USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ 165:sc= -0.0281 (180deg=-0.241) USER MOD Single : A 1 SER OG : rot -65:sc= 1.15 USER MOD Single : A 4 TYR OH : rot 111:sc= 1.19 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.508 (180deg=-1.19) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.72 F(o=-3.5!,f=-1.7) USER MOD Single : A 22 ASN :FLIP amide:sc= 1.1 F(o=-0.09,f=1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -0.0931 (180deg=-0.676) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 141:sc= -0.219 (180deg=-0.367) USER MOD Single : A 37 SER OG : rot -46:sc= 0.35 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0297 (180deg=-0.537) USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= -0.173 (180deg=-0.867) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.88! C(o=-5.9!,f=-5.9!) USER MOD Single : A 53 THR OG1 : rot 91:sc= 0.233 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 60 SER OG : rot 80:sc= 1.26 USER MOD Single : A 67 SER OG : rot 180:sc= -1.03 USER MOD Single : A 73 SER OG : rot 83:sc= 0.176 USER MOD Single : A 74 MET CE :methyl 154:sc= -0.283 (180deg=-2.51!) USER MOD Single : A 76 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-7.7!) USER MOD Single : A 79 SER OG : rot -37:sc= 0.0404 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.740 17.610 -1.487 1.00 0.00 N ATOM 2 CA SER A 1 4.784 17.195 -0.422 1.00 0.00 C ATOM 3 C SER A 1 3.896 16.062 -0.946 1.00 0.00 C ATOM 4 O SER A 1 2.716 15.988 -0.664 1.00 0.00 O ATOM 5 CB SER A 1 3.909 18.387 -0.030 1.00 0.00 C ATOM 6 OG SER A 1 2.889 17.950 0.859 1.00 0.00 O ATOM 0 H1 SER A 1 6.162 18.527 -1.236 1.00 0.00 H new ATOM 0 H2 SER A 1 6.491 16.896 -1.577 1.00 0.00 H new ATOM 0 H3 SER A 1 5.235 17.697 -2.392 1.00 0.00 H new ATOM 0 HA SER A 1 5.339 16.849 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.516 19.157 0.446 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.465 18.835 -0.919 1.00 0.00 H new ATOM 0 HG SER A 1 2.292 17.328 0.392 1.00 0.00 H new ATOM 14 N ASP A 2 4.470 15.202 -1.745 1.00 0.00 N ATOM 15 CA ASP A 2 3.704 14.080 -2.356 1.00 0.00 C ATOM 16 C ASP A 2 3.141 13.137 -1.285 1.00 0.00 C ATOM 17 O ASP A 2 3.824 12.285 -0.752 1.00 0.00 O ATOM 18 CB ASP A 2 4.641 13.317 -3.296 1.00 0.00 C ATOM 19 CG ASP A 2 5.352 14.313 -4.216 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.701 15.243 -4.665 1.00 0.00 O ATOM 21 OD2 ASP A 2 6.533 14.128 -4.456 1.00 0.00 O ATOM 0 H ASP A 2 5.456 15.232 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 2 2.855 14.482 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.372 12.751 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.075 12.597 -3.888 1.00 0.00 H new ATOM 26 N VAL A 3 1.883 13.316 -0.974 1.00 0.00 N ATOM 27 CA VAL A 3 1.201 12.483 0.059 1.00 0.00 C ATOM 28 C VAL A 3 0.857 11.090 -0.489 1.00 0.00 C ATOM 29 O VAL A 3 0.482 10.219 0.270 1.00 0.00 O ATOM 30 CB VAL A 3 -0.108 13.195 0.474 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.152 14.696 0.617 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.219 12.978 -0.567 1.00 0.00 C ATOM 0 H VAL A 3 1.287 14.023 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 3 1.870 12.361 0.911 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.436 12.772 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.770 15.199 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.913 14.862 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.498 15.098 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.125 13.491 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.899 13.377 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.422 11.912 -0.666 1.00 0.00 H new ATOM 42 N TYR A 4 0.911 10.852 -1.778 1.00 0.00 N ATOM 43 CA TYR A 4 0.499 9.495 -2.257 1.00 0.00 C ATOM 44 C TYR A 4 1.547 8.452 -1.855 1.00 0.00 C ATOM 45 O TYR A 4 1.222 7.379 -1.389 1.00 0.00 O ATOM 46 CB TYR A 4 0.283 9.496 -3.771 1.00 0.00 C ATOM 47 CG TYR A 4 -1.078 10.048 -4.114 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.202 9.226 -4.010 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.213 11.366 -4.565 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.462 9.716 -4.354 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.477 11.861 -4.905 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.603 11.035 -4.800 1.00 0.00 C ATOM 53 OH TYR A 4 -4.849 11.521 -5.139 1.00 0.00 O ATOM 0 H TYR A 4 1.211 11.511 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.448 9.233 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.056 10.094 -4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.378 8.481 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.096 8.209 -3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.343 12.000 -4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.329 9.077 -4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.584 12.879 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.131 12.187 -4.478 1.00 0.00 H new ATOM 63 N CYS A 5 2.800 8.767 -2.022 1.00 0.00 N ATOM 64 CA CYS A 5 3.866 7.803 -1.639 1.00 0.00 C ATOM 65 C CYS A 5 3.727 7.457 -0.148 1.00 0.00 C ATOM 66 O CYS A 5 3.857 6.314 0.243 1.00 0.00 O ATOM 67 CB CYS A 5 5.243 8.424 -1.900 1.00 0.00 C ATOM 68 SG CYS A 5 5.541 8.492 -3.679 1.00 0.00 S ATOM 0 H CYS A 5 3.132 9.651 -2.407 1.00 0.00 H new ATOM 0 HA CYS A 5 3.766 6.895 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.289 9.426 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.019 7.834 -1.412 1.00 0.00 H new ATOM 73 N GLU A 6 3.478 8.427 0.686 1.00 0.00 N ATOM 74 CA GLU A 6 3.351 8.142 2.144 1.00 0.00 C ATOM 75 C GLU A 6 2.206 7.152 2.400 1.00 0.00 C ATOM 76 O GLU A 6 2.336 6.237 3.189 1.00 0.00 O ATOM 77 CB GLU A 6 3.080 9.452 2.890 1.00 0.00 C ATOM 78 CG GLU A 6 3.182 9.218 4.400 1.00 0.00 C ATOM 79 CD GLU A 6 4.639 8.947 4.779 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.364 9.905 4.994 1.00 0.00 O ATOM 81 OE2 GLU A 6 5.007 7.785 4.848 1.00 0.00 O ATOM 0 H GLU A 6 3.357 9.405 0.422 1.00 0.00 H new ATOM 0 HA GLU A 6 4.279 7.697 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.797 10.212 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.088 9.827 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.811 10.090 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.557 8.374 4.691 1.00 0.00 H new ATOM 88 N VAL A 7 1.080 7.334 1.762 1.00 0.00 N ATOM 89 CA VAL A 7 -0.067 6.406 2.003 1.00 0.00 C ATOM 90 C VAL A 7 0.206 5.020 1.401 1.00 0.00 C ATOM 91 O VAL A 7 -0.101 4.011 2.003 1.00 0.00 O ATOM 92 CB VAL A 7 -1.359 6.996 1.420 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.501 5.989 1.594 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.709 8.318 2.134 1.00 0.00 C ATOM 0 H VAL A 7 0.904 8.080 1.088 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.187 6.288 3.080 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.214 7.201 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.420 6.406 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.254 5.065 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.643 5.779 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.627 8.727 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.851 8.130 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.897 9.032 1.997 1.00 0.00 H new ATOM 104 N CYS A 8 0.775 4.949 0.222 1.00 0.00 N ATOM 105 CA CYS A 8 1.052 3.618 -0.394 1.00 0.00 C ATOM 106 C CYS A 8 1.953 2.811 0.536 1.00 0.00 C ATOM 107 O CYS A 8 1.703 1.654 0.807 1.00 0.00 O ATOM 108 CB CYS A 8 1.740 3.836 -1.753 1.00 0.00 C ATOM 109 SG CYS A 8 3.519 4.093 -1.546 1.00 0.00 S ATOM 0 H CYS A 8 1.058 5.754 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 8 0.123 3.068 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.566 2.973 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.300 4.699 -2.253 1.00 0.00 H new ATOM 114 N GLU A 9 3.000 3.409 1.022 1.00 0.00 N ATOM 115 CA GLU A 9 3.911 2.672 1.922 1.00 0.00 C ATOM 116 C GLU A 9 3.186 2.364 3.227 1.00 0.00 C ATOM 117 O GLU A 9 3.485 1.385 3.884 1.00 0.00 O ATOM 118 CB GLU A 9 5.147 3.525 2.220 1.00 0.00 C ATOM 119 CG GLU A 9 5.975 3.701 0.946 1.00 0.00 C ATOM 120 CD GLU A 9 7.350 4.267 1.305 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.397 5.218 2.067 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.334 3.740 0.811 1.00 0.00 O ATOM 0 H GLU A 9 3.261 4.377 0.833 1.00 0.00 H new ATOM 0 HA GLU A 9 4.221 1.744 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.844 4.499 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.750 3.050 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.086 2.744 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.463 4.372 0.256 1.00 0.00 H new ATOM 129 N PHE A 10 2.228 3.164 3.627 1.00 0.00 N ATOM 130 CA PHE A 10 1.527 2.843 4.895 1.00 0.00 C ATOM 131 C PHE A 10 0.683 1.574 4.704 1.00 0.00 C ATOM 132 O PHE A 10 0.737 0.664 5.509 1.00 0.00 O ATOM 133 CB PHE A 10 0.625 4.002 5.320 1.00 0.00 C ATOM 134 CG PHE A 10 -0.082 3.605 6.590 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.540 3.799 7.826 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.349 3.017 6.525 1.00 0.00 C ATOM 137 CE1 PHE A 10 -0.105 3.407 9.004 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.995 2.618 7.703 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.372 2.815 8.942 1.00 0.00 C ATOM 0 H PHE A 10 1.912 4.003 3.141 1.00 0.00 H new ATOM 0 HA PHE A 10 2.270 2.678 5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.215 4.905 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.098 4.228 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.519 4.252 7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.829 2.871 5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.374 3.561 9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.972 2.159 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.870 2.510 9.851 1.00 0.00 H new ATOM 149 N LEU A 11 -0.080 1.487 3.642 1.00 0.00 N ATOM 150 CA LEU A 11 -0.893 0.253 3.423 1.00 0.00 C ATOM 151 C LEU A 11 0.053 -0.934 3.254 1.00 0.00 C ATOM 152 O LEU A 11 -0.159 -1.985 3.825 1.00 0.00 O ATOM 153 CB LEU A 11 -1.769 0.379 2.163 1.00 0.00 C ATOM 154 CG LEU A 11 -2.787 1.521 2.335 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.329 1.935 0.963 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.961 1.068 3.217 1.00 0.00 C ATOM 0 H LEU A 11 -0.174 2.208 2.926 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.547 0.109 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.141 0.570 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.292 -0.560 1.979 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.285 2.363 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.050 2.744 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.506 2.275 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.817 1.082 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.671 1.888 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.459 0.218 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.587 0.777 4.199 1.00 0.00 H new ATOM 168 N VAL A 12 1.098 -0.792 2.481 1.00 0.00 N ATOM 169 CA VAL A 12 2.037 -1.928 2.296 1.00 0.00 C ATOM 170 C VAL A 12 2.603 -2.348 3.665 1.00 0.00 C ATOM 171 O VAL A 12 2.607 -3.511 4.008 1.00 0.00 O ATOM 172 CB VAL A 12 3.174 -1.469 1.362 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.396 -2.383 1.496 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.685 -1.506 -0.090 1.00 0.00 C ATOM 0 H VAL A 12 1.338 0.060 1.973 1.00 0.00 H new ATOM 0 HA VAL A 12 1.525 -2.783 1.855 1.00 0.00 H new ATOM 0 HB VAL A 12 3.460 -0.455 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.184 -2.038 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.757 -2.359 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.118 -3.403 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.487 -1.182 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.389 -2.523 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.830 -0.840 -0.203 1.00 0.00 H new ATOM 184 N LYS A 13 3.071 -1.405 4.450 1.00 0.00 N ATOM 185 CA LYS A 13 3.630 -1.753 5.794 1.00 0.00 C ATOM 186 C LYS A 13 2.548 -2.456 6.619 1.00 0.00 C ATOM 187 O LYS A 13 2.797 -3.439 7.288 1.00 0.00 O ATOM 188 CB LYS A 13 4.088 -0.467 6.503 1.00 0.00 C ATOM 189 CG LYS A 13 4.307 -0.729 8.005 1.00 0.00 C ATOM 190 CD LYS A 13 5.284 0.303 8.580 1.00 0.00 C ATOM 191 CE LYS A 13 4.793 1.714 8.254 1.00 0.00 C ATOM 192 NZ LYS A 13 3.342 1.823 8.577 1.00 0.00 N ATOM 0 H LYS A 13 3.089 -0.412 4.218 1.00 0.00 H new ATOM 0 HA LYS A 13 4.485 -2.419 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.012 -0.105 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.341 0.315 6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.356 -0.676 8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.699 -1.735 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.368 0.177 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.279 0.148 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.360 2.449 8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.959 1.934 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.120 2.802 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.780 1.560 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.113 1.183 9.364 1.00 0.00 H new ATOM 206 N GLU A 14 1.354 -1.938 6.590 1.00 0.00 N ATOM 207 CA GLU A 14 0.254 -2.547 7.387 1.00 0.00 C ATOM 208 C GLU A 14 -0.136 -3.889 6.768 1.00 0.00 C ATOM 209 O GLU A 14 -0.450 -4.831 7.469 1.00 0.00 O ATOM 210 CB GLU A 14 -0.953 -1.579 7.399 1.00 0.00 C ATOM 211 CG GLU A 14 -1.592 -1.543 8.795 1.00 0.00 C ATOM 212 CD GLU A 14 -2.127 -2.931 9.149 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.326 -3.776 9.517 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.326 -3.126 9.050 1.00 0.00 O ATOM 0 H GLU A 14 1.091 -1.116 6.047 1.00 0.00 H new ATOM 0 HA GLU A 14 0.580 -2.719 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.628 -0.578 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.690 -1.897 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.857 -1.226 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.402 -0.813 8.817 1.00 0.00 H new ATOM 221 N VAL A 15 -0.129 -3.995 5.472 1.00 0.00 N ATOM 222 CA VAL A 15 -0.515 -5.289 4.855 1.00 0.00 C ATOM 223 C VAL A 15 0.544 -6.352 5.172 1.00 0.00 C ATOM 224 O VAL A 15 0.216 -7.484 5.439 1.00 0.00 O ATOM 225 CB VAL A 15 -0.686 -5.116 3.329 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.568 -6.472 2.616 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.067 -4.520 3.036 1.00 0.00 C ATOM 0 H VAL A 15 0.124 -3.252 4.820 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.468 -5.618 5.269 1.00 0.00 H new ATOM 0 HB VAL A 15 0.097 -4.451 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.691 -6.330 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.413 -6.904 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.342 -7.145 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.189 -4.397 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.840 -5.189 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.155 -3.550 3.524 1.00 0.00 H new ATOM 237 N THR A 16 1.809 -6.038 5.118 1.00 0.00 N ATOM 238 CA THR A 16 2.794 -7.120 5.392 1.00 0.00 C ATOM 239 C THR A 16 2.661 -7.612 6.828 1.00 0.00 C ATOM 240 O THR A 16 2.739 -8.797 7.083 1.00 0.00 O ATOM 241 CB THR A 16 4.241 -6.693 5.142 1.00 0.00 C ATOM 242 OG1 THR A 16 4.766 -6.102 6.323 1.00 0.00 O ATOM 243 CG2 THR A 16 4.349 -5.696 3.978 1.00 0.00 C ATOM 0 H THR A 16 2.192 -5.117 4.905 1.00 0.00 H new ATOM 0 HA THR A 16 2.562 -7.923 4.693 1.00 0.00 H new ATOM 0 HB THR A 16 4.814 -7.581 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.694 -5.829 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.393 -5.418 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.966 -6.157 3.067 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.764 -4.805 4.207 1.00 0.00 H new ATOM 251 N LYS A 17 2.445 -6.745 7.775 1.00 0.00 N ATOM 252 CA LYS A 17 2.300 -7.254 9.162 1.00 0.00 C ATOM 253 C LYS A 17 1.096 -8.190 9.171 1.00 0.00 C ATOM 254 O LYS A 17 1.042 -9.166 9.891 1.00 0.00 O ATOM 255 CB LYS A 17 2.064 -6.100 10.150 1.00 0.00 C ATOM 256 CG LYS A 17 1.507 -6.670 11.470 1.00 0.00 C ATOM 257 CD LYS A 17 1.796 -5.727 12.635 1.00 0.00 C ATOM 258 CE LYS A 17 1.327 -6.393 13.934 1.00 0.00 C ATOM 259 NZ LYS A 17 1.868 -5.645 15.103 1.00 0.00 N ATOM 0 H LYS A 17 2.365 -5.735 7.655 1.00 0.00 H new ATOM 0 HA LYS A 17 3.209 -7.770 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.997 -5.567 10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.364 -5.380 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.432 -6.824 11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.953 -7.645 11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.862 -5.506 12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.281 -4.778 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.238 -6.410 13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.663 -7.429 13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.549 -6.098 15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.907 -5.651 15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.526 -4.663 15.075 1.00 0.00 H new ATOM 273 N LEU A 18 0.130 -7.876 8.356 1.00 0.00 N ATOM 274 CA LEU A 18 -1.093 -8.710 8.272 1.00 0.00 C ATOM 275 C LEU A 18 -0.723 -10.016 7.556 1.00 0.00 C ATOM 276 O LEU A 18 -1.179 -11.084 7.911 1.00 0.00 O ATOM 277 CB LEU A 18 -2.177 -7.939 7.488 1.00 0.00 C ATOM 278 CG LEU A 18 -2.799 -6.721 8.276 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.322 -6.862 8.344 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.281 -6.583 9.722 1.00 0.00 C ATOM 0 H LEU A 18 0.139 -7.065 7.737 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.486 -8.938 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.745 -7.573 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.976 -8.630 7.219 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.495 -5.833 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.742 -6.017 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.731 -6.881 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.579 -7.789 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.754 -5.724 10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.522 -7.486 10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.200 -6.441 9.709 1.00 0.00 H new ATOM 292 N ILE A 19 0.137 -9.936 6.575 1.00 0.00 N ATOM 293 CA ILE A 19 0.583 -11.162 5.858 1.00 0.00 C ATOM 294 C ILE A 19 1.499 -11.930 6.805 1.00 0.00 C ATOM 295 O ILE A 19 1.556 -13.143 6.795 1.00 0.00 O ATOM 296 CB ILE A 19 1.356 -10.765 4.589 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.391 -10.093 3.602 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.970 -12.006 3.935 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.165 -9.550 2.398 1.00 0.00 C ATOM 0 H ILE A 19 0.551 -9.067 6.239 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.269 -11.775 5.564 1.00 0.00 H new ATOM 0 HB ILE A 19 2.155 -10.074 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.359 -10.810 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.142 -9.282 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.515 -11.713 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.655 -12.485 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.178 -12.705 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.472 -9.075 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.898 -8.818 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.678 -10.370 1.895 1.00 0.00 H new ATOM 311 N ASP A 20 2.217 -11.215 7.624 1.00 0.00 N ATOM 312 CA ASP A 20 3.143 -11.866 8.584 1.00 0.00 C ATOM 313 C ASP A 20 2.363 -12.455 9.760 1.00 0.00 C ATOM 314 O ASP A 20 2.846 -13.347 10.430 1.00 0.00 O ATOM 315 CB ASP A 20 4.137 -10.827 9.108 1.00 0.00 C ATOM 316 CG ASP A 20 4.830 -10.143 7.928 1.00 0.00 C ATOM 317 OD1 ASP A 20 4.453 -10.423 6.803 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.725 -9.351 8.171 1.00 0.00 O ATOM 0 H ASP A 20 2.200 -10.196 7.668 1.00 0.00 H new ATOM 0 HA ASP A 20 3.675 -12.670 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.618 -10.087 9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.876 -11.307 9.749 1.00 0.00 H new ATOM 323 N ASN A 21 1.165 -11.976 10.035 1.00 0.00 N ATOM 324 CA ASN A 21 0.394 -12.544 11.193 1.00 0.00 C ATOM 325 C ASN A 21 -0.446 -13.738 10.712 1.00 0.00 C ATOM 326 O ASN A 21 -1.116 -14.375 11.496 1.00 0.00 O ATOM 327 CB ASN A 21 -0.480 -11.472 11.851 1.00 0.00 C ATOM 328 CG ASN A 21 -1.154 -12.056 13.095 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.222 -12.793 12.958 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -0.706 -11.837 14.202 1.00 0.00 N flip ATOM 0 H ASN A 21 0.697 -11.231 9.518 1.00 0.00 H new ATOM 0 HA ASN A 21 1.095 -12.893 11.952 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.128 -10.610 12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.234 -11.120 11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.129 -11.261 14.310 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.164 -12.229 15.024 1.00 0.00 H new ATOM 337 N ASN A 22 -0.353 -14.083 9.445 1.00 0.00 N ATOM 338 CA ASN A 22 -1.075 -15.298 8.911 1.00 0.00 C ATOM 339 C ASN A 22 -2.558 -15.035 8.595 1.00 0.00 C ATOM 340 O ASN A 22 -3.398 -15.863 8.884 1.00 0.00 O ATOM 341 CB ASN A 22 -0.978 -16.446 9.941 1.00 0.00 C ATOM 342 CG ASN A 22 -1.004 -17.803 9.224 1.00 0.00 C ATOM 343 OD1 ASN A 22 0.033 -18.591 9.306 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -1.979 -18.147 8.586 1.00 0.00 N flip ATOM 0 H ASN A 22 0.195 -13.574 8.751 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.588 -15.565 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.059 -16.349 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.807 -16.383 10.646 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.790 -17.531 8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.987 -19.052 8.115 1.00 0.00 H new ATOM 351 N LYS A 23 -2.900 -13.925 7.999 1.00 0.00 N ATOM 352 CA LYS A 23 -4.344 -13.673 7.671 1.00 0.00 C ATOM 353 C LYS A 23 -4.595 -14.056 6.200 1.00 0.00 C ATOM 354 O LYS A 23 -3.722 -13.950 5.361 1.00 0.00 O ATOM 355 CB LYS A 23 -4.663 -12.195 7.888 1.00 0.00 C ATOM 356 CG LYS A 23 -4.025 -11.674 9.220 1.00 0.00 C ATOM 357 CD LYS A 23 -5.084 -11.013 10.128 1.00 0.00 C ATOM 358 CE LYS A 23 -4.493 -10.780 11.520 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.559 -10.281 12.434 1.00 0.00 N ATOM 0 H LYS A 23 -2.254 -13.185 7.725 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.985 -14.272 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.288 -11.611 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.743 -12.053 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.555 -12.503 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.238 -10.955 8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.408 -10.066 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.966 -11.650 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.071 -11.707 11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.679 -10.058 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.158 -10.122 13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.942 -9.387 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.322 -10.985 12.495 1.00 0.00 H new ATOM 373 N THR A 24 -5.795 -14.496 5.886 1.00 0.00 N ATOM 374 CA THR A 24 -6.125 -14.882 4.477 1.00 0.00 C ATOM 375 C THR A 24 -6.344 -13.635 3.618 1.00 0.00 C ATOM 376 O THR A 24 -6.366 -12.528 4.110 1.00 0.00 O ATOM 377 CB THR A 24 -7.417 -15.712 4.439 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.536 -14.839 4.365 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.534 -16.568 5.694 1.00 0.00 C ATOM 0 H THR A 24 -6.561 -14.604 6.550 1.00 0.00 H new ATOM 0 HA THR A 24 -5.289 -15.464 4.089 1.00 0.00 H new ATOM 0 HB THR A 24 -7.392 -16.363 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.361 -15.367 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.454 -17.150 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.680 -17.243 5.755 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.551 -15.924 6.573 1.00 0.00 H new ATOM 387 N GLU A 25 -6.539 -13.821 2.338 1.00 0.00 N ATOM 388 CA GLU A 25 -6.790 -12.660 1.435 1.00 0.00 C ATOM 389 C GLU A 25 -8.146 -12.044 1.805 1.00 0.00 C ATOM 390 O GLU A 25 -8.291 -10.842 1.904 1.00 0.00 O ATOM 391 CB GLU A 25 -6.814 -13.151 -0.018 1.00 0.00 C ATOM 392 CG GLU A 25 -6.657 -11.967 -0.972 1.00 0.00 C ATOM 393 CD GLU A 25 -7.076 -12.385 -2.383 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.252 -12.274 -2.688 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.213 -12.809 -3.134 1.00 0.00 O ATOM 0 H GLU A 25 -6.535 -14.731 1.878 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.005 -11.912 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.011 -13.869 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.751 -13.670 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.268 -11.131 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.622 -11.625 -0.976 1.00 0.00 H new ATOM 402 N LYS A 26 -9.144 -12.868 1.990 1.00 0.00 N ATOM 403 CA LYS A 26 -10.503 -12.354 2.332 1.00 0.00 C ATOM 404 C LYS A 26 -10.468 -11.481 3.592 1.00 0.00 C ATOM 405 O LYS A 26 -11.235 -10.548 3.724 1.00 0.00 O ATOM 406 CB LYS A 26 -11.463 -13.530 2.537 1.00 0.00 C ATOM 407 CG LYS A 26 -12.909 -13.021 2.463 1.00 0.00 C ATOM 408 CD LYS A 26 -13.897 -14.187 2.641 1.00 0.00 C ATOM 409 CE LYS A 26 -14.164 -14.870 1.293 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.906 -13.935 0.400 1.00 0.00 N ATOM 0 H LYS A 26 -9.075 -13.883 1.918 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.852 -11.736 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.293 -14.290 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.280 -14.000 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.078 -12.272 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.081 -12.533 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.492 -14.910 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.833 -13.819 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.222 -15.163 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.742 -15.782 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.498 -14.480 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.510 -13.312 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.229 -13.359 -0.140 1.00 0.00 H new ATOM 424 N GLU A 27 -9.604 -11.769 4.516 1.00 0.00 N ATOM 425 CA GLU A 27 -9.548 -10.943 5.758 1.00 0.00 C ATOM 426 C GLU A 27 -8.862 -9.600 5.470 1.00 0.00 C ATOM 427 O GLU A 27 -9.226 -8.584 6.028 1.00 0.00 O ATOM 428 CB GLU A 27 -8.763 -11.691 6.838 1.00 0.00 C ATOM 429 CG GLU A 27 -9.638 -12.787 7.459 1.00 0.00 C ATOM 430 CD GLU A 27 -10.728 -12.145 8.319 1.00 0.00 C ATOM 431 OE1 GLU A 27 -10.392 -11.311 9.143 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.882 -12.500 8.140 1.00 0.00 O ATOM 0 H GLU A 27 -8.934 -12.537 4.471 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.565 -10.758 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.865 -12.132 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.436 -10.994 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.090 -13.394 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.027 -13.454 8.067 1.00 0.00 H new ATOM 439 N ILE A 28 -7.875 -9.574 4.617 1.00 0.00 N ATOM 440 CA ILE A 28 -7.185 -8.280 4.324 1.00 0.00 C ATOM 441 C ILE A 28 -8.189 -7.336 3.668 1.00 0.00 C ATOM 442 O ILE A 28 -8.218 -6.155 3.950 1.00 0.00 O ATOM 443 CB ILE A 28 -5.994 -8.552 3.389 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.211 -9.801 3.913 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.105 -7.305 3.294 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.697 -9.575 4.005 1.00 0.00 C ATOM 0 H ILE A 28 -7.517 -10.385 4.112 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.810 -7.820 5.238 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.344 -8.771 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.591 -10.072 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.405 -10.646 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.265 -7.507 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.687 -6.472 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.731 -7.049 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.216 -10.480 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.305 -9.333 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.493 -8.751 4.688 1.00 0.00 H new ATOM 458 N LEU A 29 -9.018 -7.841 2.801 1.00 0.00 N ATOM 459 CA LEU A 29 -10.022 -6.969 2.138 1.00 0.00 C ATOM 460 C LEU A 29 -11.119 -6.577 3.135 1.00 0.00 C ATOM 461 O LEU A 29 -11.696 -5.514 3.062 1.00 0.00 O ATOM 462 CB LEU A 29 -10.644 -7.731 0.970 1.00 0.00 C ATOM 463 CG LEU A 29 -9.535 -8.256 0.052 1.00 0.00 C ATOM 464 CD1 LEU A 29 -10.168 -9.091 -1.067 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.758 -7.074 -0.557 1.00 0.00 C ATOM 0 H LEU A 29 -9.043 -8.822 2.523 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.534 -6.064 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.245 -8.560 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.314 -7.077 0.411 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.845 -8.873 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.386 -9.469 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.713 -9.929 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.856 -8.469 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.971 -7.453 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.439 -6.450 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.313 -6.481 0.242 1.00 0.00 H new ATOM 477 N ASP A 30 -11.396 -7.433 4.081 1.00 0.00 N ATOM 478 CA ASP A 30 -12.434 -7.107 5.103 1.00 0.00 C ATOM 479 C ASP A 30 -11.906 -5.971 5.989 1.00 0.00 C ATOM 480 O ASP A 30 -12.617 -5.040 6.311 1.00 0.00 O ATOM 481 CB ASP A 30 -12.719 -8.342 5.961 1.00 0.00 C ATOM 482 CG ASP A 30 -13.867 -8.040 6.925 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.940 -7.707 6.452 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.654 -8.147 8.122 1.00 0.00 O ATOM 0 H ASP A 30 -10.949 -8.343 4.191 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.357 -6.799 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.978 -9.188 5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.826 -8.624 6.519 1.00 0.00 H new ATOM 489 N ALA A 31 -10.671 -6.054 6.402 1.00 0.00 N ATOM 490 CA ALA A 31 -10.097 -4.997 7.287 1.00 0.00 C ATOM 491 C ALA A 31 -9.966 -3.671 6.522 1.00 0.00 C ATOM 492 O ALA A 31 -9.972 -2.612 7.117 1.00 0.00 O ATOM 493 CB ALA A 31 -8.722 -5.458 7.778 1.00 0.00 C ATOM 0 H ALA A 31 -10.031 -6.812 6.164 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.759 -4.836 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.292 -4.694 8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.828 -6.389 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.066 -5.620 6.923 1.00 0.00 H new ATOM 499 N PHE A 32 -9.876 -3.698 5.223 1.00 0.00 N ATOM 500 CA PHE A 32 -9.779 -2.415 4.456 1.00 0.00 C ATOM 501 C PHE A 32 -10.954 -1.508 4.837 1.00 0.00 C ATOM 502 O PHE A 32 -10.968 -0.333 4.529 1.00 0.00 O ATOM 503 CB PHE A 32 -9.857 -2.744 2.956 1.00 0.00 C ATOM 504 CG PHE A 32 -8.504 -3.169 2.393 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.432 -3.574 3.223 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.327 -3.148 1.003 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.210 -3.942 2.651 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.101 -3.518 0.440 1.00 0.00 C ATOM 509 CZ PHE A 32 -6.043 -3.911 1.263 1.00 0.00 C ATOM 0 H PHE A 32 -9.865 -4.546 4.656 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.842 -1.907 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.583 -3.542 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.218 -1.871 2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.557 -3.599 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.142 -2.844 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.392 -4.252 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.972 -3.500 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.095 -4.191 0.827 1.00 0.00 H new ATOM 519 N ASP A 33 -11.948 -2.052 5.480 1.00 0.00 N ATOM 520 CA ASP A 33 -13.134 -1.231 5.852 1.00 0.00 C ATOM 521 C ASP A 33 -12.853 -0.407 7.112 1.00 0.00 C ATOM 522 O ASP A 33 -13.523 0.573 7.369 1.00 0.00 O ATOM 523 CB ASP A 33 -14.324 -2.156 6.113 1.00 0.00 C ATOM 524 CG ASP A 33 -14.589 -3.008 4.870 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.525 -2.466 3.780 1.00 0.00 O ATOM 526 OD2 ASP A 33 -14.852 -4.189 5.032 1.00 0.00 O ATOM 0 H ASP A 33 -11.991 -3.031 5.765 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.357 -0.549 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.119 -2.798 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.208 -1.568 6.360 1.00 0.00 H new ATOM 531 N LYS A 34 -11.867 -0.782 7.896 1.00 0.00 N ATOM 532 CA LYS A 34 -11.543 -0.001 9.135 1.00 0.00 C ATOM 533 C LYS A 34 -10.043 0.318 9.165 1.00 0.00 C ATOM 534 O LYS A 34 -9.520 0.768 10.164 1.00 0.00 O ATOM 535 CB LYS A 34 -11.926 -0.807 10.384 1.00 0.00 C ATOM 536 CG LYS A 34 -11.400 -2.239 10.271 1.00 0.00 C ATOM 537 CD LYS A 34 -11.577 -2.958 11.613 1.00 0.00 C ATOM 538 CE LYS A 34 -13.067 -3.146 11.918 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.231 -4.215 12.943 1.00 0.00 N ATOM 0 H LYS A 34 -11.273 -1.595 7.731 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.112 0.929 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.515 -0.330 11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.010 -0.818 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.936 -2.774 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.347 -2.229 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.079 -3.927 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.105 -2.381 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.496 -2.212 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.605 -3.413 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.242 -4.344 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.835 -5.106 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.730 -3.942 13.813 1.00 0.00 H new ATOM 553 N MET A 35 -9.341 0.100 8.079 1.00 0.00 N ATOM 554 CA MET A 35 -7.878 0.409 8.065 1.00 0.00 C ATOM 555 C MET A 35 -7.697 1.908 7.801 1.00 0.00 C ATOM 556 O MET A 35 -6.892 2.553 8.445 1.00 0.00 O ATOM 557 CB MET A 35 -7.178 -0.436 6.973 1.00 0.00 C ATOM 558 CG MET A 35 -5.936 -1.133 7.532 1.00 0.00 C ATOM 559 SD MET A 35 -4.888 -1.688 6.158 1.00 0.00 S ATOM 560 CE MET A 35 -5.150 -3.472 6.341 1.00 0.00 C ATOM 0 H MET A 35 -9.715 -0.276 7.208 1.00 0.00 H new ATOM 0 HA MET A 35 -7.427 0.160 9.025 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.872 -1.180 6.583 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.895 0.205 6.138 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.381 -0.450 8.175 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.229 -1.984 8.148 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.227 -3.931 5.356 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.310 -3.910 6.881 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.070 -3.649 6.897 1.00 0.00 H new ATOM 570 N CYS A 36 -8.434 2.490 6.886 1.00 0.00 N ATOM 571 CA CYS A 36 -8.254 3.947 6.667 1.00 0.00 C ATOM 572 C CYS A 36 -8.687 4.635 7.957 1.00 0.00 C ATOM 573 O CYS A 36 -8.600 5.839 8.092 1.00 0.00 O ATOM 574 CB CYS A 36 -9.091 4.428 5.478 1.00 0.00 C ATOM 575 SG CYS A 36 -8.157 4.194 3.948 1.00 0.00 S ATOM 0 H CYS A 36 -9.131 2.030 6.300 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.216 4.183 6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.029 3.874 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.348 5.480 5.602 1.00 0.00 H new ATOM 580 N SER A 37 -9.151 3.878 8.913 1.00 0.00 N ATOM 581 CA SER A 37 -9.591 4.497 10.202 1.00 0.00 C ATOM 582 C SER A 37 -8.387 4.674 11.138 1.00 0.00 C ATOM 583 O SER A 37 -8.557 4.916 12.317 1.00 0.00 O ATOM 584 CB SER A 37 -10.625 3.597 10.876 1.00 0.00 C ATOM 585 OG SER A 37 -11.288 4.328 11.899 1.00 0.00 O ATOM 0 H SER A 37 -9.245 2.864 8.861 1.00 0.00 H new ATOM 0 HA SER A 37 -10.032 5.472 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.347 3.240 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.139 2.718 11.298 1.00 0.00 H new ATOM 0 HG SER A 37 -10.626 4.809 12.439 1.00 0.00 H new ATOM 591 N LYS A 38 -7.177 4.555 10.634 1.00 0.00 N ATOM 592 CA LYS A 38 -5.964 4.718 11.511 1.00 0.00 C ATOM 593 C LYS A 38 -5.091 5.885 11.015 1.00 0.00 C ATOM 594 O LYS A 38 -3.940 6.000 11.386 1.00 0.00 O ATOM 595 CB LYS A 38 -5.154 3.410 11.505 1.00 0.00 C ATOM 596 CG LYS A 38 -5.817 2.392 12.439 1.00 0.00 C ATOM 597 CD LYS A 38 -5.023 1.085 12.417 1.00 0.00 C ATOM 598 CE LYS A 38 -5.806 0.002 13.163 1.00 0.00 C ATOM 599 NZ LYS A 38 -6.139 0.483 14.533 1.00 0.00 N ATOM 0 H LYS A 38 -6.976 4.352 9.655 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.286 4.942 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.099 3.009 10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.131 3.602 11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.859 2.787 13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.845 2.211 12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.841 0.774 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.048 1.231 12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.719 -0.241 12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.217 -0.913 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.373 -0.329 15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.322 0.989 14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.955 1.126 14.486 1.00 0.00 H new ATOM 613 N LEU A 39 -5.630 6.755 10.187 1.00 0.00 N ATOM 614 CA LEU A 39 -4.837 7.929 9.669 1.00 0.00 C ATOM 615 C LEU A 39 -5.626 9.223 9.958 1.00 0.00 C ATOM 616 O LEU A 39 -6.838 9.210 9.862 1.00 0.00 O ATOM 617 CB LEU A 39 -4.668 7.796 8.146 1.00 0.00 C ATOM 618 CG LEU A 39 -3.947 6.492 7.790 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.947 6.329 6.276 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.493 6.527 8.286 1.00 0.00 C ATOM 0 H LEU A 39 -6.590 6.704 9.845 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.861 7.956 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.645 7.820 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.103 8.646 7.763 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.464 5.659 8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.436 5.404 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.974 6.293 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.430 7.173 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.997 5.593 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.969 7.360 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.481 6.653 9.369 1.00 0.00 H new ATOM 632 N PRO A 40 -4.953 10.315 10.297 1.00 0.00 N ATOM 633 CA PRO A 40 -5.658 11.577 10.574 1.00 0.00 C ATOM 634 C PRO A 40 -6.726 11.860 9.497 1.00 0.00 C ATOM 635 O PRO A 40 -6.660 11.315 8.412 1.00 0.00 O ATOM 636 CB PRO A 40 -4.546 12.654 10.619 1.00 0.00 C ATOM 637 CG PRO A 40 -3.183 11.905 10.628 1.00 0.00 C ATOM 638 CD PRO A 40 -3.479 10.401 10.442 1.00 0.00 C ATOM 0 HA PRO A 40 -6.211 11.554 11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.616 13.316 9.756 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.649 13.277 11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.539 12.271 9.828 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.656 12.079 11.566 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.972 10.005 9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.132 9.822 11.298 1.00 0.00 H new ATOM 646 N LYS A 41 -7.712 12.670 9.763 1.00 0.00 N ATOM 647 CA LYS A 41 -8.755 12.918 8.720 1.00 0.00 C ATOM 648 C LYS A 41 -8.172 13.628 7.493 1.00 0.00 C ATOM 649 O LYS A 41 -8.808 13.713 6.462 1.00 0.00 O ATOM 650 CB LYS A 41 -9.876 13.773 9.302 1.00 0.00 C ATOM 651 CG LYS A 41 -11.119 13.677 8.406 1.00 0.00 C ATOM 652 CD LYS A 41 -12.276 14.445 9.048 1.00 0.00 C ATOM 653 CE LYS A 41 -13.510 14.358 8.146 1.00 0.00 C ATOM 654 NZ LYS A 41 -13.157 14.823 6.774 1.00 0.00 N ATOM 0 H LYS A 41 -7.844 13.167 10.644 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.142 11.949 8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.116 13.437 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.552 14.811 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.901 14.086 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.397 12.633 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.501 14.030 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.995 15.487 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.876 13.332 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.315 14.970 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.964 15.335 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.334 15.457 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.927 14.002 6.178 1.00 0.00 H new ATOM 668 N SER A 42 -7.009 14.205 7.605 1.00 0.00 N ATOM 669 CA SER A 42 -6.468 14.978 6.449 1.00 0.00 C ATOM 670 C SER A 42 -6.049 14.095 5.271 1.00 0.00 C ATOM 671 O SER A 42 -5.914 14.563 4.158 1.00 0.00 O ATOM 672 CB SER A 42 -5.301 15.859 6.897 1.00 0.00 C ATOM 673 OG SER A 42 -4.156 15.045 7.117 1.00 0.00 O ATOM 0 H SER A 42 -6.415 14.177 8.434 1.00 0.00 H new ATOM 0 HA SER A 42 -7.283 15.605 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.086 16.612 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.563 16.393 7.810 1.00 0.00 H new ATOM 0 HG SER A 42 -3.405 15.607 7.403 1.00 0.00 H new ATOM 679 N LEU A 43 -5.867 12.816 5.500 1.00 0.00 N ATOM 680 CA LEU A 43 -5.480 11.882 4.382 1.00 0.00 C ATOM 681 C LEU A 43 -6.602 10.874 4.153 1.00 0.00 C ATOM 682 O LEU A 43 -6.496 10.037 3.281 1.00 0.00 O ATOM 683 CB LEU A 43 -4.181 11.110 4.710 1.00 0.00 C ATOM 684 CG LEU A 43 -3.198 11.976 5.496 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.948 11.156 5.821 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.789 13.203 4.671 1.00 0.00 C ATOM 0 H LEU A 43 -5.969 12.373 6.413 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.311 12.483 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.423 10.217 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.713 10.774 3.785 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.680 12.308 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.245 11.772 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.227 10.288 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.480 10.823 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.089 13.810 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.314 12.877 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.674 13.795 4.436 1.00 0.00 H new ATOM 698 N SER A 44 -7.670 10.937 4.926 1.00 0.00 N ATOM 699 CA SER A 44 -8.807 9.971 4.740 1.00 0.00 C ATOM 700 C SER A 44 -8.969 9.688 3.252 1.00 0.00 C ATOM 701 O SER A 44 -9.102 8.567 2.799 1.00 0.00 O ATOM 702 CB SER A 44 -10.095 10.596 5.278 1.00 0.00 C ATOM 703 OG SER A 44 -11.210 9.836 4.830 1.00 0.00 O ATOM 0 H SER A 44 -7.801 11.616 5.676 1.00 0.00 H new ATOM 0 HA SER A 44 -8.601 9.045 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.072 10.622 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.183 11.627 4.936 1.00 0.00 H new ATOM 0 HG SER A 44 -12.037 10.234 5.175 1.00 0.00 H new ATOM 709 N GLU A 45 -9.115 10.767 2.537 1.00 0.00 N ATOM 710 CA GLU A 45 -9.455 10.759 1.096 1.00 0.00 C ATOM 711 C GLU A 45 -8.481 10.101 0.132 1.00 0.00 C ATOM 712 O GLU A 45 -8.843 9.240 -0.645 1.00 0.00 O ATOM 713 CB GLU A 45 -9.584 12.226 0.671 1.00 0.00 C ATOM 714 CG GLU A 45 -10.073 12.314 -0.778 1.00 0.00 C ATOM 715 CD GLU A 45 -10.662 13.703 -1.045 1.00 0.00 C ATOM 716 OE1 GLU A 45 -9.889 14.613 -1.299 1.00 0.00 O ATOM 717 OE2 GLU A 45 -11.873 13.832 -0.991 1.00 0.00 O ATOM 0 H GLU A 45 -9.005 11.705 2.922 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.357 10.151 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.281 12.744 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.621 12.727 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.247 12.122 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.826 11.548 -0.964 1.00 0.00 H new ATOM 724 N GLU A 46 -7.245 10.496 0.175 1.00 0.00 N ATOM 725 CA GLU A 46 -6.248 9.893 -0.735 1.00 0.00 C ATOM 726 C GLU A 46 -6.157 8.398 -0.467 1.00 0.00 C ATOM 727 O GLU A 46 -5.768 7.635 -1.322 1.00 0.00 O ATOM 728 CB GLU A 46 -4.892 10.556 -0.492 1.00 0.00 C ATOM 729 CG GLU A 46 -5.074 12.074 -0.385 1.00 0.00 C ATOM 730 CD GLU A 46 -5.833 12.590 -1.610 1.00 0.00 C ATOM 731 OE1 GLU A 46 -5.416 12.282 -2.714 1.00 0.00 O ATOM 732 OE2 GLU A 46 -6.818 13.286 -1.423 1.00 0.00 O ATOM 0 H GLU A 46 -6.883 11.213 0.804 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.545 10.047 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.445 10.168 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.208 10.318 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.621 12.321 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.102 12.562 -0.315 1.00 0.00 H new ATOM 739 N CYS A 47 -6.527 7.961 0.699 1.00 0.00 N ATOM 740 CA CYS A 47 -6.465 6.503 0.979 1.00 0.00 C ATOM 741 C CYS A 47 -7.657 5.832 0.300 1.00 0.00 C ATOM 742 O CYS A 47 -7.532 4.796 -0.323 1.00 0.00 O ATOM 743 CB CYS A 47 -6.499 6.274 2.503 1.00 0.00 C ATOM 744 SG CYS A 47 -8.200 6.016 3.083 1.00 0.00 S ATOM 0 H CYS A 47 -6.867 8.543 1.465 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.542 6.073 0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.888 5.408 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.063 7.133 3.013 1.00 0.00 H new ATOM 749 N GLN A 48 -8.813 6.412 0.423 1.00 0.00 N ATOM 750 CA GLN A 48 -10.013 5.801 -0.208 1.00 0.00 C ATOM 751 C GLN A 48 -9.729 5.567 -1.692 1.00 0.00 C ATOM 752 O GLN A 48 -10.048 4.531 -2.242 1.00 0.00 O ATOM 753 CB GLN A 48 -11.219 6.746 -0.027 1.00 0.00 C ATOM 754 CG GLN A 48 -12.520 5.939 0.059 1.00 0.00 C ATOM 755 CD GLN A 48 -12.618 4.987 -1.133 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.968 3.834 -0.976 1.00 0.00 O ATOM 757 NE2 GLN A 48 -12.324 5.423 -2.328 1.00 0.00 N ATOM 0 H GLN A 48 -8.981 7.280 0.931 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.245 4.846 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.091 7.340 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.271 7.444 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.547 5.374 0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.377 6.613 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.030 6.391 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.388 4.796 -3.130 1.00 0.00 H new ATOM 766 N GLU A 49 -9.140 6.530 -2.349 1.00 0.00 N ATOM 767 CA GLU A 49 -8.844 6.375 -3.797 1.00 0.00 C ATOM 768 C GLU A 49 -7.754 5.320 -4.010 1.00 0.00 C ATOM 769 O GLU A 49 -7.824 4.522 -4.923 1.00 0.00 O ATOM 770 CB GLU A 49 -8.372 7.718 -4.363 1.00 0.00 C ATOM 771 CG GLU A 49 -7.956 7.541 -5.825 1.00 0.00 C ATOM 772 CD GLU A 49 -7.781 8.913 -6.476 1.00 0.00 C ATOM 773 OE1 GLU A 49 -6.690 9.453 -6.389 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.740 9.402 -7.051 1.00 0.00 O ATOM 0 H GLU A 49 -8.851 7.419 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.749 6.052 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.170 8.456 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.533 8.096 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.025 6.978 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.711 6.966 -6.362 1.00 0.00 H new ATOM 781 N VAL A 50 -6.748 5.301 -3.171 1.00 0.00 N ATOM 782 CA VAL A 50 -5.672 4.285 -3.339 1.00 0.00 C ATOM 783 C VAL A 50 -6.233 2.904 -3.012 1.00 0.00 C ATOM 784 O VAL A 50 -6.073 1.966 -3.766 1.00 0.00 O ATOM 785 CB VAL A 50 -4.488 4.579 -2.404 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.381 3.543 -2.644 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.939 6.000 -2.670 1.00 0.00 C ATOM 0 H VAL A 50 -6.628 5.940 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.320 4.320 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.826 4.521 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.540 3.749 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.767 2.544 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.049 3.599 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.101 6.197 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.603 6.073 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.725 6.733 -2.491 1.00 0.00 H new ATOM 797 N VAL A 51 -6.861 2.758 -1.872 1.00 0.00 N ATOM 798 CA VAL A 51 -7.392 1.421 -1.490 1.00 0.00 C ATOM 799 C VAL A 51 -8.427 0.954 -2.522 1.00 0.00 C ATOM 800 O VAL A 51 -8.373 -0.149 -3.023 1.00 0.00 O ATOM 801 CB VAL A 51 -7.976 1.477 -0.069 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.416 0.086 0.374 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.917 2.001 0.908 1.00 0.00 C ATOM 0 H VAL A 51 -7.026 3.503 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.583 0.690 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.837 2.145 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.828 0.138 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.177 -0.290 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.558 -0.586 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.336 2.039 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.053 1.336 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.607 3.002 0.606 1.00 0.00 H new ATOM 813 N ASP A 52 -9.407 1.778 -2.785 1.00 0.00 N ATOM 814 CA ASP A 52 -10.507 1.395 -3.719 1.00 0.00 C ATOM 815 C ASP A 52 -10.008 1.157 -5.146 1.00 0.00 C ATOM 816 O ASP A 52 -10.430 0.232 -5.811 1.00 0.00 O ATOM 817 CB ASP A 52 -11.552 2.515 -3.738 1.00 0.00 C ATOM 818 CG ASP A 52 -12.739 2.092 -4.604 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.589 1.376 -4.098 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.780 2.490 -5.756 1.00 0.00 O ATOM 0 H ASP A 52 -9.493 2.713 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.935 0.459 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.887 2.731 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.111 3.432 -4.130 1.00 0.00 H new ATOM 825 N THR A 53 -9.137 1.995 -5.633 1.00 0.00 N ATOM 826 CA THR A 53 -8.639 1.831 -7.027 1.00 0.00 C ATOM 827 C THR A 53 -7.444 0.884 -7.073 1.00 0.00 C ATOM 828 O THR A 53 -7.319 0.100 -7.992 1.00 0.00 O ATOM 829 CB THR A 53 -8.227 3.201 -7.574 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.301 4.116 -7.405 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.887 3.083 -9.060 1.00 0.00 C ATOM 0 H THR A 53 -8.747 2.789 -5.125 1.00 0.00 H new ATOM 0 HA THR A 53 -9.436 1.405 -7.636 1.00 0.00 H new ATOM 0 HB THR A 53 -7.351 3.559 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.209 4.573 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.594 4.060 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.064 2.380 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.760 2.725 -9.606 1.00 0.00 H new ATOM 839 N TYR A 54 -6.547 0.961 -6.121 1.00 0.00 N ATOM 840 CA TYR A 54 -5.340 0.073 -6.156 1.00 0.00 C ATOM 841 C TYR A 54 -5.364 -0.986 -5.048 1.00 0.00 C ATOM 842 O TYR A 54 -4.342 -1.378 -4.526 1.00 0.00 O ATOM 843 CB TYR A 54 -4.089 0.927 -6.007 1.00 0.00 C ATOM 844 CG TYR A 54 -3.939 1.820 -7.215 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.556 3.071 -7.231 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.182 1.402 -8.316 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.424 3.910 -8.337 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.045 2.242 -9.430 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.665 3.498 -9.439 1.00 0.00 C ATOM 850 OH TYR A 54 -3.531 4.325 -10.535 1.00 0.00 O ATOM 0 H TYR A 54 -6.596 1.596 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.341 -0.451 -7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.154 1.531 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.211 0.289 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.140 3.392 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.704 0.434 -8.307 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.907 4.876 -8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.462 1.921 -10.281 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.971 3.886 -11.209 1.00 0.00 H new ATOM 860 N GLY A 55 -6.532 -1.418 -4.656 1.00 0.00 N ATOM 861 CA GLY A 55 -6.634 -2.410 -3.548 1.00 0.00 C ATOM 862 C GLY A 55 -6.370 -3.832 -4.037 1.00 0.00 C ATOM 863 O GLY A 55 -5.555 -4.540 -3.479 1.00 0.00 O ATOM 0 H GLY A 55 -7.423 -1.125 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.919 -2.156 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.627 -2.357 -3.102 1.00 0.00 H new ATOM 867 N SER A 56 -7.062 -4.279 -5.049 1.00 0.00 N ATOM 868 CA SER A 56 -6.837 -5.672 -5.512 1.00 0.00 C ATOM 869 C SER A 56 -5.449 -5.796 -6.122 1.00 0.00 C ATOM 870 O SER A 56 -4.859 -6.858 -6.149 1.00 0.00 O ATOM 871 CB SER A 56 -7.876 -6.054 -6.564 1.00 0.00 C ATOM 872 OG SER A 56 -9.138 -5.509 -6.201 1.00 0.00 O ATOM 0 H SER A 56 -7.762 -3.748 -5.567 1.00 0.00 H new ATOM 0 HA SER A 56 -6.926 -6.340 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.574 -5.680 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.946 -7.139 -6.645 1.00 0.00 H new ATOM 0 HG SER A 56 -9.806 -5.752 -6.876 1.00 0.00 H new ATOM 878 N SER A 57 -4.955 -4.724 -6.683 1.00 0.00 N ATOM 879 CA SER A 57 -3.640 -4.800 -7.370 1.00 0.00 C ATOM 880 C SER A 57 -2.479 -4.824 -6.376 1.00 0.00 C ATOM 881 O SER A 57 -1.607 -5.661 -6.464 1.00 0.00 O ATOM 882 CB SER A 57 -3.482 -3.638 -8.349 1.00 0.00 C ATOM 883 OG SER A 57 -3.519 -2.411 -7.632 1.00 0.00 O ATOM 0 H SER A 57 -5.403 -3.808 -6.694 1.00 0.00 H new ATOM 0 HA SER A 57 -3.614 -5.737 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.540 -3.728 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.279 -3.662 -9.092 1.00 0.00 H new ATOM 0 HG SER A 57 -3.416 -1.663 -8.257 1.00 0.00 H new ATOM 889 N ILE A 58 -2.478 -3.949 -5.403 1.00 0.00 N ATOM 890 CA ILE A 58 -1.383 -3.962 -4.389 1.00 0.00 C ATOM 891 C ILE A 58 -1.317 -5.344 -3.749 1.00 0.00 C ATOM 892 O ILE A 58 -0.286 -5.985 -3.689 1.00 0.00 O ATOM 893 CB ILE A 58 -1.682 -2.929 -3.282 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.468 -1.507 -3.827 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.739 -3.168 -2.084 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.931 -0.471 -2.791 1.00 0.00 C ATOM 0 H ILE A 58 -3.187 -3.228 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.440 -3.718 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.717 -3.039 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.415 -1.353 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.023 -1.377 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.951 -2.438 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.895 -4.173 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.296 -3.062 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.776 0.533 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.990 -0.617 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.356 -0.593 -1.873 1.00 0.00 H new ATOM 908 N LEU A 59 -2.434 -5.773 -3.247 1.00 0.00 N ATOM 909 CA LEU A 59 -2.511 -7.083 -2.566 1.00 0.00 C ATOM 910 C LEU A 59 -2.160 -8.192 -3.554 1.00 0.00 C ATOM 911 O LEU A 59 -1.768 -9.269 -3.169 1.00 0.00 O ATOM 912 CB LEU A 59 -3.942 -7.261 -2.016 1.00 0.00 C ATOM 913 CG LEU A 59 -4.285 -8.740 -1.699 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.297 -9.332 -0.671 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.727 -8.817 -1.125 1.00 0.00 C ATOM 0 H LEU A 59 -3.314 -5.259 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.802 -7.131 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.055 -6.665 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.656 -6.875 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.211 -9.317 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.562 -10.370 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.284 -9.288 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.346 -8.757 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.974 -9.855 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.788 -8.224 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.432 -8.427 -1.859 1.00 0.00 H new ATOM 927 N SER A 60 -2.324 -7.980 -4.833 1.00 0.00 N ATOM 928 CA SER A 60 -2.018 -9.093 -5.777 1.00 0.00 C ATOM 929 C SER A 60 -0.501 -9.172 -5.994 1.00 0.00 C ATOM 930 O SER A 60 0.069 -10.234 -6.152 1.00 0.00 O ATOM 931 CB SER A 60 -2.724 -8.830 -7.103 1.00 0.00 C ATOM 932 OG SER A 60 -4.095 -9.185 -6.984 1.00 0.00 O ATOM 0 H SER A 60 -2.647 -7.110 -5.256 1.00 0.00 H new ATOM 0 HA SER A 60 -2.368 -10.039 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.631 -7.779 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.255 -9.408 -7.899 1.00 0.00 H new ATOM 0 HG SER A 60 -4.581 -8.465 -6.530 1.00 0.00 H new ATOM 938 N ILE A 61 0.145 -8.034 -6.012 1.00 0.00 N ATOM 939 CA ILE A 61 1.621 -7.987 -6.228 1.00 0.00 C ATOM 940 C ILE A 61 2.366 -8.547 -5.011 1.00 0.00 C ATOM 941 O ILE A 61 3.269 -9.350 -5.140 1.00 0.00 O ATOM 942 CB ILE A 61 2.046 -6.521 -6.430 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.106 -5.821 -7.469 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.514 -6.480 -6.869 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.889 -5.147 -8.610 1.00 0.00 C ATOM 0 H ILE A 61 -0.295 -7.123 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 61 1.867 -8.589 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 61 1.953 -5.973 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.421 -6.558 -7.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.498 -5.074 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.822 -5.444 -7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.136 -6.939 -6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.629 -7.027 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.191 -4.677 -9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.555 -4.390 -8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.476 -5.896 -9.140 1.00 0.00 H new ATOM 957 N LEU A 62 2.017 -8.104 -3.835 1.00 0.00 N ATOM 958 CA LEU A 62 2.728 -8.578 -2.614 1.00 0.00 C ATOM 959 C LEU A 62 2.672 -10.115 -2.540 1.00 0.00 C ATOM 960 O LEU A 62 3.617 -10.763 -2.140 1.00 0.00 O ATOM 961 CB LEU A 62 2.062 -7.940 -1.373 1.00 0.00 C ATOM 962 CG LEU A 62 3.079 -7.063 -0.616 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.374 -6.292 0.515 1.00 0.00 C ATOM 964 CD2 LEU A 62 4.209 -7.955 -0.042 1.00 0.00 C ATOM 0 H LEU A 62 1.268 -7.432 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 62 3.776 -8.281 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.207 -7.337 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.682 -8.720 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 62 3.515 -6.340 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.101 -5.676 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.597 -5.655 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.923 -6.999 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.927 -7.333 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.782 -8.687 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.714 -8.473 -0.858 1.00 0.00 H new ATOM 976 N LEU A 63 1.567 -10.689 -2.922 1.00 0.00 N ATOM 977 CA LEU A 63 1.426 -12.174 -2.879 1.00 0.00 C ATOM 978 C LEU A 63 2.328 -12.824 -3.937 1.00 0.00 C ATOM 979 O LEU A 63 2.528 -14.022 -3.929 1.00 0.00 O ATOM 980 CB LEU A 63 -0.046 -12.548 -3.123 1.00 0.00 C ATOM 981 CG LEU A 63 -0.867 -12.455 -1.819 1.00 0.00 C ATOM 982 CD1 LEU A 63 -0.488 -11.213 -1.005 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.357 -12.397 -2.168 1.00 0.00 C ATOM 0 H LEU A 63 0.747 -10.190 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 63 1.733 -12.541 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.474 -11.883 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.106 -13.560 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.650 -13.335 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.085 -11.179 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.569 -11.257 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.678 -10.318 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.943 -12.331 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.552 -11.521 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.638 -13.297 -2.714 1.00 0.00 H new ATOM 995 N GLU A 64 2.878 -12.061 -4.845 1.00 0.00 N ATOM 996 CA GLU A 64 3.763 -12.671 -5.886 1.00 0.00 C ATOM 997 C GLU A 64 5.198 -12.717 -5.355 1.00 0.00 C ATOM 998 O GLU A 64 6.085 -13.192 -6.033 1.00 0.00 O ATOM 999 CB GLU A 64 3.702 -11.847 -7.175 1.00 0.00 C ATOM 1000 CG GLU A 64 2.386 -12.128 -7.903 1.00 0.00 C ATOM 1001 CD GLU A 64 2.409 -13.547 -8.475 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.280 -13.826 -9.282 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.554 -14.330 -8.097 1.00 0.00 O ATOM 0 H GLU A 64 2.756 -11.051 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 64 3.425 -13.683 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.781 -10.785 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.546 -12.097 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.547 -12.016 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.240 -11.404 -8.705 1.00 0.00 H new ATOM 1010 N GLU A 65 5.423 -12.251 -4.143 1.00 0.00 N ATOM 1011 CA GLU A 65 6.806 -12.306 -3.546 1.00 0.00 C ATOM 1012 C GLU A 65 7.692 -11.153 -4.044 1.00 0.00 C ATOM 1013 O GLU A 65 8.903 -11.254 -4.071 1.00 0.00 O ATOM 1014 CB GLU A 65 7.476 -13.650 -3.945 1.00 0.00 C ATOM 1015 CG GLU A 65 8.406 -14.124 -2.827 1.00 0.00 C ATOM 1016 CD GLU A 65 9.217 -15.328 -3.308 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.640 -16.185 -3.957 1.00 0.00 O ATOM 1018 OE2 GLU A 65 10.402 -15.372 -3.020 1.00 0.00 O ATOM 0 H GLU A 65 4.711 -11.836 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 65 6.706 -12.219 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.712 -14.403 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.040 -13.524 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.076 -13.317 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.824 -14.394 -1.946 1.00 0.00 H new ATOM 1025 N VAL A 66 7.098 -10.048 -4.397 1.00 0.00 N ATOM 1026 CA VAL A 66 7.888 -8.861 -4.846 1.00 0.00 C ATOM 1027 C VAL A 66 8.183 -8.008 -3.599 1.00 0.00 C ATOM 1028 O VAL A 66 7.372 -7.917 -2.699 1.00 0.00 O ATOM 1029 CB VAL A 66 7.036 -8.069 -5.858 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.442 -6.591 -5.875 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.224 -8.659 -7.263 1.00 0.00 C ATOM 0 H VAL A 66 6.087 -9.912 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 66 8.824 -9.149 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 66 5.991 -8.143 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.827 -6.053 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.297 -6.162 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.491 -6.505 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.621 -8.098 -7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.275 -8.596 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.910 -9.703 -7.264 1.00 0.00 H new ATOM 1041 N SER A 67 9.333 -7.383 -3.534 1.00 0.00 N ATOM 1042 CA SER A 67 9.652 -6.546 -2.338 1.00 0.00 C ATOM 1043 C SER A 67 8.479 -5.573 -2.085 1.00 0.00 C ATOM 1044 O SER A 67 7.817 -5.178 -3.022 1.00 0.00 O ATOM 1045 CB SER A 67 10.949 -5.757 -2.588 1.00 0.00 C ATOM 1046 OG SER A 67 11.803 -6.518 -3.432 1.00 0.00 O ATOM 0 H SER A 67 10.058 -7.416 -4.251 1.00 0.00 H new ATOM 0 HA SER A 67 9.794 -7.183 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.721 -4.797 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.448 -5.544 -1.642 1.00 0.00 H new ATOM 0 HG SER A 67 12.630 -6.019 -3.596 1.00 0.00 H new ATOM 1052 N PRO A 68 8.234 -5.212 -0.838 1.00 0.00 N ATOM 1053 CA PRO A 68 7.122 -4.293 -0.512 1.00 0.00 C ATOM 1054 C PRO A 68 7.353 -2.892 -1.110 1.00 0.00 C ATOM 1055 O PRO A 68 6.424 -2.216 -1.499 1.00 0.00 O ATOM 1056 CB PRO A 68 7.123 -4.217 1.036 1.00 0.00 C ATOM 1057 CG PRO A 68 8.424 -4.903 1.532 1.00 0.00 C ATOM 1058 CD PRO A 68 9.014 -5.675 0.336 1.00 0.00 C ATOM 0 HA PRO A 68 6.176 -4.646 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.084 -3.180 1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.245 -4.717 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.134 -4.162 1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.211 -5.579 2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.076 -5.463 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.918 -6.752 0.475 1.00 0.00 H new ATOM 1066 N GLU A 69 8.572 -2.433 -1.139 1.00 0.00 N ATOM 1067 CA GLU A 69 8.847 -1.058 -1.658 1.00 0.00 C ATOM 1068 C GLU A 69 8.804 -1.022 -3.194 1.00 0.00 C ATOM 1069 O GLU A 69 8.631 0.029 -3.797 1.00 0.00 O ATOM 1070 CB GLU A 69 10.229 -0.621 -1.155 1.00 0.00 C ATOM 1071 CG GLU A 69 10.697 0.646 -1.882 1.00 0.00 C ATOM 1072 CD GLU A 69 9.586 1.699 -1.861 1.00 0.00 C ATOM 1073 OE1 GLU A 69 9.120 2.017 -0.779 1.00 0.00 O ATOM 1074 OE2 GLU A 69 9.220 2.167 -2.927 1.00 0.00 O ATOM 0 H GLU A 69 9.394 -2.949 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 69 8.078 -0.376 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.189 -0.436 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.949 -1.424 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.593 1.041 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.964 0.407 -2.911 1.00 0.00 H new ATOM 1081 N LEU A 70 8.927 -2.143 -3.845 1.00 0.00 N ATOM 1082 CA LEU A 70 8.863 -2.098 -5.331 1.00 0.00 C ATOM 1083 C LEU A 70 7.415 -1.812 -5.722 1.00 0.00 C ATOM 1084 O LEU A 70 7.119 -1.487 -6.850 1.00 0.00 O ATOM 1085 CB LEU A 70 9.334 -3.418 -5.963 1.00 0.00 C ATOM 1086 CG LEU A 70 10.868 -3.539 -5.883 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.292 -5.012 -5.971 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.536 -2.780 -7.035 1.00 0.00 C ATOM 0 H LEU A 70 9.065 -3.064 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 70 9.529 -1.318 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.870 -4.260 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.014 -3.464 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 70 11.182 -3.112 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.378 -5.082 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.848 -5.568 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.951 -5.433 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.619 -2.880 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.201 -3.194 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.264 -1.726 -6.982 1.00 0.00 H new ATOM 1100 N VAL A 71 6.505 -1.961 -4.789 1.00 0.00 N ATOM 1101 CA VAL A 71 5.069 -1.733 -5.109 1.00 0.00 C ATOM 1102 C VAL A 71 4.825 -0.265 -5.463 1.00 0.00 C ATOM 1103 O VAL A 71 4.305 0.034 -6.513 1.00 0.00 O ATOM 1104 CB VAL A 71 4.188 -2.161 -3.910 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.800 -1.473 -3.943 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.006 -3.682 -3.925 1.00 0.00 C ATOM 0 H VAL A 71 6.698 -2.230 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 71 4.800 -2.338 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 71 4.694 -1.852 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.212 -1.799 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.929 -0.391 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.281 -1.744 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.386 -3.983 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.523 -3.981 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.980 -4.166 -3.850 1.00 0.00 H new ATOM 1116 N CYS A 72 5.152 0.662 -4.612 1.00 0.00 N ATOM 1117 CA CYS A 72 4.854 2.072 -4.973 1.00 0.00 C ATOM 1118 C CYS A 72 5.675 2.482 -6.204 1.00 0.00 C ATOM 1119 O CYS A 72 5.281 3.340 -6.969 1.00 0.00 O ATOM 1120 CB CYS A 72 5.182 2.988 -3.787 1.00 0.00 C ATOM 1121 SG CYS A 72 4.330 2.407 -2.305 1.00 0.00 S ATOM 0 H CYS A 72 5.600 0.513 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 72 3.795 2.167 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.258 3.003 -3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.881 4.011 -4.013 1.00 0.00 H new ATOM 1126 N SER A 73 6.811 1.856 -6.407 1.00 0.00 N ATOM 1127 CA SER A 73 7.646 2.198 -7.602 1.00 0.00 C ATOM 1128 C SER A 73 7.078 1.539 -8.877 1.00 0.00 C ATOM 1129 O SER A 73 7.043 2.149 -9.928 1.00 0.00 O ATOM 1130 CB SER A 73 9.077 1.725 -7.379 1.00 0.00 C ATOM 1131 OG SER A 73 9.478 2.039 -6.052 1.00 0.00 O ATOM 0 H SER A 73 7.193 1.129 -5.802 1.00 0.00 H new ATOM 0 HA SER A 73 7.631 3.280 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.146 0.650 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.745 2.203 -8.095 1.00 0.00 H new ATOM 0 HG SER A 73 9.156 1.344 -5.440 1.00 0.00 H new ATOM 1137 N MET A 74 6.644 0.307 -8.805 1.00 0.00 N ATOM 1138 CA MET A 74 6.092 -0.372 -10.026 1.00 0.00 C ATOM 1139 C MET A 74 4.714 0.215 -10.399 1.00 0.00 C ATOM 1140 O MET A 74 4.418 0.409 -11.560 1.00 0.00 O ATOM 1141 CB MET A 74 5.959 -1.891 -9.749 1.00 0.00 C ATOM 1142 CG MET A 74 7.212 -2.665 -10.220 1.00 0.00 C ATOM 1143 SD MET A 74 7.536 -4.073 -9.120 1.00 0.00 S ATOM 1144 CE MET A 74 5.837 -4.660 -8.916 1.00 0.00 C ATOM 0 H MET A 74 6.646 -0.261 -7.958 1.00 0.00 H new ATOM 0 HA MET A 74 6.773 -0.207 -10.861 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.808 -2.055 -8.682 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.077 -2.279 -10.259 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.067 -3.019 -11.241 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.075 -1.999 -10.233 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.845 -5.725 -8.683 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.359 -4.114 -8.102 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.282 -4.495 -9.839 1.00 0.00 H new ATOM 1154 N LEU A 75 3.865 0.486 -9.442 1.00 0.00 N ATOM 1155 CA LEU A 75 2.517 1.038 -9.790 1.00 0.00 C ATOM 1156 C LEU A 75 2.639 2.504 -10.240 1.00 0.00 C ATOM 1157 O LEU A 75 1.672 3.237 -10.241 1.00 0.00 O ATOM 1158 CB LEU A 75 1.580 0.943 -8.573 1.00 0.00 C ATOM 1159 CG LEU A 75 1.525 -0.503 -8.036 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.398 -0.628 -7.009 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.277 -1.498 -9.178 1.00 0.00 C ATOM 0 H LEU A 75 4.041 0.352 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 75 2.101 0.452 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.927 1.615 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.579 1.270 -8.853 1.00 0.00 H new ATOM 0 HG LEU A 75 2.483 -0.733 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.361 -1.650 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.582 0.058 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.553 -0.381 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.242 -2.511 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.328 -1.267 -9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.084 -1.424 -9.907 1.00 0.00 H new ATOM 1173 N HIS A 76 3.820 2.932 -10.603 1.00 0.00 N ATOM 1174 CA HIS A 76 4.017 4.353 -11.046 1.00 0.00 C ATOM 1175 C HIS A 76 3.308 5.299 -10.068 1.00 0.00 C ATOM 1176 O HIS A 76 3.050 6.442 -10.388 1.00 0.00 O ATOM 1177 CB HIS A 76 3.475 4.548 -12.470 1.00 0.00 C ATOM 1178 CG HIS A 76 1.973 4.491 -12.470 1.00 0.00 C ATOM 1179 ND1 HIS A 76 1.192 5.544 -12.023 1.00 0.00 N ATOM 1180 CD2 HIS A 76 1.093 3.510 -12.860 1.00 0.00 C ATOM 1181 CE1 HIS A 76 -0.096 5.177 -12.152 1.00 0.00 C ATOM 1182 NE2 HIS A 76 -0.212 3.946 -12.658 1.00 0.00 N ATOM 0 H HIS A 76 4.664 2.359 -10.613 1.00 0.00 H new ATOM 0 HA HIS A 76 5.083 4.582 -11.052 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.809 5.507 -12.865 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.875 3.776 -13.127 1.00 0.00 H new ATOM 0 HD1 HIS A 76 1.532 6.435 -11.662 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.372 2.547 -13.262 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.934 5.801 -11.880 1.00 0.00 H new ATOM 1190 N LEU A 77 2.988 4.852 -8.890 1.00 0.00 N ATOM 1191 CA LEU A 77 2.297 5.748 -7.920 1.00 0.00 C ATOM 1192 C LEU A 77 3.342 6.671 -7.272 1.00 0.00 C ATOM 1193 O LEU A 77 3.004 7.659 -6.650 1.00 0.00 O ATOM 1194 CB LEU A 77 1.560 4.869 -6.871 1.00 0.00 C ATOM 1195 CG LEU A 77 0.043 5.154 -6.861 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.563 5.082 -8.287 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.660 4.145 -5.939 1.00 0.00 C ATOM 0 H LEU A 77 3.173 3.907 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 77 1.555 6.376 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.732 3.816 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.974 5.059 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.111 6.167 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.632 5.288 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.079 5.821 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.404 4.086 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.731 4.345 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.482 3.133 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.265 4.240 -4.927 1.00 0.00 H new ATOM 1209 N CYS A 78 4.608 6.370 -7.440 1.00 0.00 N ATOM 1210 CA CYS A 78 5.693 7.239 -6.870 1.00 0.00 C ATOM 1211 C CYS A 78 6.693 7.549 -7.988 1.00 0.00 C ATOM 1212 O CYS A 78 7.274 8.613 -8.059 1.00 0.00 O ATOM 1213 CB CYS A 78 6.423 6.500 -5.753 1.00 0.00 C ATOM 1214 SG CYS A 78 5.426 6.564 -4.254 1.00 0.00 S ATOM 0 H CYS A 78 4.941 5.553 -7.952 1.00 0.00 H new ATOM 0 HA CYS A 78 5.258 8.154 -6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.602 5.464 -6.042 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.398 6.954 -5.576 1.00 0.00 H new ATOM 1219 N SER A 79 6.874 6.598 -8.862 1.00 0.00 N ATOM 1220 CA SER A 79 7.810 6.749 -10.012 1.00 0.00 C ATOM 1221 C SER A 79 9.258 6.794 -9.516 1.00 0.00 C ATOM 1222 O SER A 79 10.191 6.838 -10.295 1.00 0.00 O ATOM 1223 CB SER A 79 7.478 8.010 -10.811 1.00 0.00 C ATOM 1224 OG SER A 79 8.016 7.890 -12.122 1.00 0.00 O ATOM 0 H SER A 79 6.398 5.697 -8.825 1.00 0.00 H new ATOM 0 HA SER A 79 7.695 5.887 -10.669 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.398 8.150 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.891 8.888 -10.315 1.00 0.00 H new ATOM 0 HG SER A 79 8.885 7.439 -12.079 1.00 0.00 H new ATOM 1230 N GLY A 80 9.455 6.790 -8.223 1.00 0.00 N ATOM 1231 CA GLY A 80 10.842 6.837 -7.668 1.00 0.00 C ATOM 1232 C GLY A 80 11.225 8.291 -7.374 1.00 0.00 C ATOM 1233 O GLY A 80 10.418 9.066 -6.905 1.00 0.00 O ATOM 0 H GLY A 80 8.712 6.756 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.901 6.243 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.544 6.401 -8.378 1.00 0.00 H new ATOM 1237 N LEU A 81 12.455 8.656 -7.639 1.00 0.00 N ATOM 1238 CA LEU A 81 12.923 10.054 -7.375 1.00 0.00 C ATOM 1239 C LEU A 81 12.910 10.329 -5.866 1.00 0.00 C ATOM 1240 O LEU A 81 13.352 11.362 -5.403 1.00 0.00 O ATOM 1241 CB LEU A 81 12.002 11.067 -8.080 1.00 0.00 C ATOM 1242 CG LEU A 81 11.715 10.613 -9.518 1.00 0.00 C ATOM 1243 CD1 LEU A 81 10.985 11.731 -10.264 1.00 0.00 C ATOM 1244 CD2 LEU A 81 13.034 10.297 -10.234 1.00 0.00 C ATOM 0 H LEU A 81 13.164 8.037 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 81 13.937 10.160 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.067 11.164 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.471 12.051 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 81 11.094 9.718 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.779 11.413 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.046 11.954 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.609 12.625 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.826 9.975 -11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.659 11.190 -10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.555 9.501 -9.702 1.00 0.00 H new ATOM 1256 N VAL A 82 12.370 9.408 -5.104 1.00 0.00 N ATOM 1257 CA VAL A 82 12.275 9.594 -3.619 1.00 0.00 C ATOM 1258 C VAL A 82 13.381 8.780 -2.893 1.00 0.00 C ATOM 1259 O VAL A 82 13.433 7.578 -3.053 1.00 0.00 O ATOM 1260 CB VAL A 82 10.895 9.105 -3.131 1.00 0.00 C ATOM 1261 CG1 VAL A 82 9.824 10.146 -3.471 1.00 0.00 C ATOM 1262 CG2 VAL A 82 10.527 7.776 -3.804 1.00 0.00 C ATOM 0 H VAL A 82 11.988 8.528 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 82 12.405 10.652 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 82 10.945 8.961 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.852 9.795 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.065 11.089 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.792 10.295 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.551 7.446 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.492 7.913 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.276 7.024 -3.558 1.00 0.00 H new ATOM 1272 N PRO A 83 14.227 9.420 -2.087 1.00 0.00 N ATOM 1273 CA PRO A 83 15.269 8.673 -1.347 1.00 0.00 C ATOM 1274 C PRO A 83 14.563 7.726 -0.358 1.00 0.00 C ATOM 1275 O PRO A 83 13.481 8.019 0.109 1.00 0.00 O ATOM 1276 CB PRO A 83 16.095 9.764 -0.609 1.00 0.00 C ATOM 1277 CG PRO A 83 15.412 11.134 -0.881 1.00 0.00 C ATOM 1278 CD PRO A 83 14.236 10.886 -1.850 1.00 0.00 C ATOM 0 HA PRO A 83 15.916 8.066 -1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.130 9.559 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 83 17.125 9.772 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.055 11.575 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.123 11.837 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.293 11.220 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.372 11.434 -2.782 1.00 0.00 H new ATOM 1286 N ARG A 84 15.147 6.597 -0.030 1.00 0.00 N ATOM 1287 CA ARG A 84 14.469 5.676 0.925 1.00 0.00 C ATOM 1288 C ARG A 84 14.657 6.192 2.352 1.00 0.00 C ATOM 1289 O ARG A 84 13.964 5.708 3.232 1.00 0.00 O ATOM 1290 CB ARG A 84 15.081 4.278 0.803 1.00 0.00 C ATOM 1291 CG ARG A 84 15.046 3.831 -0.660 1.00 0.00 C ATOM 1292 CD ARG A 84 15.776 2.494 -0.804 1.00 0.00 C ATOM 1293 NE ARG A 84 15.532 1.939 -2.165 1.00 0.00 N ATOM 1294 CZ ARG A 84 16.281 0.972 -2.619 1.00 0.00 C ATOM 1295 NH1 ARG A 84 17.243 0.491 -1.882 1.00 0.00 N ATOM 1296 NH2 ARG A 84 16.067 0.487 -3.811 1.00 0.00 N ATOM 1297 OXT ARG A 84 15.490 7.064 2.542 1.00 0.00 O ATOM 0 H ARG A 84 16.052 6.280 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 84 13.405 5.630 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.108 4.286 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.528 3.572 1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.014 3.732 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.516 4.584 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.845 2.632 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.427 1.793 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 84 14.779 2.315 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.410 0.871 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.828 -0.265 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.315 0.864 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.652 -0.269 -4.167 1.00 0.00 H new TER 1311 ARG A 84