USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 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 43 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.561) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.0473 (180deg=-1.69) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.7!) USER MOD Single : A 34 CYS SG : rot -31:sc= -5.17! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 56:sc= 1.17 USER MOD Single : A 49 SER OG : rot -58:sc= 0.22 USER MOD Single : A 54 THR OG1 : rot 106:sc= -2.95! USER MOD Single : A 61 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.91! C(o=-5.2!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.232 -1.231 0.160 1.00 0.00 N ATOM 2 CA MET A 23 -3.989 0.180 0.410 1.00 0.00 C ATOM 3 C MET A 23 -2.854 0.705 -0.471 1.00 0.00 C ATOM 4 O MET A 23 -1.685 0.410 -0.226 1.00 0.00 O ATOM 5 CB MET A 23 -3.628 0.383 1.883 1.00 0.00 C ATOM 6 CG MET A 23 -2.585 -0.639 2.338 1.00 0.00 C ATOM 7 SD MET A 23 -3.334 -1.827 3.439 1.00 0.00 S ATOM 8 CE MET A 23 -3.043 -1.025 5.006 1.00 0.00 C ATOM 0 HA MET A 23 -4.896 0.734 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.242 1.392 2.031 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.524 0.291 2.497 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.162 -1.149 1.473 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.763 -0.132 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.766 -1.385 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.034 -1.253 5.349 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.152 0.053 4.889 1.00 0.00 H new ATOM 18 N SER A 24 -3.238 1.475 -1.479 1.00 0.00 N ATOM 19 CA SER A 24 -2.266 2.044 -2.398 1.00 0.00 C ATOM 20 C SER A 24 -1.990 3.503 -2.029 1.00 0.00 C ATOM 21 O SER A 24 -2.824 4.376 -2.265 1.00 0.00 O ATOM 22 CB SER A 24 -2.754 1.946 -3.845 1.00 0.00 C ATOM 23 OG SER A 24 -2.771 0.600 -4.312 1.00 0.00 O ATOM 0 H SER A 24 -4.208 1.718 -1.679 1.00 0.00 H new ATOM 0 HA SER A 24 -1.341 1.473 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.756 2.368 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.108 2.544 -4.487 1.00 0.00 H new ATOM 0 HG SER A 24 -3.090 0.579 -5.238 1.00 0.00 H new ATOM 29 N ILE A 25 -0.815 3.722 -1.456 1.00 0.00 N ATOM 30 CA ILE A 25 -0.418 5.060 -1.052 1.00 0.00 C ATOM 31 C ILE A 25 -0.561 6.011 -2.242 1.00 0.00 C ATOM 32 O ILE A 25 -0.279 5.636 -3.379 1.00 0.00 O ATOM 33 CB ILE A 25 0.986 5.042 -0.445 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.002 4.459 -1.430 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.995 4.301 0.894 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.540 5.541 -2.368 1.00 0.00 C ATOM 0 H ILE A 25 -0.126 2.996 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.075 5.431 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 25 1.285 6.071 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.827 4.006 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.534 3.666 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.005 4.303 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.320 4.799 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.667 3.273 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.260 5.100 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.715 5.975 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.029 6.320 -1.783 1.00 0.00 H new ATOM 48 N GLU A 26 -1.000 7.224 -1.940 1.00 0.00 N ATOM 49 CA GLU A 26 -1.184 8.232 -2.971 1.00 0.00 C ATOM 50 C GLU A 26 -0.128 9.331 -2.834 1.00 0.00 C ATOM 51 O GLU A 26 0.525 9.443 -1.797 1.00 0.00 O ATOM 52 CB GLU A 26 -2.596 8.819 -2.918 1.00 0.00 C ATOM 53 CG GLU A 26 -3.126 9.101 -4.325 1.00 0.00 C ATOM 54 CD GLU A 26 -3.459 10.584 -4.498 1.00 0.00 C ATOM 55 OE1 GLU A 26 -4.629 10.938 -4.235 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.536 11.331 -4.891 1.00 0.00 O ATOM 0 H GLU A 26 -1.234 7.532 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.060 7.756 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.263 8.125 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.589 9.741 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.382 8.803 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.017 8.501 -4.509 1.00 0.00 H new ATOM 63 N ILE A 27 0.006 10.113 -3.894 1.00 0.00 N ATOM 64 CA ILE A 27 0.972 11.199 -3.905 1.00 0.00 C ATOM 65 C ILE A 27 0.392 12.383 -4.682 1.00 0.00 C ATOM 66 O ILE A 27 -0.242 12.198 -5.720 1.00 0.00 O ATOM 67 CB ILE A 27 2.320 10.712 -4.441 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.475 11.275 -3.610 1.00 0.00 C ATOM 69 CG2 ILE A 27 2.470 11.040 -5.927 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.829 12.695 -4.055 1.00 0.00 C ATOM 0 H ILE A 27 -0.538 10.017 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 27 1.166 11.547 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 27 2.354 9.627 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.201 11.278 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.348 10.630 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.437 10.683 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.674 10.552 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.407 12.119 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.653 13.072 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.126 12.684 -5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.961 13.342 -3.930 1.00 0.00 H new ATOM 82 N ASP A 28 0.632 13.573 -4.151 1.00 0.00 N ATOM 83 CA ASP A 28 0.142 14.787 -4.782 1.00 0.00 C ATOM 84 C ASP A 28 1.305 15.763 -4.970 1.00 0.00 C ATOM 85 O ASP A 28 1.578 16.584 -4.096 1.00 0.00 O ATOM 86 CB ASP A 28 -0.914 15.471 -3.913 1.00 0.00 C ATOM 87 CG ASP A 28 -2.314 15.539 -4.528 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.973 16.581 -4.325 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.692 14.547 -5.187 1.00 0.00 O ATOM 0 H ASP A 28 1.159 13.722 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.301 14.515 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.977 14.943 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.581 16.485 -3.693 1.00 0.00 H new ATOM 94 N SER A 29 1.957 15.642 -6.117 1.00 0.00 N ATOM 95 CA SER A 29 3.084 16.504 -6.432 1.00 0.00 C ATOM 96 C SER A 29 2.588 17.913 -6.763 1.00 0.00 C ATOM 97 O SER A 29 3.205 18.901 -6.366 1.00 0.00 O ATOM 98 CB SER A 29 3.900 15.941 -7.597 1.00 0.00 C ATOM 99 OG SER A 29 3.142 15.887 -8.802 1.00 0.00 O ATOM 0 H SER A 29 1.727 14.960 -6.840 1.00 0.00 H new ATOM 0 HA SER A 29 3.734 16.550 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.784 16.559 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.251 14.940 -7.344 1.00 0.00 H new ATOM 0 HG SER A 29 3.698 15.524 -9.522 1.00 0.00 H new ATOM 105 N GLU A 30 1.480 17.961 -7.487 1.00 0.00 N ATOM 106 CA GLU A 30 0.895 19.233 -7.875 1.00 0.00 C ATOM 107 C GLU A 30 0.775 20.156 -6.661 1.00 0.00 C ATOM 108 O GLU A 30 1.212 21.305 -6.705 1.00 0.00 O ATOM 109 CB GLU A 30 -0.466 19.029 -8.545 1.00 0.00 C ATOM 110 CG GLU A 30 -0.370 19.238 -10.057 1.00 0.00 C ATOM 111 CD GLU A 30 -1.617 18.704 -10.765 1.00 0.00 C ATOM 112 OE1 GLU A 30 -2.646 19.411 -10.712 1.00 0.00 O ATOM 113 OE2 GLU A 30 -1.513 17.600 -11.343 1.00 0.00 O ATOM 0 H GLU A 30 0.972 17.140 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 30 1.555 19.706 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.831 18.023 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.191 19.725 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.251 20.299 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.516 18.733 -10.442 1.00 0.00 H new ATOM 120 N GLN A 31 0.181 19.618 -5.605 1.00 0.00 N ATOM 121 CA GLN A 31 -0.001 20.379 -4.381 1.00 0.00 C ATOM 122 C GLN A 31 1.201 20.188 -3.454 1.00 0.00 C ATOM 123 O GLN A 31 1.508 21.061 -2.643 1.00 0.00 O ATOM 124 CB GLN A 31 -1.303 19.986 -3.680 1.00 0.00 C ATOM 125 CG GLN A 31 -2.466 20.861 -4.153 1.00 0.00 C ATOM 126 CD GLN A 31 -2.943 21.790 -3.034 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.261 22.018 -2.049 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.149 22.311 -3.242 1.00 0.00 N ATOM 0 H GLN A 31 -0.180 18.665 -5.572 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.071 21.436 -4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.526 18.938 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.184 20.085 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.154 21.453 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.291 20.229 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.666 22.077 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.557 22.944 -2.554 1.00 0.00 H new ATOM 137 N GLY A 32 1.848 19.042 -3.604 1.00 0.00 N ATOM 138 CA GLY A 32 3.009 18.726 -2.790 1.00 0.00 C ATOM 139 C GLY A 32 2.595 18.031 -1.491 1.00 0.00 C ATOM 140 O GLY A 32 3.324 18.073 -0.501 1.00 0.00 O ATOM 0 H GLY A 32 1.590 18.321 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.687 18.082 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.556 19.640 -2.559 1.00 0.00 H new ATOM 144 N VAL A 33 1.427 17.407 -1.537 1.00 0.00 N ATOM 145 CA VAL A 33 0.907 16.704 -0.376 1.00 0.00 C ATOM 146 C VAL A 33 0.905 15.200 -0.656 1.00 0.00 C ATOM 147 O VAL A 33 0.977 14.779 -1.809 1.00 0.00 O ATOM 148 CB VAL A 33 -0.476 17.247 -0.012 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.235 16.260 0.876 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.367 18.618 0.660 1.00 0.00 C ATOM 0 H VAL A 33 0.826 17.374 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 33 1.545 16.872 0.491 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.042 17.371 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.215 16.670 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.359 15.315 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.673 16.091 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.364 18.982 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.225 18.531 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.116 19.319 -0.020 1.00 0.00 H new ATOM 160 N CYS A 34 0.820 14.431 0.420 1.00 0.00 N ATOM 161 CA CYS A 34 0.807 12.983 0.305 1.00 0.00 C ATOM 162 C CYS A 34 -0.413 12.452 1.061 1.00 0.00 C ATOM 163 O CYS A 34 -0.775 12.980 2.111 1.00 0.00 O ATOM 164 CB CYS A 34 2.109 12.363 0.817 1.00 0.00 C ATOM 165 SG CYS A 34 2.681 13.252 2.311 1.00 0.00 S ATOM 0 H CYS A 34 0.759 14.784 1.375 1.00 0.00 H new ATOM 0 HA CYS A 34 0.735 12.700 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.953 11.309 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.873 12.410 0.041 1.00 0.00 H new ATOM 0 HG CYS A 34 2.309 14.496 2.245 1.00 0.00 H new ATOM 171 N SER A 35 -1.013 11.415 0.496 1.00 0.00 N ATOM 172 CA SER A 35 -2.185 10.807 1.103 1.00 0.00 C ATOM 173 C SER A 35 -2.225 9.311 0.782 1.00 0.00 C ATOM 174 O SER A 35 -1.996 8.912 -0.358 1.00 0.00 O ATOM 175 CB SER A 35 -3.469 11.487 0.624 1.00 0.00 C ATOM 176 OG SER A 35 -4.635 10.781 1.041 1.00 0.00 O ATOM 0 H SER A 35 -0.710 10.980 -0.375 1.00 0.00 H new ATOM 0 HA SER A 35 -2.117 10.939 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.505 12.506 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.458 11.558 -0.464 1.00 0.00 H new ATOM 0 HG SER A 35 -5.433 11.248 0.717 1.00 0.00 H new ATOM 182 N VAL A 36 -2.516 8.526 1.809 1.00 0.00 N ATOM 183 CA VAL A 36 -2.588 7.083 1.650 1.00 0.00 C ATOM 184 C VAL A 36 -4.051 6.664 1.495 1.00 0.00 C ATOM 185 O VAL A 36 -4.956 7.392 1.903 1.00 0.00 O ATOM 186 CB VAL A 36 -1.890 6.393 2.824 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.085 4.876 2.761 1.00 0.00 C ATOM 188 CG2 VAL A 36 -0.404 6.753 2.867 1.00 0.00 C ATOM 0 H VAL A 36 -2.705 8.861 2.754 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.063 6.771 0.747 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.348 6.753 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.579 4.409 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.149 4.644 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.665 4.494 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.068 6.249 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.074 6.435 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.294 7.831 2.980 1.00 0.00 H new ATOM 198 N GLU A 37 -4.239 5.494 0.903 1.00 0.00 N ATOM 199 CA GLU A 37 -5.577 4.969 0.689 1.00 0.00 C ATOM 200 C GLU A 37 -5.806 3.729 1.555 1.00 0.00 C ATOM 201 O GLU A 37 -4.956 2.842 1.614 1.00 0.00 O ATOM 202 CB GLU A 37 -5.812 4.656 -0.790 1.00 0.00 C ATOM 203 CG GLU A 37 -5.939 5.941 -1.610 1.00 0.00 C ATOM 204 CD GLU A 37 -5.291 5.779 -2.987 1.00 0.00 C ATOM 205 OE1 GLU A 37 -4.139 6.241 -3.130 1.00 0.00 O ATOM 206 OE2 GLU A 37 -5.964 5.198 -3.865 1.00 0.00 O ATOM 0 H GLU A 37 -3.487 4.894 0.565 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.297 5.732 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.987 4.056 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.718 4.060 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.991 6.199 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.466 6.765 -1.076 1.00 0.00 H new ATOM 213 N ILE A 38 -6.960 3.708 2.207 1.00 0.00 N ATOM 214 CA ILE A 38 -7.312 2.591 3.068 1.00 0.00 C ATOM 215 C ILE A 38 -8.820 2.607 3.325 1.00 0.00 C ATOM 216 O ILE A 38 -9.277 3.167 4.321 1.00 0.00 O ATOM 217 CB ILE A 38 -6.470 2.613 4.345 1.00 0.00 C ATOM 218 CG1 ILE A 38 -5.631 3.891 4.428 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.608 1.354 4.456 1.00 0.00 C ATOM 220 CD1 ILE A 38 -5.099 4.107 5.845 1.00 0.00 C ATOM 0 H ILE A 38 -7.662 4.446 2.156 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.082 1.645 2.578 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.147 2.616 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.797 3.829 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.236 4.747 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.020 1.396 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.251 0.474 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.939 1.294 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.507 5.021 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.935 4.193 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.475 3.261 6.132 1.00 0.00 H new ATOM 232 N GLU A 39 -9.551 1.987 2.411 1.00 0.00 N ATOM 233 CA GLU A 39 -10.997 1.923 2.526 1.00 0.00 C ATOM 234 C GLU A 39 -11.540 3.222 3.126 1.00 0.00 C ATOM 235 O GLU A 39 -12.270 3.196 4.115 1.00 0.00 O ATOM 236 CB GLU A 39 -11.428 0.713 3.359 1.00 0.00 C ATOM 237 CG GLU A 39 -10.825 0.771 4.763 1.00 0.00 C ATOM 238 CD GLU A 39 -11.372 -0.355 5.642 1.00 0.00 C ATOM 239 OE1 GLU A 39 -10.630 -1.344 5.824 1.00 0.00 O ATOM 240 OE2 GLU A 39 -12.520 -0.201 6.112 1.00 0.00 O ATOM 0 H GLU A 39 -9.168 1.524 1.587 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.416 1.804 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.515 0.683 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.114 -0.205 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.740 0.693 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.049 1.735 5.219 1.00 0.00 H new ATOM 247 N GLY A 40 -11.163 4.327 2.500 1.00 0.00 N ATOM 248 CA GLY A 40 -11.603 5.634 2.960 1.00 0.00 C ATOM 249 C GLY A 40 -10.651 6.732 2.482 1.00 0.00 C ATOM 250 O GLY A 40 -11.089 7.819 2.107 1.00 0.00 O ATOM 0 H GLY A 40 -10.558 4.345 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.609 5.834 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.656 5.642 4.049 1.00 0.00 H new ATOM 254 N SER A 41 -9.366 6.410 2.510 1.00 0.00 N ATOM 255 CA SER A 41 -8.348 7.356 2.084 1.00 0.00 C ATOM 256 C SER A 41 -8.747 8.775 2.496 1.00 0.00 C ATOM 257 O SER A 41 -9.406 9.483 1.737 1.00 0.00 O ATOM 258 CB SER A 41 -8.128 7.285 0.571 1.00 0.00 C ATOM 259 OG SER A 41 -9.183 7.912 -0.152 1.00 0.00 O ATOM 0 H SER A 41 -9.006 5.508 2.821 1.00 0.00 H new ATOM 0 HA SER A 41 -7.410 7.092 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.182 7.764 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.049 6.242 0.265 1.00 0.00 H new ATOM 0 HG SER A 41 -9.280 8.839 0.150 1.00 0.00 H new ATOM 265 N ARG A 42 -8.329 9.147 3.697 1.00 0.00 N ATOM 266 CA ARG A 42 -8.635 10.468 4.219 1.00 0.00 C ATOM 267 C ARG A 42 -7.448 11.010 5.018 1.00 0.00 C ATOM 268 O ARG A 42 -7.615 11.476 6.145 1.00 0.00 O ATOM 269 CB ARG A 42 -9.873 10.433 5.117 1.00 0.00 C ATOM 270 CG ARG A 42 -9.704 9.411 6.244 1.00 0.00 C ATOM 271 CD ARG A 42 -11.010 8.656 6.499 1.00 0.00 C ATOM 272 NE ARG A 42 -11.707 9.232 7.671 1.00 0.00 N ATOM 273 CZ ARG A 42 -12.969 8.940 8.013 1.00 0.00 C ATOM 274 NH1 ARG A 42 -13.680 8.077 7.275 1.00 0.00 N ATOM 275 NH2 ARG A 42 -13.520 9.510 9.093 1.00 0.00 N ATOM 0 H ARG A 42 -7.781 8.557 4.323 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.835 11.122 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.047 11.422 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.751 10.182 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.916 8.704 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.389 9.918 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.651 8.714 5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.802 7.600 6.672 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.194 9.893 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.260 7.642 6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.641 7.854 7.535 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.979 10.167 9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.481 9.287 9.353 1.00 0.00 H new ATOM 289 N HIS A 43 -6.277 10.932 4.404 1.00 0.00 N ATOM 290 CA HIS A 43 -5.063 11.410 5.044 1.00 0.00 C ATOM 291 C HIS A 43 -4.664 12.760 4.447 1.00 0.00 C ATOM 292 O HIS A 43 -5.333 13.267 3.547 1.00 0.00 O ATOM 293 CB HIS A 43 -3.949 10.365 4.944 1.00 0.00 C ATOM 294 CG HIS A 43 -3.492 9.825 6.279 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.304 10.210 6.876 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.076 8.928 7.124 1.00 0.00 C ATOM 297 CE1 HIS A 43 -2.188 9.566 8.028 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.286 8.772 8.180 1.00 0.00 N ATOM 0 H HIS A 43 -6.143 10.545 3.470 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.245 11.563 6.108 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.297 9.536 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.095 10.807 4.431 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.020 8.429 6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.367 9.654 8.725 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.470 8.159 8.974 1.00 0.00 H new ATOM 306 N ARG A 44 -3.576 13.305 4.971 1.00 0.00 N ATOM 307 CA ARG A 44 -3.080 14.587 4.500 1.00 0.00 C ATOM 308 C ARG A 44 -1.798 14.966 5.244 1.00 0.00 C ATOM 309 O ARG A 44 -1.797 15.077 6.469 1.00 0.00 O ATOM 310 CB ARG A 44 -4.123 15.689 4.701 1.00 0.00 C ATOM 311 CG ARG A 44 -3.785 16.923 3.863 1.00 0.00 C ATOM 312 CD ARG A 44 -4.724 18.085 4.196 1.00 0.00 C ATOM 313 NE ARG A 44 -5.159 18.756 2.950 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.900 18.169 2.000 1.00 0.00 C ATOM 315 NH1 ARG A 44 -6.291 16.896 2.147 1.00 0.00 N ATOM 316 NH2 ARG A 44 -6.248 18.855 0.903 1.00 0.00 N ATOM 0 H ARG A 44 -3.024 12.882 5.717 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.871 14.490 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.109 15.316 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.170 15.962 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.753 17.221 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.863 16.680 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.592 17.717 4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.217 18.799 4.845 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.877 19.726 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.025 16.374 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.855 16.449 1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.949 19.824 0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.812 18.408 0.180 1.00 0.00 H new ATOM 330 N ALA A 45 -0.738 15.155 4.472 1.00 0.00 N ATOM 331 CA ALA A 45 0.548 15.519 5.043 1.00 0.00 C ATOM 332 C ALA A 45 1.520 15.873 3.916 1.00 0.00 C ATOM 333 O ALA A 45 1.242 15.611 2.747 1.00 0.00 O ATOM 334 CB ALA A 45 1.062 14.373 5.918 1.00 0.00 C ATOM 0 H ALA A 45 -0.743 15.063 3.456 1.00 0.00 H new ATOM 0 HA ALA A 45 0.449 16.397 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.026 14.646 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.350 14.181 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.176 13.475 5.311 1.00 0.00 H new ATOM 340 N PRO A 46 2.670 16.478 4.317 1.00 0.00 N ATOM 341 CA PRO A 46 3.684 16.871 3.354 1.00 0.00 C ATOM 342 C PRO A 46 4.461 15.653 2.849 1.00 0.00 C ATOM 343 O PRO A 46 4.748 14.734 3.614 1.00 0.00 O ATOM 344 CB PRO A 46 4.561 17.870 4.091 1.00 0.00 C ATOM 345 CG PRO A 46 4.288 17.651 5.571 1.00 0.00 C ATOM 346 CD PRO A 46 3.033 16.804 5.693 1.00 0.00 C ATOM 0 HA PRO A 46 3.260 17.320 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.614 17.710 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.322 18.892 3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.133 17.152 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.155 18.606 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.219 15.903 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.234 17.350 6.194 1.00 0.00 H new ATOM 354 N VAL A 47 4.779 15.686 1.563 1.00 0.00 N ATOM 355 CA VAL A 47 5.517 14.597 0.946 1.00 0.00 C ATOM 356 C VAL A 47 6.986 14.681 1.365 1.00 0.00 C ATOM 357 O VAL A 47 7.683 13.668 1.405 1.00 0.00 O ATOM 358 CB VAL A 47 5.324 14.627 -0.571 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.232 13.606 -1.260 1.00 0.00 C ATOM 360 CG2 VAL A 47 3.858 14.396 -0.943 1.00 0.00 C ATOM 0 H VAL A 47 4.539 16.450 0.931 1.00 0.00 H new ATOM 0 HA VAL A 47 5.136 13.635 1.288 1.00 0.00 H new ATOM 0 HB VAL A 47 5.606 15.619 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.075 13.648 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.274 13.836 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.995 12.606 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.749 14.422 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.537 13.424 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.242 15.177 -0.498 1.00 0.00 H new ATOM 370 N ASP A 48 7.414 15.898 1.665 1.00 0.00 N ATOM 371 CA ASP A 48 8.788 16.128 2.078 1.00 0.00 C ATOM 372 C ASP A 48 8.973 15.635 3.515 1.00 0.00 C ATOM 373 O ASP A 48 10.080 15.672 4.050 1.00 0.00 O ATOM 374 CB ASP A 48 9.133 17.618 2.042 1.00 0.00 C ATOM 375 CG ASP A 48 8.317 18.494 2.994 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.792 19.520 2.512 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.237 18.118 4.183 1.00 0.00 O ATOM 0 H ASP A 48 6.833 16.736 1.630 1.00 0.00 H new ATOM 0 HA ASP A 48 9.441 15.590 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.190 17.737 2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.992 17.984 1.025 1.00 0.00 H new ATOM 382 N SER A 49 7.872 15.185 4.099 1.00 0.00 N ATOM 383 CA SER A 49 7.898 14.686 5.463 1.00 0.00 C ATOM 384 C SER A 49 7.478 13.215 5.490 1.00 0.00 C ATOM 385 O SER A 49 6.732 12.795 6.373 1.00 0.00 O ATOM 386 CB SER A 49 6.988 15.515 6.371 1.00 0.00 C ATOM 387 OG SER A 49 7.190 15.214 7.749 1.00 0.00 O ATOM 0 H SER A 49 6.956 15.156 3.652 1.00 0.00 H new ATOM 0 HA SER A 49 8.917 14.773 5.839 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.175 16.575 6.201 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.947 15.328 6.108 1.00 0.00 H new ATOM 0 HG SER A 49 7.026 14.260 7.903 1.00 0.00 H new ATOM 393 N LEU A 50 7.977 12.472 4.513 1.00 0.00 N ATOM 394 CA LEU A 50 7.662 11.057 4.413 1.00 0.00 C ATOM 395 C LEU A 50 8.861 10.237 4.896 1.00 0.00 C ATOM 396 O LEU A 50 9.952 10.775 5.076 1.00 0.00 O ATOM 397 CB LEU A 50 7.210 10.707 2.994 1.00 0.00 C ATOM 398 CG LEU A 50 5.839 11.243 2.575 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.708 11.281 1.052 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.713 10.440 3.228 1.00 0.00 C ATOM 0 H LEU A 50 8.597 12.823 3.784 1.00 0.00 H new ATOM 0 HA LEU A 50 6.822 10.807 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.955 11.084 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.200 9.622 2.895 1.00 0.00 H new ATOM 0 HG LEU A 50 5.750 12.269 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.725 11.666 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.479 11.930 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.827 10.274 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.750 10.842 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.787 9.396 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.798 10.509 4.312 1.00 0.00 H new ATOM 412 N ARG A 51 8.616 8.950 5.093 1.00 0.00 N ATOM 413 CA ARG A 51 9.661 8.051 5.552 1.00 0.00 C ATOM 414 C ARG A 51 9.278 6.599 5.262 1.00 0.00 C ATOM 415 O ARG A 51 8.167 6.172 5.574 1.00 0.00 O ATOM 416 CB ARG A 51 9.910 8.216 7.052 1.00 0.00 C ATOM 417 CG ARG A 51 10.987 7.245 7.539 1.00 0.00 C ATOM 418 CD ARG A 51 12.279 7.988 7.885 1.00 0.00 C ATOM 419 NE ARG A 51 12.828 7.481 9.163 1.00 0.00 N ATOM 420 CZ ARG A 51 12.332 7.791 10.369 1.00 0.00 C ATOM 421 NH1 ARG A 51 11.274 8.608 10.469 1.00 0.00 N ATOM 422 NH2 ARG A 51 12.894 7.285 11.475 1.00 0.00 N ATOM 0 H ARG A 51 7.709 8.508 4.943 1.00 0.00 H new ATOM 0 HA ARG A 51 10.575 8.303 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.217 9.240 7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.984 8.042 7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.627 6.707 8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.186 6.501 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.010 7.854 7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.084 9.058 7.962 1.00 0.00 H new ATOM 0 HE ARG A 51 13.634 6.857 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.846 8.994 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.897 8.844 11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.699 6.664 11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.516 7.521 12.393 1.00 0.00 H new ATOM 436 N ILE A 52 10.218 5.879 4.667 1.00 0.00 N ATOM 437 CA ILE A 52 9.993 4.484 4.332 1.00 0.00 C ATOM 438 C ILE A 52 10.843 3.600 5.247 1.00 0.00 C ATOM 439 O ILE A 52 11.957 3.970 5.613 1.00 0.00 O ATOM 440 CB ILE A 52 10.241 4.244 2.841 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.208 4.982 1.988 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.282 2.748 2.526 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.051 4.317 0.619 1.00 0.00 C ATOM 0 H ILE A 52 11.138 6.236 4.408 1.00 0.00 H new ATOM 0 HA ILE A 52 8.951 4.214 4.506 1.00 0.00 H new ATOM 0 HB ILE A 52 11.219 4.653 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.247 4.993 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.513 6.021 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.460 2.605 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.085 2.279 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.330 2.292 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.311 4.861 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.008 4.329 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.723 3.286 0.751 1.00 0.00 H new ATOM 455 N GLY A 53 10.285 2.448 5.589 1.00 0.00 N ATOM 456 CA GLY A 53 10.977 1.508 6.454 1.00 0.00 C ATOM 457 C GLY A 53 10.640 0.065 6.077 1.00 0.00 C ATOM 458 O GLY A 53 9.855 -0.174 5.161 1.00 0.00 O ATOM 0 H GLY A 53 9.361 2.144 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.053 1.665 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.699 1.691 7.492 1.00 0.00 H new ATOM 462 N THR A 54 11.250 -0.861 6.802 1.00 0.00 N ATOM 463 CA THR A 54 11.025 -2.275 6.555 1.00 0.00 C ATOM 464 C THR A 54 10.425 -2.943 7.794 1.00 0.00 C ATOM 465 O THR A 54 10.855 -2.680 8.916 1.00 0.00 O ATOM 466 CB THR A 54 12.351 -2.895 6.112 1.00 0.00 C ATOM 467 OG1 THR A 54 12.717 -2.144 4.958 1.00 0.00 O ATOM 468 CG2 THR A 54 12.184 -4.324 5.591 1.00 0.00 C ATOM 0 H THR A 54 11.901 -0.659 7.561 1.00 0.00 H new ATOM 0 HA THR A 54 10.297 -2.427 5.758 1.00 0.00 H new ATOM 0 HB THR A 54 13.050 -2.894 6.948 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.452 -1.536 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.155 -4.717 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.767 -4.952 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.511 -4.322 4.733 1.00 0.00 H new ATOM 476 N ASP A 55 9.441 -3.796 7.549 1.00 0.00 N ATOM 477 CA ASP A 55 8.778 -4.505 8.630 1.00 0.00 C ATOM 478 C ASP A 55 9.308 -5.938 8.696 1.00 0.00 C ATOM 479 O ASP A 55 8.878 -6.799 7.930 1.00 0.00 O ATOM 480 CB ASP A 55 7.266 -4.570 8.401 1.00 0.00 C ATOM 481 CG ASP A 55 6.412 -4.153 9.599 1.00 0.00 C ATOM 482 OD1 ASP A 55 6.868 -3.253 10.336 1.00 0.00 O ATOM 483 OD2 ASP A 55 5.321 -4.745 9.751 1.00 0.00 O ATOM 0 H ASP A 55 9.087 -4.012 6.617 1.00 0.00 H new ATOM 0 HA ASP A 55 8.980 -3.969 9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.014 -3.931 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.000 -5.589 8.121 1.00 0.00 H new ATOM 488 N ALA A 56 10.236 -6.150 9.618 1.00 0.00 N ATOM 489 CA ALA A 56 10.830 -7.464 9.794 1.00 0.00 C ATOM 490 C ALA A 56 9.744 -8.459 10.210 1.00 0.00 C ATOM 491 O ALA A 56 9.955 -9.670 10.163 1.00 0.00 O ATOM 492 CB ALA A 56 11.965 -7.379 10.816 1.00 0.00 C ATOM 0 H ALA A 56 10.591 -5.433 10.251 1.00 0.00 H new ATOM 0 HA ALA A 56 11.261 -7.819 8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.410 -8.365 10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.724 -6.683 10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.570 -7.029 11.770 1.00 0.00 H new ATOM 498 N GLU A 57 8.605 -7.910 10.608 1.00 0.00 N ATOM 499 CA GLU A 57 7.486 -8.734 11.032 1.00 0.00 C ATOM 500 C GLU A 57 7.060 -9.674 9.902 1.00 0.00 C ATOM 501 O GLU A 57 6.758 -10.842 10.141 1.00 0.00 O ATOM 502 CB GLU A 57 6.313 -7.868 11.496 1.00 0.00 C ATOM 503 CG GLU A 57 5.712 -8.409 12.795 1.00 0.00 C ATOM 504 CD GLU A 57 4.283 -7.900 12.992 1.00 0.00 C ATOM 505 OE1 GLU A 57 4.073 -6.691 12.753 1.00 0.00 O ATOM 506 OE2 GLU A 57 3.432 -8.732 13.376 1.00 0.00 O ATOM 0 H GLU A 57 8.433 -6.905 10.646 1.00 0.00 H new ATOM 0 HA GLU A 57 7.807 -9.339 11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.651 -6.843 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.547 -7.841 10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.714 -9.499 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.330 -8.105 13.640 1.00 0.00 H new ATOM 513 N ALA A 58 7.050 -9.129 8.694 1.00 0.00 N ATOM 514 CA ALA A 58 6.667 -9.904 7.526 1.00 0.00 C ATOM 515 C ALA A 58 7.683 -9.669 6.407 1.00 0.00 C ATOM 516 O ALA A 58 7.466 -10.082 5.269 1.00 0.00 O ATOM 517 CB ALA A 58 5.244 -9.528 7.109 1.00 0.00 C ATOM 0 H ALA A 58 7.301 -8.160 8.499 1.00 0.00 H new ATOM 0 HA ALA A 58 6.670 -10.970 7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.956 -10.109 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.557 -9.741 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.204 -8.466 6.869 1.00 0.00 H new ATOM 523 N ARG A 59 8.772 -9.006 6.770 1.00 0.00 N ATOM 524 CA ARG A 59 9.823 -8.711 5.810 1.00 0.00 C ATOM 525 C ARG A 59 9.248 -7.960 4.608 1.00 0.00 C ATOM 526 O ARG A 59 9.469 -8.352 3.463 1.00 0.00 O ATOM 527 CB ARG A 59 10.501 -9.994 5.325 1.00 0.00 C ATOM 528 CG ARG A 59 11.182 -10.726 6.483 1.00 0.00 C ATOM 529 CD ARG A 59 12.628 -11.081 6.133 1.00 0.00 C ATOM 530 NE ARG A 59 13.515 -10.780 7.279 1.00 0.00 N ATOM 531 CZ ARG A 59 14.804 -11.140 7.346 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.365 -11.816 6.333 1.00 0.00 N ATOM 533 NH2 ARG A 59 15.533 -10.825 8.425 1.00 0.00 N ATOM 0 H ARG A 59 8.949 -8.665 7.715 1.00 0.00 H new ATOM 0 HA ARG A 59 10.565 -8.088 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.762 -10.647 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.238 -9.753 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.163 -10.100 7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.628 -11.634 6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.699 -12.138 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.948 -10.517 5.257 1.00 0.00 H new ATOM 0 HE ARG A 59 13.120 -10.266 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.811 -12.056 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.346 -12.090 6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.107 -10.311 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.514 -11.099 8.475 1.00 0.00 H new ATOM 547 N LEU A 60 8.522 -6.893 4.909 1.00 0.00 N ATOM 548 CA LEU A 60 7.913 -6.084 3.867 1.00 0.00 C ATOM 549 C LEU A 60 8.225 -4.608 4.126 1.00 0.00 C ATOM 550 O LEU A 60 8.611 -4.237 5.233 1.00 0.00 O ATOM 551 CB LEU A 60 6.418 -6.386 3.757 1.00 0.00 C ATOM 552 CG LEU A 60 6.050 -7.821 3.371 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.533 -8.019 3.380 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.670 -8.202 2.025 1.00 0.00 C ATOM 0 H LEU A 60 8.342 -6.570 5.860 1.00 0.00 H new ATOM 0 HA LEU A 60 8.337 -6.335 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.950 -6.157 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.984 -5.710 3.020 1.00 0.00 H new ATOM 0 HG LEU A 60 6.467 -8.494 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.299 -9.047 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.145 -7.815 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.073 -7.336 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.393 -9.226 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.304 -7.527 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.755 -8.125 2.089 1.00 0.00 H new ATOM 566 N SER A 61 8.045 -3.807 3.087 1.00 0.00 N ATOM 567 CA SER A 61 8.302 -2.380 3.188 1.00 0.00 C ATOM 568 C SER A 61 7.090 -1.672 3.797 1.00 0.00 C ATOM 569 O SER A 61 5.950 -1.964 3.437 1.00 0.00 O ATOM 570 CB SER A 61 8.634 -1.782 1.820 1.00 0.00 C ATOM 571 OG SER A 61 7.839 -2.348 0.782 1.00 0.00 O ATOM 0 H SER A 61 7.724 -4.119 2.170 1.00 0.00 H new ATOM 0 HA SER A 61 9.165 -2.233 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.478 -0.704 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.689 -1.946 1.599 1.00 0.00 H new ATOM 0 HG SER A 61 8.080 -1.939 -0.075 1.00 0.00 H new ATOM 577 N VAL A 62 7.377 -0.755 4.709 1.00 0.00 N ATOM 578 CA VAL A 62 6.324 -0.003 5.371 1.00 0.00 C ATOM 579 C VAL A 62 6.527 1.490 5.107 1.00 0.00 C ATOM 580 O VAL A 62 7.602 1.909 4.681 1.00 0.00 O ATOM 581 CB VAL A 62 6.293 -0.348 6.862 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.773 -1.769 7.085 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.673 -0.163 7.496 1.00 0.00 C ATOM 0 H VAL A 62 8.323 -0.516 5.005 1.00 0.00 H new ATOM 0 HA VAL A 62 5.349 -0.275 4.968 1.00 0.00 H new ATOM 0 HB VAL A 62 5.605 0.341 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.761 -1.989 8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.762 -1.853 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.425 -2.479 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.623 -0.415 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.391 -0.816 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.989 0.874 7.384 1.00 0.00 H new ATOM 593 N LEU A 63 5.477 2.253 5.372 1.00 0.00 N ATOM 594 CA LEU A 63 5.526 3.691 5.168 1.00 0.00 C ATOM 595 C LEU A 63 5.193 4.400 6.482 1.00 0.00 C ATOM 596 O LEU A 63 4.346 3.936 7.244 1.00 0.00 O ATOM 597 CB LEU A 63 4.621 4.098 4.003 1.00 0.00 C ATOM 598 CG LEU A 63 4.276 5.586 3.911 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.338 6.003 5.045 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.543 6.442 3.871 1.00 0.00 C ATOM 0 H LEU A 63 4.587 1.903 5.726 1.00 0.00 H new ATOM 0 HA LEU A 63 6.532 4.001 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.103 3.799 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.691 3.533 4.076 1.00 0.00 H new ATOM 0 HG LEU A 63 3.744 5.755 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.109 7.065 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.415 5.426 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.821 5.815 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.269 7.495 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.124 6.274 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.140 6.168 3.001 1.00 0.00 H new ATOM 612 N TYR A 64 5.876 5.512 6.708 1.00 0.00 N ATOM 613 CA TYR A 64 5.664 6.289 7.917 1.00 0.00 C ATOM 614 C TYR A 64 5.169 7.698 7.583 1.00 0.00 C ATOM 615 O TYR A 64 5.792 8.409 6.796 1.00 0.00 O ATOM 616 CB TYR A 64 7.029 6.390 8.599 1.00 0.00 C ATOM 617 CG TYR A 64 7.343 5.223 9.537 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.090 5.337 10.889 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.880 4.056 9.032 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.386 4.239 11.773 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.176 2.958 9.915 1.00 0.00 C ATOM 622 CZ TYR A 64 7.914 3.104 11.242 1.00 0.00 C ATOM 623 OH TYR A 64 8.193 2.067 12.076 1.00 0.00 O ATOM 0 H TYR A 64 6.577 5.894 6.074 1.00 0.00 H new ATOM 0 HA TYR A 64 4.914 5.815 8.551 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.803 6.446 7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.073 7.320 9.165 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.670 6.250 11.284 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.078 3.967 7.974 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.193 4.315 12.833 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.596 2.040 9.533 1.00 0.00 H new ATOM 0 HH TYR A 64 8.564 1.322 11.559 1.00 0.00 H new ATOM 633 N ILE A 65 4.052 8.059 8.198 1.00 0.00 N ATOM 634 CA ILE A 65 3.466 9.370 7.976 1.00 0.00 C ATOM 635 C ILE A 65 2.781 9.842 9.260 1.00 0.00 C ATOM 636 O ILE A 65 1.774 9.271 9.676 1.00 0.00 O ATOM 637 CB ILE A 65 2.540 9.344 6.758 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.834 10.690 6.577 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.547 8.184 6.850 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.151 10.771 5.211 1.00 0.00 C ATOM 0 H ILE A 65 3.538 7.467 8.850 1.00 0.00 H new ATOM 0 HA ILE A 65 4.242 10.099 7.742 1.00 0.00 H new ATOM 0 HB ILE A 65 3.149 9.178 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.094 10.826 7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.557 11.500 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.901 8.188 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.092 7.241 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.940 8.295 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.657 11.737 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.897 10.659 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.412 9.975 5.126 1.00 0.00 H new ATOM 652 N ASP A 66 3.354 10.880 9.852 1.00 0.00 N ATOM 653 CA ASP A 66 2.811 11.434 11.080 1.00 0.00 C ATOM 654 C ASP A 66 3.207 10.541 12.257 1.00 0.00 C ATOM 655 O ASP A 66 2.694 10.701 13.363 1.00 0.00 O ATOM 656 CB ASP A 66 1.283 11.498 11.028 1.00 0.00 C ATOM 657 CG ASP A 66 0.660 12.682 11.769 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.647 13.781 11.173 1.00 0.00 O ATOM 659 OD2 ASP A 66 0.210 12.462 12.914 1.00 0.00 O ATOM 0 H ASP A 66 4.189 11.352 9.504 1.00 0.00 H new ATOM 0 HA ASP A 66 3.210 12.441 11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.971 11.537 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.881 10.575 11.446 1.00 0.00 H new ATOM 664 N GLY A 67 4.117 9.619 11.979 1.00 0.00 N ATOM 665 CA GLY A 67 4.588 8.699 13.001 1.00 0.00 C ATOM 666 C GLY A 67 3.721 7.439 13.046 1.00 0.00 C ATOM 667 O GLY A 67 3.391 6.947 14.124 1.00 0.00 O ATOM 0 H GLY A 67 4.541 9.489 11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.624 8.425 12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.572 9.191 13.974 1.00 0.00 H new ATOM 671 N LYS A 68 3.378 6.953 11.862 1.00 0.00 N ATOM 672 CA LYS A 68 2.556 5.760 11.753 1.00 0.00 C ATOM 673 C LYS A 68 3.362 4.651 11.074 1.00 0.00 C ATOM 674 O LYS A 68 4.464 4.892 10.583 1.00 0.00 O ATOM 675 CB LYS A 68 1.236 6.081 11.049 1.00 0.00 C ATOM 676 CG LYS A 68 1.431 6.167 9.533 1.00 0.00 C ATOM 677 CD LYS A 68 0.484 5.212 8.804 1.00 0.00 C ATOM 678 CE LYS A 68 -0.973 5.496 9.173 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.811 5.571 7.955 1.00 0.00 N ATOM 0 H LYS A 68 3.654 7.364 10.970 1.00 0.00 H new ATOM 0 HA LYS A 68 2.282 5.395 12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.499 5.312 11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.840 7.025 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.253 7.189 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.463 5.924 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.617 5.315 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.733 4.182 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.347 4.712 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.038 6.434 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.705 6.053 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.305 6.102 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.012 4.610 7.612 1.00 0.00 H new ATOM 693 N ARG A 69 2.782 3.460 11.069 1.00 0.00 N ATOM 694 CA ARG A 69 3.432 2.313 10.458 1.00 0.00 C ATOM 695 C ARG A 69 2.397 1.415 9.779 1.00 0.00 C ATOM 696 O ARG A 69 1.580 0.786 10.450 1.00 0.00 O ATOM 697 CB ARG A 69 4.202 1.497 11.499 1.00 0.00 C ATOM 698 CG ARG A 69 5.113 0.469 10.825 1.00 0.00 C ATOM 699 CD ARG A 69 4.341 -0.808 10.486 1.00 0.00 C ATOM 700 NE ARG A 69 4.813 -1.925 11.334 1.00 0.00 N ATOM 701 CZ ARG A 69 4.193 -3.109 11.429 1.00 0.00 C ATOM 702 NH1 ARG A 69 3.073 -3.338 10.730 1.00 0.00 N ATOM 703 NH2 ARG A 69 4.694 -4.065 12.224 1.00 0.00 N ATOM 0 H ARG A 69 1.869 3.264 11.479 1.00 0.00 H new ATOM 0 HA ARG A 69 4.135 2.688 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.798 2.164 12.121 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.500 0.988 12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.537 0.894 9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.948 0.230 11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.274 -0.649 10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.477 -1.057 9.434 1.00 0.00 H new ATOM 0 HE ARG A 69 5.663 -1.785 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.692 -2.611 10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.602 -4.240 10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.547 -3.891 12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.223 -4.967 12.297 1.00 0.00 H new ATOM 717 N LEU A 70 2.464 1.383 8.456 1.00 0.00 N ATOM 718 CA LEU A 70 1.543 0.572 7.679 1.00 0.00 C ATOM 719 C LEU A 70 2.310 -0.130 6.556 1.00 0.00 C ATOM 720 O LEU A 70 3.484 0.157 6.328 1.00 0.00 O ATOM 721 CB LEU A 70 0.368 1.419 7.185 1.00 0.00 C ATOM 722 CG LEU A 70 0.520 2.027 5.790 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.501 1.431 4.818 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.435 3.554 5.844 1.00 0.00 C ATOM 0 H LEU A 70 3.142 1.906 7.903 1.00 0.00 H new ATOM 0 HA LEU A 70 1.104 -0.208 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.529 0.800 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.205 2.228 7.897 1.00 0.00 H new ATOM 0 HG LEU A 70 1.511 1.773 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.371 1.880 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.351 0.354 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.509 1.634 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.546 3.960 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.532 3.850 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.230 3.940 6.482 1.00 0.00 H new ATOM 736 N HIS A 71 1.615 -1.036 5.885 1.00 0.00 N ATOM 737 CA HIS A 71 2.216 -1.781 4.791 1.00 0.00 C ATOM 738 C HIS A 71 1.732 -1.212 3.456 1.00 0.00 C ATOM 739 O HIS A 71 0.531 -1.166 3.194 1.00 0.00 O ATOM 740 CB HIS A 71 1.934 -3.278 4.934 1.00 0.00 C ATOM 741 CG HIS A 71 2.802 -3.971 5.957 1.00 0.00 C ATOM 742 ND1 HIS A 71 2.308 -4.454 7.156 1.00 0.00 N ATOM 743 CD2 HIS A 71 4.135 -4.259 5.946 1.00 0.00 C ATOM 744 CE1 HIS A 71 3.308 -5.004 7.830 1.00 0.00 C ATOM 745 NE2 HIS A 71 4.439 -4.882 7.078 1.00 0.00 N ATOM 0 H HIS A 71 0.641 -1.272 6.077 1.00 0.00 H new ATOM 0 HA HIS A 71 3.300 -1.670 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.888 -3.416 5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.077 -3.758 3.966 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.339 -4.397 7.468 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.826 -4.021 5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.239 -5.467 8.803 1.00 0.00 H new ATOM 753 N ILE A 72 2.693 -0.791 2.646 1.00 0.00 N ATOM 754 CA ILE A 72 2.381 -0.227 1.344 1.00 0.00 C ATOM 755 C ILE A 72 3.027 -1.083 0.253 1.00 0.00 C ATOM 756 O ILE A 72 3.918 -1.883 0.534 1.00 0.00 O ATOM 757 CB ILE A 72 2.785 1.248 1.289 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.306 1.398 1.220 1.00 0.00 C ATOM 759 CG2 ILE A 72 2.185 2.025 2.462 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.700 2.609 0.371 1.00 0.00 C ATOM 0 H ILE A 72 3.688 -0.829 2.867 1.00 0.00 H new ATOM 0 HA ILE A 72 1.305 -0.246 1.168 1.00 0.00 H new ATOM 0 HB ILE A 72 2.377 1.680 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.710 1.508 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.745 0.495 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.488 3.070 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.098 1.959 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.542 1.600 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.786 2.693 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.315 2.484 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.280 3.514 0.810 1.00 0.00 H new ATOM 772 N SER A 73 2.553 -0.885 -0.968 1.00 0.00 N ATOM 773 CA SER A 73 3.074 -1.629 -2.102 1.00 0.00 C ATOM 774 C SER A 73 4.566 -1.338 -2.279 1.00 0.00 C ATOM 775 O SER A 73 5.032 -0.248 -1.951 1.00 0.00 O ATOM 776 CB SER A 73 2.311 -1.286 -3.383 1.00 0.00 C ATOM 777 OG SER A 73 1.673 -2.428 -3.947 1.00 0.00 O ATOM 0 H SER A 73 1.814 -0.220 -1.197 1.00 0.00 H new ATOM 0 HA SER A 73 2.939 -2.692 -1.904 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.563 -0.523 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.000 -0.859 -4.112 1.00 0.00 H new ATOM 0 HG SER A 73 1.195 -2.167 -4.762 1.00 0.00 H new ATOM 783 N GLU A 74 5.273 -2.332 -2.797 1.00 0.00 N ATOM 784 CA GLU A 74 6.702 -2.196 -3.021 1.00 0.00 C ATOM 785 C GLU A 74 6.972 -1.156 -4.110 1.00 0.00 C ATOM 786 O GLU A 74 7.925 -0.383 -4.013 1.00 0.00 O ATOM 787 CB GLU A 74 7.331 -3.543 -3.381 1.00 0.00 C ATOM 788 CG GLU A 74 7.065 -3.898 -4.846 1.00 0.00 C ATOM 789 CD GLU A 74 5.584 -4.207 -5.075 1.00 0.00 C ATOM 790 OE1 GLU A 74 4.943 -3.410 -5.794 1.00 0.00 O ATOM 791 OE2 GLU A 74 5.127 -5.233 -4.526 1.00 0.00 O ATOM 0 H GLU A 74 4.883 -3.235 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 74 7.164 -1.852 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.405 -3.506 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.926 -4.322 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.371 -3.070 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.668 -4.760 -5.130 1.00 0.00 H new ATOM 798 N GLU A 75 6.116 -1.169 -5.121 1.00 0.00 N ATOM 799 CA GLU A 75 6.251 -0.236 -6.227 1.00 0.00 C ATOM 800 C GLU A 75 5.882 1.179 -5.777 1.00 0.00 C ATOM 801 O GLU A 75 6.507 2.151 -6.197 1.00 0.00 O ATOM 802 CB GLU A 75 5.396 -0.672 -7.419 1.00 0.00 C ATOM 803 CG GLU A 75 5.636 0.235 -8.627 1.00 0.00 C ATOM 804 CD GLU A 75 6.672 -0.374 -9.574 1.00 0.00 C ATOM 805 OE1 GLU A 75 6.579 -1.599 -9.804 1.00 0.00 O ATOM 806 OE2 GLU A 75 7.533 0.399 -10.046 1.00 0.00 O ATOM 0 H GLU A 75 5.327 -1.810 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 75 7.292 -0.234 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.631 -1.703 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.342 -0.646 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.698 0.392 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.978 1.213 -8.289 1.00 0.00 H new ATOM 813 N ASP A 76 4.868 1.249 -4.926 1.00 0.00 N ATOM 814 CA ASP A 76 4.409 2.529 -4.414 1.00 0.00 C ATOM 815 C ASP A 76 5.452 3.089 -3.445 1.00 0.00 C ATOM 816 O ASP A 76 5.623 4.303 -3.346 1.00 0.00 O ATOM 817 CB ASP A 76 3.091 2.376 -3.653 1.00 0.00 C ATOM 818 CG ASP A 76 1.882 3.043 -4.313 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.762 2.532 -4.094 1.00 0.00 O ATOM 820 OD2 ASP A 76 2.105 4.048 -5.022 1.00 0.00 O ATOM 0 H ASP A 76 4.352 0.441 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 76 4.261 3.198 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.880 1.313 -3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.216 2.792 -2.653 1.00 0.00 H new ATOM 825 N ALA A 77 6.122 2.178 -2.755 1.00 0.00 N ATOM 826 CA ALA A 77 7.143 2.567 -1.797 1.00 0.00 C ATOM 827 C ALA A 77 8.305 3.231 -2.539 1.00 0.00 C ATOM 828 O ALA A 77 8.955 4.128 -2.004 1.00 0.00 O ATOM 829 CB ALA A 77 7.587 1.340 -0.998 1.00 0.00 C ATOM 0 H ALA A 77 5.978 1.172 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 77 6.747 3.293 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.353 1.631 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.731 0.922 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.993 0.591 -1.678 1.00 0.00 H new ATOM 835 N GLN A 78 8.531 2.764 -3.758 1.00 0.00 N ATOM 836 CA GLN A 78 9.603 3.301 -4.578 1.00 0.00 C ATOM 837 C GLN A 78 9.192 4.649 -5.174 1.00 0.00 C ATOM 838 O GLN A 78 9.981 5.592 -5.191 1.00 0.00 O ATOM 839 CB GLN A 78 10.000 2.314 -5.677 1.00 0.00 C ATOM 840 CG GLN A 78 11.275 2.770 -6.390 1.00 0.00 C ATOM 841 CD GLN A 78 11.027 2.960 -7.888 1.00 0.00 C ATOM 842 OE1 GLN A 78 11.319 2.103 -8.705 1.00 0.00 O ATOM 843 NE2 GLN A 78 10.473 4.128 -8.201 1.00 0.00 N ATOM 0 H GLN A 78 7.990 2.019 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 78 10.475 3.457 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.155 1.326 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.188 2.222 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.625 3.706 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.064 2.033 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.254 4.801 -7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.268 4.350 -9.175 1.00 0.00 H new ATOM 852 N ARG A 79 7.955 4.697 -5.649 1.00 0.00 N ATOM 853 CA ARG A 79 7.429 5.913 -6.244 1.00 0.00 C ATOM 854 C ARG A 79 7.305 7.011 -5.186 1.00 0.00 C ATOM 855 O ARG A 79 7.439 8.194 -5.495 1.00 0.00 O ATOM 856 CB ARG A 79 6.058 5.668 -6.878 1.00 0.00 C ATOM 857 CG ARG A 79 6.117 5.844 -8.397 1.00 0.00 C ATOM 858 CD ARG A 79 4.720 5.752 -9.014 1.00 0.00 C ATOM 859 NE ARG A 79 4.376 4.337 -9.279 1.00 0.00 N ATOM 860 CZ ARG A 79 3.263 3.940 -9.910 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.378 4.849 -10.344 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.033 2.635 -10.107 1.00 0.00 N ATOM 0 H ARG A 79 7.303 3.913 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 79 8.125 6.229 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.717 4.661 -6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.329 6.360 -6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.562 6.809 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.761 5.079 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.986 6.193 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.685 6.323 -9.942 1.00 0.00 H new ATOM 0 HE ARG A 79 5.027 3.619 -8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.552 5.843 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.531 4.547 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.706 1.943 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.185 2.333 -10.588 1.00 0.00 H new ATOM 876 N LEU A 80 7.050 6.580 -3.959 1.00 0.00 N ATOM 877 CA LEU A 80 6.907 7.512 -2.853 1.00 0.00 C ATOM 878 C LEU A 80 8.225 8.262 -2.649 1.00 0.00 C ATOM 879 O LEU A 80 8.235 9.486 -2.533 1.00 0.00 O ATOM 880 CB LEU A 80 6.411 6.786 -1.601 1.00 0.00 C ATOM 881 CG LEU A 80 5.038 7.212 -1.077 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.571 6.289 0.050 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.046 8.681 -0.650 1.00 0.00 C ATOM 0 H LEU A 80 6.939 5.598 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 80 6.147 8.260 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.381 5.717 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.143 6.933 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 80 4.317 7.117 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.593 6.614 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.501 5.267 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.286 6.328 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.058 8.958 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.782 8.826 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.303 9.307 -1.504 1.00 0.00 H new ATOM 895 N VAL A 81 9.305 7.495 -2.610 1.00 0.00 N ATOM 896 CA VAL A 81 10.625 8.071 -2.422 1.00 0.00 C ATOM 897 C VAL A 81 10.939 9.009 -3.589 1.00 0.00 C ATOM 898 O VAL A 81 11.318 10.160 -3.380 1.00 0.00 O ATOM 899 CB VAL A 81 11.662 6.958 -2.253 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.053 7.436 -2.676 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.676 6.435 -0.816 1.00 0.00 C ATOM 0 H VAL A 81 9.292 6.480 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 81 10.655 8.667 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 81 11.378 6.133 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.771 6.626 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.031 7.737 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.349 8.285 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.421 5.645 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.924 7.249 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.693 6.037 -0.564 1.00 0.00 H new ATOM 911 N VAL A 82 10.770 8.481 -4.792 1.00 0.00 N ATOM 912 CA VAL A 82 11.031 9.257 -5.993 1.00 0.00 C ATOM 913 C VAL A 82 10.282 10.588 -5.907 1.00 0.00 C ATOM 914 O VAL A 82 10.777 11.614 -6.373 1.00 0.00 O ATOM 915 CB VAL A 82 10.660 8.442 -7.233 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.605 9.331 -8.477 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.631 7.276 -7.434 1.00 0.00 C ATOM 0 H VAL A 82 10.456 7.526 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 82 12.093 9.486 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 82 9.665 8.025 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.339 8.727 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.856 10.110 -8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.580 9.790 -8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.345 6.713 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.642 7.662 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.598 6.621 -6.563 1.00 0.00 H new ATOM 927 N ALA A 83 9.102 10.530 -5.308 1.00 0.00 N ATOM 928 CA ALA A 83 8.280 11.718 -5.155 1.00 0.00 C ATOM 929 C ALA A 83 9.005 12.722 -4.256 1.00 0.00 C ATOM 930 O ALA A 83 8.764 13.925 -4.342 1.00 0.00 O ATOM 931 CB ALA A 83 6.909 11.324 -4.602 1.00 0.00 C ATOM 0 H ALA A 83 8.695 9.678 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 83 8.116 12.198 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.293 12.216 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.423 10.633 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.033 10.842 -3.632 1.00 0.00 H new ATOM 937 N GLY A 84 9.878 12.189 -3.413 1.00 0.00 N ATOM 938 CA GLY A 84 10.639 13.023 -2.498 1.00 0.00 C ATOM 939 C GLY A 84 10.665 12.416 -1.094 1.00 0.00 C ATOM 940 O GLY A 84 11.364 12.912 -0.212 1.00 0.00 O ATOM 0 H GLY A 84 10.075 11.191 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.658 13.138 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.200 14.020 -2.459 1.00 0.00 H new ATOM 944 N ALA A 85 9.894 11.351 -0.931 1.00 0.00 N ATOM 945 CA ALA A 85 9.819 10.671 0.351 1.00 0.00 C ATOM 946 C ALA A 85 11.201 10.125 0.715 1.00 0.00 C ATOM 947 O ALA A 85 12.010 9.835 -0.165 1.00 0.00 O ATOM 948 CB ALA A 85 8.757 9.571 0.284 1.00 0.00 C ATOM 0 H ALA A 85 9.316 10.942 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 85 9.521 11.365 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.701 9.061 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.789 10.014 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.024 8.854 -0.492 1.00 0.00 H new ATOM 954 N GLU A 86 11.430 10.001 2.014 1.00 0.00 N ATOM 955 CA GLU A 86 12.700 9.496 2.506 1.00 0.00 C ATOM 956 C GLU A 86 12.853 8.014 2.155 1.00 0.00 C ATOM 957 O GLU A 86 11.861 7.310 1.976 1.00 0.00 O ATOM 958 CB GLU A 86 12.833 9.719 4.014 1.00 0.00 C ATOM 959 CG GLU A 86 14.111 10.492 4.343 1.00 0.00 C ATOM 960 CD GLU A 86 14.091 11.882 3.704 1.00 0.00 C ATOM 961 OE1 GLU A 86 13.294 12.716 4.184 1.00 0.00 O ATOM 962 OE2 GLU A 86 14.875 12.079 2.750 1.00 0.00 O ATOM 0 H GLU A 86 10.757 10.242 2.741 1.00 0.00 H new ATOM 0 HA GLU A 86 13.502 10.050 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.966 10.269 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.843 8.758 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.215 10.586 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.978 9.936 3.986 1.00 0.00 H new ATOM 969 N ASP A 87 14.104 7.586 2.069 1.00 0.00 N ATOM 970 CA ASP A 87 14.399 6.201 1.743 1.00 0.00 C ATOM 971 C ASP A 87 15.315 5.613 2.818 1.00 0.00 C ATOM 972 O ASP A 87 16.499 5.943 2.879 1.00 0.00 O ATOM 973 CB ASP A 87 15.120 6.093 0.397 1.00 0.00 C ATOM 974 CG ASP A 87 14.707 4.898 -0.464 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.033 4.928 -1.670 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.074 3.981 0.104 1.00 0.00 O ATOM 0 H ASP A 87 14.924 8.173 2.219 1.00 0.00 H new ATOM 0 HA ASP A 87 13.455 5.658 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.941 7.008 -0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.193 6.036 0.580 1.00 0.00 H new ATOM 981 N GLN A 88 14.734 4.752 3.639 1.00 0.00 N ATOM 982 CA GLN A 88 15.483 4.115 4.709 1.00 0.00 C ATOM 983 C GLN A 88 15.427 2.593 4.563 1.00 0.00 C ATOM 984 O GLN A 88 16.148 1.872 5.252 1.00 0.00 O ATOM 985 CB GLN A 88 14.962 4.553 6.080 1.00 0.00 C ATOM 986 CG GLN A 88 14.709 6.061 6.113 1.00 0.00 C ATOM 987 CD GLN A 88 15.925 6.833 5.599 1.00 0.00 C ATOM 988 OE1 GLN A 88 15.627 8.005 5.044 1.00 0.00 O flip ATOM 989 NE2 GLN A 88 17.059 6.395 5.699 1.00 0.00 N flip ATOM 0 H GLN A 88 13.752 4.480 3.585 1.00 0.00 H new ATOM 0 HA GLN A 88 16.524 4.430 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.039 4.021 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.685 4.285 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.838 6.300 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.480 6.373 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.218 5.487 6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.848 6.936 5.345 1.00 0.00 H new ATOM 998 N ARG A 89 14.565 2.148 3.660 1.00 0.00 N ATOM 999 CA ARG A 89 14.406 0.725 3.414 1.00 0.00 C ATOM 1000 C ARG A 89 15.774 0.054 3.275 1.00 0.00 C ATOM 1001 O ARG A 89 16.010 -1.009 3.846 1.00 0.00 O ATOM 1002 CB ARG A 89 13.590 0.473 2.145 1.00 0.00 C ATOM 1003 CG ARG A 89 12.436 -0.493 2.418 1.00 0.00 C ATOM 1004 CD ARG A 89 12.732 -1.879 1.840 1.00 0.00 C ATOM 1005 NE ARG A 89 13.697 -2.592 2.705 1.00 0.00 N ATOM 1006 CZ ARG A 89 14.063 -3.869 2.529 1.00 0.00 C ATOM 1007 NH1 ARG A 89 13.547 -4.580 1.518 1.00 0.00 N ATOM 1008 NH2 ARG A 89 14.946 -4.434 3.363 1.00 0.00 N ATOM 0 H ARG A 89 13.969 2.748 3.090 1.00 0.00 H new ATOM 0 HA ARG A 89 13.874 0.299 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.197 1.417 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.236 0.063 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.269 -0.571 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.518 -0.101 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.809 -2.453 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.136 -1.783 0.832 1.00 0.00 H new ATOM 0 HE ARG A 89 14.110 -2.080 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.876 -4.149 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.825 -5.552 1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.340 -3.892 4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.224 -5.406 3.229 1.00 0.00 H new