USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 13 ASN : amide:sc= -1.43 K(o=-5.1,f=-7!) USER MOD Set 1.2: A 16 HIS : no HE2:sc= -3.69! C(o=-5.1!,f=-8.5!) USER MOD Set 2.1: A 7 THR OG1 : rot -36:sc= -0.257! USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.137 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 80:sc= -1.78 USER MOD Single : A 15 LYS NZ :NH3+ -140:sc=-0.00294 (180deg=-1.29) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 123:sc= 1.28 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -152:sc= -1.75 (180deg=-3.24!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 37:sc= 0.613 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 70 THR OG1 : rot 140:sc= -2.8! USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= -0.186 (180deg=-0.811) USER MOD Single : A 74 MET CE :methyl 165:sc= -0.137 (180deg=-0.701) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.33) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 168:sc= -0.48! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 5.072 14.246 29.165 1.00 0.00 N ATOM 34 CA LYS A 3 5.801 13.884 30.378 1.00 0.00 C ATOM 35 C LYS A 3 6.989 14.816 30.581 1.00 0.00 C ATOM 36 O LYS A 3 8.124 14.471 30.252 1.00 0.00 O ATOM 37 CB LYS A 3 6.283 12.439 30.280 1.00 0.00 C ATOM 38 CG LYS A 3 6.875 12.146 28.904 1.00 0.00 C ATOM 39 CD LYS A 3 7.155 10.657 28.725 1.00 0.00 C ATOM 40 CE LYS A 3 8.209 10.170 29.714 1.00 0.00 C ATOM 41 NZ LYS A 3 7.600 9.331 30.785 1.00 0.00 N ATOM 0 HA LYS A 3 5.131 13.982 31.233 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.032 12.250 31.049 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.451 11.762 30.472 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.186 12.484 28.130 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.799 12.710 28.776 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.233 10.092 28.864 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.494 10.468 27.706 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.968 9.594 29.185 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.713 11.026 30.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.342 9.015 31.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.893 9.890 31.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.140 8.502 30.357 1.00 0.00 H new ATOM 55 N VAL A 4 6.722 15.999 31.123 1.00 0.00 N ATOM 56 CA VAL A 4 7.771 16.984 31.368 1.00 0.00 C ATOM 57 C VAL A 4 8.625 16.569 32.558 1.00 0.00 C ATOM 58 O VAL A 4 8.227 15.722 33.358 1.00 0.00 O ATOM 59 CB VAL A 4 7.153 18.354 31.628 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.485 18.887 30.364 1.00 0.00 C ATOM 61 CG2 VAL A 4 6.150 18.282 32.776 1.00 0.00 C ATOM 0 H VAL A 4 5.788 16.300 31.401 1.00 0.00 H new ATOM 0 HA VAL A 4 8.406 17.039 30.484 1.00 0.00 H new ATOM 0 HB VAL A 4 7.949 19.042 31.913 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.049 19.865 30.568 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.227 18.978 29.571 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.701 18.199 30.049 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.720 19.269 32.946 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.356 17.579 32.522 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.656 17.946 33.681 1.00 0.00 H new ATOM 71 N THR A 5 9.802 17.175 32.669 1.00 0.00 N ATOM 72 CA THR A 5 10.720 16.877 33.762 1.00 0.00 C ATOM 73 C THR A 5 11.527 18.117 34.123 1.00 0.00 C ATOM 74 O THR A 5 12.120 18.758 33.255 1.00 0.00 O ATOM 75 CB THR A 5 11.658 15.742 33.362 1.00 0.00 C ATOM 76 OG1 THR A 5 12.526 16.173 32.325 1.00 0.00 O ATOM 77 CG2 THR A 5 10.866 14.520 32.907 1.00 0.00 C ATOM 0 H THR A 5 10.143 17.878 32.013 1.00 0.00 H new ATOM 0 HA THR A 5 10.141 16.568 34.632 1.00 0.00 H new ATOM 0 HB THR A 5 12.251 15.462 34.233 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.707 17.131 32.427 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.555 13.723 32.627 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.227 14.177 33.721 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.249 14.785 32.048 1.00 0.00 H new ATOM 85 N PHE A 6 11.542 18.453 35.407 1.00 0.00 N ATOM 86 CA PHE A 6 12.273 19.620 35.886 1.00 0.00 C ATOM 87 C PHE A 6 13.719 19.251 36.191 1.00 0.00 C ATOM 88 O PHE A 6 14.087 18.077 36.165 1.00 0.00 O ATOM 89 CB PHE A 6 11.599 20.177 37.137 1.00 0.00 C ATOM 90 CG PHE A 6 10.144 20.510 36.917 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.194 19.500 36.907 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.756 21.825 36.722 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.859 19.807 36.703 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.420 22.131 36.518 1.00 0.00 C ATOM 95 CZ PHE A 6 7.472 21.122 36.508 1.00 0.00 C ATOM 0 H PHE A 6 11.055 17.933 36.137 1.00 0.00 H new ATOM 0 HA PHE A 6 12.266 20.383 35.108 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.683 19.449 37.944 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.128 21.074 37.460 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.495 18.474 37.058 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.495 22.612 36.729 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.119 19.020 36.696 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.118 23.157 36.367 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.431 21.361 36.348 1.00 0.00 H new ATOM 105 N THR A 7 14.536 20.259 36.477 1.00 0.00 N ATOM 106 CA THR A 7 15.945 20.038 36.784 1.00 0.00 C ATOM 107 C THR A 7 16.542 21.262 37.466 1.00 0.00 C ATOM 108 O THR A 7 16.684 22.320 36.852 1.00 0.00 O ATOM 109 CB THR A 7 16.716 19.735 35.503 1.00 0.00 C ATOM 110 OG1 THR A 7 15.938 18.908 34.652 1.00 0.00 O ATOM 111 CG2 THR A 7 18.046 19.056 35.820 1.00 0.00 C ATOM 0 H THR A 7 14.247 21.237 36.503 1.00 0.00 H new ATOM 0 HA THR A 7 16.022 19.187 37.461 1.00 0.00 H new ATOM 0 HB THR A 7 16.923 20.677 34.995 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.422 18.275 35.194 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.579 18.849 34.892 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.650 19.713 36.447 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.860 18.121 36.348 1.00 0.00 H new ATOM 119 N VAL A 8 16.893 21.112 38.739 1.00 0.00 N ATOM 120 CA VAL A 8 17.479 22.206 39.506 1.00 0.00 C ATOM 121 C VAL A 8 18.796 22.643 38.879 1.00 0.00 C ATOM 122 O VAL A 8 19.844 22.048 39.134 1.00 0.00 O ATOM 123 CB VAL A 8 17.709 21.765 40.948 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.312 22.903 41.767 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.402 21.287 41.573 1.00 0.00 C ATOM 0 H VAL A 8 16.782 20.243 39.262 1.00 0.00 H new ATOM 0 HA VAL A 8 16.790 23.050 39.497 1.00 0.00 H new ATOM 0 HB VAL A 8 18.414 20.934 40.947 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.469 22.570 42.793 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.267 23.199 41.332 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.632 23.755 41.762 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.583 20.976 42.602 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.675 22.099 41.562 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.013 20.444 41.002 1.00 0.00 H new ATOM 135 N GLU A 9 18.737 23.683 38.055 1.00 0.00 N ATOM 136 CA GLU A 9 19.926 24.201 37.387 1.00 0.00 C ATOM 137 C GLU A 9 21.029 24.472 38.403 1.00 0.00 C ATOM 138 O GLU A 9 20.785 24.491 39.609 1.00 0.00 O ATOM 139 CB GLU A 9 19.584 25.483 36.631 1.00 0.00 C ATOM 140 CG GLU A 9 19.040 25.180 35.236 1.00 0.00 C ATOM 141 CD GLU A 9 20.049 24.364 34.438 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.009 23.119 34.524 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.879 24.972 33.729 1.00 0.00 O ATOM 0 H GLU A 9 17.877 24.185 37.833 1.00 0.00 H new ATOM 0 HA GLU A 9 20.281 23.454 36.677 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.846 26.054 37.195 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.474 26.107 36.548 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.101 24.632 35.316 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.822 26.111 34.714 1.00 0.00 H new ATOM 150 N LYS A 10 22.246 24.675 37.907 1.00 0.00 N ATOM 151 CA LYS A 10 23.393 24.941 38.770 1.00 0.00 C ATOM 152 C LYS A 10 23.169 26.207 39.588 1.00 0.00 C ATOM 153 O LYS A 10 23.699 26.346 40.691 1.00 0.00 O ATOM 154 CB LYS A 10 24.655 25.085 37.925 1.00 0.00 C ATOM 155 CG LYS A 10 25.243 23.722 37.570 1.00 0.00 C ATOM 156 CD LYS A 10 26.428 23.860 36.618 1.00 0.00 C ATOM 157 CE LYS A 10 27.562 22.913 37.004 1.00 0.00 C ATOM 158 NZ LYS A 10 27.374 21.566 36.394 1.00 0.00 N ATOM 0 H LYS A 10 22.464 24.660 36.911 1.00 0.00 H new ATOM 0 HA LYS A 10 23.512 24.103 39.456 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.423 25.633 37.011 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.395 25.672 38.469 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.562 23.213 38.480 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.475 23.101 37.110 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.105 23.648 35.599 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.790 24.888 36.630 1.00 0.00 H new ATOM 0 HE2 LYS A 10 28.515 23.332 36.680 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.608 22.820 38.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.160 20.945 36.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.476 21.158 36.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.355 21.654 35.358 1.00 0.00 H new ATOM 172 N GLY A 11 22.385 27.131 39.042 1.00 0.00 N ATOM 173 CA GLY A 11 22.094 28.389 39.722 1.00 0.00 C ATOM 174 C GLY A 11 20.955 28.219 40.720 1.00 0.00 C ATOM 175 O GLY A 11 19.860 28.744 40.521 1.00 0.00 O ATOM 0 H GLY A 11 21.939 27.033 38.130 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.986 28.742 40.239 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.829 29.150 38.988 1.00 0.00 H new ATOM 179 N SER A 12 21.219 27.485 41.795 1.00 0.00 N ATOM 180 CA SER A 12 20.216 27.248 42.828 1.00 0.00 C ATOM 181 C SER A 12 20.795 27.546 44.204 1.00 0.00 C ATOM 182 O SER A 12 21.865 27.049 44.557 1.00 0.00 O ATOM 183 CB SER A 12 19.738 25.800 42.767 1.00 0.00 C ATOM 184 OG SER A 12 18.505 25.713 42.070 1.00 0.00 O ATOM 0 H SER A 12 22.120 27.043 41.975 1.00 0.00 H new ATOM 0 HA SER A 12 19.369 27.911 42.653 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.488 25.184 42.270 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.620 25.407 43.777 1.00 0.00 H new ATOM 0 HG SER A 12 18.672 25.738 41.105 1.00 0.00 H new ATOM 190 N ASN A 13 20.086 28.363 44.979 1.00 0.00 N ATOM 191 CA ASN A 13 20.538 28.728 46.318 1.00 0.00 C ATOM 192 C ASN A 13 19.412 29.394 47.102 1.00 0.00 C ATOM 193 O ASN A 13 18.278 29.476 46.632 1.00 0.00 O ATOM 194 CB ASN A 13 21.732 29.672 46.222 1.00 0.00 C ATOM 195 CG ASN A 13 21.341 30.938 45.472 1.00 0.00 C ATOM 196 OD1 ASN A 13 20.603 31.776 45.990 1.00 0.00 O ATOM 197 ND2 ASN A 13 21.836 31.079 44.248 1.00 0.00 N ATOM 0 H ASN A 13 19.199 28.784 44.703 1.00 0.00 H new ATOM 0 HA ASN A 13 20.837 27.821 46.843 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.085 29.927 47.221 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.557 29.177 45.709 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.608 31.907 43.698 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.444 30.359 43.858 1.00 0.00 H new ATOM 204 N GLU A 14 19.736 29.865 48.302 1.00 0.00 N ATOM 205 CA GLU A 14 18.765 30.522 49.161 1.00 0.00 C ATOM 206 C GLU A 14 18.102 31.675 48.429 1.00 0.00 C ATOM 207 O GLU A 14 18.768 32.560 47.892 1.00 0.00 O ATOM 208 CB GLU A 14 19.443 31.035 50.427 1.00 0.00 C ATOM 209 CG GLU A 14 18.788 30.457 51.679 1.00 0.00 C ATOM 210 CD GLU A 14 19.470 29.155 52.079 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.564 29.216 52.677 1.00 0.00 O ATOM 212 OE2 GLU A 14 18.908 28.077 51.793 1.00 0.00 O ATOM 0 H GLU A 14 20.672 29.801 48.701 1.00 0.00 H new ATOM 0 HA GLU A 14 18.001 29.794 49.436 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.500 30.768 50.410 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.390 32.123 50.455 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.853 31.175 52.496 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.729 30.279 51.494 1.00 0.00 H new ATOM 219 N LYS A 15 16.784 31.653 48.426 1.00 0.00 N ATOM 220 CA LYS A 15 15.990 32.690 47.776 1.00 0.00 C ATOM 221 C LYS A 15 16.160 32.638 46.260 1.00 0.00 C ATOM 222 O LYS A 15 15.899 33.622 45.568 1.00 0.00 O ATOM 223 CB LYS A 15 16.409 34.062 48.296 1.00 0.00 C ATOM 224 CG LYS A 15 15.259 34.753 49.023 1.00 0.00 C ATOM 225 CD LYS A 15 15.442 34.684 50.537 1.00 0.00 C ATOM 226 CE LYS A 15 14.435 33.730 51.173 1.00 0.00 C ATOM 227 NZ LYS A 15 13.048 34.269 51.083 1.00 0.00 N ATOM 0 H LYS A 15 16.230 30.921 48.871 1.00 0.00 H new ATOM 0 HA LYS A 15 14.940 32.516 48.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.257 33.954 48.972 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.742 34.683 47.464 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.200 35.795 48.708 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.315 34.283 48.746 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.455 34.355 50.769 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.325 35.679 50.966 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.484 32.761 50.676 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.697 33.565 52.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.542 34.074 51.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.084 35.296 50.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.549 33.813 50.292 1.00 0.00 H new ATOM 241 N HIS A 16 16.594 31.490 45.746 1.00 0.00 N ATOM 242 CA HIS A 16 16.791 31.326 44.310 1.00 0.00 C ATOM 243 C HIS A 16 16.747 29.851 43.929 1.00 0.00 C ATOM 244 O HIS A 16 17.776 29.175 43.903 1.00 0.00 O ATOM 245 CB HIS A 16 18.127 31.934 43.893 1.00 0.00 C ATOM 246 CG HIS A 16 18.141 33.427 43.999 1.00 0.00 C ATOM 247 ND1 HIS A 16 18.352 34.096 45.177 1.00 0.00 N ATOM 248 CD2 HIS A 16 17.965 34.402 43.070 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.310 35.396 44.994 1.00 0.00 C ATOM 250 NE2 HIS A 16 18.074 35.622 43.712 1.00 0.00 N ATOM 0 H HIS A 16 16.815 30.663 46.301 1.00 0.00 H new ATOM 0 HA HIS A 16 15.986 31.843 43.788 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.920 31.522 44.518 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.348 31.645 42.866 1.00 0.00 H new ATOM 0 HD1 HIS A 16 18.519 33.644 46.076 1.00 0.00 H new ATOM 0 HD2 HIS A 16 17.774 34.251 42.018 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.445 36.149 45.757 1.00 0.00 H new ATOM 258 N LEU A 17 15.549 29.360 43.632 1.00 0.00 N ATOM 259 CA LEU A 17 15.361 27.964 43.247 1.00 0.00 C ATOM 260 C LEU A 17 15.219 27.857 41.734 1.00 0.00 C ATOM 261 O LEU A 17 14.108 27.848 41.203 1.00 0.00 O ATOM 262 CB LEU A 17 14.118 27.400 43.935 1.00 0.00 C ATOM 263 CG LEU A 17 14.049 25.876 43.833 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.685 25.447 42.414 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.367 25.238 44.266 1.00 0.00 C ATOM 0 H LEU A 17 14.690 29.909 43.650 1.00 0.00 H new ATOM 0 HA LEU A 17 16.231 27.386 43.559 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.120 27.693 44.985 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.226 27.834 43.484 1.00 0.00 H new ATOM 0 HG LEU A 17 13.268 25.528 44.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.641 24.359 42.363 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.713 25.862 42.146 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.440 25.813 41.718 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.291 24.154 44.184 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.172 25.595 43.624 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.580 25.509 45.300 1.00 0.00 H new ATOM 277 N ALA A 18 16.352 27.783 41.042 1.00 0.00 N ATOM 278 CA ALA A 18 16.360 27.685 39.586 1.00 0.00 C ATOM 279 C ALA A 18 16.029 26.268 39.139 1.00 0.00 C ATOM 280 O ALA A 18 16.411 25.293 39.788 1.00 0.00 O ATOM 281 CB ALA A 18 17.728 28.087 39.043 1.00 0.00 C ATOM 0 H ALA A 18 17.279 27.789 41.468 1.00 0.00 H new ATOM 0 HA ALA A 18 15.601 28.361 39.194 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.725 28.011 37.956 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.947 29.114 39.334 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.491 27.424 39.451 1.00 0.00 H new ATOM 287 N VAL A 19 15.327 26.163 38.017 1.00 0.00 N ATOM 288 CA VAL A 19 14.950 24.868 37.461 1.00 0.00 C ATOM 289 C VAL A 19 14.905 24.946 35.943 1.00 0.00 C ATOM 290 O VAL A 19 14.305 25.856 35.374 1.00 0.00 O ATOM 291 CB VAL A 19 13.592 24.430 37.992 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.642 24.235 39.505 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.517 25.445 37.617 1.00 0.00 C ATOM 0 H VAL A 19 15.006 26.963 37.472 1.00 0.00 H new ATOM 0 HA VAL A 19 15.697 24.134 37.763 1.00 0.00 H new ATOM 0 HB VAL A 19 13.337 23.475 37.533 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.662 23.922 39.864 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.379 23.470 39.749 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.921 25.174 39.984 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.553 25.115 38.005 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.767 26.415 38.046 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.461 25.531 36.532 1.00 0.00 H new ATOM 303 N LEU A 20 15.547 23.988 35.293 1.00 0.00 N ATOM 304 CA LEU A 20 15.591 23.949 33.836 1.00 0.00 C ATOM 305 C LEU A 20 14.338 23.288 33.275 1.00 0.00 C ATOM 306 O LEU A 20 14.331 22.090 32.992 1.00 0.00 O ATOM 307 CB LEU A 20 16.832 23.189 33.377 1.00 0.00 C ATOM 308 CG LEU A 20 17.521 23.903 32.218 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.804 23.176 31.828 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.582 24.010 31.019 1.00 0.00 C ATOM 0 H LEU A 20 16.046 23.225 35.750 1.00 0.00 H new ATOM 0 HA LEU A 20 15.635 24.972 33.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.528 23.087 34.210 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.552 22.181 33.071 1.00 0.00 H new ATOM 0 HG LEU A 20 17.781 24.911 32.542 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.282 23.700 31.000 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.482 23.151 32.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.566 22.157 31.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.091 24.522 30.203 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.290 23.011 30.695 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.693 24.573 31.302 1.00 0.00 H new ATOM 322 N VAL A 21 13.278 24.076 33.109 1.00 0.00 N ATOM 323 CA VAL A 21 12.020 23.565 32.573 1.00 0.00 C ATOM 324 C VAL A 21 12.031 23.632 31.051 1.00 0.00 C ATOM 325 O VAL A 21 11.606 24.625 30.460 1.00 0.00 O ATOM 326 CB VAL A 21 10.848 24.375 33.121 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.523 23.743 32.705 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.934 24.482 34.641 1.00 0.00 C ATOM 0 H VAL A 21 13.266 25.070 33.338 1.00 0.00 H new ATOM 0 HA VAL A 21 11.906 22.525 32.880 1.00 0.00 H new ATOM 0 HB VAL A 21 10.899 25.380 32.702 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.698 24.333 33.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.458 23.717 31.617 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.466 22.727 33.096 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.090 25.063 35.013 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.908 23.484 35.078 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.865 24.976 34.919 1.00 0.00 H new ATOM 338 N LYS A 22 12.522 22.570 30.419 1.00 0.00 N ATOM 339 CA LYS A 22 12.592 22.509 28.962 1.00 0.00 C ATOM 340 C LYS A 22 12.366 21.083 28.477 1.00 0.00 C ATOM 341 O LYS A 22 12.522 20.127 29.236 1.00 0.00 O ATOM 342 CB LYS A 22 13.955 23.009 28.489 1.00 0.00 C ATOM 343 CG LYS A 22 14.087 22.915 26.971 1.00 0.00 C ATOM 344 CD LYS A 22 15.424 23.475 26.495 1.00 0.00 C ATOM 345 CE LYS A 22 15.739 23.021 25.073 1.00 0.00 C ATOM 346 NZ LYS A 22 16.349 21.661 25.059 1.00 0.00 N ATOM 0 H LYS A 22 12.877 21.740 30.893 1.00 0.00 H new ATOM 0 HA LYS A 22 11.810 23.145 28.547 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.094 24.043 28.804 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.743 22.423 28.961 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.995 21.875 26.660 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.272 23.463 26.498 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.400 24.564 26.535 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.218 23.149 27.167 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.825 23.017 24.480 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.420 23.732 24.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.551 21.381 24.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.234 21.672 25.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.688 20.980 25.484 1.00 0.00 H new ATOM 360 N TYR A 23 12.002 20.946 27.205 1.00 0.00 N ATOM 361 CA TYR A 23 11.758 19.635 26.612 1.00 0.00 C ATOM 362 C TYR A 23 11.286 19.785 25.170 1.00 0.00 C ATOM 363 O TYR A 23 11.070 20.898 24.691 1.00 0.00 O ATOM 364 CB TYR A 23 10.715 18.876 27.428 1.00 0.00 C ATOM 365 CG TYR A 23 9.509 19.714 27.771 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.483 19.858 26.853 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.425 20.336 29.004 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.374 20.625 27.170 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.315 21.102 29.319 1.00 0.00 C ATOM 370 CZ TYR A 23 7.295 21.243 28.400 1.00 0.00 C ATOM 371 OH TYR A 23 6.192 22.003 28.714 1.00 0.00 O ATOM 0 H TYR A 23 11.869 21.728 26.564 1.00 0.00 H new ATOM 0 HA TYR A 23 12.691 19.071 26.617 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.393 17.998 26.868 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.174 18.516 28.349 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.547 19.373 25.890 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.225 20.224 29.721 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.573 20.739 26.455 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.248 21.588 30.281 1.00 0.00 H new ATOM 0 HH TYR A 23 5.778 21.656 29.532 1.00 0.00 H new ATOM 381 N GLU A 24 11.129 18.658 24.482 1.00 0.00 N ATOM 382 CA GLU A 24 10.684 18.664 23.091 1.00 0.00 C ATOM 383 C GLU A 24 9.204 18.313 23.004 1.00 0.00 C ATOM 384 O GLU A 24 8.761 17.304 23.553 1.00 0.00 O ATOM 385 CB GLU A 24 11.504 17.666 22.277 1.00 0.00 C ATOM 386 CG GLU A 24 11.730 18.168 20.853 1.00 0.00 C ATOM 387 CD GLU A 24 12.619 17.198 20.086 1.00 0.00 C ATOM 388 OE1 GLU A 24 13.833 17.148 20.374 1.00 0.00 O ATOM 389 OE2 GLU A 24 12.100 16.491 19.196 1.00 0.00 O ATOM 0 H GLU A 24 11.303 17.729 24.864 1.00 0.00 H new ATOM 0 HA GLU A 24 10.830 19.664 22.683 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.465 17.499 22.763 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.989 16.705 22.249 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.773 18.277 20.342 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.193 19.155 20.877 1.00 0.00 H new ATOM 396 N GLY A 25 8.443 19.152 22.308 1.00 0.00 N ATOM 397 CA GLY A 25 7.010 18.933 22.145 1.00 0.00 C ATOM 398 C GLY A 25 6.266 20.261 22.090 1.00 0.00 C ATOM 399 O GLY A 25 5.446 20.488 21.200 1.00 0.00 O ATOM 0 H GLY A 25 8.796 19.991 21.847 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.825 18.368 21.231 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.632 18.333 22.973 1.00 0.00 H new ATOM 403 N ASP A 26 6.557 21.137 23.046 1.00 0.00 N ATOM 404 CA ASP A 26 5.916 22.446 23.110 1.00 0.00 C ATOM 405 C ASP A 26 6.948 23.527 23.406 1.00 0.00 C ATOM 406 O ASP A 26 8.143 23.246 23.507 1.00 0.00 O ATOM 407 CB ASP A 26 4.838 22.445 24.190 1.00 0.00 C ATOM 408 CG ASP A 26 3.457 22.342 23.556 1.00 0.00 C ATOM 409 OD1 ASP A 26 3.245 22.956 22.489 1.00 0.00 O ATOM 410 OD2 ASP A 26 2.590 21.647 24.127 1.00 0.00 O ATOM 0 H ASP A 26 7.234 20.964 23.789 1.00 0.00 H new ATOM 0 HA ASP A 26 5.455 22.658 22.145 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.996 21.609 24.871 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.907 23.357 24.783 1.00 0.00 H new ATOM 415 N THR A 27 6.483 24.764 23.542 1.00 0.00 N ATOM 416 CA THR A 27 7.369 25.889 23.826 1.00 0.00 C ATOM 417 C THR A 27 7.045 26.493 25.187 1.00 0.00 C ATOM 418 O THR A 27 6.062 26.119 25.827 1.00 0.00 O ATOM 419 CB THR A 27 7.230 26.952 22.738 1.00 0.00 C ATOM 420 OG1 THR A 27 6.122 26.652 21.903 1.00 0.00 O ATOM 421 CG2 THR A 27 8.504 27.040 21.902 1.00 0.00 C ATOM 0 H THR A 27 5.498 25.014 23.460 1.00 0.00 H new ATOM 0 HA THR A 27 8.397 25.526 23.841 1.00 0.00 H new ATOM 0 HB THR A 27 7.065 27.916 23.219 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.039 27.339 21.210 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.383 27.803 21.133 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.344 27.303 22.545 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.697 26.077 21.430 1.00 0.00 H new ATOM 429 N MET A 28 7.882 27.428 25.623 1.00 0.00 N ATOM 430 CA MET A 28 7.696 28.092 26.910 1.00 0.00 C ATOM 431 C MET A 28 6.574 29.113 26.823 1.00 0.00 C ATOM 432 O MET A 28 5.888 29.211 25.809 1.00 0.00 O ATOM 433 CB MET A 28 8.988 28.784 27.324 1.00 0.00 C ATOM 434 CG MET A 28 10.169 27.817 27.293 1.00 0.00 C ATOM 435 SD MET A 28 11.451 28.336 26.141 1.00 0.00 S ATOM 436 CE MET A 28 12.398 29.465 27.174 1.00 0.00 C ATOM 0 H MET A 28 8.700 27.745 25.102 1.00 0.00 H new ATOM 0 HA MET A 28 7.431 27.342 27.655 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.184 29.623 26.656 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.878 29.195 28.328 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.595 27.735 28.293 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.815 26.824 27.015 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.231 29.871 26.600 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.755 30.280 27.507 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.783 28.929 28.042 1.00 0.00 H new ATOM 446 N ALA A 29 6.391 29.877 27.896 1.00 0.00 N ATOM 447 CA ALA A 29 5.350 30.902 27.945 1.00 0.00 C ATOM 448 C ALA A 29 5.184 31.418 29.367 1.00 0.00 C ATOM 449 O ALA A 29 5.445 32.587 29.653 1.00 0.00 O ATOM 450 CB ALA A 29 4.022 30.336 27.451 1.00 0.00 C ATOM 0 H ALA A 29 6.951 29.806 28.746 1.00 0.00 H new ATOM 0 HA ALA A 29 5.650 31.725 27.297 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.257 31.112 27.494 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.133 29.992 26.423 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.725 29.499 28.083 1.00 0.00 H new ATOM 456 N GLU A 30 4.744 30.533 30.253 1.00 0.00 N ATOM 457 CA GLU A 30 4.532 30.879 31.654 1.00 0.00 C ATOM 458 C GLU A 30 4.808 29.667 32.531 1.00 0.00 C ATOM 459 O GLU A 30 4.846 28.541 32.042 1.00 0.00 O ATOM 460 CB GLU A 30 3.097 31.357 31.859 1.00 0.00 C ATOM 461 CG GLU A 30 3.049 32.629 32.700 1.00 0.00 C ATOM 462 CD GLU A 30 1.924 32.541 33.722 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.931 31.594 34.536 1.00 0.00 O ATOM 464 OE2 GLU A 30 1.036 33.419 33.707 1.00 0.00 O ATOM 0 H GLU A 30 4.526 29.563 30.024 1.00 0.00 H new ATOM 0 HA GLU A 30 5.215 31.682 31.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.631 31.541 30.891 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.517 30.574 32.348 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.002 32.773 33.209 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.898 33.495 32.055 1.00 0.00 H new ATOM 471 N VAL A 31 5.004 29.899 33.825 1.00 0.00 N ATOM 472 CA VAL A 31 5.280 28.814 34.763 1.00 0.00 C ATOM 473 C VAL A 31 5.596 29.374 36.144 1.00 0.00 C ATOM 474 O VAL A 31 6.295 30.378 36.278 1.00 0.00 O ATOM 475 CB VAL A 31 6.437 27.948 34.240 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.580 28.813 33.728 1.00 0.00 C ATOM 477 CG2 VAL A 31 6.941 26.974 35.308 1.00 0.00 C ATOM 0 H VAL A 31 4.977 30.827 34.248 1.00 0.00 H new ATOM 0 HA VAL A 31 4.394 28.185 34.850 1.00 0.00 H new ATOM 0 HB VAL A 31 6.049 27.360 33.408 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.385 28.174 33.364 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.222 29.445 32.915 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.953 29.440 34.538 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.759 26.379 34.901 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.295 27.534 36.173 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.128 26.314 35.611 1.00 0.00 H new ATOM 487 N GLU A 32 5.064 28.714 37.168 1.00 0.00 N ATOM 488 CA GLU A 32 5.270 29.133 38.546 1.00 0.00 C ATOM 489 C GLU A 32 5.553 27.923 39.432 1.00 0.00 C ATOM 490 O GLU A 32 5.558 26.785 38.962 1.00 0.00 O ATOM 491 CB GLU A 32 4.033 29.872 39.040 1.00 0.00 C ATOM 492 CG GLU A 32 2.831 28.938 39.151 1.00 0.00 C ATOM 493 CD GLU A 32 1.629 29.537 38.433 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.943 30.392 39.031 1.00 0.00 O ATOM 495 OE2 GLU A 32 1.376 29.151 37.272 1.00 0.00 O ATOM 0 H GLU A 32 4.484 27.882 37.066 1.00 0.00 H new ATOM 0 HA GLU A 32 6.131 29.800 38.593 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.239 30.319 40.013 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.799 30.689 38.357 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.075 27.967 38.719 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.589 28.768 40.200 1.00 0.00 H new ATOM 502 N LEU A 33 5.795 28.177 40.715 1.00 0.00 N ATOM 503 CA LEU A 33 6.088 27.112 41.671 1.00 0.00 C ATOM 504 C LEU A 33 4.985 27.007 42.718 1.00 0.00 C ATOM 505 O LEU A 33 4.047 27.804 42.733 1.00 0.00 O ATOM 506 CB LEU A 33 7.420 27.394 42.357 1.00 0.00 C ATOM 507 CG LEU A 33 8.493 26.408 41.915 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.856 26.814 42.468 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.138 24.990 42.358 1.00 0.00 C ATOM 0 H LEU A 33 5.794 29.114 41.118 1.00 0.00 H new ATOM 0 HA LEU A 33 6.144 26.167 41.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.741 28.410 42.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.294 27.336 43.438 1.00 0.00 H new ATOM 0 HG LEU A 33 8.544 26.425 40.826 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.609 26.097 42.141 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.116 27.807 42.101 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.817 26.828 43.557 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.917 24.301 42.032 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.056 24.958 43.444 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.187 24.698 41.914 1.00 0.00 H new ATOM 521 N ARG A 34 5.113 26.018 43.598 1.00 0.00 N ATOM 522 CA ARG A 34 4.139 25.797 44.664 1.00 0.00 C ATOM 523 C ARG A 34 4.753 24.934 45.761 1.00 0.00 C ATOM 524 O ARG A 34 5.846 24.393 45.594 1.00 0.00 O ATOM 525 CB ARG A 34 2.893 25.118 44.105 1.00 0.00 C ATOM 526 CG ARG A 34 1.621 25.775 44.632 1.00 0.00 C ATOM 527 CD ARG A 34 0.555 24.732 44.954 1.00 0.00 C ATOM 528 NE ARG A 34 -0.250 25.163 46.091 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.553 24.908 46.159 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.011 23.704 45.849 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.398 25.858 46.537 1.00 0.00 N ATOM 0 H ARG A 34 5.886 25.353 43.594 1.00 0.00 H new ATOM 0 HA ARG A 34 3.856 26.761 45.087 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.906 25.168 43.016 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.899 24.062 44.376 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.851 26.353 45.527 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.236 26.476 43.891 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.085 24.576 44.085 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.028 23.776 45.177 1.00 0.00 H new ATOM 0 HE ARG A 34 0.198 25.673 46.853 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.364 22.972 45.558 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.011 23.510 45.902 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.048 26.786 46.776 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.397 25.661 46.589 1.00 0.00 H new ATOM 545 N GLU A 35 4.049 24.807 46.882 1.00 0.00 N ATOM 546 CA GLU A 35 4.537 24.005 48.001 1.00 0.00 C ATOM 547 C GLU A 35 3.408 23.197 48.638 1.00 0.00 C ATOM 548 O GLU A 35 3.562 22.670 49.740 1.00 0.00 O ATOM 549 CB GLU A 35 5.180 24.913 49.046 1.00 0.00 C ATOM 550 CG GLU A 35 6.688 25.019 48.831 1.00 0.00 C ATOM 551 CD GLU A 35 7.124 26.478 48.859 1.00 0.00 C ATOM 552 OE1 GLU A 35 6.455 27.312 48.215 1.00 0.00 O ATOM 553 OE2 GLU A 35 8.135 26.784 49.526 1.00 0.00 O ATOM 0 H GLU A 35 3.142 25.247 47.040 1.00 0.00 H new ATOM 0 HA GLU A 35 5.280 23.305 47.619 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.732 25.905 48.995 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.979 24.523 50.044 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.213 24.460 49.606 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.959 24.570 47.876 1.00 0.00 H new ATOM 560 N HIS A 36 2.277 23.091 47.944 1.00 0.00 N ATOM 561 CA HIS A 36 1.137 22.335 48.453 1.00 0.00 C ATOM 562 C HIS A 36 0.761 22.801 49.853 1.00 0.00 C ATOM 563 O HIS A 36 0.188 22.041 50.634 1.00 0.00 O ATOM 564 CB HIS A 36 1.477 20.849 48.486 1.00 0.00 C ATOM 565 CG HIS A 36 0.406 19.994 47.884 1.00 0.00 C ATOM 566 ND1 HIS A 36 -0.917 20.094 48.228 1.00 0.00 N ATOM 567 CD2 HIS A 36 0.451 19.011 46.947 1.00 0.00 C ATOM 568 CE1 HIS A 36 -1.645 19.236 47.552 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.840 18.553 46.755 1.00 0.00 N ATOM 0 H HIS A 36 2.126 23.518 47.030 1.00 0.00 H new ATOM 0 HA HIS A 36 0.289 22.504 47.789 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.412 20.683 47.950 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.643 20.542 49.519 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.336 18.652 46.443 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.715 19.110 47.633 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.123 17.815 46.110 1.00 0.00 H new ATOM 577 N GLY A 37 1.088 24.047 50.172 1.00 0.00 N ATOM 578 CA GLY A 37 0.781 24.596 51.487 1.00 0.00 C ATOM 579 C GLY A 37 0.830 26.119 51.467 1.00 0.00 C ATOM 580 O GLY A 37 1.138 26.753 52.476 1.00 0.00 O ATOM 0 H GLY A 37 1.563 24.694 49.542 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.208 24.264 51.802 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.493 24.215 52.219 1.00 0.00 H new ATOM 584 N SER A 38 0.525 26.700 50.312 1.00 0.00 N ATOM 585 CA SER A 38 0.534 28.148 50.154 1.00 0.00 C ATOM 586 C SER A 38 -0.882 28.684 49.941 1.00 0.00 C ATOM 587 O SER A 38 -1.125 29.883 50.083 1.00 0.00 O ATOM 588 CB SER A 38 1.415 28.528 48.969 1.00 0.00 C ATOM 589 OG SER A 38 2.139 27.400 48.502 1.00 0.00 O ATOM 0 H SER A 38 0.268 26.187 49.469 1.00 0.00 H new ATOM 0 HA SER A 38 0.934 28.593 51.065 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.799 28.929 48.165 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.109 29.316 49.263 1.00 0.00 H new ATOM 0 HG SER A 38 2.697 27.662 47.741 1.00 0.00 H new ATOM 595 N ASP A 39 -1.815 27.796 49.597 1.00 0.00 N ATOM 596 CA ASP A 39 -3.204 28.189 49.362 1.00 0.00 C ATOM 597 C ASP A 39 -3.338 28.985 48.062 1.00 0.00 C ATOM 598 O ASP A 39 -4.402 29.535 47.776 1.00 0.00 O ATOM 599 CB ASP A 39 -3.717 29.021 50.536 1.00 0.00 C ATOM 600 CG ASP A 39 -5.070 28.498 51.001 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.783 27.880 50.183 1.00 0.00 O ATOM 602 OD2 ASP A 39 -5.415 28.707 52.183 1.00 0.00 O ATOM 0 H ASP A 39 -1.634 26.800 49.475 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.803 27.283 49.271 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.002 28.983 51.358 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.806 30.066 50.239 1.00 0.00 H new ATOM 607 N GLU A 40 -2.262 29.041 47.274 1.00 0.00 N ATOM 608 CA GLU A 40 -2.273 29.766 46.006 1.00 0.00 C ATOM 609 C GLU A 40 -0.910 29.670 45.332 1.00 0.00 C ATOM 610 O GLU A 40 0.115 29.539 46.001 1.00 0.00 O ATOM 611 CB GLU A 40 -2.633 31.232 46.239 1.00 0.00 C ATOM 612 CG GLU A 40 -1.544 31.953 47.028 1.00 0.00 C ATOM 613 CD GLU A 40 -1.902 33.424 47.198 1.00 0.00 C ATOM 614 OE1 GLU A 40 -3.083 33.776 46.995 1.00 0.00 O ATOM 615 OE2 GLU A 40 -1.002 34.221 47.534 1.00 0.00 O ATOM 0 H GLU A 40 -1.373 28.592 47.494 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.023 29.316 45.356 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.780 31.729 45.280 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.578 31.295 46.779 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.423 31.486 48.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.589 31.861 46.511 1.00 0.00 H new ATOM 622 N TRP A 41 -0.904 29.738 44.006 1.00 0.00 N ATOM 623 CA TRP A 41 0.336 29.661 43.239 1.00 0.00 C ATOM 624 C TRP A 41 1.085 30.986 43.307 1.00 0.00 C ATOM 625 O TRP A 41 0.504 32.024 43.625 1.00 0.00 O ATOM 626 CB TRP A 41 0.026 29.313 41.787 1.00 0.00 C ATOM 627 CG TRP A 41 -0.576 27.949 41.634 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.900 27.621 41.743 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.123 26.720 41.343 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.040 26.277 41.536 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.833 25.698 41.290 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.461 26.387 41.123 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.491 24.381 41.028 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.811 25.070 40.860 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.843 24.076 40.813 1.00 0.00 C ATOM 0 H TRP A 41 -1.744 29.846 43.438 1.00 0.00 H new ATOM 0 HA TRP A 41 0.966 28.882 43.668 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.659 30.056 41.378 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.943 29.368 41.201 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.703 28.311 41.957 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.928 25.776 41.562 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.222 27.153 41.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.247 23.610 40.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.847 24.816 40.690 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.133 23.056 40.607 1.00 0.00 H new ATOM 646 N VAL A 42 2.380 30.945 43.006 1.00 0.00 N ATOM 647 CA VAL A 42 3.215 32.143 43.033 1.00 0.00 C ATOM 648 C VAL A 42 4.088 32.208 41.785 1.00 0.00 C ATOM 649 O VAL A 42 5.057 31.460 41.655 1.00 0.00 O ATOM 650 CB VAL A 42 4.092 32.135 44.280 1.00 0.00 C ATOM 651 CG1 VAL A 42 3.236 32.253 45.538 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.942 30.869 44.328 1.00 0.00 C ATOM 0 H VAL A 42 2.875 30.094 42.740 1.00 0.00 H new ATOM 0 HA VAL A 42 2.569 33.021 43.055 1.00 0.00 H new ATOM 0 HB VAL A 42 4.759 32.996 44.236 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.879 32.246 46.418 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.672 33.186 45.508 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.544 31.412 45.587 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.562 30.881 45.225 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.292 29.995 44.348 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.581 30.826 43.446 1.00 0.00 H new ATOM 662 N ALA A 43 3.737 33.107 40.868 1.00 0.00 N ATOM 663 CA ALA A 43 4.481 33.276 39.618 1.00 0.00 C ATOM 664 C ALA A 43 5.987 33.270 39.869 1.00 0.00 C ATOM 665 O ALA A 43 6.483 33.964 40.756 1.00 0.00 O ATOM 666 CB ALA A 43 4.075 34.585 38.946 1.00 0.00 C ATOM 0 H ALA A 43 2.938 33.733 40.967 1.00 0.00 H new ATOM 0 HA ALA A 43 4.240 32.439 38.963 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.632 34.705 38.017 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.007 34.567 38.729 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.296 35.419 39.612 1.00 0.00 H new ATOM 672 N MET A 44 6.707 32.479 39.079 1.00 0.00 N ATOM 673 CA MET A 44 8.158 32.375 39.208 1.00 0.00 C ATOM 674 C MET A 44 8.823 33.679 38.784 1.00 0.00 C ATOM 675 O MET A 44 8.151 34.689 38.574 1.00 0.00 O ATOM 676 CB MET A 44 8.673 31.223 38.350 1.00 0.00 C ATOM 677 CG MET A 44 8.990 29.997 39.202 1.00 0.00 C ATOM 678 SD MET A 44 10.753 29.816 39.517 1.00 0.00 S ATOM 679 CE MET A 44 10.928 28.025 39.455 1.00 0.00 C ATOM 0 H MET A 44 6.309 31.899 38.341 1.00 0.00 H new ATOM 0 HA MET A 44 8.405 32.182 40.252 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.927 30.964 37.599 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.568 31.538 37.814 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.460 30.071 40.152 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.620 29.103 38.699 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.764 27.719 40.084 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.012 27.557 39.816 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.114 27.713 38.427 1.00 0.00 H new ATOM 689 N THR A 45 10.146 33.652 38.660 1.00 0.00 N ATOM 690 CA THR A 45 10.903 34.834 38.261 1.00 0.00 C ATOM 691 C THR A 45 12.127 34.430 37.451 1.00 0.00 C ATOM 692 O THR A 45 13.002 33.718 37.943 1.00 0.00 O ATOM 693 CB THR A 45 11.333 35.620 39.496 1.00 0.00 C ATOM 694 OG1 THR A 45 10.202 35.923 40.297 1.00 0.00 O ATOM 695 CG2 THR A 45 12.050 36.906 39.095 1.00 0.00 C ATOM 0 H THR A 45 10.717 32.824 38.830 1.00 0.00 H new ATOM 0 HA THR A 45 10.265 35.464 37.641 1.00 0.00 H new ATOM 0 HB THR A 45 12.025 35.006 40.072 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.487 36.426 41.088 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.348 37.451 39.991 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.935 36.661 38.508 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.380 37.526 38.499 1.00 0.00 H new ATOM 703 N LYS A 46 12.182 34.888 36.205 1.00 0.00 N ATOM 704 CA LYS A 46 13.299 34.573 35.322 1.00 0.00 C ATOM 705 C LYS A 46 14.552 35.320 35.757 1.00 0.00 C ATOM 706 O LYS A 46 15.022 36.223 35.063 1.00 0.00 O ATOM 707 CB LYS A 46 12.947 34.944 33.885 1.00 0.00 C ATOM 708 CG LYS A 46 12.369 36.354 33.806 1.00 0.00 C ATOM 709 CD LYS A 46 12.757 37.039 32.498 1.00 0.00 C ATOM 710 CE LYS A 46 12.315 36.217 31.290 1.00 0.00 C ATOM 711 NZ LYS A 46 13.325 36.278 30.196 1.00 0.00 N ATOM 0 H LYS A 46 11.465 35.479 35.784 1.00 0.00 H new ATOM 0 HA LYS A 46 13.495 33.502 35.379 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.838 34.878 33.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.226 34.230 33.488 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.283 36.309 33.888 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.728 36.944 34.649 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.302 38.028 32.454 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.837 37.184 32.467 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.162 35.180 31.589 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.357 36.588 30.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.997 35.710 29.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.452 37.266 29.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.232 35.901 30.539 1.00 0.00 H new ATOM 725 N GLY A 47 15.093 34.936 36.906 1.00 0.00 N ATOM 726 CA GLY A 47 16.298 35.565 37.435 1.00 0.00 C ATOM 727 C GLY A 47 17.556 34.853 36.941 1.00 0.00 C ATOM 728 O GLY A 47 18.664 35.368 37.090 1.00 0.00 O ATOM 0 H GLY A 47 14.716 34.190 37.491 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.327 36.612 37.133 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.272 35.548 38.525 1.00 0.00 H new ATOM 732 N GLU A 48 17.387 33.667 36.357 1.00 0.00 N ATOM 733 CA GLU A 48 18.519 32.897 35.851 1.00 0.00 C ATOM 734 C GLU A 48 18.894 33.324 34.431 1.00 0.00 C ATOM 735 O GLU A 48 19.783 32.731 33.819 1.00 0.00 O ATOM 736 CB GLU A 48 18.177 31.411 35.866 1.00 0.00 C ATOM 737 CG GLU A 48 18.960 30.674 36.949 1.00 0.00 C ATOM 738 CD GLU A 48 20.135 29.926 36.333 1.00 0.00 C ATOM 739 OE1 GLU A 48 19.920 28.819 35.795 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.268 30.448 36.389 1.00 0.00 O ATOM 0 H GLU A 48 16.479 33.221 36.224 1.00 0.00 H new ATOM 0 HA GLU A 48 19.374 33.087 36.499 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.108 31.283 36.036 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.399 30.974 34.892 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.321 31.384 37.693 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.306 29.974 37.468 1.00 0.00 H new ATOM 747 N GLY A 49 18.223 34.346 33.905 1.00 0.00 N ATOM 748 CA GLY A 49 18.506 34.829 32.557 1.00 0.00 C ATOM 749 C GLY A 49 18.183 33.763 31.514 1.00 0.00 C ATOM 750 O GLY A 49 18.697 33.803 30.396 1.00 0.00 O ATOM 0 H GLY A 49 17.483 34.853 34.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.920 35.726 32.358 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.556 35.111 32.481 1.00 0.00 H new ATOM 754 N GLY A 50 17.329 32.811 31.882 1.00 0.00 N ATOM 755 CA GLY A 50 16.939 31.736 30.976 1.00 0.00 C ATOM 756 C GLY A 50 16.119 30.698 31.725 1.00 0.00 C ATOM 757 O GLY A 50 15.186 30.109 31.179 1.00 0.00 O ATOM 0 H GLY A 50 16.894 32.763 32.803 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.359 32.141 30.147 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.826 31.270 30.547 1.00 0.00 H new ATOM 761 N VAL A 51 16.475 30.489 32.986 1.00 0.00 N ATOM 762 CA VAL A 51 15.784 29.535 33.840 1.00 0.00 C ATOM 763 C VAL A 51 14.934 30.295 34.860 1.00 0.00 C ATOM 764 O VAL A 51 15.180 31.468 35.136 1.00 0.00 O ATOM 765 CB VAL A 51 16.826 28.626 34.517 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.324 28.029 35.824 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.253 27.516 33.561 1.00 0.00 C ATOM 0 H VAL A 51 17.247 30.974 33.443 1.00 0.00 H new ATOM 0 HA VAL A 51 15.114 28.903 33.256 1.00 0.00 H new ATOM 0 HB VAL A 51 17.685 29.251 34.762 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.100 27.397 36.257 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.079 28.831 36.520 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.434 27.430 35.632 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.990 26.879 34.049 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.384 26.919 33.285 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.691 27.956 32.665 1.00 0.00 H new ATOM 777 N TRP A 52 13.920 29.629 35.396 1.00 0.00 N ATOM 778 CA TRP A 52 13.025 30.248 36.366 1.00 0.00 C ATOM 779 C TRP A 52 13.507 29.998 37.788 1.00 0.00 C ATOM 780 O TRP A 52 13.686 28.854 38.205 1.00 0.00 O ATOM 781 CB TRP A 52 11.619 29.692 36.176 1.00 0.00 C ATOM 782 CG TRP A 52 11.295 29.470 34.732 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.604 28.423 34.199 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.682 30.309 33.625 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.523 28.592 32.845 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.168 29.727 32.461 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.405 31.500 33.511 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.353 30.295 31.212 1.00 0.00 C ATOM 789 CZ3 TRP A 52 12.595 32.072 32.261 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.071 31.474 31.122 1.00 0.00 C ATOM 0 H TRP A 52 13.696 28.659 35.175 1.00 0.00 H new ATOM 0 HA TRP A 52 13.016 31.326 36.203 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.525 28.751 36.718 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.895 30.382 36.608 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.189 27.596 34.755 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.044 27.954 32.209 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.814 31.973 34.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.946 29.828 30.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.156 32.991 32.173 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.226 31.934 30.157 1.00 0.00 H new ATOM 801 N THR A 53 13.713 31.084 38.528 1.00 0.00 N ATOM 802 CA THR A 53 14.174 31.000 39.910 1.00 0.00 C ATOM 803 C THR A 53 13.083 31.474 40.861 1.00 0.00 C ATOM 804 O THR A 53 12.378 32.443 40.578 1.00 0.00 O ATOM 805 CB THR A 53 15.423 31.857 40.094 1.00 0.00 C ATOM 806 OG1 THR A 53 15.332 33.026 39.293 1.00 0.00 O ATOM 807 CG2 THR A 53 16.679 31.072 39.731 1.00 0.00 C ATOM 0 H THR A 53 13.567 32.036 38.192 1.00 0.00 H new ATOM 0 HA THR A 53 14.413 29.961 40.136 1.00 0.00 H new ATOM 0 HB THR A 53 15.490 32.145 41.143 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.405 33.342 39.280 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.556 31.704 39.870 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.758 30.195 40.373 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.622 30.755 38.690 1.00 0.00 H new ATOM 815 N PHE A 54 12.950 30.789 41.991 1.00 0.00 N ATOM 816 CA PHE A 54 11.945 31.143 42.987 1.00 0.00 C ATOM 817 C PHE A 54 12.609 31.457 44.322 1.00 0.00 C ATOM 818 O PHE A 54 13.616 30.849 44.683 1.00 0.00 O ATOM 819 CB PHE A 54 10.952 29.998 43.157 1.00 0.00 C ATOM 820 CG PHE A 54 9.896 30.287 44.194 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.997 31.322 43.997 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.825 29.518 45.344 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.027 31.588 44.950 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.855 29.784 46.296 1.00 0.00 C ATOM 825 CZ PHE A 54 7.956 30.819 46.099 1.00 0.00 C ATOM 0 H PHE A 54 13.526 29.985 42.241 1.00 0.00 H new ATOM 0 HA PHE A 54 11.412 32.030 42.644 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.470 29.797 42.200 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.492 29.094 43.438 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.052 31.922 43.101 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.526 28.711 45.498 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.326 32.395 44.796 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.800 29.184 47.192 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.200 31.026 46.842 1.00 0.00 H new ATOM 835 N ASP A 55 12.037 32.409 45.052 1.00 0.00 N ATOM 836 CA ASP A 55 12.572 32.806 46.351 1.00 0.00 C ATOM 837 C ASP A 55 11.973 31.945 47.456 1.00 0.00 C ATOM 838 O ASP A 55 10.935 32.281 48.025 1.00 0.00 O ATOM 839 CB ASP A 55 12.264 34.277 46.612 1.00 0.00 C ATOM 840 CG ASP A 55 10.761 34.517 46.564 1.00 0.00 C ATOM 841 OD1 ASP A 55 10.176 34.409 45.465 1.00 0.00 O ATOM 842 OD2 ASP A 55 10.170 34.811 47.624 1.00 0.00 O ATOM 0 H ASP A 55 11.202 32.921 44.766 1.00 0.00 H new ATOM 0 HA ASP A 55 13.653 32.663 46.344 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.655 34.571 47.586 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.763 34.898 45.868 1.00 0.00 H new ATOM 847 N SER A 56 12.634 30.832 47.755 1.00 0.00 N ATOM 848 CA SER A 56 12.168 29.918 48.793 1.00 0.00 C ATOM 849 C SER A 56 12.128 30.620 50.145 1.00 0.00 C ATOM 850 O SER A 56 13.168 30.946 50.717 1.00 0.00 O ATOM 851 CB SER A 56 13.086 28.702 48.868 1.00 0.00 C ATOM 852 OG SER A 56 12.353 27.547 49.243 1.00 0.00 O ATOM 0 H SER A 56 13.495 30.540 47.293 1.00 0.00 H new ATOM 0 HA SER A 56 11.160 29.591 48.539 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.563 28.539 47.901 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.882 28.884 49.590 1.00 0.00 H new ATOM 0 HG SER A 56 12.956 26.776 49.285 1.00 0.00 H new ATOM 858 N GLU A 57 10.920 30.849 50.652 1.00 0.00 N ATOM 859 CA GLU A 57 10.740 31.512 51.940 1.00 0.00 C ATOM 860 C GLU A 57 10.583 30.479 53.049 1.00 0.00 C ATOM 861 O GLU A 57 11.066 30.673 54.165 1.00 0.00 O ATOM 862 CB GLU A 57 9.509 32.413 51.892 1.00 0.00 C ATOM 863 CG GLU A 57 9.690 33.646 52.772 1.00 0.00 C ATOM 864 CD GLU A 57 8.333 34.189 53.200 1.00 0.00 C ATOM 865 OE1 GLU A 57 7.450 33.377 53.547 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.156 35.425 53.189 1.00 0.00 O ATOM 0 H GLU A 57 10.050 30.585 50.190 1.00 0.00 H new ATOM 0 HA GLU A 57 11.621 32.119 52.148 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.322 32.722 50.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.633 31.854 52.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.282 33.391 53.651 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.242 34.413 52.228 1.00 0.00 H new ATOM 873 N GLU A 58 9.905 29.380 52.734 1.00 0.00 N ATOM 874 CA GLU A 58 9.681 28.309 53.701 1.00 0.00 C ATOM 875 C GLU A 58 10.626 27.141 53.428 1.00 0.00 C ATOM 876 O GLU A 58 10.542 26.505 52.377 1.00 0.00 O ATOM 877 CB GLU A 58 8.233 27.833 53.617 1.00 0.00 C ATOM 878 CG GLU A 58 7.944 27.173 52.271 1.00 0.00 C ATOM 879 CD GLU A 58 6.469 27.313 51.921 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.639 26.628 52.554 1.00 0.00 O ATOM 881 OE2 GLU A 58 6.146 28.108 51.013 1.00 0.00 O ATOM 0 H GLU A 58 9.500 29.207 51.814 1.00 0.00 H new ATOM 0 HA GLU A 58 9.878 28.693 54.702 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.033 27.126 54.422 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.561 28.679 53.762 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.555 27.633 51.494 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.217 26.119 52.309 1.00 0.00 H new ATOM 888 N PRO A 59 11.538 26.835 54.370 1.00 0.00 N ATOM 889 CA PRO A 59 12.488 25.746 54.237 1.00 0.00 C ATOM 890 C PRO A 59 11.971 24.445 54.843 1.00 0.00 C ATOM 891 O PRO A 59 12.712 23.721 55.508 1.00 0.00 O ATOM 892 CB PRO A 59 13.695 26.271 55.001 1.00 0.00 C ATOM 893 CG PRO A 59 13.189 27.293 55.958 1.00 0.00 C ATOM 894 CD PRO A 59 11.736 27.502 55.656 1.00 0.00 C ATOM 0 HA PRO A 59 12.698 25.492 53.198 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.199 25.462 55.530 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.424 26.708 54.319 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.324 26.957 56.986 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.742 28.226 55.852 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.102 27.070 56.430 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.490 28.562 55.597 1.00 0.00 H new ATOM 902 N LEU A 60 10.697 24.152 54.604 1.00 0.00 N ATOM 903 CA LEU A 60 10.079 22.935 55.121 1.00 0.00 C ATOM 904 C LEU A 60 10.501 21.734 54.285 1.00 0.00 C ATOM 905 O LEU A 60 11.330 21.855 53.383 1.00 0.00 O ATOM 906 CB LEU A 60 8.559 23.072 55.101 1.00 0.00 C ATOM 907 CG LEU A 60 8.010 23.368 56.494 1.00 0.00 C ATOM 908 CD1 LEU A 60 8.192 24.844 56.838 1.00 0.00 C ATOM 909 CD2 LEU A 60 6.538 22.975 56.583 1.00 0.00 C ATOM 0 H LEU A 60 10.071 24.741 54.055 1.00 0.00 H new ATOM 0 HA LEU A 60 10.410 22.784 56.148 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.273 23.872 54.418 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.114 22.153 54.720 1.00 0.00 H new ATOM 0 HG LEU A 60 8.569 22.775 57.218 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.795 25.037 57.835 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.252 25.095 56.815 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.659 25.456 56.110 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.163 23.193 57.583 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.965 23.542 55.849 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.433 21.909 56.381 1.00 0.00 H new ATOM 921 N GLN A 61 9.926 20.574 54.587 1.00 0.00 N ATOM 922 CA GLN A 61 10.243 19.350 53.859 1.00 0.00 C ATOM 923 C GLN A 61 9.098 18.975 52.928 1.00 0.00 C ATOM 924 O GLN A 61 8.843 17.796 52.684 1.00 0.00 O ATOM 925 CB GLN A 61 10.509 18.212 54.841 1.00 0.00 C ATOM 926 CG GLN A 61 9.310 17.973 55.753 1.00 0.00 C ATOM 927 CD GLN A 61 9.605 16.835 56.720 1.00 0.00 C ATOM 928 OE1 GLN A 61 10.426 16.975 57.627 1.00 0.00 O ATOM 929 NE2 GLN A 61 8.937 15.704 56.526 1.00 0.00 N ATOM 0 H GLN A 61 9.238 20.456 55.331 1.00 0.00 H new ATOM 0 HA GLN A 61 11.138 19.522 53.261 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.737 17.300 54.290 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.386 18.447 55.444 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.079 18.882 56.309 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.431 17.733 55.155 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.266 15.633 55.761 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.095 14.906 57.142 1.00 0.00 H new ATOM 938 N GLY A 62 8.412 19.987 52.407 1.00 0.00 N ATOM 939 CA GLY A 62 7.293 19.767 51.497 1.00 0.00 C ATOM 940 C GLY A 62 7.774 19.741 50.050 1.00 0.00 C ATOM 941 O GLY A 62 8.800 20.336 49.720 1.00 0.00 O ATOM 0 H GLY A 62 8.611 20.969 52.599 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.800 18.825 51.739 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.552 20.556 51.625 1.00 0.00 H new ATOM 945 N PRO A 63 7.037 19.049 49.166 1.00 0.00 N ATOM 946 CA PRO A 63 7.394 18.949 47.747 1.00 0.00 C ATOM 947 C PRO A 63 6.987 20.192 46.966 1.00 0.00 C ATOM 948 O PRO A 63 6.271 21.052 47.479 1.00 0.00 O ATOM 949 CB PRO A 63 6.626 17.728 47.262 1.00 0.00 C ATOM 950 CG PRO A 63 5.458 17.589 48.187 1.00 0.00 C ATOM 951 CD PRO A 63 5.801 18.310 49.472 1.00 0.00 C ATOM 0 HA PRO A 63 8.471 18.862 47.603 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.296 17.857 46.231 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.253 16.836 47.286 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.561 18.015 47.737 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.248 16.537 48.383 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.000 18.985 49.773 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.952 17.608 50.292 1.00 0.00 H new ATOM 959 N PHE A 64 7.449 20.283 45.723 1.00 0.00 N ATOM 960 CA PHE A 64 7.136 21.424 44.870 1.00 0.00 C ATOM 961 C PHE A 64 6.169 21.019 43.766 1.00 0.00 C ATOM 962 O PHE A 64 6.174 19.877 43.307 1.00 0.00 O ATOM 963 CB PHE A 64 8.419 21.982 44.251 1.00 0.00 C ATOM 964 CG PHE A 64 9.333 22.681 45.239 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.922 22.926 46.544 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.592 23.085 44.830 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.770 23.569 47.430 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.439 23.728 45.716 1.00 0.00 C ATOM 969 CZ PHE A 64 11.028 23.970 47.016 1.00 0.00 C ATOM 0 H PHE A 64 8.042 19.579 45.284 1.00 0.00 H new ATOM 0 HA PHE A 64 6.666 22.193 45.483 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.967 21.166 43.781 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.152 22.684 43.461 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.940 22.614 46.867 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.915 22.898 43.816 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.450 23.757 48.444 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.421 24.041 45.393 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.689 24.472 47.707 1.00 0.00 H new ATOM 979 N ASN A 65 5.344 21.969 43.340 1.00 0.00 N ATOM 980 CA ASN A 65 4.370 21.728 42.282 1.00 0.00 C ATOM 981 C ASN A 65 4.411 22.868 41.273 1.00 0.00 C ATOM 982 O ASN A 65 4.651 24.020 41.636 1.00 0.00 O ATOM 983 CB ASN A 65 2.969 21.610 42.875 1.00 0.00 C ATOM 984 CG ASN A 65 2.989 20.708 44.102 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.776 19.500 44.001 1.00 0.00 O ATOM 986 ND2 ASN A 65 3.246 21.297 45.264 1.00 0.00 N ATOM 0 H ASN A 65 5.331 22.918 43.714 1.00 0.00 H new ATOM 0 HA ASN A 65 4.619 20.794 41.778 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.598 22.598 43.147 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.284 21.206 42.129 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.273 20.744 46.121 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.417 22.302 45.300 1.00 0.00 H new ATOM 993 N PHE A 66 4.180 22.546 40.005 1.00 0.00 N ATOM 994 CA PHE A 66 4.197 23.553 38.949 1.00 0.00 C ATOM 995 C PHE A 66 2.893 23.529 38.161 1.00 0.00 C ATOM 996 O PHE A 66 1.981 22.758 38.462 1.00 0.00 O ATOM 997 CB PHE A 66 5.364 23.302 37.999 1.00 0.00 C ATOM 998 CG PHE A 66 6.712 23.606 38.604 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.320 22.686 39.445 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.353 24.800 38.309 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.565 22.960 39.987 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.596 25.072 38.853 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.202 24.152 39.691 1.00 0.00 C ATOM 0 H PHE A 66 3.979 21.599 39.684 1.00 0.00 H new ATOM 0 HA PHE A 66 4.312 24.531 39.417 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.345 22.260 37.681 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.231 23.911 37.105 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.823 21.756 39.677 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.882 25.518 37.654 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.039 22.243 40.641 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.094 26.003 38.624 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.173 24.365 40.114 1.00 0.00 H new ATOM 1013 N ARG A 67 2.823 24.380 37.144 1.00 0.00 N ATOM 1014 CA ARG A 67 1.648 24.480 36.284 1.00 0.00 C ATOM 1015 C ARG A 67 1.887 25.544 35.223 1.00 0.00 C ATOM 1016 O ARG A 67 1.294 26.623 35.263 1.00 0.00 O ATOM 1017 CB ARG A 67 0.419 24.835 37.113 1.00 0.00 C ATOM 1018 CG ARG A 67 0.604 26.168 37.829 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.498 27.155 37.454 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.810 26.562 37.691 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.776 27.232 38.309 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.977 28.513 38.035 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.542 26.621 39.204 1.00 0.00 N ATOM 0 H ARG A 67 3.577 25.019 36.892 1.00 0.00 H new ATOM 0 HA ARG A 67 1.475 23.519 35.799 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.457 24.885 36.466 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.231 24.049 37.845 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.601 26.008 38.907 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.576 26.590 37.572 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.393 28.068 38.040 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.402 27.436 36.405 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.990 25.609 37.374 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.389 28.986 37.348 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.719 29.026 38.511 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.389 25.635 39.418 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.283 27.137 39.678 1.00 0.00 H new ATOM 1037 N PHE A 68 2.778 25.240 34.285 1.00 0.00 N ATOM 1038 CA PHE A 68 3.124 26.174 33.219 1.00 0.00 C ATOM 1039 C PHE A 68 1.997 26.305 32.209 1.00 0.00 C ATOM 1040 O PHE A 68 0.952 25.667 32.329 1.00 0.00 O ATOM 1041 CB PHE A 68 4.399 25.714 32.517 1.00 0.00 C ATOM 1042 CG PHE A 68 4.292 24.327 31.935 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.448 24.079 30.864 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.043 23.296 32.474 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.356 22.802 30.335 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.951 22.019 31.946 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.107 21.772 30.876 1.00 0.00 C ATOM 0 H PHE A 68 3.275 24.351 34.241 1.00 0.00 H new ATOM 0 HA PHE A 68 3.289 27.153 33.670 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.641 26.417 31.720 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.226 25.740 33.227 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.862 24.882 30.442 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.702 23.488 33.308 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.698 22.610 29.500 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.537 21.216 32.368 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.035 20.776 30.464 1.00 0.00 H new ATOM 1057 N LEU A 69 2.232 27.143 31.210 1.00 0.00 N ATOM 1058 CA LEU A 69 1.260 27.386 30.149 1.00 0.00 C ATOM 1059 C LEU A 69 1.986 27.525 28.820 1.00 0.00 C ATOM 1060 O LEU A 69 2.177 28.633 28.325 1.00 0.00 O ATOM 1061 CB LEU A 69 0.464 28.656 30.443 1.00 0.00 C ATOM 1062 CG LEU A 69 0.076 28.745 31.917 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.374 30.161 32.267 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.024 27.739 32.241 1.00 0.00 C ATOM 0 H LEU A 69 3.098 27.673 31.110 1.00 0.00 H new ATOM 0 HA LEU A 69 0.568 26.545 30.098 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.056 29.529 30.168 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.435 28.674 29.827 1.00 0.00 H new ATOM 0 HG LEU A 69 0.952 28.504 32.519 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.647 30.206 33.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.440 30.860 32.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.237 30.430 31.657 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.288 27.816 33.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.902 27.951 31.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.669 26.731 32.029 1.00 0.00 H new ATOM 1076 N THR A 70 2.403 26.390 28.259 1.00 0.00 N ATOM 1077 CA THR A 70 3.136 26.354 26.986 1.00 0.00 C ATOM 1078 C THR A 70 2.640 27.418 26.010 1.00 0.00 C ATOM 1079 O THR A 70 1.437 27.624 25.854 1.00 0.00 O ATOM 1080 CB THR A 70 2.998 24.977 26.343 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.686 24.813 25.828 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.308 23.872 27.347 1.00 0.00 C ATOM 0 H THR A 70 2.245 25.470 28.670 1.00 0.00 H new ATOM 0 HA THR A 70 4.183 26.561 27.209 1.00 0.00 H new ATOM 0 HB THR A 70 3.717 24.906 25.526 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.729 24.352 24.964 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.202 22.901 26.863 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.329 23.987 27.711 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.615 23.937 28.185 1.00 0.00 H new ATOM 1090 N GLU A 71 3.586 28.088 25.353 1.00 0.00 N ATOM 1091 CA GLU A 71 3.278 29.133 24.382 1.00 0.00 C ATOM 1092 C GLU A 71 2.107 28.729 23.489 1.00 0.00 C ATOM 1093 O GLU A 71 1.306 29.569 23.081 1.00 0.00 O ATOM 1094 CB GLU A 71 4.509 29.398 23.538 1.00 0.00 C ATOM 1095 CG GLU A 71 5.077 30.790 23.798 1.00 0.00 C ATOM 1096 CD GLU A 71 5.162 31.576 22.496 1.00 0.00 C ATOM 1097 OE1 GLU A 71 6.184 31.450 21.790 1.00 0.00 O ATOM 1098 OE2 GLU A 71 4.205 32.316 22.184 1.00 0.00 O ATOM 0 H GLU A 71 4.584 27.921 25.479 1.00 0.00 H new ATOM 0 HA GLU A 71 2.990 30.038 24.917 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.269 28.647 23.756 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.256 29.299 22.482 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.446 31.321 24.511 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.067 30.709 24.247 1.00 0.00 H new ATOM 1105 N LYS A 72 2.017 27.437 23.192 1.00 0.00 N ATOM 1106 CA LYS A 72 0.946 26.915 22.349 1.00 0.00 C ATOM 1107 C LYS A 72 -0.414 27.268 22.936 1.00 0.00 C ATOM 1108 O LYS A 72 -1.294 27.766 22.234 1.00 0.00 O ATOM 1109 CB LYS A 72 1.076 25.400 22.220 1.00 0.00 C ATOM 1110 CG LYS A 72 0.719 24.933 20.812 1.00 0.00 C ATOM 1111 CD LYS A 72 -0.771 24.631 20.688 1.00 0.00 C ATOM 1112 CE LYS A 72 -1.154 24.326 19.243 1.00 0.00 C ATOM 1113 NZ LYS A 72 -0.699 25.408 18.325 1.00 0.00 N ATOM 0 H LYS A 72 2.674 26.730 23.523 1.00 0.00 H new ATOM 0 HA LYS A 72 1.029 27.368 21.361 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.096 25.098 22.458 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.422 24.913 22.944 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.998 25.701 20.091 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.295 24.041 20.566 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.027 23.782 21.322 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.348 25.482 21.048 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.711 23.378 18.939 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.235 24.212 19.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.385 25.518 17.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.625 26.302 18.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.231 25.161 17.931 1.00 0.00 H new ATOM 1127 N GLY A 73 -0.581 27.007 24.229 1.00 0.00 N ATOM 1128 CA GLY A 73 -1.836 27.297 24.913 1.00 0.00 C ATOM 1129 C GLY A 73 -2.394 26.043 25.574 1.00 0.00 C ATOM 1130 O GLY A 73 -3.333 25.428 25.068 1.00 0.00 O ATOM 0 H GLY A 73 0.138 26.595 24.824 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.675 28.069 25.665 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.561 27.691 24.201 1.00 0.00 H new ATOM 1134 N MET A 74 -1.811 25.670 26.708 1.00 0.00 N ATOM 1135 CA MET A 74 -2.247 24.489 27.445 1.00 0.00 C ATOM 1136 C MET A 74 -1.581 24.449 28.815 1.00 0.00 C ATOM 1137 O MET A 74 -0.428 24.852 28.967 1.00 0.00 O ATOM 1138 CB MET A 74 -1.904 23.227 26.659 1.00 0.00 C ATOM 1139 CG MET A 74 -0.457 23.249 26.178 1.00 0.00 C ATOM 1140 SD MET A 74 0.044 21.689 25.433 1.00 0.00 S ATOM 1141 CE MET A 74 -1.292 21.432 24.255 1.00 0.00 C ATOM 0 H MET A 74 -1.033 26.170 27.138 1.00 0.00 H new ATOM 0 HA MET A 74 -3.327 24.538 27.581 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.068 22.350 27.286 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.573 23.136 25.803 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.331 24.052 25.452 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.199 23.474 27.019 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.002 20.664 23.538 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.189 21.113 24.786 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.495 22.363 23.727 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.316 23.967 29.813 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.796 23.883 31.176 1.00 0.00 C ATOM 1153 C LYS A 75 -1.604 22.430 31.589 1.00 0.00 C ATOM 1154 O LYS A 75 -1.899 21.510 30.826 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.754 24.573 32.146 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.311 25.867 31.556 1.00 0.00 C ATOM 1157 CD LYS A 75 -4.722 25.661 31.012 1.00 0.00 C ATOM 1158 CE LYS A 75 -5.127 26.800 30.080 1.00 0.00 C ATOM 1159 NZ LYS A 75 -6.593 26.781 29.809 1.00 0.00 N ATOM 0 H LYS A 75 -3.272 23.629 29.705 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.829 24.385 31.206 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.576 23.899 32.389 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.234 24.791 33.079 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.323 26.643 32.321 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.657 26.217 30.757 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.773 24.713 30.476 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.428 25.597 31.840 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.850 27.755 30.527 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.580 26.717 29.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.839 27.566 29.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.852 25.879 29.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.113 26.885 30.704 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.106 22.232 32.806 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.869 20.893 33.337 1.00 0.00 C ATOM 1175 C ASN A 76 -0.227 20.984 34.715 1.00 0.00 C ATOM 1176 O ASN A 76 0.780 21.668 34.896 1.00 0.00 O ATOM 1177 CB ASN A 76 0.036 20.108 32.394 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.735 18.961 31.755 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.690 18.770 30.540 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.446 18.195 32.575 1.00 0.00 N ATOM 0 H ASN A 76 -0.858 22.986 33.446 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.824 20.375 33.424 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.427 20.769 31.620 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.893 19.718 32.943 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.983 17.412 32.203 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.454 18.390 33.576 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.817 20.296 35.686 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.303 20.305 37.051 1.00 0.00 C ATOM 1189 C VAL A 77 0.726 19.200 37.246 1.00 0.00 C ATOM 1190 O VAL A 77 0.749 18.219 36.503 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.449 20.126 38.041 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.924 20.132 39.474 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.496 21.219 37.850 1.00 0.00 C ATOM 0 H VAL A 77 -1.652 19.725 35.554 1.00 0.00 H new ATOM 0 HA VAL A 77 0.181 21.265 37.230 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.920 19.161 37.852 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.756 20.003 40.167 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.213 19.316 39.605 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.428 21.081 39.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.306 21.076 38.565 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.037 22.194 38.012 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.893 21.169 36.836 1.00 0.00 H new ATOM 1203 N PHE A 78 1.575 19.367 38.254 1.00 0.00 N ATOM 1204 CA PHE A 78 2.612 18.388 38.560 1.00 0.00 C ATOM 1205 C PHE A 78 2.747 18.228 40.067 1.00 0.00 C ATOM 1206 O PHE A 78 3.084 19.178 40.774 1.00 0.00 O ATOM 1207 CB PHE A 78 3.941 18.829 37.957 1.00 0.00 C ATOM 1208 CG PHE A 78 3.830 19.172 36.494 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.719 18.161 35.553 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.835 20.496 36.089 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.613 18.475 34.208 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.730 20.810 34.744 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.619 19.800 33.804 1.00 0.00 C ATOM 0 H PHE A 78 1.565 20.175 38.876 1.00 0.00 H new ATOM 0 HA PHE A 78 2.332 17.428 38.127 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.313 19.697 38.502 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.675 18.034 38.085 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.715 17.128 35.868 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.921 21.284 36.822 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.526 17.687 33.475 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.735 21.843 34.429 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.537 20.045 32.755 1.00 0.00 H new ATOM 1223 N ASP A 79 2.471 17.024 40.555 1.00 0.00 N ATOM 1224 CA ASP A 79 2.551 16.742 41.985 1.00 0.00 C ATOM 1225 C ASP A 79 3.810 15.951 42.310 1.00 0.00 C ATOM 1226 O ASP A 79 4.308 15.185 41.485 1.00 0.00 O ATOM 1227 CB ASP A 79 1.318 15.960 42.428 1.00 0.00 C ATOM 1228 CG ASP A 79 0.504 16.777 43.424 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.108 17.362 44.347 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.735 16.831 43.279 1.00 0.00 O ATOM 0 H ASP A 79 2.190 16.228 39.983 1.00 0.00 H new ATOM 0 HA ASP A 79 2.591 17.690 42.522 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.704 15.714 41.561 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.621 15.017 42.882 1.00 0.00 H new ATOM 1235 N ASP A 80 4.319 16.141 43.524 1.00 0.00 N ATOM 1236 CA ASP A 80 5.520 15.446 43.974 1.00 0.00 C ATOM 1237 C ASP A 80 6.641 15.597 42.954 1.00 0.00 C ATOM 1238 O ASP A 80 7.180 14.606 42.460 1.00 0.00 O ATOM 1239 CB ASP A 80 5.213 13.968 44.195 1.00 0.00 C ATOM 1240 CG ASP A 80 3.974 13.811 45.067 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.913 14.355 44.698 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.067 13.143 46.119 1.00 0.00 O ATOM 0 H ASP A 80 3.916 16.773 44.216 1.00 0.00 H new ATOM 0 HA ASP A 80 5.846 15.890 44.915 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.056 13.475 43.236 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.064 13.480 44.669 1.00 0.00 H new ATOM 1247 N VAL A 81 6.992 16.841 42.644 1.00 0.00 N ATOM 1248 CA VAL A 81 8.055 17.119 41.685 1.00 0.00 C ATOM 1249 C VAL A 81 9.410 17.078 42.385 1.00 0.00 C ATOM 1250 O VAL A 81 10.122 16.076 42.317 1.00 0.00 O ATOM 1251 CB VAL A 81 7.824 18.485 41.027 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.030 18.909 40.188 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.572 18.449 40.158 1.00 0.00 C ATOM 0 H VAL A 81 6.556 17.672 43.043 1.00 0.00 H new ATOM 0 HA VAL A 81 8.045 16.356 40.906 1.00 0.00 H new ATOM 0 HB VAL A 81 7.688 19.219 41.821 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.835 19.881 39.735 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.911 18.976 40.826 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.205 18.172 39.404 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.421 19.425 39.697 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.691 17.695 39.380 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.708 18.201 40.775 1.00 0.00 H new ATOM 1263 N VAL A 82 9.762 18.169 43.057 1.00 0.00 N ATOM 1264 CA VAL A 82 11.034 18.252 43.766 1.00 0.00 C ATOM 1265 C VAL A 82 10.931 17.577 45.131 1.00 0.00 C ATOM 1266 O VAL A 82 9.926 17.719 45.828 1.00 0.00 O ATOM 1267 CB VAL A 82 11.440 19.713 43.945 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.785 19.814 44.661 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.500 20.425 42.596 1.00 0.00 C ATOM 0 H VAL A 82 9.185 19.007 43.126 1.00 0.00 H new ATOM 0 HA VAL A 82 11.792 17.737 43.175 1.00 0.00 H new ATOM 0 HB VAL A 82 10.685 20.203 44.559 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.057 20.863 44.779 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.711 19.346 45.643 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.549 19.305 44.073 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.791 21.465 42.746 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.232 19.932 41.957 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.520 20.388 42.121 1.00 0.00 H new ATOM 1279 N PRO A 83 11.979 16.836 45.534 1.00 0.00 N ATOM 1280 CA PRO A 83 12.010 16.141 46.833 1.00 0.00 C ATOM 1281 C PRO A 83 12.120 17.115 48.000 1.00 0.00 C ATOM 1282 O PRO A 83 11.942 18.322 47.833 1.00 0.00 O ATOM 1283 CB PRO A 83 13.254 15.265 46.752 1.00 0.00 C ATOM 1284 CG PRO A 83 14.136 15.941 45.756 1.00 0.00 C ATOM 1285 CD PRO A 83 13.221 16.618 44.770 1.00 0.00 C ATOM 0 HA PRO A 83 11.095 15.576 47.011 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.744 15.184 47.722 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.004 14.252 46.435 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.787 16.667 46.243 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.781 15.219 45.255 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.642 17.558 44.414 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.047 15.995 43.893 1.00 0.00 H new ATOM 1293 N GLU A 84 12.421 16.585 49.181 1.00 0.00 N ATOM 1294 CA GLU A 84 12.562 17.408 50.377 1.00 0.00 C ATOM 1295 C GLU A 84 13.923 18.092 50.386 1.00 0.00 C ATOM 1296 O GLU A 84 14.084 19.168 50.962 1.00 0.00 O ATOM 1297 CB GLU A 84 12.409 16.544 51.625 1.00 0.00 C ATOM 1298 CG GLU A 84 13.513 15.495 51.709 1.00 0.00 C ATOM 1299 CD GLU A 84 12.959 14.190 52.264 1.00 0.00 C ATOM 1300 OE1 GLU A 84 12.648 14.142 53.473 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.837 13.218 51.489 1.00 0.00 O ATOM 0 H GLU A 84 12.572 15.588 49.336 1.00 0.00 H new ATOM 0 HA GLU A 84 11.783 18.170 50.373 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.436 17.175 52.513 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.436 16.052 51.613 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.940 15.326 50.720 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.320 15.856 52.347 1.00 0.00 H new ATOM 1308 N LYS A 85 14.900 17.460 49.743 1.00 0.00 N ATOM 1309 CA LYS A 85 16.252 18.005 49.673 1.00 0.00 C ATOM 1310 C LYS A 85 16.829 17.806 48.278 1.00 0.00 C ATOM 1311 O LYS A 85 17.646 16.912 48.055 1.00 0.00 O ATOM 1312 CB LYS A 85 17.141 17.321 50.707 1.00 0.00 C ATOM 1313 CG LYS A 85 16.762 17.737 52.126 1.00 0.00 C ATOM 1314 CD LYS A 85 17.969 18.286 52.881 1.00 0.00 C ATOM 1315 CE LYS A 85 18.413 19.630 52.312 1.00 0.00 C ATOM 1316 NZ LYS A 85 19.888 19.671 52.107 1.00 0.00 N ATOM 0 H LYS A 85 14.781 16.568 49.262 1.00 0.00 H new ATOM 0 HA LYS A 85 16.212 19.073 49.887 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.053 16.239 50.607 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.184 17.575 50.518 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.978 18.493 52.089 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.353 16.880 52.662 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.720 18.400 53.936 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.792 17.574 52.823 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.907 19.811 51.364 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.116 20.430 52.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.159 20.597 51.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.369 19.522 53.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.167 18.922 51.441 1.00 0.00 H new ATOM 1330 N TYR A 86 16.398 18.644 47.339 1.00 0.00 N ATOM 1331 CA TYR A 86 16.871 18.560 45.960 1.00 0.00 C ATOM 1332 C TYR A 86 18.393 18.535 45.918 1.00 0.00 C ATOM 1333 O TYR A 86 19.058 18.936 46.874 1.00 0.00 O ATOM 1334 CB TYR A 86 16.346 19.747 45.156 1.00 0.00 C ATOM 1335 CG TYR A 86 16.966 21.059 45.569 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.242 21.387 45.143 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.260 21.937 46.373 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.810 22.592 45.522 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.830 23.141 46.751 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.102 23.463 46.324 1.00 0.00 C ATOM 1341 OH TYR A 86 18.667 24.660 46.699 1.00 0.00 O ATOM 0 H TYR A 86 15.722 19.389 47.508 1.00 0.00 H new ATOM 0 HA TYR A 86 16.497 17.636 45.520 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.541 19.577 44.097 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.264 19.809 45.275 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.794 20.703 44.515 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.264 21.683 46.706 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.805 22.849 45.190 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.280 23.827 47.379 1.00 0.00 H new ATOM 0 HH TYR A 86 18.037 25.157 47.262 1.00 0.00 H new ATOM 1351 N THR A 87 18.939 18.061 44.803 1.00 0.00 N ATOM 1352 CA THR A 87 20.386 17.982 44.630 1.00 0.00 C ATOM 1353 C THR A 87 20.777 18.461 43.237 1.00 0.00 C ATOM 1354 O THR A 87 20.470 17.810 42.238 1.00 0.00 O ATOM 1355 CB THR A 87 20.858 16.546 44.837 1.00 0.00 C ATOM 1356 OG1 THR A 87 20.221 15.986 45.975 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.373 16.492 45.008 1.00 0.00 C ATOM 0 H THR A 87 18.401 17.725 44.004 1.00 0.00 H new ATOM 0 HA THR A 87 20.863 18.624 45.370 1.00 0.00 H new ATOM 0 HB THR A 87 20.591 15.966 43.954 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.528 15.064 46.101 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.686 15.458 45.154 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.854 16.894 44.117 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.663 17.085 45.876 1.00 0.00 H new ATOM 1365 N ILE A 88 21.456 19.603 43.178 1.00 0.00 N ATOM 1366 CA ILE A 88 21.891 20.173 41.906 1.00 0.00 C ATOM 1367 C ILE A 88 22.617 19.124 41.071 1.00 0.00 C ATOM 1368 O ILE A 88 23.684 18.644 41.451 1.00 0.00 O ATOM 1369 CB ILE A 88 22.806 21.369 42.158 1.00 0.00 C ATOM 1370 CG1 ILE A 88 22.066 22.448 42.945 1.00 0.00 C ATOM 1371 CG2 ILE A 88 23.329 21.938 40.842 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.680 22.644 44.328 1.00 0.00 C ATOM 0 H ILE A 88 21.717 20.153 43.997 1.00 0.00 H new ATOM 0 HA ILE A 88 21.012 20.506 41.354 1.00 0.00 H new ATOM 0 HB ILE A 88 23.658 21.029 42.746 1.00 0.00 H new ATOM 0 HG12 ILE A 88 22.097 23.388 42.394 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.016 22.172 43.046 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.979 22.789 41.046 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.893 21.170 40.312 1.00 0.00 H new ATOM 0 HG23 ILE A 88 22.490 22.262 40.226 1.00 0.00 H new ATOM 0 HD11 ILE A 88 22.131 23.419 44.863 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.626 21.709 44.886 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.723 22.944 44.224 1.00 0.00 H new ATOM 1384 N GLY A 89 22.028 18.773 39.932 1.00 0.00 N ATOM 1385 CA GLY A 89 22.614 17.780 39.040 1.00 0.00 C ATOM 1386 C GLY A 89 21.733 16.541 38.964 1.00 0.00 C ATOM 1387 O GLY A 89 22.230 15.416 38.916 1.00 0.00 O ATOM 0 H GLY A 89 21.144 19.163 39.605 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.738 18.206 38.044 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.607 17.505 39.395 1.00 0.00 H new ATOM 1391 N ALA A 90 20.421 16.753 38.956 1.00 0.00 N ATOM 1392 CA ALA A 90 19.468 15.650 38.888 1.00 0.00 C ATOM 1393 C ALA A 90 18.139 16.128 38.318 1.00 0.00 C ATOM 1394 O ALA A 90 17.993 17.293 37.949 1.00 0.00 O ATOM 1395 CB ALA A 90 19.252 15.062 40.279 1.00 0.00 C ATOM 0 H ALA A 90 19.993 17.678 38.996 1.00 0.00 H new ATOM 0 HA ALA A 90 19.874 14.881 38.231 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.539 14.239 40.220 1.00 0.00 H new ATOM 0 HB2 ALA A 90 20.200 14.693 40.669 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.862 15.833 40.943 1.00 0.00 H new ATOM 1401 N THR A 91 17.171 15.219 38.249 1.00 0.00 N ATOM 1402 CA THR A 91 15.849 15.544 37.723 1.00 0.00 C ATOM 1403 C THR A 91 14.768 15.136 38.715 1.00 0.00 C ATOM 1404 O THR A 91 14.881 14.109 39.385 1.00 0.00 O ATOM 1405 CB THR A 91 15.628 14.828 36.393 1.00 0.00 C ATOM 1406 OG1 THR A 91 16.615 15.231 35.455 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.234 15.119 35.843 1.00 0.00 C ATOM 0 H THR A 91 17.277 14.251 38.551 1.00 0.00 H new ATOM 0 HA THR A 91 15.792 16.621 37.565 1.00 0.00 H new ATOM 0 HB THR A 91 15.711 13.755 36.563 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.468 14.766 34.605 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.101 14.598 34.895 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.483 14.776 36.555 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.121 16.192 35.686 1.00 0.00 H new ATOM 1415 N TYR A 92 13.718 15.945 38.801 1.00 0.00 N ATOM 1416 CA TYR A 92 12.609 15.670 39.708 1.00 0.00 C ATOM 1417 C TYR A 92 11.294 16.108 39.076 1.00 0.00 C ATOM 1418 O TYR A 92 11.164 17.242 38.615 1.00 0.00 O ATOM 1419 CB TYR A 92 12.818 16.402 41.033 1.00 0.00 C ATOM 1420 CG TYR A 92 14.261 16.425 41.478 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.798 15.338 42.146 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.049 17.535 41.221 1.00 0.00 C ATOM 1423 CE1 TYR A 92 16.121 15.361 42.557 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.372 17.556 41.631 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.902 16.470 42.297 1.00 0.00 C ATOM 1426 OH TYR A 92 18.218 16.496 42.706 1.00 0.00 O ATOM 0 H TYR A 92 13.611 16.798 38.253 1.00 0.00 H new ATOM 0 HA TYR A 92 12.571 14.597 39.898 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.458 17.426 40.936 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.214 15.924 41.804 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.185 14.472 42.347 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.632 18.384 40.701 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.540 14.514 43.079 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.987 18.420 41.430 1.00 0.00 H new ATOM 0 HH TYR A 92 18.676 17.253 42.285 1.00 0.00 H new ATOM 1436 N ALA A 93 10.320 15.203 39.055 1.00 0.00 N ATOM 1437 CA ALA A 93 9.011 15.496 38.476 1.00 0.00 C ATOM 1438 C ALA A 93 8.127 14.253 38.503 1.00 0.00 C ATOM 1439 O ALA A 93 8.551 13.190 38.955 1.00 0.00 O ATOM 1440 CB ALA A 93 9.175 15.988 37.041 1.00 0.00 C ATOM 0 H ALA A 93 10.412 14.260 39.432 1.00 0.00 H new ATOM 0 HA ALA A 93 8.534 16.276 39.069 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.195 16.204 36.616 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.781 16.894 37.034 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.666 15.218 36.446 1.00 0.00 H new ATOM 1446 N PRO A 94 6.877 14.372 38.018 1.00 0.00 N ATOM 1447 CA PRO A 94 5.929 13.251 37.990 1.00 0.00 C ATOM 1448 C PRO A 94 6.210 12.288 36.841 1.00 0.00 C ATOM 1449 O PRO A 94 6.477 11.099 37.113 1.00 0.00 O ATOM 1450 CB PRO A 94 4.574 13.921 37.814 1.00 0.00 C ATOM 1451 CG PRO A 94 4.853 15.233 37.154 1.00 0.00 C ATOM 1452 CD PRO A 94 6.287 15.602 37.462 1.00 0.00 C ATOM 0 HA PRO A 94 5.993 12.643 38.893 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.911 13.309 37.203 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.080 14.064 38.775 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.699 15.161 36.077 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.172 16.000 37.523 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.815 15.924 36.564 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.340 16.424 38.175 1.00 0.00 H new