.41 H new ATOM 0 HB THR A 36 -4.678 29.586 2.541 1.00 34.52 H new ATOM 0 HG1 THR A 36 -4.906 28.350 4.519 1.00 70.12 H new ATOM 0 HG21 THR A 36 -6.687 28.208 2.931 1.00 71.34 H new ATOM 0 HG22 THR A 36 -6.238 28.244 1.209 1.00 71.34 H new ATOM 0 HG23 THR A 36 -5.865 26.811 2.196 1.00 71.34 H new ATOM 602 N PHE A 37 -2.504 30.202 0.944 1.00 51.23 N ATOM 603 CA PHE A 37 -1.468 31.229 0.932 1.00 73.53 C ATOM 604 C PHE A 37 -1.036 31.581 2.352 1.00 43.21 C ATOM 605 O PHE A 37 0.155 31.616 2.659 1.00 20.33 O ATOM 606 CB PHE A 37 -1.971 32.482 0.214 1.00 53.45 C ATOM 607 CG PHE A 37 -1.157 33.710 0.508 1.00 21.55 C ATOM 608 CD1 PHE A 37 0.227 33.668 0.456 1.00 70.12 C ATOM 609 CD2 PHE A 37 -1.775 34.905 0.839 1.00 74.40 C ATOM 610 CE1 PHE A 37 0.979 34.795 0.726 1.00 4.43 C ATOM 611 CE2 PHE A 37 -1.028 36.035 1.110 1.00 14.30 C ATOM 612 CZ PHE A 37 0.351 35.980 1.055 1.00 53.42 C ATOM 0 H PHE A 37 -3.333 30.433 0.397 1.00 51.23 H new ATOM 0 HA PHE A 37 -0.605 30.834 0.396 1.00 73.53 H new ATOM 0 HB2 PHE A 37 -1.966 32.302 -0.861 1.00 53.45 H new ATOM 0 HB3 PHE A 37 -3.006 32.665 0.502 1.00 53.45 H new ATOM 0 HD1 PHE A 37 0.724 32.743 0.201 1.00 70.12 H new ATOM 0 HD2 PHE A 37 -2.853 34.954 0.886 1.00 74.40 H new ATOM 0 HE1 PHE A 37 2.057 34.749 0.680 1.00 4.43 H new ATOM 0 HE2 PHE A 37 -1.522 36.961 1.365 1.00 14.30 H new ATOM 0 HZ PHE A 37 0.937 36.862 1.269 1.00 53.42 H new ATOM 622 N GLY A 38 -2.013 31.843 3.214 1.00 13.33 N ATOM 623 CA GLY A 38 -1.714 32.191 4.591 1.00 34.22 C ATOM 624 C GLY A 38 -0.790 31.189 5.254 1.00 2.33 C ATOM 625 O GLY A 38 0.189 31.569 5.896 1.00 41.44 O ATOM 0 H GLY A 38 -3.006 31.821 2.984 1.00 13.33 H new ATOM 0 HA2 GLY A 38 -1.255 33.179 4.621 1.00 34.22 H new ATOM 0 HA3 GLY A 38 -2.643 32.253 5.157 1.00 34.22 H new ATOM 629 N GLU A 39 -1.102 29.906 5.101 1.00 42.11 N ATOM 630 CA GLU A 39 -0.292 28.848 5.693 1.00 61.33 C ATOM 631 C GLU A 39 1.100 28.814 5.068 1.00 71.32 C ATOM 632 O GLU A 39 2.110 28.816 5.773 1.00 12.10 O ATOM 633 CB GLU A 39 -0.976 27.491 5.514 1.00 34.00 C ATOM 634 CG GLU A 39 -2.014 27.188 6.582 1.00 72.44 C ATOM 635 CD GLU A 39 -1.394 26.693 7.874 1.00 12.11 C ATOM 636 OE1 GLU A 39 -0.949 25.527 7.911 1.00 12.13 O ATOM 637 OE2 GLU A 39 -1.354 27.473 8.849 1.00 52.34 O ATOM 0 H GLU A 39 -1.909 29.574 4.573 1.00 42.11 H new ATOM 0 HA GLU A 39 -0.189 29.058 6.758 1.00 61.33 H new ATOM 0 HB2 GLU A 39 -1.454 27.461 4.535 1.00 34.00 H new ATOM 0 HB3 GLU A 39 -0.218 26.707 5.523 1.00 34.00 H new ATOM 0 HG2 GLU A 39 -2.596 28.088 6.784 1.00 72.44 H new ATOM 0 HG3 GLU A 39 -2.709 26.437 6.206 1.00 72.44 H new ATOM 644 N LEU A 40 1.145 28.782 3.741 1.00 62.54 N ATOM 645 CA LEU A 40 2.413 28.746 3.019 1.00 54.40 C ATOM 646 C LEU A 40 3.318 29.895 3.452 1.00 30.14 C ATOM 647 O LEU A 40 4.482 29.686 3.794 1.00 43.51 O ATOM 648 CB LEU A 40 2.166 28.818 1.511 1.00 34.30 C ATOM 649 CG LEU A 40 2.644 27.617 0.695 1.00 65.41 C ATOM 650 CD1 LEU A 40 2.288 27.792 -0.773 1.00 51.30 C ATOM 651 CD2 LEU A 40 4.145 27.422 0.862 1.00 54.43 C ATOM 0 H LEU A 40 0.319 28.780 3.143 1.00 62.54 H new ATOM 0 HA LEU A 40 2.911 27.806 3.255 1.00 54.40 H new ATOM 0 HB2 LEU A 40 1.096 28.943 1.344 1.00 34.30 H new ATOM 0 HB3 LEU A 40 2.656 29.712 1.125 1.00 34.30 H new ATOM 0 HG LEU A 40 2.138 26.726 1.066 1.00 65.41 H new ATOM 0 HD11 LEU A 40 2.636 26.927 -1.337 1.00 51.30 H new ATOM 0 HD12 LEU A 40 1.207 27.882 -0.877 1.00 51.30 H new ATOM 0 HD13 LEU A 40 2.765 28.693 -1.158 1.00 51.30 H new ATOM 0 HD21 LEU A 40 4.468 26.563 0.274 1.00 54.43 H new ATOM 0 HD22 LEU A 40 4.668 28.314 0.518 1.00 54.43 H new ATOM 0 HD23 LEU A 40 4.375 27.249 1.913 1.00 54.43 H new ATOM 663 N PHE A 41 2.775 31.108 3.438 1.00 34.41 N ATOM 664 CA PHE A 41 3.533 32.290 3.831 1.00 71.32 C ATOM 665 C PHE A 41 4.042 32.158 5.263 1.00 13.34 C ATOM 666 O PHE A 41 5.228 32.351 5.532 1.00 35.34 O ATOM 667 CB PHE A 41 2.667 33.544 3.698 1.00 1.33 C ATOM 668 CG PHE A 41 3.453 34.823 3.753 1.00 13.30 C ATOM 669 CD1 PHE A 41 3.969 35.385 2.596 1.00 30.34 C ATOM 670 CD2 PHE A 41 3.675 35.464 4.961 1.00 22.24 C ATOM 671 CE1 PHE A 41 4.692 36.562 2.643 1.00 21.22 C ATOM 672 CE2 PHE A 41 4.397 36.641 5.014 1.00 1.23 C ATOM 673 CZ PHE A 41 4.907 37.190 3.854 1.00 2.21 C ATOM 0 H PHE A 41 1.813 31.298 3.159 1.00 34.41 H new ATOM 0 HA PHE A 41 4.392 32.378 3.166 1.00 71.32 H new ATOM 0 HB2 PHE A 41 2.122 33.502 2.755 1.00 1.33 H new ATOM 0 HB3 PHE A 41 1.924 33.549 4.495 1.00 1.33 H new ATOM 0 HD1 PHE A 41 3.804 34.897 1.646 1.00 30.34 H new ATOM 0 HD2 PHE A 41 3.279 35.039 5.872 1.00 22.24 H new ATOM 0 HE1 PHE A 41 5.088 36.990 1.734 1.00 21.22 H new ATOM 0 HE2 PHE A 41 4.562 37.131 5.962 1.00 1.23 H new ATOM 0 HZ PHE A 41 5.473 38.109 3.894 1.00 2.21 H new ATOM 683 N ASP A 42 3.136 31.830 6.178 1.00 24.14 N ATOM 684 CA ASP A 42 3.492 31.672 7.584 1.00 42.02 C ATOM 685 C ASP A 42 4.574 30.610 7.754 1.00 33.35 C ATOM 686 O ASP A 42 5.251 30.559 8.781 1.00 21.02 O ATOM 687 CB ASP A 42 2.258 31.297 8.406 1.00 52.55 C ATOM 688 CG ASP A 42 1.702 32.473 9.185 1.00 44.42 C ATOM 689 OD1 ASP A 42 2.454 33.059 9.992 1.00 23.34 O ATOM 690 OD2 ASP A 42 0.516 32.809 8.986 1.00 22.14 O ATOM 0 H ASP A 42 2.150 31.668 5.972 1.00 24.14 H new ATOM 0 HA ASP A 42 3.882 32.624 7.944 1.00 42.02 H new ATOM 0 HB2 ASP A 42 1.487 30.908 7.741 1.00 52.55 H new ATOM 0 HB3 ASP A 42 2.516 30.496 9.098 1.00 52.55 H new ATOM 695 N ARG A 43 4.729 29.763 6.742 1.00 30.32 N ATOM 696 CA ARG A 43 5.726 28.700 6.781 1.00 3.04 C ATOM 697 C ARG A 43 7.027 29.151 6.124 1.00 24.00 C ATOM 698 O ARG A 43 8.116 28.762 6.548 1.00 41.14 O ATOM 699 CB ARG A 43 5.196 27.448 6.081 1.00 31.40 C ATOM 700 CG ARG A 43 6.275 26.426 5.761 1.00 33.20 C ATOM 701 CD ARG A 43 6.984 25.952 7.020 1.00 71.42 C ATOM 702 NE ARG A 43 8.165 25.150 6.713 1.00 25.13 N ATOM 703 CZ ARG A 43 9.060 24.782 7.624 1.00 62.14 C ATOM 704 NH1 ARG A 43 8.908 25.141 8.891 1.00 41.33 N ATOM 705 NH2 ARG A 43 10.110 24.052 7.267 1.00 14.21 N ATOM 0 H ARG A 43 4.177 29.792 5.885 1.00 30.32 H new ATOM 0 HA ARG A 43 5.929 28.465 7.826 1.00 3.04 H new ATOM 0 HB2 ARG A 43 4.441 26.981 6.713 1.00 31.40 H new ATOM 0 HB3 ARG A 43 4.700 27.742 5.156 1.00 31.40 H new ATOM 0 HG2 ARG A 43 5.829 25.573 5.250 1.00 33.20 H new ATOM 0 HG3 ARG A 43 7.001 26.864 5.076 1.00 33.20 H new ATOM 0 HD2 ARG A 43 7.277 26.815 7.618 1.00 71.42 H new ATOM 0 HD3 ARG A 43 6.294 25.364 7.625 1.00 71.42 H new ATOM 0 HE ARG A 43 8.311 24.856 5.747 1.00 25.13 H new ATOM 0 HH11 ARG A 43 8.102 25.701 9.169 1.00 41.33 H new ATOM 0 HH12 ARG A 43 9.597 24.857 9.588 1.00 41.33 H new ATOM 0 HH21 ARG A 43 10.230 23.773 6.293 1.00 14.21 H new ATOM 0 HH22 ARG A 43 10.797 23.770 7.967 1.00 14.21 H new ATOM 719 N TYR A 44 6.906 29.972 5.087 1.00 4.42 N ATOM 720 CA TYR A 44 8.072 30.474 4.369 1.00 21.03 C ATOM 721 C TYR A 44 8.733 31.617 5.134 1.00 31.32 C ATOM 722 O TYR A 44 9.934 31.855 5.003 1.00 55.13 O ATOM 723 CB TYR A 44 7.672 30.946 2.971 1.00 53.15 C ATOM 724 CG TYR A 44 8.179 30.052 1.861 1.00 12.25 C ATOM 725 CD1 TYR A 44 7.476 28.915 1.483 1.00 64.03 C ATOM 726 CD2 TYR A 44 9.360 30.346 1.192 1.00 63.14 C ATOM 727 CE1 TYR A 44 7.937 28.095 0.471 1.00 54.24 C ATOM 728 CE2 TYR A 44 9.827 29.533 0.177 1.00 24.42 C ATOM 729 CZ TYR A 44 9.112 28.408 -0.179 1.00 43.33 C ATOM 730 OH TYR A 44 9.573 27.595 -1.189 1.00 43.01 O ATOM 0 H TYR A 44 6.012 30.304 4.725 1.00 4.42 H new ATOM 0 HA TYR A 44 8.790 29.659 4.279 1.00 21.03 H new ATOM 0 HB2 TYR A 44 6.585 31.002 2.913 1.00 53.15 H new ATOM 0 HB3 TYR A 44 8.052 31.956 2.815 1.00 53.15 H new ATOM 0 HD1 TYR A 44 6.554 28.668 1.988 1.00 64.03 H new ATOM 0 HD2 TYR A 44 9.923 31.225 1.470 1.00 63.14 H new ATOM 0 HE1 TYR A 44 7.380 27.213 0.191 1.00 54.24 H new ATOM 0 HE2 TYR A 44 10.746 29.777 -0.335 1.00 24.42 H new ATOM 0 HH TYR A 44 8.813 27.169 -1.639 1.00 43.01 H new ATOM 740 N VAL A 45 7.939 32.321 5.935 1.00 23.21 N ATOM 741 CA VAL A 45 8.446 33.438 6.724 1.00 74.15 C ATOM 742 C VAL A 45 9.601 33.001 7.617 1.00 45.05 C ATOM 743 O VAL A 45 10.467 33.804 7.966 1.00 31.21 O ATOM 744 CB VAL A 45 7.339 34.054 7.600 1.00 73.32 C ATOM 745 CG1 VAL A 45 6.265 34.693 6.733 1.00 75.52 C ATOM 746 CG2 VAL A 45 6.738 32.999 8.517 1.00 12.53 C ATOM 0 H VAL A 45 6.943 32.138 6.055 1.00 23.21 H new ATOM 0 HA VAL A 45 8.801 34.189 6.018 1.00 74.15 H new ATOM 0 HB VAL A 45 7.782 34.833 8.221 1.00 73.32 H new ATOM 0 HG11 VAL A 45 5.492 35.123 7.370 1.00 75.52 H new ATOM 0 HG12 VAL A 45 6.710 35.478 6.122 1.00 75.52 H new ATOM 0 HG13 VAL A 45 5.823 33.936 6.085 1.00 75.52 H new ATOM 0 HG21 VAL A 45 5.957 33.451 9.129 1.00 12.53 H new ATOM 0 HG22 VAL A 45 6.309 32.197 7.917 1.00 12.53 H new ATOM 0 HG23 VAL A 45 7.516 32.593 9.163 1.00 12.53 H new ATOM 756 N ARG A 46 9.609 31.723 7.982 1.00 4.30 N ATOM 757 CA ARG A 46 10.659 31.179 8.835 1.00 11.22 C ATOM 758 C ARG A 46 11.804 30.618 7.998 1.00 44.34 C ATOM 759 O ARG A 46 12.690 29.938 8.516 1.00 21.11 O ATOM 760 CB ARG A 46 10.092 30.085 9.742 1.00 65.12 C ATOM 761 CG ARG A 46 9.222 30.617 10.868 1.00 12.32 C ATOM 762 CD ARG A 46 9.267 29.706 12.085 1.00 13.51 C ATOM 763 NE ARG A 46 9.558 30.445 13.311 1.00 30.20 N ATOM 764 CZ ARG A 46 10.771 30.875 13.639 1.00 22.44 C ATOM 765 NH1 ARG A 46 11.801 30.641 12.837 1.00 14.10 N ATOM 766 NH2 ARG A 46 10.957 31.540 14.772 1.00 34.04 N ATOM 0 H ARG A 46 8.901 31.045 7.701 1.00 4.30 H new ATOM 0 HA ARG A 46 11.047 31.989 9.452 1.00 11.22 H new ATOM 0 HB2 ARG A 46 9.506 29.392 9.138 1.00 65.12 H new ATOM 0 HB3 ARG A 46 10.917 29.516 10.170 1.00 65.12 H new ATOM 0 HG2 ARG A 46 9.557 31.616 11.147 1.00 12.32 H new ATOM 0 HG3 ARG A 46 8.193 30.711 10.521 1.00 12.32 H new ATOM 0 HD2 ARG A 46 8.311 29.193 12.189 1.00 13.51 H new ATOM 0 HD3 ARG A 46 10.026 28.938 11.935 1.00 13.51 H new ATOM 0 HE ARG A 46 8.788 30.641 13.950 1.00 30.20 H new ATOM 0 HH11 ARG A 46 11.663 30.129 11.965 1.00 14.10 H new ATOM 0 HH12 ARG A 46 12.731 30.973 13.092 1.00 14.10 H new ATOM 0 HH21 ARG A 46 10.168 31.721 15.392 1.00 34.04 H new ATOM 0 HH22 ARG A 46 11.889 31.870 15.023 1.00 34.04 H new ATOM 780 N ILE A 47 11.779 30.908 6.701 1.00 23.11 N ATOM 781 CA ILE A 47 12.815 30.433 5.793 1.00 44.04 C ATOM 782 C ILE A 47 13.330 31.563 4.907 1.00 22.21 C ATOM 783 O ILE A 47 14.456 32.031 5.073 1.00 45.12 O ATOM 784 CB ILE A 47 12.300 29.290 4.899 1.00 73.32 C ATOM 785 CG1 ILE A 47 11.819 28.119 5.758 1.00 20.50 C ATOM 786 CG2 ILE A 47 13.388 28.837 3.937 1.00 24.34 C ATOM 787 CD1 ILE A 47 11.103 27.045 4.969 1.00 32.45 C ATOM 0 H ILE A 47 11.053 31.469 6.256 1.00 23.11 H new ATOM 0 HA ILE A 47 13.630 30.059 6.413 1.00 44.04 H new ATOM 0 HB ILE A 47 11.457 29.658 4.314 1.00 73.32 H new ATOM 0 HG12 ILE A 47 12.676 27.675 6.266 1.00 20.50 H new ATOM 0 HG13 ILE A 47 11.150 28.497 6.532 1.00 20.50 H new ATOM 0 HG21 ILE A 47 13.008 28.029 3.312 1.00 24.34 H new ATOM 0 HG22 ILE A 47 13.687 29.674 3.306 1.00 24.34 H new ATOM 0 HG23 ILE A 47 14.250 28.484 4.503 1.00 24.34 H new ATOM 0 HD11 ILE A 47 10.790 26.247 5.642 1.00 32.45 H new ATOM 0 HD12 ILE A 47 10.227 27.474 4.483 1.00 32.45 H new ATOM 0 HD13 ILE A 47 11.775 26.640 4.213 1.00 32.45 H new ATOM 799 N SER A 48 12.497 31.997 3.967 1.00 12.43 N ATOM 800 CA SER A 48 12.868 33.072 3.054 1.00 60.43 C ATOM 801 C SER A 48 11.831 34.190 3.081 1.00 40.33 C ATOM 802 O SER A 48 12.166 35.366 2.935 1.00 62.00 O ATOM 803 CB SER A 48 13.015 32.531 1.630 1.00 32.01 C ATOM 804 OG SER A 48 14.109 33.137 0.965 1.00 44.02 O ATOM 0 H SER A 48 11.561 31.621 3.817 1.00 12.43 H new ATOM 0 HA SER A 48 13.824 33.480 3.381 1.00 60.43 H new ATOM 0 HB2 SER A 48 13.157 31.451 1.661 1.00 32.01 H new ATOM 0 HB3 SER A 48 12.098 32.716 1.071 1.00 32.01 H new ATOM 0 HG SER A 48 14.293 32.655 0.131 1.00 44.02 H new ATOM 810 N ASP A 49 10.570 33.815 3.268 1.00 45.31 N ATOM 811 CA ASP A 49 9.483 34.786 3.315 1.00 21.22 C ATOM 812 C ASP A 49 9.250 35.408 1.942 1.00 1.31 C ATOM 813 O ASP A 49 9.441 36.610 1.752 1.00 21.24 O ATOM 814 CB ASP A 49 9.791 35.879 4.339 1.00 2.51 C ATOM 815 CG ASP A 49 8.548 36.629 4.777 1.00 5.22 C ATOM 816 OD1 ASP A 49 7.803 37.107 3.897 1.00 70.33 O ATOM 817 OD2 ASP A 49 8.322 36.739 6.001 1.00 52.14 O ATOM 0 H ASP A 49 10.276 32.846 3.389 1.00 45.31 H new ATOM 0 HA ASP A 49 8.575 34.264 3.616 1.00 21.22 H new ATOM 0 HB2 ASP A 49 10.268 35.432 5.211 1.00 2.51 H new ATOM 0 HB3 ASP A 49 10.505 36.583 3.911 1.00 2.51 H new ATOM 822 N LYS A 50 8.837 34.583 0.986 1.00 23.13 N ATOM 823 CA LYS A 50 8.578 35.051 -0.370 1.00 73.20 C ATOM 824 C LYS A 50 7.989 33.935 -1.227 1.00 62.14 C ATOM 825 O LYS A 50 8.278 33.837 -2.420 1.00 70.31 O ATOM 826 CB LYS A 50 9.868 35.572 -1.007 1.00 72.25 C ATOM 827 CG LYS A 50 10.878 34.480 -1.314 1.00 44.34 C ATOM 828 CD LYS A 50 12.195 34.720 -0.594 1.00 54.41 C ATOM 829 CE LYS A 50 12.840 36.026 -1.033 1.00 63.32 C ATOM 830 NZ LYS A 50 14.325 35.974 -0.925 1.00 14.34 N ATOM 0 H LYS A 50 8.674 33.586 1.126 1.00 23.13 H new ATOM 0 HA LYS A 50 7.854 35.864 -0.315 1.00 73.20 H new ATOM 0 HB2 LYS A 50 9.621 36.097 -1.930 1.00 72.25 H new ATOM 0 HB3 LYS A 50 10.325 36.301 -0.338 1.00 72.25 H new ATOM 0 HG2 LYS A 50 10.471 33.513 -1.018 1.00 44.34 H new ATOM 0 HG3 LYS A 50 11.053 34.436 -2.389 1.00 44.34 H new ATOM 0 HD2 LYS A 50 12.024 34.741 0.482 1.00 54.41 H new ATOM 0 HD3 LYS A 50 12.876 33.892 -0.792 1.00 54.41 H new ATOM 0 HE2 LYS A 50 12.558 36.242 -2.063 1.00 63.32 H new ATOM 0 HE3 LYS A 50 12.459 36.843 -0.420 1.00 63.32 H new ATOM 0 HZ1 LYS A 50 14.727 36.882 -1.233 1.00 14.34 H new ATOM 0 HZ2 LYS A 50 14.595 35.793 0.063 1.00 14.34 H new ATOM 0 HZ3 LYS A 50 14.691 35.211 -1.529 1.00 14.34 H new ATOM 844 N VAL A 51 7.161 33.096 -0.612 1.00 44.24 N ATOM 845 CA VAL A 51 6.530 31.989 -1.320 1.00 61.31 C ATOM 846 C VAL A 51 5.792 32.479 -2.561 1.00 64.30 C ATOM 847 O VAL A 51 5.911 31.895 -3.638 1.00 62.42 O ATOM 848 CB VAL A 51 5.541 31.234 -0.413 1.00 35.04 C ATOM 849 CG1 VAL A 51 4.538 32.198 0.203 1.00 41.31 C ATOM 850 CG2 VAL A 51 4.829 30.140 -1.194 1.00 64.15 C ATOM 0 H VAL A 51 6.912 33.162 0.375 1.00 44.24 H new ATOM 0 HA VAL A 51 7.328 31.310 -1.620 1.00 61.31 H new ATOM 0 HB VAL A 51 6.103 30.765 0.395 1.00 35.04 H new ATOM 0 HG11 VAL A 51 3.847 31.646 0.841 1.00 41.31 H new ATOM 0 HG12 VAL A 51 5.067 32.942 0.799 1.00 41.31 H new ATOM 0 HG13 VAL A 51 3.980 32.698 -0.589 1.00 41.31 H new ATOM 0 HG21 VAL A 51 4.134 29.617 -0.537 1.00 64.15 H new ATOM 0 HG22 VAL A 51 4.279 30.584 -2.024 1.00 64.15 H new ATOM 0 HG23 VAL A 51 5.563 29.433 -1.582 1.00 64.15 H new ATOM 860 N VAL A 52 5.030 33.556 -2.403 1.00 31.02 N ATOM 861 CA VAL A 52 4.273 34.127 -3.511 1.00 24.42 C ATOM 862 C VAL A 52 5.179 34.417 -4.703 1.00 32.05 C ATOM 863 O VAL A 52 4.770 34.279 -5.855 1.00 14.35 O ATOM 864 CB VAL A 52 3.560 35.426 -3.093 1.00 43.41 C ATOM 865 CG1 VAL A 52 2.940 36.108 -4.303 1.00 74.32 C ATOM 866 CG2 VAL A 52 2.507 35.139 -2.034 1.00 72.11 C ATOM 0 H VAL A 52 4.920 34.051 -1.518 1.00 31.02 H new ATOM 0 HA VAL A 52 3.525 33.388 -3.798 1.00 24.42 H new ATOM 0 HB VAL A 52 4.298 36.103 -2.663 1.00 43.41 H new ATOM 0 HG11 VAL A 52 2.441 37.024 -3.988 1.00 74.32 H new ATOM 0 HG12 VAL A 52 3.721 36.350 -5.024 1.00 74.32 H new ATOM 0 HG13 VAL A 52 2.214 35.439 -4.765 1.00 74.32 H new ATOM 0 HG21 VAL A 52 2.013 36.069 -1.751 1.00 72.11 H new ATOM 0 HG22 VAL A 52 1.769 34.443 -2.434 1.00 72.11 H new ATOM 0 HG23 VAL A 52 2.983 34.699 -1.158 1.00 72.11 H new ATOM 876 N GLY A 53 6.413 34.820 -4.417 1.00 23.22 N ATOM 877 CA GLY A 53 7.358 35.123 -5.476 1.00 4.15 C ATOM 878 C GLY A 53 7.831 33.881 -6.204 1.00 63.21 C ATOM 879 O GLY A 53 8.092 33.920 -7.407 1.00 0.31 O ATOM 0 H GLY A 53 6.775 34.942 -3.471 1.00 23.22 H new ATOM 0 HA2 GLY A 53 6.893 35.804 -6.189 1.00 4.15 H new ATOM 0 HA3 GLY A 53 8.218 35.642 -5.053 1.00 4.15 H new ATOM 883 N ILE A 54 7.944 32.776 -5.475 1.00 32.03 N ATOM 884 CA ILE A 54 8.389 31.517 -6.059 1.00 42.34 C ATOM 885 C ILE A 54 7.271 30.856 -6.858 1.00 31.33 C ATOM 886 O ILE A 54 7.521 30.186 -7.861 1.00 4.32 O ATOM 887 CB ILE A 54 8.882 30.537 -4.978 1.00 52.41 C ATOM 888 CG1 ILE A 54 10.049 31.148 -4.199 1.00 73.21 C ATOM 889 CG2 ILE A 54 9.293 29.215 -5.609 1.00 51.41 C ATOM 890 CD1 ILE A 54 10.077 30.747 -2.741 1.00 12.43 C ATOM 0 H ILE A 54 7.733 32.727 -4.478 1.00 32.03 H new ATOM 0 HA ILE A 54 9.218 31.755 -6.726 1.00 42.34 H new ATOM 0 HB ILE A 54 8.065 30.346 -4.282 1.00 52.41 H new ATOM 0 HG12 ILE A 54 10.986 30.847 -4.668 1.00 73.21 H new ATOM 0 HG13 ILE A 54 9.992 32.234 -4.268 1.00 73.21 H new ATOM 0 HG21 ILE A 54 9.639 28.533 -4.832 1.00 51.41 H new ATOM 0 HG22 ILE A 54 8.438 28.776 -6.123 1.00 51.41 H new ATOM 0 HG23 ILE A 54 10.097 29.388 -6.325 1.00 51.41 H new ATOM 0 HD11 ILE A 54 10.930 31.216 -2.251 1.00 12.43 H new ATOM 0 HD12 ILE A 54 9.156 31.072 -2.257 1.00 12.43 H new ATOM 0 HD13 ILE A 54 10.165 29.663 -2.663 1.00 12.43 H new ATOM 902 N LEU A 55 6.036 31.049 -6.407 1.00 62.33 N ATOM 903 CA LEU A 55 4.877 30.472 -7.081 1.00 4.45 C ATOM 904 C LEU A 55 4.891 30.806 -8.569 1.00 13.11 C ATOM 905 O LEU A 55 4.447 30.011 -9.397 1.00 13.40 O ATOM 906 CB LEU A 55 3.585 30.985 -6.443 1.00 1.32 C ATOM 907 CG LEU A 55 3.306 30.510 -5.016 1.00 41.43 C ATOM 908 CD1 LEU A 55 2.151 31.292 -4.410 1.00 30.11 C ATOM 909 CD2 LEU A 55 3.010 29.018 -4.999 1.00 71.15 C ATOM 0 H LEU A 55 5.811 31.600 -5.578 1.00 62.33 H new ATOM 0 HA LEU A 55 4.924 29.389 -6.971 1.00 4.45 H new ATOM 0 HB2 LEU A 55 3.611 32.075 -6.443 1.00 1.32 H new ATOM 0 HB3 LEU A 55 2.748 30.686 -7.074 1.00 1.32 H new ATOM 0 HG LEU A 55 4.196 30.690 -4.413 1.00 41.43 H new ATOM 0 HD11 LEU A 55 1.967 30.941 -3.395 1.00 30.11 H new ATOM 0 HD12 LEU A 55 2.402 32.352 -4.387 1.00 30.11 H new ATOM 0 HD13 LEU A 55 1.255 31.144 -5.013 1.00 30.11 H new ATOM 0 HD21 LEU A 55 2.814 28.698 -3.976 1.00 71.15 H new ATOM 0 HD22 LEU A 55 2.136 28.813 -5.617 1.00 71.15 H new ATOM 0 HD23 LEU A 55 3.868 28.472 -5.392 1.00 71.15 H new ATOM 921 N MET A 56 5.405 31.986 -8.901 1.00 32.20 N ATOM 922 CA MET A 56 5.479 32.423 -10.290 1.00 61.33 C ATOM 923 C MET A 56 6.332 31.465 -11.117 1.00 11.15 C ATOM 924 O MET A 56 6.039 31.209 -12.284 1.00 61.35 O ATOM 925 CB MET A 56 6.056 33.838 -10.372 1.00 75.52 C ATOM 926 CG MET A 56 5.278 34.859 -9.558 1.00 21.55 C ATOM 927 SD MET A 56 4.926 36.364 -10.485 1.00 1.43 S ATOM 928 CE MET A 56 3.744 37.161 -9.400 1.00 51.14 C ATOM 0 H MET A 56 5.776 32.656 -8.227 1.00 32.20 H new ATOM 0 HA MET A 56 4.468 32.426 -10.698 1.00 61.33 H new ATOM 0 HB2 MET A 56 7.089 33.821 -10.026 1.00 75.52 H new ATOM 0 HB3 MET A 56 6.074 34.154 -11.415 1.00 75.52 H new ATOM 0 HG2 MET A 56 4.340 34.414 -9.225 1.00 21.55 H new ATOM 0 HG3 MET A 56 5.846 35.113 -8.663 1.00 21.55 H new ATOM 0 HE1 MET A 56 3.430 38.109 -9.837 1.00 51.14 H new ATOM 0 HE2 MET A 56 2.875 36.515 -9.271 1.00 51.14 H new ATOM 0 HE3 MET A 56 4.207 37.345 -8.430 1.00 51.14 H new ATOM 938 N ARG A 57 7.387 30.940 -10.503 1.00 23.11 N ATOM 939 CA ARG A 57 8.283 30.012 -11.183 1.00 31.02 C ATOM 940 C ARG A 57 7.573 28.696 -11.487 1.00 62.04 C ATOM 941 O ARG A 57 7.616 28.203 -12.614 1.00 20.51 O ATOM 942 CB ARG A 57 9.524 29.749 -10.328 1.00 32.53 C ATOM 943 CG ARG A 57 10.400 28.625 -10.856 1.00 62.31 C ATOM 944 CD ARG A 57 11.575 28.352 -9.930 1.00 31.22 C ATOM 945 NE ARG A 57 12.750 27.885 -10.660 1.00 24.43 N ATOM 946 CZ ARG A 57 13.484 28.663 -11.447 1.00 1.30 C ATOM 947 NH1 ARG A 57 13.165 29.941 -11.605 1.00 61.50 N ATOM 948 NH2 ARG A 57 14.540 28.165 -12.078 1.00 33.12 N ATOM 0 H ARG A 57 7.642 31.141 -9.536 1.00 23.11 H new ATOM 0 HA ARG A 57 8.589 30.466 -12.125 1.00 31.02 H new ATOM 0 HB2 ARG A 57 10.115 30.663 -10.270 1.00 32.53 H new ATOM 0 HB3 ARG A 57 9.211 29.508 -9.312 1.00 32.53 H new ATOM 0 HG2 ARG A 57 9.804 27.719 -10.966 1.00 62.31 H new ATOM 0 HG3 ARG A 57 10.770 28.886 -11.848 1.00 62.31 H new ATOM 0 HD2 ARG A 57 11.825 29.262 -9.384 1.00 31.22 H new ATOM 0 HD3 ARG A 57 11.287 27.605 -9.190 1.00 31.22 H new ATOM 0 HE ARG A 57 13.022 26.907 -10.560 1.00 24.43 H new ATOM 0 HH11 ARG A 57 12.355 30.328 -11.121 1.00 61.50 H new ATOM 0 HH12 ARG A 57 13.730 30.537 -12.210 1.00 61.50 H new ATOM 0 HH21 ARG A 57 14.789 27.183 -11.959 1.00 33.12 H new ATOM 0 HH22 ARG A 57 15.103 28.764 -12.682 1.00 33.12 H new ATOM 962 N ALA A 58 6.922 28.133 -10.475 1.00 75.01 N ATOM 963 CA ALA A 58 6.202 26.876 -10.635 1.00 34.31 C ATOM 964 C ALA A 58 5.030 27.032 -11.599 1.00 5.31 C ATOM 965 O ALA A 58 4.649 26.085 -12.286 1.00 61.23 O ATOM 966 CB ALA A 58 5.713 26.372 -9.285 1.00 12.11 C ATOM 0 H ALA A 58 6.878 28.528 -9.535 1.00 75.01 H new ATOM 0 HA ALA A 58 6.890 26.144 -11.057 1.00 34.31 H new ATOM 0 HB1 ALA A 58 5.177 25.433 -9.420 1.00 12.11 H new ATOM 0 HB2 ALA A 58 6.566 26.212 -8.626 1.00 12.11 H new ATOM 0 HB3 ALA A 58 5.045 27.110 -8.841 1.00 12.11 H new ATOM 972 N ARG A 59 4.464 28.233 -11.644 1.00 15.53 N ATOM 973 CA ARG A 59 3.334 28.513 -12.522 1.00 62.03 C ATOM 974 C ARG A 59 3.744 28.397 -13.988 1.00 13.03 C ATOM 975 O ARG A 59 2.921 28.092 -14.851 1.00 62.44 O ATOM 976 CB ARG A 59 2.780 29.912 -12.246 1.00 35.41 C ATOM 977 CG ARG A 59 1.386 30.136 -12.809 1.00 53.30 C ATOM 978 CD ARG A 59 1.021 31.613 -12.822 1.00 65.40 C ATOM 979 NE ARG A 59 1.007 32.161 -14.176 1.00 22.05 N ATOM 980 CZ ARG A 59 -0.009 32.012 -15.018 1.00 42.01 C ATOM 981 NH1 ARG A 59 -1.087 31.336 -14.648 1.00 75.42 N ATOM 982 NH2 ARG A 59 0.053 32.541 -16.234 1.00 33.34 N ATOM 0 H ARG A 59 4.769 29.028 -11.083 1.00 15.53 H new ATOM 0 HA ARG A 59 2.557 27.776 -12.319 1.00 62.03 H new ATOM 0 HB2 ARG A 59 2.759 30.080 -11.169 1.00 35.41 H new ATOM 0 HB3 ARG A 59 3.458 30.652 -12.671 1.00 35.41 H new ATOM 0 HG2 ARG A 59 1.333 29.738 -13.822 1.00 53.30 H new ATOM 0 HG3 ARG A 59 0.659 29.586 -12.212 1.00 53.30 H new ATOM 0 HD2 ARG A 59 0.040 31.748 -12.366 1.00 65.40 H new ATOM 0 HD3 ARG A 59 1.735 32.168 -12.213 1.00 65.40 H new ATOM 0 HE ARG A 59 1.822 32.687 -14.492 1.00 22.05 H new ATOM 0 HH11 ARG A 59 -1.138 30.929 -13.714 1.00 75.42 H new ATOM 0 HH12 ARG A 59 -1.866 31.223 -15.297 1.00 75.42 H new ATOM 0 HH21 ARG A 59 0.881 33.062 -16.522 1.00 33.34 H new ATOM 0 HH22 ARG A 59 -0.728 32.426 -16.880 1.00 33.34 H new ATOM 996 N LYS A 60 5.020 28.643 -14.261 1.00 45.40 N ATOM 997 CA LYS A 60 5.541 28.566 -15.621 1.00 11.31 C ATOM 998 C LYS A 60 5.175 27.235 -16.269 1.00 54.11 C ATOM 999 O LYS A 60 4.947 27.163 -17.477 1.00 44.13 O ATOM 1000 CB LYS A 60 7.061 28.743 -15.618 1.00 21.01 C ATOM 1001 CG LYS A 60 7.521 30.042 -14.979 1.00 22.10 C ATOM 1002 CD LYS A 60 7.818 31.103 -16.025 1.00 40.30 C ATOM 1003 CE LYS A 60 7.368 32.481 -15.564 1.00 50.22 C ATOM 1004 NZ LYS A 60 6.716 33.248 -16.662 1.00 65.21 N ATOM 0 H LYS A 60 5.714 28.898 -13.558 1.00 45.40 H new ATOM 0 HA LYS A 60 5.089 29.370 -16.202 1.00 11.31 H new ATOM 0 HB2 LYS A 60 7.515 27.906 -15.087 1.00 21.01 H new ATOM 0 HB3 LYS A 60 7.425 28.704 -16.645 1.00 21.01 H new ATOM 0 HG2 LYS A 60 6.752 30.406 -14.298 1.00 22.10 H new ATOM 0 HG3 LYS A 60 8.414 29.858 -14.382 1.00 22.10 H new ATOM 0 HD2 LYS A 60 8.888 31.120 -16.235 1.00 40.30 H new ATOM 0 HD3 LYS A 60 7.314 30.848 -16.957 1.00 40.30 H new ATOM 0 HE2 LYS A 60 6.672 32.376 -14.731 1.00 50.22 H new ATOM 0 HE3 LYS A 60 8.228 33.038 -15.193 1.00 50.22 H new ATOM 0 HZ1 LYS A 60 6.424 34.181 -16.308 1.00 65.21 H new ATOM 0 HZ2 LYS A 60 7.388 33.370 -17.446 1.00 65.21 H new ATOM 0 HZ3 LYS A 60 5.881 32.729 -17.000 1.00 65.21 H new ATOM 1018 N HIS A 61 5.117 26.183 -15.458 1.00 44.14 N ATOM 1019 CA HIS A 61 4.776 24.854 -15.953 1.00 41.24 C ATOM 1020 C HIS A 61 3.444 24.385 -15.376 1.00 52.15 C ATOM 1021 O HIS A 61 3.243 23.195 -15.140 1.00 23.33 O ATOM 1022 CB HIS A 61 5.879 23.856 -15.598 1.00 54.04 C ATOM 1023 CG HIS A 61 7.171 24.114 -16.309 1.00 64.33 C ATOM 1024 ND1 HIS A 61 8.180 24.889 -15.779 1.00 5.43 N ATOM 1025 CD2 HIS A 61 7.618 23.692 -17.515 1.00 71.15 C ATOM 1026 CE1 HIS A 61 9.191 24.935 -16.628 1.00 51.05 C ATOM 1027 NE2 HIS A 61 8.875 24.216 -17.690 1.00 50.05 N ATOM 0 H HIS A 61 5.302 26.225 -14.456 1.00 44.14 H new ATOM 0 HA HIS A 61 4.682 24.910 -17.038 1.00 41.24 H new ATOM 0 HB2 HIS A 61 6.053 23.887 -14.522 1.00 54.04 H new ATOM 0 HB3 HIS A 61 5.537 22.849 -15.837 1.00 54.04 H new ATOM 0 HD2 HIS A 61 7.085 23.061 -18.210 1.00 71.15 H new ATOM 0 HE1 HIS A 61 10.118 25.469 -16.479 1.00 51.05 H new ATOM 0 HE2 HIS A 61 9.468 24.073 -18.507 1.00 50.05 H new ATOM 1035 N GLY A 62 2.536 25.330 -15.152 1.00 11.33 N ATOM 1036 CA GLY A 62 1.235 24.994 -14.603 1.00 60.15 C ATOM 1037 C GLY A 62 1.335 24.152 -13.347 1.00 65.11 C ATOM 1038 O GLY A 62 0.954 22.981 -13.343 1.00 70.34 O ATOM 0 H GLY A 62 2.678 26.322 -15.341 1.00 11.33 H new ATOM 0 HA2 GLY A 62 0.691 25.911 -14.379 1.00 60.15 H new ATOM 0 HA3 GLY A 62 0.656 24.455 -15.353 1.00 60.15 H new ATOM 1042 N LEU A 63 1.851 24.747 -12.278 1.00 4.34 N ATOM 1043 CA LEU A 63 2.003 24.044 -11.009 1.00 32.24 C ATOM 1044 C LEU A 63 1.097 24.648 -9.940 1.00 24.52 C ATOM 1045 O LEU A 63 0.713 23.974 -8.984 1.00 24.05 O ATOM 1046 CB LEU A 63 3.460 24.093 -10.546 1.00 41.31 C ATOM 1047 CG LEU A 63 3.792 23.293 -9.286 1.00 61.34 C ATOM 1048 CD1 LEU A 63 3.423 24.082 -8.040 1.00 33.42 C ATOM 1049 CD2 LEU A 63 3.075 21.951 -9.303 1.00 34.22 C ATOM 0 H LEU A 63 2.172 25.715 -12.264 1.00 4.34 H new ATOM 0 HA LEU A 63 1.712 23.005 -11.161 1.00 32.24 H new ATOM 0 HB2 LEU A 63 4.091 23.731 -11.358 1.00 41.31 H new ATOM 0 HB3 LEU A 63 3.730 25.135 -10.372 1.00 41.31 H new ATOM 0 HG LEU A 63 4.866 23.108 -9.268 1.00 61.34 H new ATOM 0 HD11 LEU A 63 3.666 23.497 -7.153 1.00 33.42 H new ATOM 0 HD12 LEU A 63 3.983 25.017 -8.022 1.00 33.42 H new ATOM 0 HD13 LEU A 63 2.355 24.299 -8.050 1.00 33.42 H new ATOM 0 HD21 LEU A 63 3.323 21.395 -8.399 1.00 34.22 H new ATOM 0 HD22 LEU A 63 1.998 22.114 -9.345 1.00 34.22 H new ATOM 0 HD23 LEU A 63 3.390 21.381 -10.177 1.00 34.22 H new ATOM 1061 N VAL A 64 0.758 25.921 -10.110 1.00 12.52 N ATOM 1062 CA VAL A 64 -0.105 26.616 -9.162 1.00 35.42 C ATOM 1063 C VAL A 64 -1.432 27.002 -9.807 1.00 63.40 C ATOM 1064 O VAL A 64 -1.461 27.697 -10.823 1.00 12.43 O ATOM 1065 CB VAL A 64 0.572 27.884 -8.610 1.00 25.44 C ATOM 1066 CG1 VAL A 64 1.772 27.516 -7.750 1.00 4.41 C ATOM 1067 CG2 VAL A 64 0.984 28.806 -9.747 1.00 74.14 C ATOM 0 H VAL A 64 1.068 26.493 -10.896 1.00 12.52 H new ATOM 0 HA VAL A 64 -0.291 25.925 -8.339 1.00 35.42 H new ATOM 0 HB VAL A 64 -0.145 28.415 -7.984 1.00 25.44 H new ATOM 0 HG11 VAL A 64 2.238 28.424 -7.368 1.00 4.41 H new ATOM 0 HG12 VAL A 64 1.445 26.897 -6.914 1.00 4.41 H new ATOM 0 HG13 VAL A 64 2.494 26.962 -8.350 1.00 4.41 H new ATOM 0 HG21 VAL A 64 1.461 29.697 -9.338 1.00 74.14 H new ATOM 0 HG22 VAL A 64 1.685 28.287 -10.401 1.00 74.14 H new ATOM 0 HG23 VAL A 64 0.102 29.096 -10.318 1.00 74.14 H new ATOM 1077 N HIS A 65 -2.529 26.546 -9.210 1.00 63.34 N ATOM 1078 CA HIS A 65 -3.860 26.844 -9.726 1.00 42.34 C ATOM 1079 C HIS A 65 -4.426 28.102 -9.074 1.00 20.11 C ATOM 1080 O HIS A 65 -5.618 28.388 -9.185 1.00 52.53 O ATOM 1081 CB HIS A 65 -4.800 25.663 -9.485 1.00 52.03 C ATOM 1082 CG HIS A 65 -5.699 25.367 -10.646 1.00 32.51 C ATOM 1083 ND1 HIS A 65 -6.987 24.895 -10.499 1.00 64.23 N ATOM 1084 CD2 HIS A 65 -5.491 25.479 -11.979 1.00 22.14 C ATOM 1085 CE1 HIS A 65 -7.531 24.728 -11.692 1.00 5.14 C ATOM 1086 NE2 HIS A 65 -6.644 25.076 -12.606 1.00 44.05 N ATOM 0 H HIS A 65 -2.522 25.969 -8.369 1.00 63.34 H new ATOM 0 HA HIS A 65 -3.776 27.018 -10.799 1.00 42.34 H new ATOM 0 HB2 HIS A 65 -4.207 24.777 -9.260 1.00 52.03 H new ATOM 0 HB3 HIS A 65 -5.411 25.869 -8.606 1.00 52.03 H new ATOM 0 HD2 HIS A 65 -4.587 25.822 -12.460 1.00 22.14 H new ATOM 0 HE1 HIS A 65 -8.531 24.368 -11.886 1.00 5.14 H new ATOM 0 HE2 HIS A 65 -6.792 25.050 -13.615 1.00 44.05 H new ATOM 1094 N PHE A 66 -3.563 28.848 -8.392 1.00 55.53 N ATOM 1095 CA PHE A 66 -3.978 30.074 -7.720 1.00 41.52 C ATOM 1096 C PHE A 66 -4.430 31.123 -8.732 1.00 54.11 C ATOM 1097 O PHE A 66 -4.107 31.038 -9.916 1.00 64.41 O ATOM 1098 CB PHE A 66 -2.831 30.629 -6.872 1.00 74.02 C ATOM 1099 CG PHE A 66 -1.851 31.454 -7.656 1.00 23.32 C ATOM 1100 CD1 PHE A 66 -1.255 30.945 -8.799 1.00 2.14 C ATOM 1101 CD2 PHE A 66 -1.524 32.738 -7.249 1.00 74.53 C ATOM 1102 CE1 PHE A 66 -0.352 31.702 -9.522 1.00 72.42 C ATOM 1103 CE2 PHE A 66 -0.623 33.499 -7.969 1.00 61.30 C ATOM 1104 CZ PHE A 66 -0.035 32.980 -9.106 1.00 72.32 C ATOM 0 H PHE A 66 -2.573 28.625 -8.290 1.00 55.53 H new ATOM 0 HA PHE A 66 -4.820 29.835 -7.070 1.00 41.52 H new ATOM 0 HB2 PHE A 66 -3.245 31.238 -6.068 1.00 74.02 H new ATOM 0 HB3 PHE A 66 -2.302 29.799 -6.403 1.00 74.02 H new ATOM 0 HD1 PHE A 66 -1.499 29.946 -9.129 1.00 2.14 H new ATOM 0 HD2 PHE A 66 -1.978 33.148 -6.359 1.00 74.53 H new ATOM 0 HE1 PHE A 66 0.105 31.294 -10.411 1.00 72.42 H new ATOM 0 HE2 PHE A 66 -0.379 34.499 -7.643 1.00 61.30 H new ATOM 0 HZ PHE A 66 0.671 33.573 -9.669 1.00 72.32 H new ATOM 1114 N GLU A 67 -5.181 32.111 -8.256 1.00 13.33 N ATOM 1115 CA GLU A 67 -5.680 33.176 -9.119 1.00 65.41 C ATOM 1116 C GLU A 67 -4.526 33.947 -9.754 1.00 25.54 C ATOM 1117 O GLU A 67 -3.361 33.582 -9.598 1.00 20.31 O ATOM 1118 CB GLU A 67 -6.570 34.132 -8.324 1.00 54.51 C ATOM 1119 CG GLU A 67 -5.876 34.756 -7.125 1.00 32.22 C ATOM 1120 CD GLU A 67 -6.452 36.109 -6.756 1.00 1.22 C ATOM 1121 OE1 GLU A 67 -7.687 36.207 -6.600 1.00 21.31 O ATOM 1122 OE2 GLU A 67 -5.666 37.071 -6.623 1.00 34.03 O ATOM 0 H GLU A 67 -5.457 32.196 -7.278 1.00 13.33 H new ATOM 0 HA GLU A 67 -6.270 32.719 -9.914 1.00 65.41 H new ATOM 0 HB2 GLU A 67 -6.918 34.926 -8.985 1.00 54.51 H new ATOM 0 HB3 GLU A 67 -7.453 33.593 -7.982 1.00 54.51 H new ATOM 0 HG2 GLU A 67 -5.961 34.084 -6.271 1.00 32.22 H new ATOM 0 HG3 GLU A 67 -4.813 34.865 -7.341 1.00 32.22 H new ATOM 1129 N GLY A 68 -4.859 35.015 -10.471 1.00 2.53 N ATOM 1130 CA GLY A 68 -3.840 35.821 -11.119 1.00 35.01 C ATOM 1131 C GLY A 68 -4.023 37.304 -10.861 1.00 62.51 C ATOM 1132 O GLY A 68 -4.303 38.070 -11.782 1.00 74.31 O ATOM 0 H GLY A 68 -5.816 35.337 -10.615 1.00 2.53 H new ATOM 0 HA2 GLY A 68 -2.857 35.512 -10.764 1.00 35.01 H new ATOM 0 HA3 GLY A 68 -3.864 35.637 -12.193 1.00 35.01 H new ATOM 1136 N GLU A 69 -3.864 37.708 -9.605 1.00 15.13 N ATOM 1137 CA GLU A 69 -4.016 39.109 -9.229 1.00 72.11 C ATOM 1138 C GLU A 69 -3.161 39.441 -8.010 1.00 22.02 C ATOM 1139 O GLU A 69 -3.526 40.287 -7.195 1.00 2.45 O ATOM 1140 CB GLU A 69 -5.484 39.425 -8.937 1.00 55.41 C ATOM 1141 CG GLU A 69 -6.414 39.133 -10.103 1.00 43.12 C ATOM 1142 CD GLU A 69 -7.840 39.575 -9.838 1.00 21.44 C ATOM 1143 OE1 GLU A 69 -8.614 38.771 -9.277 1.00 74.23 O ATOM 1144 OE2 GLU A 69 -8.182 40.723 -10.190 1.00 25.30 O ATOM 0 H GLU A 69 -3.630 37.086 -8.831 1.00 15.13 H new ATOM 0 HA GLU A 69 -3.679 39.722 -10.065 1.00 72.11 H new ATOM 0 HB2 GLU A 69 -5.806 38.845 -8.072 1.00 55.41 H new ATOM 0 HB3 GLU A 69 -5.573 40.477 -8.667 1.00 55.41 H new ATOM 0 HG2 GLU A 69 -6.041 39.637 -10.995 1.00 43.12 H new ATOM 0 HG3 GLU A 69 -6.402 38.063 -10.313 1.00 43.12 H new ATOM 1151 N MET A 70 -2.021 38.767 -7.893 1.00 11.33 N ATOM 1152 CA MET A 70 -1.113 38.991 -6.774 1.00 12.13 C ATOM 1153 C MET A 70 -1.752 38.553 -5.459 1.00 43.15 C ATOM 1154 O MET A 70 -2.967 38.649 -5.286 1.00 14.42 O ATOM 1155 CB MET A 70 -0.720 40.467 -6.696 1.00 4.41 C ATOM 1156 CG MET A 70 -0.498 41.110 -8.056 1.00 32.24 C ATOM 1157 SD MET A 70 0.273 42.735 -7.938 1.00 44.35 S ATOM 1158 CE MET A 70 -0.963 43.755 -8.738 1.00 41.32 C ATOM 0 H MET A 70 -1.705 38.062 -8.559 1.00 11.33 H new ATOM 0 HA MET A 70 -0.217 38.392 -6.940 1.00 12.13 H new ATOM 0 HB2 MET A 70 -1.500 41.015 -6.167 1.00 4.41 H new ATOM 0 HB3 MET A 70 0.191 40.561 -6.106 1.00 4.41 H new ATOM 0 HG2 MET A 70 0.129 40.458 -8.664 1.00 32.24 H new ATOM 0 HG3 MET A 70 -1.455 41.202 -8.570 1.00 32.24 H new ATOM 0 HE1 MET A 70 -0.630 44.793 -8.744 1.00 41.32 H new ATOM 0 HE2 MET A 70 -1.107 43.415 -9.763 1.00 41.32 H new ATOM 0 HE3 MET A 70 -1.905 43.679 -8.194 1.00 41.32 H new ATOM 1168 N LEU A 71 -0.926 38.072 -4.537 1.00 63.42 N ATOM 1169 CA LEU A 71 -1.410 37.618 -3.238 1.00 12.30 C ATOM 1170 C LEU A 71 -0.920 38.537 -2.123 1.00 61.23 C ATOM 1171 O LEU A 71 0.283 38.726 -1.946 1.00 44.53 O ATOM 1172 CB LEU A 71 -0.950 36.184 -2.972 1.00 63.00 C ATOM 1173 CG LEU A 71 -1.391 35.137 -3.995 1.00 32.30 C ATOM 1174 CD1 LEU A 71 -0.182 34.499 -4.661 1.00 73.35 C ATOM 1175 CD2 LEU A 71 -2.259 34.077 -3.332 1.00 63.53 C ATOM 0 H LEU A 71 0.082 37.986 -4.665 1.00 63.42 H new ATOM 0 HA LEU A 71 -2.500 37.646 -3.254 1.00 12.30 H new ATOM 0 HB2 LEU A 71 0.139 36.177 -2.921 1.00 63.00 H new ATOM 0 HB3 LEU A 71 -1.317 35.882 -1.991 1.00 63.00 H new ATOM 0 HG LEU A 71 -1.983 35.634 -4.764 1.00 32.30 H new ATOM 0 HD11 LEU A 71 -0.516 33.756 -5.386 1.00 73.35 H new ATOM 0 HD12 LEU A 71 0.400 35.267 -5.170 1.00 73.35 H new ATOM 0 HD13 LEU A 71 0.437 34.016 -3.905 1.00 73.35 H new ATOM 0 HD21 LEU A 71 -2.564 33.340 -4.075 1.00 63.53 H new ATOM 0 HD22 LEU A 71 -1.692 33.584 -2.543 1.00 63.53 H new ATOM 0 HD23 LEU A 71 -3.144 34.547 -2.903 1.00 63.53 H new ATOM 1187 N TRP A 72 -1.859 39.102 -1.374 1.00 13.20 N ATOM 1188 CA TRP A 72 -1.523 39.999 -0.274 1.00 45.34 C ATOM 1189 C TRP A 72 -1.938 39.400 1.064 1.00 32.43 C ATOM 1190 O TRP A 72 -3.090 39.006 1.246 1.00 23.33 O ATOM 1191 CB TRP A 72 -2.199 41.357 -0.471 1.00 71.12 C ATOM 1192 CG TRP A 72 -1.820 42.029 -1.756 1.00 23.00 C ATOM 1193 CD1 TRP A 72 -2.666 42.447 -2.743 1.00 43.02 C ATOM 1194 CD2 TRP A 72 -0.497 42.358 -2.193 1.00 4.44 C ATOM 1195 NE1 TRP A 72 -1.948 43.016 -3.767 1.00 51.54 N ATOM 1196 CE2 TRP A 72 -0.615 42.975 -3.453 1.00 55.25 C ATOM 1197 CE3 TRP A 72 0.777 42.194 -1.641 1.00 14.55 C ATOM 1198 CZ2 TRP A 72 0.491 43.426 -4.169 1.00 31.43 C ATOM 1199 CZ3 TRP A 72 1.874 42.642 -2.352 1.00 33.32 C ATOM 1200 CH2 TRP A 72 1.725 43.252 -3.604 1.00 44.04 C ATOM 0 H TRP A 72 -2.859 38.955 -1.508 1.00 13.20 H new ATOM 0 HA TRP A 72 -0.442 40.137 -0.269 1.00 45.34 H new ATOM 0 HB2 TRP A 72 -3.280 41.224 -0.444 1.00 71.12 H new ATOM 0 HB3 TRP A 72 -1.938 42.009 0.362 1.00 71.12 H new ATOM 0 HD1 TRP A 72 -3.741 42.345 -2.722 1.00 43.02 H new ATOM 0 HE1 TRP A 72 -2.343 43.406 -4.623 1.00 51.54 H new ATOM 0 HE3 TRP A 72 0.902 41.725 -0.676 1.00 14.55 H new ATOM 0 HZ2 TRP A 72 0.379 43.896 -5.135 1.00 31.43 H new ATOM 0 HZ3 TRP A 72 2.863 42.520 -1.935 1.00 33.32 H new ATOM 0 HH2 TRP A 72 2.602 43.592 -4.134 1.00 44.04 H new ATOM 1211 N GLN A 73 -0.994 39.334 1.997 1.00 22.03 N ATOM 1212 CA GLN A 73 -1.264 38.781 3.319 1.00 1.33 C ATOM 1213 C GLN A 73 -2.481 39.449 3.950 1.00 1.54 C ATOM 1214 O GLN A 73 -2.528 40.671 4.091 1.00 23.34 O ATOM 1215 CB GLN A 73 -0.044 38.954 4.226 1.00 15.55 C ATOM 1216 CG GLN A 73 -0.121 38.144 5.510 1.00 32.22 C ATOM 1217 CD GLN A 73 -0.751 38.917 6.652 1.00 41.10 C ATOM 1218 OE1 GLN A 73 -1.962 38.855 6.866 1.00 61.23 O ATOM 1219 NE2 GLN A 73 0.070 39.652 7.393 1.00 31.24 N ATOM 0 H GLN A 73 -0.036 39.656 1.862 1.00 22.03 H new ATOM 0 HA GLN A 73 -1.475 37.718 3.205 1.00 1.33 H new ATOM 0 HB2 GLN A 73 0.851 38.664 3.676 1.00 15.55 H new ATOM 0 HB3 GLN A 73 0.065 40.009 4.478 1.00 15.55 H new ATOM 0 HG2 GLN A 73 -0.698 37.237 5.329 1.00 32.22 H new ATOM 0 HG3 GLN A 73 0.883 37.831 5.798 1.00 32.22 H new ATOM 0 HE21 GLN A 73 1.067 39.674 7.180 1.00 31.24 H new ATOM 0 HE22 GLN A 73 -0.297 40.194 8.175 1.00 31.24 H new ATOM 1228 N GLY A 74 -3.465 38.639 4.329 1.00 53.44 N ATOM 1229 CA GLY A 74 -4.670 39.171 4.940 1.00 64.53 C ATOM 1230 C GLY A 74 -5.756 39.460 3.923 1.00 11.53 C ATOM 1231 O GLY A 74 -6.876 39.820 4.286 1.00 75.11 O ATOM 0 H GLY A 74 -3.450 37.625 4.224 1.00 53.44 H new ATOM 0 HA2 GLY A 74 -5.045 38.460 5.676 1.00 64.53 H new ATOM 0 HA3 GLY A 74 -4.427 40.087 5.478 1.00 64.53 H new ATOM 1235 N LYS A 75 -5.425 39.306 2.646 1.00 75.12 N ATOM 1236 CA LYS A 75 -6.381 39.554 1.572 1.00 24.43 C ATOM 1237 C LYS A 75 -6.562 38.310 0.707 1.00 4.44 C ATOM 1238 O LYS A 75 -7.680 37.831 0.519 1.00 21.03 O ATOM 1239 CB LYS A 75 -5.914 40.726 0.707 1.00 43.30 C ATOM 1240 CG LYS A 75 -5.712 42.014 1.486 1.00 44.50 C ATOM 1241 CD LYS A 75 -6.942 42.904 1.422 1.00 61.14 C ATOM 1242 CE LYS A 75 -7.976 42.501 2.461 1.00 31.25 C ATOM 1243 NZ LYS A 75 -9.105 43.470 2.526 1.00 3.21 N ATOM 0 H LYS A 75 -4.502 39.011 2.329 1.00 75.12 H new ATOM 0 HA LYS A 75 -7.341 39.804 2.024 1.00 24.43 H new ATOM 0 HB2 LYS A 75 -4.978 40.456 0.219 1.00 43.30 H new ATOM 0 HB3 LYS A 75 -6.646 40.899 -0.082 1.00 43.30 H new ATOM 0 HG2 LYS A 75 -5.485 41.779 2.526 1.00 44.50 H new ATOM 0 HG3 LYS A 75 -4.852 42.551 1.086 1.00 44.50 H new ATOM 0 HD2 LYS A 75 -6.650 43.942 1.581 1.00 61.14 H new ATOM 0 HD3 LYS A 75 -7.383 42.846 0.427 1.00 61.14 H new ATOM 0 HE2 LYS A 75 -8.362 41.510 2.224 1.00 31.25 H new ATOM 0 HE3 LYS A 75 -7.500 42.432 3.439 1.00 31.25 H new ATOM 0 HZ1 LYS A 75 -9.788 43.159 3.246 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 -8.741 44.411 2.777 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 -9.576 43.517 1.600 1.00 3.21 H new ATOM 1257 N ASP A 76 -5.455 37.793 0.185 1.00 74.40 N ATOM 1258 CA ASP A 76 -5.492 36.603 -0.658 1.00 10.10 C ATOM 1259 C ASP A 76 -5.210 35.348 0.161 1.00 24.42 C ATOM 1260 O ASP A 76 -4.937 34.282 -0.392 1.00 2.03 O ATOM 1261 CB ASP A 76 -4.475 36.725 -1.794 1.00 12.51 C ATOM 1262 CG ASP A 76 -4.957 37.636 -2.906 1.00 63.35 C ATOM 1263 OD1 ASP A 76 -5.646 37.140 -3.822 1.00 54.24 O ATOM 1264 OD2 ASP A 76 -4.645 38.844 -2.861 1.00 23.11 O ATOM 0 H ASP A 76 -4.522 38.179 0.330 1.00 74.40 H new ATOM 0 HA ASP A 76 -6.492 36.520 -1.083 1.00 10.10 H new ATOM 0 HB2 ASP A 76 -3.535 37.107 -1.397 1.00 12.51 H new ATOM 0 HB3 ASP A 76 -4.270 35.735 -2.202 1.00 12.51 H new ATOM 1269 N ASP A 77 -5.276 35.482 1.481 1.00 22.52 N ATOM 1270 CA ASP A 77 -5.027 34.358 2.377 1.00 12.01 C ATOM 1271 C ASP A 77 -5.972 33.200 2.072 1.00 53.11 C ATOM 1272 O ASP A 77 -5.655 32.040 2.335 1.00 23.21 O ATOM 1273 CB ASP A 77 -5.189 34.794 3.834 1.00 12.41 C ATOM 1274 CG ASP A 77 -6.642 34.984 4.224 1.00 71.44 C ATOM 1275 OD1 ASP A 77 -7.302 33.978 4.562 1.00 3.30 O ATOM 1276 OD2 ASP A 77 -7.119 36.137 4.191 1.00 73.11 O ATOM 0 H ASP A 77 -5.500 36.357 1.954 1.00 22.52 H new ATOM 0 HA ASP A 77 -4.003 34.019 2.219 1.00 12.01 H new ATOM 0 HB2 ASP A 77 -4.736 34.047 4.486 1.00 12.41 H new ATOM 0 HB3 ASP A 77 -4.648 35.727 3.993 1.00 12.41 H new ATOM 1281 N HIS A 78 -7.136 33.523 1.516 1.00 43.20 N ATOM 1282 CA HIS A 78 -8.128 32.510 1.175 1.00 21.32 C ATOM 1283 C HIS A 78 -7.682 31.700 -0.038 1.00 72.53 C ATOM 1284 O HIS A 78 -8.179 30.599 -0.279 1.00 44.03 O ATOM 1285 CB HIS A 78 -9.481 33.164 0.897 1.00 14.11 C ATOM 1286 CG HIS A 78 -9.490 34.025 -0.328 1.00 41.33 C ATOM 1287 ND1 HIS A 78 -9.204 35.374 -0.302 1.00 72.03 N ATOM 1288 CD2 HIS A 78 -9.750 33.722 -1.622 1.00 10.24 C ATOM 1289 CE1 HIS A 78 -9.290 35.864 -1.526 1.00 60.32 C ATOM 1290 NE2 HIS A 78 -9.619 34.882 -2.346 1.00 34.43 N ATOM 0 H HIS A 78 -7.415 34.478 1.292 1.00 43.20 H new ATOM 0 HA HIS A 78 -8.228 31.834 2.024 1.00 21.32 H new ATOM 0 HB2 HIS A 78 -10.236 32.385 0.789 1.00 14.11 H new ATOM 0 HB3 HIS A 78 -9.767 33.768 1.758 1.00 14.11 H new ATOM 0 HD1 HIS A 78 -8.964 35.910 0.532 1.00 72.03 H new ATOM 0 HD2 HIS A 78 -10.012 32.749 -2.012 1.00 10.24 H new ATOM 0 HE1 HIS A 78 -9.120 36.893 -1.808 1.00 60.32 H new ATOM 1298 N VAL A 79 -6.743 32.252 -0.800 1.00 72.32 N ATOM 1299 CA VAL A 79 -6.230 31.580 -1.989 1.00 14.55 C ATOM 1300 C VAL A 79 -5.699 30.192 -1.649 1.00 51.34 C ATOM 1301 O VAL A 79 -4.720 30.052 -0.916 1.00 41.45 O ATOM 1302 CB VAL A 79 -5.109 32.399 -2.655 1.00 64.33 C ATOM 1303 CG1 VAL A 79 -4.479 31.612 -3.795 1.00 3.23 C ATOM 1304 CG2 VAL A 79 -5.645 33.733 -3.150 1.00 54.15 C ATOM 0 H VAL A 79 -6.322 33.163 -0.616 1.00 72.32 H new ATOM 0 HA VAL A 79 -7.063 31.486 -2.685 1.00 14.55 H new ATOM 0 HB VAL A 79 -4.337 32.598 -1.911 1.00 64.33 H new ATOM 0 HG11 VAL A 79 -3.689 32.206 -4.254 1.00 3.23 H new ATOM 0 HG12 VAL A 79 -4.057 30.685 -3.407 1.00 3.23 H new ATOM 0 HG13 VAL A 79 -5.239 31.381 -4.541 1.00 3.23 H new ATOM 0 HG21 VAL A 79 -4.839 34.298 -3.618 1.00 54.15 H new ATOM 0 HG22 VAL A 79 -6.437 33.559 -3.879 1.00 54.15 H new ATOM 0 HG23 VAL A 79 -6.044 34.299 -2.309 1.00 54.15 H new ATOM 1314 N VAL A 80 -6.351 29.167 -2.188 1.00 54.03 N ATOM 1315 CA VAL A 80 -5.944 27.789 -1.944 1.00 71.55 C ATOM 1316 C VAL A 80 -4.978 27.303 -3.019 1.00 71.42 C ATOM 1317 O VAL A 80 -5.361 27.118 -4.175 1.00 34.02 O ATOM 1318 CB VAL A 80 -7.160 26.844 -1.897 1.00 62.04 C ATOM 1319 CG1 VAL A 80 -6.707 25.396 -1.780 1.00 54.52 C ATOM 1320 CG2 VAL A 80 -8.081 27.218 -0.746 1.00 5.33 C ATOM 0 H VAL A 80 -7.164 29.265 -2.797 1.00 54.03 H new ATOM 0 HA VAL A 80 -5.444 27.774 -0.976 1.00 71.55 H new ATOM 0 HB VAL A 80 -7.718 26.951 -2.827 1.00 62.04 H new ATOM 0 HG11 VAL A 80 -7.579 24.743 -1.748 1.00 54.52 H new ATOM 0 HG12 VAL A 80 -6.091 25.137 -2.641 1.00 54.52 H new ATOM 0 HG13 VAL A 80 -6.126 25.269 -0.867 1.00 54.52 H new ATOM 0 HG21 VAL A 80 -8.934 26.540 -0.728 1.00 5.33 H new ATOM 0 HG22 VAL A 80 -7.537 27.141 0.195 1.00 5.33 H new ATOM 0 HG23 VAL A 80 -8.433 28.241 -0.879 1.00 5.33 H new ATOM 1330 N ILE A 81 -3.724 27.097 -2.631 1.00 33.03 N ATOM 1331 CA ILE A 81 -2.704 26.631 -3.561 1.00 25.31 C ATOM 1332 C ILE A 81 -2.656 25.107 -3.607 1.00 13.22 C ATOM 1333 O ILE A 81 -2.227 24.459 -2.652 1.00 64.31 O ATOM 1334 CB ILE A 81 -1.310 27.165 -3.182 1.00 2.24 C ATOM 1335 CG1 ILE A 81 -1.310 28.695 -3.176 1.00 55.21 C ATOM 1336 CG2 ILE A 81 -0.259 26.634 -4.145 1.00 23.03 C ATOM 1337 CD1 ILE A 81 -1.573 29.294 -1.812 1.00 40.42 C ATOM 0 H ILE A 81 -3.390 27.246 -1.679 1.00 33.03 H new ATOM 0 HA ILE A 81 -2.976 27.014 -4.545 1.00 25.31 H new ATOM 0 HB ILE A 81 -1.065 26.816 -2.179 1.00 2.24 H new ATOM 0 HG12 ILE A 81 -0.347 29.052 -3.541 1.00 55.21 H new ATOM 0 HG13 ILE A 81 -2.067 29.053 -3.873 1.00 55.21 H new ATOM 0 HG21 ILE A 81 0.721 27.020 -3.864 1.00 23.03 H new ATOM 0 HG22 ILE A 81 -0.245 25.545 -4.104 1.00 23.03 H new ATOM 0 HG23 ILE A 81 -0.499 26.956 -5.159 1.00 23.03 H new ATOM 0 HD11 ILE A 81 -1.558 30.382 -1.883 1.00 40.42 H new ATOM 0 HD12 ILE A 81 -2.549 28.967 -1.453 1.00 40.42 H new ATOM 0 HD13 ILE A 81 -0.801 28.966 -1.116 1.00 40.42 H new ATOM 1349 N THR A 82 -3.099 24.540 -4.725 1.00 15.24 N ATOM 1350 CA THR A 82 -3.107 23.093 -4.896 1.00 74.13 C ATOM 1351 C THR A 82 -1.986 22.643 -5.826 1.00 54.53 C ATOM 1352 O THR A 82 -2.006 22.932 -7.024 1.00 4.44 O ATOM 1353 CB THR A 82 -4.454 22.601 -5.459 1.00 53.44 C ATOM 1354 OG1 THR A 82 -4.346 21.231 -5.861 1.00 54.35 O ATOM 1355 CG2 THR A 82 -4.887 23.451 -6.645 1.00 34.51 C ATOM 0 H THR A 82 -3.457 25.061 -5.525 1.00 15.24 H new ATOM 0 HA THR A 82 -2.953 22.657 -3.909 1.00 74.13 H new ATOM 0 HB THR A 82 -5.205 22.690 -4.674 1.00 53.44 H new ATOM 0 HG1 THR A 82 -5.207 20.925 -6.216 1.00 54.35 H new ATOM 0 HG21 THR A 82 -5.840 23.085 -7.026 1.00 34.51 H new ATOM 0 HG22 THR A 82 -4.997 24.488 -6.329 1.00 34.51 H new ATOM 0 HG23 THR A 82 -4.134 23.389 -7.431 1.00 34.51 H new ATOM 1363 N LEU A 83 -1.011 21.935 -5.269 1.00 64.34 N ATOM 1364 CA LEU A 83 0.120 21.444 -6.050 1.00 31.20 C ATOM 1365 C LEU A 83 -0.356 20.762 -7.329 1.00 13.32 C ATOM 1366 O LEU A 83 -0.866 19.642 -7.295 1.00 32.40 O ATOM 1367 CB LEU A 83 0.954 20.468 -5.218 1.00 74.53 C ATOM 1368 CG LEU A 83 2.468 20.542 -5.414 1.00 43.34 C ATOM 1369 CD1 LEU A 83 2.984 21.930 -5.064 1.00 70.54 C ATOM 1370 CD2 LEU A 83 3.168 19.484 -4.574 1.00 73.33 C ATOM 0 H LEU A 83 -0.980 21.688 -4.280 1.00 64.34 H new ATOM 0 HA LEU A 83 0.738 22.299 -6.325 1.00 31.20 H new ATOM 0 HB2 LEU A 83 0.735 20.641 -4.164 1.00 74.53 H new ATOM 0 HB3 LEU A 83 0.627 19.454 -5.449 1.00 74.53 H new ATOM 0 HG LEU A 83 2.689 20.348 -6.464 1.00 43.34 H new ATOM 0 HD11 LEU A 83 4.064 21.964 -5.209 1.00 70.54 H new ATOM 0 HD12 LEU A 83 2.507 22.669 -5.709 1.00 70.54 H new ATOM 0 HD13 LEU A 83 2.751 22.153 -4.023 1.00 70.54 H new ATOM 0 HD21 LEU A 83 4.245 19.552 -4.727 1.00 73.33 H new ATOM 0 HD22 LEU A 83 2.940 19.646 -3.521 1.00 73.33 H new ATOM 0 HD23 LEU A 83 2.821 18.495 -4.872 1.00 73.33 H new ATOM 1382 N LEU A 84 -0.185 21.445 -8.456 1.00 22.34 N ATOM 1383 CA LEU A 84 -0.595 20.904 -9.747 1.00 41.42 C ATOM 1384 C LEU A 84 0.563 20.182 -10.428 1.00 4.40 C ATOM 1385 O LEU A 84 1.276 20.765 -11.245 1.00 12.13 O ATOM 1386 CB LEU A 84 -1.113 22.025 -10.650 1.00 11.43 C ATOM 1387 CG LEU A 84 -2.367 22.753 -10.164 1.00 33.22 C ATOM 1388 CD1 LEU A 84 -2.869 23.719 -11.226 1.00 32.14 C ATOM 1389 CD2 LEU A 84 -3.453 21.754 -9.793 1.00 74.40 C ATOM 0 H LEU A 84 0.234 22.374 -8.502 1.00 22.34 H new ATOM 0 HA LEU A 84 -1.396 20.185 -9.574 1.00 41.42 H new ATOM 0 HB2 LEU A 84 -0.317 22.759 -10.777 1.00 11.43 H new ATOM 0 HB3 LEU A 84 -1.319 21.605 -11.635 1.00 11.43 H new ATOM 0 HG LEU A 84 -2.109 23.326 -9.274 1.00 33.22 H new ATOM 0 HD11 LEU A 84 -3.762 24.228 -10.862 1.00 32.14 H new ATOM 0 HD12 LEU A 84 -2.095 24.455 -11.443 1.00 32.14 H new ATOM 0 HD13 LEU A 84 -3.111 23.167 -12.135 1.00 32.14 H new ATOM 0 HD21 LEU A 84 -4.338 22.290 -9.449 1.00 74.40 H new ATOM 0 HD22 LEU A 84 -3.709 21.153 -10.666 1.00 74.40 H new ATOM 0 HD23 LEU A 84 -3.092 21.102 -8.997 1.00 74.40 H new ATOM 1401 N GLU A 85 0.744 18.910 -10.087 1.00 15.11 N ATOM 1402 CA GLU A 85 1.815 18.109 -10.667 1.00 32.21 C ATOM 1403 C GLU A 85 1.258 16.848 -11.321 1.00 73.32 C ATOM 1404 O GLU A 85 0.222 16.887 -11.984 1.00 33.52 O ATOM 1405 CB GLU A 85 2.837 17.730 -9.593 1.00 44.54 C ATOM 1406 CG GLU A 85 3.833 18.836 -9.285 1.00 21.12 C ATOM 1407 CD GLU A 85 5.219 18.303 -8.978 1.00 44.41 C ATOM 1408 OE1 GLU A 85 5.965 18.007 -9.935 1.00 24.01 O ATOM 1409 OE2 GLU A 85 5.558 18.183 -7.782 1.00 62.14 O ATOM 0 H GLU A 85 0.163 18.412 -9.412 1.00 15.11 H new ATOM 0 HA GLU A 85 2.308 18.708 -11.433 1.00 32.21 H new ATOM 0 HB2 GLU A 85 2.308 17.463 -8.678 1.00 44.54 H new ATOM 0 HB3 GLU A 85 3.381 16.843 -9.917 1.00 44.54 H new ATOM 0 HG2 GLU A 85 3.889 19.516 -10.135 1.00 21.12 H new ATOM 0 HG3 GLU A 85 3.474 19.417 -8.435 1.00 21.12 H new TER 1416 GLU A 85