USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 8 GLN : amide:sc= -10.3! C(o=-10!,f=-7.9!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 SER OG : rot -84:sc= 0.884 USER MOD Set 2.2: A 17 GLN : amide:sc= 1.13 K(o=2,f=1.3) USER MOD Set 3.1: A 1 SER N :NH3+ -173:sc= 0.0227 (180deg=0) USER MOD Set 3.2: A 44 SER OG : rot -36:sc= 1.18 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -7:sc= 1.11 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00435 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.17! X(o=-2.2!,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0708) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.8 USER MOD Single : A 43 CYS SG : rot 111:sc= -3.66! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 21:sc= -2.54! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= 0.0351 (180deg=0.00288) USER MOD Single : A 50 MET CE :methyl -154:sc= -9.26! (180deg=-11.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 37:sc= 0.0563 USER MOD Single : A 64 THR OG1 : rot 140:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 71 SER OG : rot 180:sc= -0.342 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -112:sc= 1.12 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.268 (180deg=-0.268) USER MOD Single : A 78 TYR OH : rot -128:sc= -0.277 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 39:sc= 0.724 USER MOD Single : A 83 SER OG : rot 180:sc= 0.113 USER MOD Single : A 86 THR OG1 : rot 31:sc= 0.0943 USER MOD Single : A 91 ASN : amide:sc= -1.13 K(o=-1.1,f=-8.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -2.29 K(o=-2.3,f=-8.9!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -176:sc= -3.62! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.783 9.685 -2.982 1.00 0.00 N ATOM 2 CA SER A 1 6.645 10.378 -2.323 1.00 0.00 C ATOM 3 C SER A 1 5.394 9.510 -2.322 1.00 0.00 C ATOM 4 O SER A 1 4.705 9.399 -3.337 1.00 0.00 O ATOM 5 CB SER A 1 6.369 11.685 -3.071 1.00 0.00 C ATOM 6 OG SER A 1 6.867 12.800 -2.352 1.00 0.00 O ATOM 0 H1 SER A 1 8.649 10.249 -2.863 1.00 0.00 H new ATOM 0 H2 SER A 1 7.917 8.749 -2.549 1.00 0.00 H new ATOM 0 H3 SER A 1 7.580 9.572 -3.996 1.00 0.00 H new ATOM 0 HA SER A 1 6.908 10.581 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.832 11.648 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.296 11.799 -3.227 1.00 0.00 H new ATOM 0 HG SER A 1 6.680 13.622 -2.852 1.00 0.00 H new ATOM 11 N VAL A 2 5.090 8.908 -1.176 1.00 0.00 N ATOM 12 CA VAL A 2 3.905 8.071 -1.057 1.00 0.00 C ATOM 13 C VAL A 2 2.656 8.897 -1.353 1.00 0.00 C ATOM 14 O VAL A 2 2.536 10.037 -0.906 1.00 0.00 O ATOM 15 CB VAL A 2 3.805 7.424 0.340 1.00 0.00 C ATOM 16 CG1 VAL A 2 2.676 6.408 0.368 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.125 6.766 0.713 1.00 0.00 C ATOM 0 H VAL A 2 5.645 8.984 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 2 3.985 7.265 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 2 3.589 8.202 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.616 5.958 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.734 6.905 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.867 5.631 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.040 6.314 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.367 5.996 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.915 7.517 0.725 1.00 0.00 H new ATOM 27 N LYS A 3 1.745 8.330 -2.137 1.00 0.00 N ATOM 28 CA LYS A 3 0.526 9.033 -2.524 1.00 0.00 C ATOM 29 C LYS A 3 -0.651 8.638 -1.655 1.00 0.00 C ATOM 30 O LYS A 3 -0.830 7.475 -1.326 1.00 0.00 O ATOM 31 CB LYS A 3 0.196 8.745 -3.988 1.00 0.00 C ATOM 32 CG LYS A 3 0.077 10.005 -4.813 1.00 0.00 C ATOM 33 CD LYS A 3 -0.864 9.833 -5.997 1.00 0.00 C ATOM 34 CE LYS A 3 -1.113 11.156 -6.703 1.00 0.00 C ATOM 35 NZ LYS A 3 0.083 11.617 -7.462 1.00 0.00 N ATOM 0 H LYS A 3 1.827 7.387 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 3 0.706 10.099 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.972 8.108 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.740 8.189 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.282 10.818 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.064 10.294 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.439 9.117 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.812 9.418 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.957 11.050 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.390 11.912 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.129 12.522 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.882 11.743 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.333 10.908 -8.180 1.00 0.00 H new ATOM 49 N ILE A 4 -1.458 9.626 -1.300 1.00 0.00 N ATOM 50 CA ILE A 4 -2.639 9.394 -0.481 1.00 0.00 C ATOM 51 C ILE A 4 -3.897 9.655 -1.296 1.00 0.00 C ATOM 52 O ILE A 4 -4.163 10.790 -1.694 1.00 0.00 O ATOM 53 CB ILE A 4 -2.647 10.289 0.773 1.00 0.00 C ATOM 54 CG1 ILE A 4 -1.318 10.166 1.522 1.00 0.00 C ATOM 55 CG2 ILE A 4 -3.811 9.918 1.681 1.00 0.00 C ATOM 56 CD1 ILE A 4 -1.258 10.988 2.792 1.00 0.00 C ATOM 0 H ILE A 4 -1.316 10.600 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.615 8.354 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.772 11.326 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.146 9.118 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.508 10.475 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.803 10.559 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.749 10.052 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.715 8.877 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.287 10.851 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.398 12.042 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.045 10.664 3.473 1.00 0.00 H new ATOM 68 N VAL A 5 -4.663 8.602 -1.561 1.00 0.00 N ATOM 69 CA VAL A 5 -5.880 8.736 -2.350 1.00 0.00 C ATOM 70 C VAL A 5 -7.115 8.703 -1.447 1.00 0.00 C ATOM 71 O VAL A 5 -7.329 7.746 -0.703 1.00 0.00 O ATOM 72 CB VAL A 5 -5.941 7.634 -3.430 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.620 6.277 -2.829 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.291 7.601 -4.122 1.00 0.00 C ATOM 0 H VAL A 5 -4.464 7.653 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.867 9.702 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.189 7.872 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.668 5.514 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.618 6.296 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.343 6.045 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.295 6.813 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.072 7.405 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.478 8.562 -4.602 1.00 0.00 H new ATOM 84 N THR A 6 -7.901 9.781 -1.493 1.00 0.00 N ATOM 85 CA THR A 6 -9.091 9.908 -0.652 1.00 0.00 C ATOM 86 C THR A 6 -10.383 9.515 -1.365 1.00 0.00 C ATOM 87 O THR A 6 -11.473 9.761 -0.846 1.00 0.00 O ATOM 88 CB THR A 6 -9.241 11.347 -0.124 1.00 0.00 C ATOM 89 OG1 THR A 6 -10.425 11.455 0.676 1.00 0.00 O ATOM 90 CG2 THR A 6 -9.308 12.340 -1.273 1.00 0.00 C ATOM 0 H THR A 6 -7.733 10.579 -2.105 1.00 0.00 H new ATOM 0 HA THR A 6 -8.938 9.212 0.173 1.00 0.00 H new ATOM 0 HB THR A 6 -8.368 11.579 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.933 10.619 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.414 13.349 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.394 12.276 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.165 12.107 -1.906 1.00 0.00 H new ATOM 98 N SER A 7 -10.279 8.900 -2.536 1.00 0.00 N ATOM 99 CA SER A 7 -11.474 8.484 -3.267 1.00 0.00 C ATOM 100 C SER A 7 -11.495 6.971 -3.456 1.00 0.00 C ATOM 101 O SER A 7 -10.448 6.324 -3.490 1.00 0.00 O ATOM 102 CB SER A 7 -11.545 9.183 -4.626 1.00 0.00 C ATOM 103 OG SER A 7 -12.887 9.308 -5.065 1.00 0.00 O ATOM 0 H SER A 7 -9.396 8.680 -2.996 1.00 0.00 H new ATOM 0 HA SER A 7 -12.345 8.772 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.089 10.170 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.970 8.618 -5.360 1.00 0.00 H new ATOM 0 HG SER A 7 -12.906 9.759 -5.935 1.00 0.00 H new ATOM 109 N GLN A 8 -12.696 6.411 -3.568 1.00 0.00 N ATOM 110 CA GLN A 8 -12.856 4.975 -3.743 1.00 0.00 C ATOM 111 C GLN A 8 -12.440 4.527 -5.144 1.00 0.00 C ATOM 112 O GLN A 8 -11.661 3.587 -5.299 1.00 0.00 O ATOM 113 CB GLN A 8 -14.316 4.597 -3.459 1.00 0.00 C ATOM 114 CG GLN A 8 -14.802 3.361 -4.192 1.00 0.00 C ATOM 115 CD GLN A 8 -13.827 2.199 -4.118 1.00 0.00 C ATOM 116 OE1 GLN A 8 -13.828 1.322 -4.981 1.00 0.00 O ATOM 117 NE2 GLN A 8 -12.987 2.185 -3.087 1.00 0.00 N ATOM 0 H GLN A 8 -13.572 6.932 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.201 4.460 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.435 4.438 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.955 5.438 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.759 3.051 -3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.979 3.613 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.019 2.932 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.311 1.427 -2.990 1.00 0.00 H new ATOM 126 N SER A 9 -12.961 5.205 -6.156 1.00 0.00 N ATOM 127 CA SER A 9 -12.642 4.879 -7.540 1.00 0.00 C ATOM 128 C SER A 9 -11.196 5.232 -7.844 1.00 0.00 C ATOM 129 O SER A 9 -10.516 4.517 -8.577 1.00 0.00 O ATOM 130 CB SER A 9 -13.578 5.622 -8.495 1.00 0.00 C ATOM 131 OG SER A 9 -13.638 7.002 -8.179 1.00 0.00 O ATOM 0 H SER A 9 -13.608 5.986 -6.045 1.00 0.00 H new ATOM 0 HA SER A 9 -12.780 3.807 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.232 5.495 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.577 5.189 -8.440 1.00 0.00 H new ATOM 0 HG SER A 9 -14.241 7.455 -8.805 1.00 0.00 H new ATOM 137 N GLU A 10 -10.723 6.330 -7.263 1.00 0.00 N ATOM 138 CA GLU A 10 -9.346 6.755 -7.465 1.00 0.00 C ATOM 139 C GLU A 10 -8.400 5.688 -6.930 1.00 0.00 C ATOM 140 O GLU A 10 -7.352 5.419 -7.517 1.00 0.00 O ATOM 141 CB GLU A 10 -9.088 8.094 -6.773 1.00 0.00 C ATOM 142 CG GLU A 10 -7.748 8.714 -7.130 1.00 0.00 C ATOM 143 CD GLU A 10 -7.790 9.474 -8.442 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.123 8.856 -9.475 1.00 0.00 O ATOM 145 OE2 GLU A 10 -7.491 10.686 -8.436 1.00 0.00 O ATOM 0 H GLU A 10 -11.270 6.937 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.169 6.887 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.883 8.790 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.137 7.951 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.440 9.390 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.994 7.930 -7.192 1.00 0.00 H new ATOM 152 N PHE A 11 -8.796 5.063 -5.823 1.00 0.00 N ATOM 153 CA PHE A 11 -8.004 4.001 -5.219 1.00 0.00 C ATOM 154 C PHE A 11 -7.947 2.822 -6.167 1.00 0.00 C ATOM 155 O PHE A 11 -6.875 2.318 -6.488 1.00 0.00 O ATOM 156 CB PHE A 11 -8.648 3.577 -3.892 1.00 0.00 C ATOM 157 CG PHE A 11 -8.326 2.176 -3.463 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.037 1.818 -3.116 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.325 1.222 -3.397 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.752 0.531 -2.707 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.048 -0.065 -2.995 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.761 -0.412 -2.648 1.00 0.00 C ATOM 0 H PHE A 11 -9.662 5.276 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.992 4.357 -5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.327 4.266 -3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.730 3.677 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.246 2.552 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.336 1.490 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.743 0.261 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.838 -0.801 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.540 -1.420 -2.330 1.00 0.00 H new ATOM 172 N ASP A 12 -9.117 2.412 -6.625 1.00 0.00 N ATOM 173 CA ASP A 12 -9.235 1.304 -7.563 1.00 0.00 C ATOM 174 C ASP A 12 -8.609 1.668 -8.903 1.00 0.00 C ATOM 175 O ASP A 12 -8.095 0.809 -9.619 1.00 0.00 O ATOM 176 CB ASP A 12 -10.704 0.966 -7.778 1.00 0.00 C ATOM 177 CG ASP A 12 -11.347 0.351 -6.551 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.433 1.044 -5.516 1.00 0.00 O ATOM 179 OD2 ASP A 12 -11.766 -0.823 -6.625 1.00 0.00 O ATOM 0 H ASP A 12 -10.008 2.833 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.712 0.443 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.245 1.872 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.795 0.275 -8.616 1.00 0.00 H new ATOM 184 N SER A 13 -8.671 2.951 -9.235 1.00 0.00 N ATOM 185 CA SER A 13 -8.130 3.449 -10.491 1.00 0.00 C ATOM 186 C SER A 13 -6.627 3.277 -10.537 1.00 0.00 C ATOM 187 O SER A 13 -6.073 2.818 -11.536 1.00 0.00 O ATOM 188 CB SER A 13 -8.486 4.924 -10.672 1.00 0.00 C ATOM 189 OG SER A 13 -8.165 5.372 -11.977 1.00 0.00 O ATOM 0 H SER A 13 -9.094 3.669 -8.647 1.00 0.00 H new ATOM 0 HA SER A 13 -8.571 2.870 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.550 5.069 -10.486 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.949 5.523 -9.937 1.00 0.00 H new ATOM 0 HG SER A 13 -7.218 5.623 -12.013 1.00 0.00 H new ATOM 195 N ILE A 14 -5.968 3.640 -9.449 1.00 0.00 N ATOM 196 CA ILE A 14 -4.524 3.513 -9.370 1.00 0.00 C ATOM 197 C ILE A 14 -4.110 2.063 -9.570 1.00 0.00 C ATOM 198 O ILE A 14 -3.083 1.768 -10.180 1.00 0.00 O ATOM 199 CB ILE A 14 -4.011 4.004 -8.004 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.253 5.507 -7.858 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.533 3.682 -7.831 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.855 5.891 -6.527 1.00 0.00 C ATOM 0 H ILE A 14 -6.408 4.023 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.087 4.127 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.563 3.483 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.307 6.034 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.915 5.840 -8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.194 4.039 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.386 2.604 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.959 4.173 -8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.000 6.971 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.816 5.392 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.184 5.588 -5.723 1.00 0.00 H new ATOM 214 N ILE A 15 -4.919 1.174 -9.027 1.00 0.00 N ATOM 215 CA ILE A 15 -4.661 -0.262 -9.102 1.00 0.00 C ATOM 216 C ILE A 15 -4.668 -0.783 -10.547 1.00 0.00 C ATOM 217 O ILE A 15 -3.854 -1.628 -10.917 1.00 0.00 O ATOM 218 CB ILE A 15 -5.710 -1.052 -8.281 1.00 0.00 C ATOM 219 CG1 ILE A 15 -5.960 -0.367 -6.955 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.237 -2.470 -8.011 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.718 -0.274 -6.116 1.00 0.00 C ATOM 0 H ILE A 15 -5.771 1.419 -8.523 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.666 -0.417 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.629 -1.085 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.350 0.635 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.726 -0.914 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.993 -3.002 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.075 -2.986 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.304 -2.441 -7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.951 0.225 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.341 -1.276 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.959 0.296 -6.651 1.00 0.00 H new ATOM 233 N SER A 16 -5.625 -0.301 -11.340 1.00 0.00 N ATOM 234 CA SER A 16 -5.798 -0.742 -12.736 1.00 0.00 C ATOM 235 C SER A 16 -4.947 0.016 -13.769 1.00 0.00 C ATOM 236 O SER A 16 -4.699 -0.497 -14.861 1.00 0.00 O ATOM 237 CB SER A 16 -7.275 -0.631 -13.122 1.00 0.00 C ATOM 238 OG SER A 16 -7.879 -1.910 -13.204 1.00 0.00 O ATOM 0 H SER A 16 -6.301 0.402 -11.041 1.00 0.00 H new ATOM 0 HA SER A 16 -5.447 -1.773 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.802 -0.023 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.366 -0.120 -14.081 1.00 0.00 H new ATOM 0 HG SER A 16 -8.822 -1.811 -13.450 1.00 0.00 H new ATOM 244 N GLN A 17 -4.553 1.243 -13.459 1.00 0.00 N ATOM 245 CA GLN A 17 -3.791 2.075 -14.408 1.00 0.00 C ATOM 246 C GLN A 17 -2.287 1.807 -14.378 1.00 0.00 C ATOM 247 O GLN A 17 -1.501 2.591 -14.911 1.00 0.00 O ATOM 248 CB GLN A 17 -4.048 3.558 -14.139 1.00 0.00 C ATOM 249 CG GLN A 17 -5.226 4.116 -14.919 1.00 0.00 C ATOM 250 CD GLN A 17 -6.292 4.714 -14.025 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.003 5.544 -13.163 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.536 4.295 -14.229 1.00 0.00 N ATOM 0 H GLN A 17 -4.743 1.692 -12.563 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.146 1.802 -15.402 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.227 3.701 -13.073 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.153 4.126 -14.391 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.869 4.879 -15.611 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.667 3.321 -15.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.729 3.605 -14.955 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.298 4.663 -13.659 1.00 0.00 H new ATOM 261 N ASN A 18 -1.888 0.717 -13.750 1.00 0.00 N ATOM 262 CA ASN A 18 -0.477 0.370 -13.647 1.00 0.00 C ATOM 263 C ASN A 18 -0.284 -1.145 -13.561 1.00 0.00 C ATOM 264 O ASN A 18 -1.156 -1.865 -13.076 1.00 0.00 O ATOM 265 CB ASN A 18 0.123 1.060 -12.422 1.00 0.00 C ATOM 266 CG ASN A 18 -0.089 2.561 -12.447 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.792 3.318 -12.855 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.263 2.999 -12.007 1.00 0.00 N ATOM 0 H ASN A 18 -2.520 0.053 -13.302 1.00 0.00 H new ATOM 0 HA ASN A 18 0.037 0.713 -14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.326 0.647 -11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.191 0.847 -12.374 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.464 3.999 -11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.964 2.335 -11.678 1.00 0.00 H new ATOM 275 N GLU A 19 0.865 -1.620 -14.040 1.00 0.00 N ATOM 276 CA GLU A 19 1.176 -3.049 -14.022 1.00 0.00 C ATOM 277 C GLU A 19 1.372 -3.547 -12.603 1.00 0.00 C ATOM 278 O GLU A 19 0.825 -4.583 -12.227 1.00 0.00 O ATOM 279 CB GLU A 19 2.424 -3.335 -14.859 1.00 0.00 C ATOM 280 CG GLU A 19 2.538 -4.782 -15.309 1.00 0.00 C ATOM 281 CD GLU A 19 3.183 -4.919 -16.675 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.802 -3.939 -17.140 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.068 -6.006 -17.279 1.00 0.00 O ATOM 0 H GLU A 19 1.596 -1.036 -14.446 1.00 0.00 H new ATOM 0 HA GLU A 19 0.330 -3.582 -14.456 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.417 -2.690 -15.738 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.308 -3.073 -14.278 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.122 -5.341 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.545 -5.230 -15.334 1.00 0.00 H new ATOM 290 N LEU A 20 2.129 -2.807 -11.804 1.00 0.00 N ATOM 291 CA LEU A 20 2.346 -3.198 -10.430 1.00 0.00 C ATOM 292 C LEU A 20 2.003 -2.032 -9.537 1.00 0.00 C ATOM 293 O LEU A 20 2.466 -0.913 -9.760 1.00 0.00 O ATOM 294 CB LEU A 20 3.803 -3.616 -10.224 1.00 0.00 C ATOM 295 CG LEU A 20 4.067 -4.716 -9.184 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.917 -5.713 -9.107 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.366 -5.438 -9.512 1.00 0.00 C ATOM 0 H LEU A 20 2.595 -1.944 -12.085 1.00 0.00 H new ATOM 0 HA LEU A 20 1.711 -4.049 -10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.199 -3.952 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.373 -2.732 -9.936 1.00 0.00 H new ATOM 0 HG LEU A 20 4.151 -4.238 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.144 -6.474 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.002 -5.192 -8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.781 -6.188 -10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.547 -6.216 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.292 -5.889 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.191 -4.726 -9.499 1.00 0.00 H new ATOM 309 N VAL A 21 1.185 -2.282 -8.532 1.00 0.00 N ATOM 310 CA VAL A 21 0.795 -1.215 -7.633 1.00 0.00 C ATOM 311 C VAL A 21 0.844 -1.656 -6.190 1.00 0.00 C ATOM 312 O VAL A 21 0.186 -2.620 -5.800 1.00 0.00 O ATOM 313 CB VAL A 21 -0.622 -0.671 -7.944 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.941 0.531 -7.066 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.737 -0.313 -9.415 1.00 0.00 C ATOM 0 H VAL A 21 0.785 -3.196 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 21 1.518 -0.415 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.350 -1.451 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.940 0.898 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.899 0.237 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.212 1.320 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.738 0.068 -9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.000 0.451 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.556 -1.201 -10.021 1.00 0.00 H new ATOM 325 N ILE A 22 1.594 -0.920 -5.386 1.00 0.00 N ATOM 326 CA ILE A 22 1.676 -1.226 -3.977 1.00 0.00 C ATOM 327 C ILE A 22 1.004 -0.106 -3.213 1.00 0.00 C ATOM 328 O ILE A 22 1.332 1.070 -3.372 1.00 0.00 O ATOM 329 CB ILE A 22 3.134 -1.407 -3.501 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.215 -1.439 -1.969 1.00 0.00 C ATOM 331 CG2 ILE A 22 4.022 -0.309 -4.065 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.890 -2.680 -1.425 1.00 0.00 C ATOM 0 H ILE A 22 2.147 -0.117 -5.685 1.00 0.00 H new ATOM 0 HA ILE A 22 1.172 -2.175 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 22 3.494 -2.366 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.758 -0.559 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.207 -1.374 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.045 -0.454 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.999 -0.346 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.659 0.662 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.912 -2.635 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.335 -3.564 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.910 -2.736 -1.806 1.00 0.00 H new ATOM 344 N VAL A 23 0.046 -0.494 -2.401 1.00 0.00 N ATOM 345 CA VAL A 23 -0.718 0.442 -1.612 1.00 0.00 C ATOM 346 C VAL A 23 -0.800 -0.043 -0.191 1.00 0.00 C ATOM 347 O VAL A 23 -0.979 -1.235 0.063 1.00 0.00 O ATOM 348 CB VAL A 23 -2.141 0.628 -2.174 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.865 -0.707 -2.247 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.927 1.626 -1.334 1.00 0.00 C ATOM 0 H VAL A 23 -0.224 -1.469 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.210 1.406 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.061 1.028 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.868 -0.556 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.314 -1.385 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.933 -1.139 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.928 1.742 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.999 1.262 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.417 2.589 -1.342 1.00 0.00 H new ATOM 360 N ASP A 24 -0.660 0.875 0.734 1.00 0.00 N ATOM 361 CA ASP A 24 -0.711 0.521 2.131 1.00 0.00 C ATOM 362 C ASP A 24 -1.996 1.005 2.774 1.00 0.00 C ATOM 363 O ASP A 24 -2.198 2.203 2.968 1.00 0.00 O ATOM 364 CB ASP A 24 0.512 1.080 2.875 1.00 0.00 C ATOM 365 CG ASP A 24 0.176 1.651 4.241 1.00 0.00 C ATOM 366 OD1 ASP A 24 -0.580 0.993 4.986 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.668 2.753 4.563 1.00 0.00 O ATOM 0 H ASP A 24 -0.511 1.866 0.547 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.692 -0.567 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.251 0.287 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.974 1.858 2.267 1.00 0.00 H new ATOM 372 N PHE A 25 -2.827 0.057 3.169 1.00 0.00 N ATOM 373 CA PHE A 25 -4.047 0.379 3.869 1.00 0.00 C ATOM 374 C PHE A 25 -3.615 0.515 5.317 1.00 0.00 C ATOM 375 O PHE A 25 -3.098 -0.436 5.903 1.00 0.00 O ATOM 376 CB PHE A 25 -5.076 -0.734 3.646 1.00 0.00 C ATOM 377 CG PHE A 25 -5.245 -1.075 2.182 1.00 0.00 C ATOM 378 CD1 PHE A 25 -4.341 -1.910 1.535 1.00 0.00 C ATOM 379 CD2 PHE A 25 -6.292 -0.543 1.446 1.00 0.00 C ATOM 380 CE1 PHE A 25 -4.482 -2.208 0.187 1.00 0.00 C ATOM 381 CE2 PHE A 25 -6.437 -0.833 0.099 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.531 -1.668 -0.537 1.00 0.00 C ATOM 0 H PHE A 25 -2.675 -0.940 3.015 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.534 1.292 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.767 -1.626 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.037 -0.425 4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.517 -2.333 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.006 0.107 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.772 -2.862 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.259 -0.407 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.643 -1.895 -1.587 1.00 0.00 H new ATOM 392 N PHE A 26 -3.706 1.731 5.854 1.00 0.00 N ATOM 393 CA PHE A 26 -3.188 1.992 7.185 1.00 0.00 C ATOM 394 C PHE A 26 -4.208 2.907 8.037 1.00 0.00 C ATOM 395 O PHE A 26 -5.229 3.286 7.461 1.00 0.00 O ATOM 396 CB PHE A 26 -1.851 2.746 7.091 1.00 0.00 C ATOM 397 CG PHE A 26 -2.026 4.147 6.551 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.515 4.346 5.265 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.737 5.263 7.329 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.711 5.620 4.765 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.934 6.539 6.832 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.421 6.718 5.551 1.00 0.00 C ATOM 0 H PHE A 26 -4.128 2.536 5.392 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.057 1.029 7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.391 2.793 8.078 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.167 2.192 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.746 3.491 4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.355 5.132 8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.090 5.756 3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.707 7.397 7.447 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.575 7.715 5.165 1.00 0.00 H new ATOM 412 N ALA A 27 -3.970 3.346 9.374 1.00 0.00 N ATOM 413 CA ALA A 27 -4.909 4.213 10.062 1.00 0.00 C ATOM 414 C ALA A 27 -4.068 5.189 10.956 1.00 0.00 C ATOM 415 O ALA A 27 -3.058 4.798 11.536 1.00 0.00 O ATOM 416 CB ALA A 27 -5.967 3.336 10.809 1.00 0.00 C ATOM 0 H ALA A 27 -3.149 3.090 9.923 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.500 4.838 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.675 3.983 11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.501 2.718 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.463 2.696 11.533 1.00 0.00 H new ATOM 422 N GLU A 28 -4.448 6.471 10.943 1.00 0.00 N ATOM 423 CA GLU A 28 -3.732 7.632 11.637 1.00 0.00 C ATOM 424 C GLU A 28 -3.368 7.623 13.271 1.00 0.00 C ATOM 425 O GLU A 28 -2.845 8.652 13.696 1.00 0.00 O ATOM 426 CB GLU A 28 -4.701 8.805 11.521 1.00 0.00 C ATOM 427 CG GLU A 28 -4.013 10.128 11.753 1.00 0.00 C ATOM 428 CD GLU A 28 -4.847 11.089 12.577 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.064 10.845 12.724 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.285 12.086 13.077 1.00 0.00 O ATOM 0 H GLU A 28 -5.284 6.776 10.444 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.759 7.627 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.158 8.802 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.507 8.683 12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.063 9.954 12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.784 10.586 10.791 1.00 0.00 H new ATOM 437 N TRP A 29 -3.693 6.615 14.244 1.00 0.00 N ATOM 438 CA TRP A 29 -3.443 6.785 15.745 1.00 0.00 C ATOM 439 C TRP A 29 -2.352 5.708 16.203 1.00 0.00 C ATOM 440 O TRP A 29 -2.143 5.601 17.412 1.00 0.00 O ATOM 441 CB TRP A 29 -4.953 6.626 16.416 1.00 0.00 C ATOM 442 CG TRP A 29 -5.997 5.539 15.853 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.230 5.617 15.010 1.00 0.00 C ATOM 444 CD2 TRP A 29 -5.970 4.148 16.254 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.693 4.342 14.779 1.00 0.00 N ATOM 446 CE2 TRP A 29 -6.972 3.449 15.521 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.141 3.403 17.115 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.142 2.070 15.622 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.338 2.038 17.221 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.317 1.384 16.466 1.00 0.00 C ATOM 0 H TRP A 29 -4.112 5.718 13.998 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.019 7.739 16.059 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.811 6.414 17.476 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.437 7.600 16.348 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.683 6.526 14.643 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.458 4.100 14.149 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.363 3.890 17.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.903 1.559 15.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.724 1.466 17.900 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.423 0.313 16.553 1.00 0.00 H new ATOM 461 N CYS A 30 -1.650 4.844 15.289 1.00 0.00 N ATOM 462 CA CYS A 30 -0.708 3.860 15.798 1.00 0.00 C ATOM 463 C CYS A 30 0.735 4.289 15.551 1.00 0.00 C ATOM 464 O CYS A 30 1.026 5.008 14.593 1.00 0.00 O ATOM 465 CB CYS A 30 -0.970 2.503 15.109 1.00 0.00 C ATOM 466 SG CYS A 30 -1.932 2.608 13.549 1.00 0.00 S ATOM 0 H CYS A 30 -1.757 4.859 14.275 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.852 3.771 16.875 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.012 2.027 14.898 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.502 1.854 15.805 1.00 0.00 H new ATOM 471 N GLY A 31 1.637 3.828 16.413 1.00 0.00 N ATOM 472 CA GLY A 31 3.043 4.154 16.262 1.00 0.00 C ATOM 473 C GLY A 31 3.664 3.516 15.028 1.00 0.00 C ATOM 474 O GLY A 31 4.327 4.201 14.250 1.00 0.00 O ATOM 0 H GLY A 31 1.419 3.234 17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.157 5.236 16.203 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.585 3.825 17.148 1.00 0.00 H new ATOM 478 N PRO A 32 3.458 2.200 14.808 1.00 0.00 N ATOM 479 CA PRO A 32 4.007 1.486 13.641 1.00 0.00 C ATOM 480 C PRO A 32 3.495 2.033 12.330 1.00 0.00 C ATOM 481 O PRO A 32 4.265 2.257 11.396 1.00 0.00 O ATOM 482 CB PRO A 32 3.502 0.057 13.812 1.00 0.00 C ATOM 483 CG PRO A 32 2.323 0.190 14.720 1.00 0.00 C ATOM 484 CD PRO A 32 2.675 1.296 15.665 1.00 0.00 C ATOM 0 HA PRO A 32 5.092 1.580 13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.220 -0.383 12.855 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.268 -0.587 14.245 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.419 0.425 14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.133 -0.740 15.256 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.788 1.784 16.069 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.255 0.936 16.515 1.00 0.00 H new ATOM 492 N CYS A 33 2.186 2.237 12.256 1.00 0.00 N ATOM 493 CA CYS A 33 1.584 2.740 11.036 1.00 0.00 C ATOM 494 C CYS A 33 2.347 3.971 10.533 1.00 0.00 C ATOM 495 O CYS A 33 2.790 4.009 9.385 1.00 0.00 O ATOM 496 CB CYS A 33 0.110 3.060 11.304 1.00 0.00 C ATOM 497 SG CYS A 33 -0.781 1.699 12.141 1.00 0.00 S ATOM 0 H CYS A 33 1.531 2.063 13.018 1.00 0.00 H new ATOM 0 HA CYS A 33 1.640 1.983 10.253 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.045 3.959 11.917 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.385 3.282 10.359 1.00 0.00 H new ATOM 502 N LYS A 34 2.523 4.955 11.405 1.00 0.00 N ATOM 503 CA LYS A 34 3.269 6.166 11.064 1.00 0.00 C ATOM 504 C LYS A 34 4.767 5.888 10.866 1.00 0.00 C ATOM 505 O LYS A 34 5.427 6.534 10.054 1.00 0.00 O ATOM 506 CB LYS A 34 3.074 7.230 12.146 1.00 0.00 C ATOM 507 CG LYS A 34 2.779 8.614 11.591 1.00 0.00 C ATOM 508 CD LYS A 34 3.326 9.706 12.497 1.00 0.00 C ATOM 509 CE LYS A 34 2.684 9.658 13.874 1.00 0.00 C ATOM 510 NZ LYS A 34 1.240 10.018 13.827 1.00 0.00 N ATOM 0 H LYS A 34 2.159 4.941 12.358 1.00 0.00 H new ATOM 0 HA LYS A 34 2.875 6.532 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.255 6.927 12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.972 7.278 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.218 8.710 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.702 8.740 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.406 9.594 12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.146 10.681 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.795 8.657 14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.207 10.342 14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.877 10.122 14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.122 10.915 13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.711 9.268 13.338 1.00 0.00 H new ATOM 524 N ARG A 35 5.296 4.950 11.653 1.00 0.00 N ATOM 525 CA ARG A 35 6.723 4.602 11.624 1.00 0.00 C ATOM 526 C ARG A 35 7.121 3.822 10.374 1.00 0.00 C ATOM 527 O ARG A 35 8.282 3.846 9.967 1.00 0.00 O ATOM 528 CB ARG A 35 7.114 3.826 12.892 1.00 0.00 C ATOM 529 CG ARG A 35 7.160 2.312 12.727 1.00 0.00 C ATOM 530 CD ARG A 35 8.543 1.830 12.317 1.00 0.00 C ATOM 531 NE ARG A 35 9.564 2.201 13.295 1.00 0.00 N ATOM 532 CZ ARG A 35 10.825 1.776 13.247 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.224 0.969 12.272 1.00 0.00 N ATOM 534 NH2 ARG A 35 11.689 2.161 14.176 1.00 0.00 N ATOM 0 H ARG A 35 4.753 4.410 12.327 1.00 0.00 H new ATOM 0 HA ARG A 35 7.274 5.542 11.593 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.093 4.171 13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.405 4.070 13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.872 1.835 13.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.431 2.006 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.529 0.746 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.801 2.252 11.346 1.00 0.00 H new ATOM 0 HE ARG A 35 9.295 2.821 14.059 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.563 0.671 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.191 0.647 12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.388 2.782 14.927 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.655 1.836 14.140 1.00 0.00 H new ATOM 548 N ILE A 36 6.172 3.117 9.781 1.00 0.00 N ATOM 549 CA ILE A 36 6.453 2.327 8.601 1.00 0.00 C ATOM 550 C ILE A 36 6.424 3.191 7.340 1.00 0.00 C ATOM 551 O ILE A 36 6.934 2.791 6.295 1.00 0.00 O ATOM 552 CB ILE A 36 5.459 1.158 8.442 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.869 0.270 7.263 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.040 1.671 8.259 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.307 -0.191 7.318 1.00 0.00 C ATOM 0 H ILE A 36 5.204 3.078 10.099 1.00 0.00 H new ATOM 0 HA ILE A 36 7.454 1.915 8.733 1.00 0.00 H new ATOM 0 HB ILE A 36 5.484 0.561 9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.218 -0.604 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.708 0.818 6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.359 0.827 8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.751 2.260 9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.991 2.295 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.523 -0.815 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.967 0.676 7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.470 -0.767 8.229 1.00 0.00 H new ATOM 567 N ALA A 37 5.826 4.380 7.447 1.00 0.00 N ATOM 568 CA ALA A 37 5.736 5.297 6.315 1.00 0.00 C ATOM 569 C ALA A 37 7.122 5.741 5.835 1.00 0.00 C ATOM 570 O ALA A 37 7.418 5.686 4.641 1.00 0.00 O ATOM 571 CB ALA A 37 4.893 6.508 6.687 1.00 0.00 C ATOM 0 H ALA A 37 5.399 4.727 8.306 1.00 0.00 H new ATOM 0 HA ALA A 37 5.257 4.765 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.833 7.185 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.890 6.182 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.351 7.025 7.530 1.00 0.00 H new ATOM 577 N PRO A 38 7.990 6.200 6.759 1.00 0.00 N ATOM 578 CA PRO A 38 9.341 6.665 6.415 1.00 0.00 C ATOM 579 C PRO A 38 10.115 5.642 5.591 1.00 0.00 C ATOM 580 O PRO A 38 10.719 5.990 4.576 1.00 0.00 O ATOM 581 CB PRO A 38 10.006 6.861 7.778 1.00 0.00 C ATOM 582 CG PRO A 38 8.880 7.123 8.716 1.00 0.00 C ATOM 583 CD PRO A 38 7.715 6.324 8.199 1.00 0.00 C ATOM 0 HA PRO A 38 9.317 7.566 5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.570 5.976 8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.708 7.695 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.140 6.822 9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.640 8.186 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.653 5.348 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.768 6.831 8.384 1.00 0.00 H new ATOM 591 N PHE A 39 10.081 4.377 6.005 1.00 0.00 N ATOM 592 CA PHE A 39 10.770 3.334 5.255 1.00 0.00 C ATOM 593 C PHE A 39 10.043 3.096 3.944 1.00 0.00 C ATOM 594 O PHE A 39 10.655 2.838 2.908 1.00 0.00 O ATOM 595 CB PHE A 39 10.855 2.035 6.041 1.00 0.00 C ATOM 596 CG PHE A 39 11.614 0.978 5.296 1.00 0.00 C ATOM 597 CD1 PHE A 39 12.998 0.962 5.311 1.00 0.00 C ATOM 598 CD2 PHE A 39 10.943 0.022 4.554 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.699 0.011 4.597 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.638 -0.933 3.845 1.00 0.00 C ATOM 601 CZ PHE A 39 13.016 -0.938 3.864 1.00 0.00 C ATOM 0 H PHE A 39 9.593 4.055 6.841 1.00 0.00 H new ATOM 0 HA PHE A 39 11.789 3.670 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.339 2.222 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.849 1.675 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.535 1.701 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.863 0.025 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.779 0.010 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.103 -1.678 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.561 -1.684 3.305 1.00 0.00 H new ATOM 611 N TYR A 40 8.726 3.222 4.002 1.00 0.00 N ATOM 612 CA TYR A 40 7.884 3.064 2.828 1.00 0.00 C ATOM 613 C TYR A 40 8.286 4.110 1.793 1.00 0.00 C ATOM 614 O TYR A 40 8.253 3.862 0.588 1.00 0.00 O ATOM 615 CB TYR A 40 6.414 3.245 3.219 1.00 0.00 C ATOM 616 CG TYR A 40 5.425 2.500 2.346 1.00 0.00 C ATOM 617 CD1 TYR A 40 5.768 1.314 1.704 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.136 2.986 2.177 1.00 0.00 C ATOM 619 CE1 TYR A 40 4.851 0.639 0.919 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.216 2.317 1.395 1.00 0.00 C ATOM 621 CZ TYR A 40 3.577 1.145 0.769 1.00 0.00 C ATOM 622 OH TYR A 40 2.662 0.475 -0.011 1.00 0.00 O ATOM 0 H TYR A 40 8.214 3.435 4.858 1.00 0.00 H new ATOM 0 HA TYR A 40 8.012 2.066 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.285 2.917 4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.174 4.308 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.765 0.915 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.847 3.905 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.131 -0.280 0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.218 2.711 1.275 1.00 0.00 H new ATOM 0 HH TYR A 40 1.812 0.964 -0.011 1.00 0.00 H new ATOM 632 N GLU A 41 8.674 5.284 2.290 1.00 0.00 N ATOM 633 CA GLU A 41 9.098 6.388 1.436 1.00 0.00 C ATOM 634 C GLU A 41 10.407 6.056 0.709 1.00 0.00 C ATOM 635 O GLU A 41 10.527 6.288 -0.492 1.00 0.00 O ATOM 636 CB GLU A 41 9.245 7.668 2.277 1.00 0.00 C ATOM 637 CG GLU A 41 10.502 8.480 1.991 1.00 0.00 C ATOM 638 CD GLU A 41 10.532 9.040 0.581 1.00 0.00 C ATOM 639 OE1 GLU A 41 9.665 8.654 -0.231 1.00 0.00 O ATOM 640 OE2 GLU A 41 11.423 9.866 0.291 1.00 0.00 O ATOM 0 H GLU A 41 8.703 5.494 3.288 1.00 0.00 H new ATOM 0 HA GLU A 41 8.336 6.552 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.374 8.301 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.238 7.395 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.569 9.301 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.379 7.851 2.146 1.00 0.00 H new ATOM 647 N GLU A 42 11.389 5.518 1.434 1.00 0.00 N ATOM 648 CA GLU A 42 12.672 5.175 0.820 1.00 0.00 C ATOM 649 C GLU A 42 12.472 4.123 -0.272 1.00 0.00 C ATOM 650 O GLU A 42 13.094 4.184 -1.332 1.00 0.00 O ATOM 651 CB GLU A 42 13.684 4.696 1.872 1.00 0.00 C ATOM 652 CG GLU A 42 13.401 3.318 2.451 1.00 0.00 C ATOM 653 CD GLU A 42 14.661 2.612 2.911 1.00 0.00 C ATOM 654 OE1 GLU A 42 15.155 2.936 4.011 1.00 0.00 O ATOM 655 OE2 GLU A 42 15.154 1.734 2.171 1.00 0.00 O ATOM 0 H GLU A 42 11.323 5.313 2.431 1.00 0.00 H new ATOM 0 HA GLU A 42 13.082 6.075 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.677 4.689 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.708 5.419 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.715 3.415 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.900 2.708 1.700 1.00 0.00 H new ATOM 662 N CYS A 43 11.580 3.174 -0.006 1.00 0.00 N ATOM 663 CA CYS A 43 11.255 2.115 -0.943 1.00 0.00 C ATOM 664 C CYS A 43 10.670 2.697 -2.229 1.00 0.00 C ATOM 665 O CYS A 43 10.885 2.173 -3.319 1.00 0.00 O ATOM 666 CB CYS A 43 10.267 1.163 -0.254 1.00 0.00 C ATOM 667 SG CYS A 43 11.014 0.198 1.072 1.00 0.00 S ATOM 0 H CYS A 43 11.062 3.122 0.871 1.00 0.00 H new ATOM 0 HA CYS A 43 12.153 1.566 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.437 1.742 0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.849 0.484 -0.997 1.00 0.00 H new ATOM 0 HG CYS A 43 10.546 0.598 2.217 1.00 0.00 H new ATOM 673 N SER A 44 9.925 3.782 -2.090 1.00 0.00 N ATOM 674 CA SER A 44 9.290 4.440 -3.228 1.00 0.00 C ATOM 675 C SER A 44 10.291 5.093 -4.195 1.00 0.00 C ATOM 676 O SER A 44 9.959 5.332 -5.356 1.00 0.00 O ATOM 677 CB SER A 44 8.315 5.500 -2.719 1.00 0.00 C ATOM 678 OG SER A 44 8.992 6.698 -2.384 1.00 0.00 O ATOM 0 H SER A 44 9.742 4.231 -1.193 1.00 0.00 H new ATOM 0 HA SER A 44 8.770 3.664 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.564 5.704 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.786 5.121 -1.845 1.00 0.00 H new ATOM 0 HG SER A 44 9.863 6.482 -1.990 1.00 0.00 H new ATOM 684 N LYS A 45 11.489 5.424 -3.717 1.00 0.00 N ATOM 685 CA LYS A 45 12.481 6.099 -4.571 1.00 0.00 C ATOM 686 C LYS A 45 13.482 5.150 -5.259 1.00 0.00 C ATOM 687 O LYS A 45 14.089 5.527 -6.262 1.00 0.00 O ATOM 688 CB LYS A 45 13.225 7.184 -3.774 1.00 0.00 C ATOM 689 CG LYS A 45 14.286 6.660 -2.818 1.00 0.00 C ATOM 690 CD LYS A 45 15.311 7.735 -2.482 1.00 0.00 C ATOM 691 CE LYS A 45 14.769 8.740 -1.478 1.00 0.00 C ATOM 692 NZ LYS A 45 15.307 8.505 -0.109 1.00 0.00 N ATOM 0 H LYS A 45 11.799 5.243 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 45 11.911 6.556 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.697 7.871 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.496 7.761 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.811 6.309 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.789 5.802 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.209 7.267 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.604 8.255 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.026 9.749 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.681 8.680 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.913 9.211 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.041 7.552 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.344 8.588 -0.124 1.00 0.00 H new ATOM 706 N THR A 46 13.650 3.930 -4.752 1.00 0.00 N ATOM 707 CA THR A 46 14.573 2.969 -5.365 1.00 0.00 C ATOM 708 C THR A 46 13.785 1.984 -6.220 1.00 0.00 C ATOM 709 O THR A 46 14.182 1.605 -7.322 1.00 0.00 O ATOM 710 CB THR A 46 15.378 2.208 -4.282 1.00 0.00 C ATOM 711 OG1 THR A 46 16.748 2.627 -4.309 1.00 0.00 O ATOM 712 CG2 THR A 46 15.309 0.695 -4.475 1.00 0.00 C ATOM 0 H THR A 46 13.165 3.583 -3.925 1.00 0.00 H new ATOM 0 HA THR A 46 15.280 3.513 -5.992 1.00 0.00 H new ATOM 0 HB THR A 46 14.931 2.445 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.252 2.144 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.887 0.202 -3.694 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.271 0.368 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.720 0.433 -5.450 1.00 0.00 H new ATOM 720 N TYR A 47 12.657 1.601 -5.661 1.00 0.00 N ATOM 721 CA TYR A 47 11.708 0.676 -6.251 1.00 0.00 C ATOM 722 C TYR A 47 10.774 1.379 -7.241 1.00 0.00 C ATOM 723 O TYR A 47 9.663 0.905 -7.480 1.00 0.00 O ATOM 724 CB TYR A 47 10.888 -0.035 -5.184 1.00 0.00 C ATOM 725 CG TYR A 47 11.708 -0.763 -4.144 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.617 -1.749 -4.497 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.536 -0.482 -2.803 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.337 -2.428 -3.531 1.00 0.00 C ATOM 729 CE2 TYR A 47 12.241 -1.154 -1.828 1.00 0.00 C ATOM 730 CZ TYR A 47 13.144 -2.128 -2.197 1.00 0.00 C ATOM 731 OH TYR A 47 13.852 -2.805 -1.234 1.00 0.00 O ATOM 0 H TYR A 47 12.362 1.939 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 47 12.291 -0.067 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.255 0.697 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.224 -0.750 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.765 -1.990 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.832 0.283 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.047 -3.189 -3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.088 -0.920 -0.785 1.00 0.00 H new ATOM 0 HH TYR A 47 14.654 -3.200 -1.635 1.00 0.00 H new ATOM 741 N THR A 48 11.159 2.567 -7.710 1.00 0.00 N ATOM 742 CA THR A 48 10.286 3.397 -8.547 1.00 0.00 C ATOM 743 C THR A 48 9.695 2.675 -9.765 1.00 0.00 C ATOM 744 O THR A 48 8.921 3.271 -10.514 1.00 0.00 O ATOM 745 CB THR A 48 11.045 4.639 -9.051 1.00 0.00 C ATOM 746 OG1 THR A 48 12.209 4.238 -9.784 1.00 0.00 O ATOM 747 CG2 THR A 48 11.455 5.532 -7.890 1.00 0.00 C ATOM 0 H THR A 48 12.073 2.979 -7.524 1.00 0.00 H new ATOM 0 HA THR A 48 9.455 3.669 -7.896 1.00 0.00 H new ATOM 0 HB THR A 48 10.380 5.203 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.685 5.033 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.989 6.402 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.566 5.860 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.104 4.975 -7.214 1.00 0.00 H new ATOM 755 N LYS A 49 9.968 1.381 -9.918 1.00 0.00 N ATOM 756 CA LYS A 49 9.350 0.610 -10.993 1.00 0.00 C ATOM 757 C LYS A 49 7.962 0.115 -10.526 1.00 0.00 C ATOM 758 O LYS A 49 7.301 -0.671 -11.205 1.00 0.00 O ATOM 759 CB LYS A 49 10.230 -0.577 -11.408 1.00 0.00 C ATOM 760 CG LYS A 49 10.982 -1.245 -10.265 1.00 0.00 C ATOM 761 CD LYS A 49 12.422 -0.759 -10.184 1.00 0.00 C ATOM 762 CE LYS A 49 13.284 -1.390 -11.266 1.00 0.00 C ATOM 763 NZ LYS A 49 14.092 -2.525 -10.741 1.00 0.00 N ATOM 0 H LYS A 49 10.603 0.851 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 49 9.238 1.253 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.603 -1.323 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.953 -0.234 -12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.474 -1.037 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.969 -2.326 -10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.447 0.326 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.834 -0.999 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.647 -1.742 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.949 -0.635 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.379 -3.140 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.939 -2.156 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.523 -3.072 -10.064 1.00 0.00 H new ATOM 777 N MET A 50 7.546 0.607 -9.349 1.00 0.00 N ATOM 778 CA MET A 50 6.264 0.282 -8.710 1.00 0.00 C ATOM 779 C MET A 50 5.588 1.575 -8.302 1.00 0.00 C ATOM 780 O MET A 50 6.251 2.565 -7.993 1.00 0.00 O ATOM 781 CB MET A 50 6.522 -0.568 -7.455 1.00 0.00 C ATOM 782 CG MET A 50 5.716 -1.849 -7.359 1.00 0.00 C ATOM 783 SD MET A 50 6.756 -3.318 -7.396 1.00 0.00 S ATOM 784 CE MET A 50 7.369 -3.234 -9.076 1.00 0.00 C ATOM 0 H MET A 50 8.108 1.259 -8.802 1.00 0.00 H new ATOM 0 HA MET A 50 5.631 -0.273 -9.402 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.581 -0.822 -7.421 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.311 0.040 -6.575 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.135 -1.841 -6.437 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.004 -1.890 -8.184 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.627 -4.236 -9.420 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.599 -2.816 -9.724 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.255 -2.600 -9.109 1.00 0.00 H new ATOM 794 N VAL A 51 4.276 1.562 -8.303 1.00 0.00 N ATOM 795 CA VAL A 51 3.514 2.734 -7.933 1.00 0.00 C ATOM 796 C VAL A 51 3.156 2.679 -6.448 1.00 0.00 C ATOM 797 O VAL A 51 2.647 1.669 -5.961 1.00 0.00 O ATOM 798 CB VAL A 51 2.251 2.842 -8.814 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.981 2.723 -8.003 1.00 0.00 C ATOM 800 CG2 VAL A 51 2.266 4.134 -9.594 1.00 0.00 C ATOM 0 H VAL A 51 3.712 0.751 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 51 4.118 3.626 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 51 2.265 2.005 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.118 2.805 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.961 1.757 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.947 3.521 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.370 4.197 -10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.290 4.976 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.149 4.163 -10.233 1.00 0.00 H new ATOM 810 N PHE A 52 3.462 3.750 -5.720 1.00 0.00 N ATOM 811 CA PHE A 52 3.200 3.782 -4.284 1.00 0.00 C ATOM 812 C PHE A 52 2.075 4.733 -3.901 1.00 0.00 C ATOM 813 O PHE A 52 2.181 5.947 -4.074 1.00 0.00 O ATOM 814 CB PHE A 52 4.465 4.175 -3.519 1.00 0.00 C ATOM 815 CG PHE A 52 5.498 3.095 -3.498 1.00 0.00 C ATOM 816 CD1 PHE A 52 6.118 2.733 -4.668 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.843 2.443 -2.325 1.00 0.00 C ATOM 818 CE1 PHE A 52 7.071 1.737 -4.690 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.797 1.441 -2.334 1.00 0.00 C ATOM 820 CZ PHE A 52 7.412 1.089 -3.521 1.00 0.00 C ATOM 0 H PHE A 52 3.887 4.598 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 52 2.887 2.774 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.893 5.070 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.197 4.433 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.855 3.237 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.364 2.719 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.549 1.465 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.060 0.935 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.158 0.308 -3.533 1.00 0.00 H new ATOM 830 N ILE A 53 1.018 4.168 -3.332 1.00 0.00 N ATOM 831 CA ILE A 53 -0.116 4.961 -2.862 1.00 0.00 C ATOM 832 C ILE A 53 -0.521 4.510 -1.456 1.00 0.00 C ATOM 833 O ILE A 53 -0.111 3.447 -0.994 1.00 0.00 O ATOM 834 CB ILE A 53 -1.333 4.878 -3.809 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.806 3.435 -3.979 1.00 0.00 C ATOM 836 CG2 ILE A 53 -0.992 5.490 -5.159 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.297 3.264 -3.792 1.00 0.00 C ATOM 0 H ILE A 53 0.920 3.164 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 53 0.207 6.002 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.149 5.445 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.530 3.085 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.283 2.802 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.858 5.425 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.716 6.536 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.157 4.948 -5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.563 2.216 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.577 3.583 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.828 3.870 -4.526 1.00 0.00 H new ATOM 849 N LYS A 54 -1.313 5.329 -0.782 1.00 0.00 N ATOM 850 CA LYS A 54 -1.771 5.032 0.575 1.00 0.00 C ATOM 851 C LYS A 54 -3.271 5.257 0.662 1.00 0.00 C ATOM 852 O LYS A 54 -3.789 6.244 0.140 1.00 0.00 O ATOM 853 CB LYS A 54 -1.048 5.929 1.600 1.00 0.00 C ATOM 854 CG LYS A 54 0.168 5.296 2.273 1.00 0.00 C ATOM 855 CD LYS A 54 1.055 6.352 2.912 1.00 0.00 C ATOM 856 CE LYS A 54 0.558 6.740 4.295 1.00 0.00 C ATOM 857 NZ LYS A 54 1.604 7.447 5.083 1.00 0.00 N ATOM 0 H LYS A 54 -1.657 6.214 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.542 3.991 0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.731 6.844 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.761 6.219 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.162 4.586 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.742 4.732 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.075 5.975 2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.086 7.236 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.319 7.380 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.242 5.845 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.225 7.694 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.431 6.827 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.887 8.314 4.584 1.00 0.00 H new ATOM 871 N VAL A 55 -3.968 4.335 1.306 1.00 0.00 N ATOM 872 CA VAL A 55 -5.411 4.443 1.432 1.00 0.00 C ATOM 873 C VAL A 55 -5.863 4.134 2.856 1.00 0.00 C ATOM 874 O VAL A 55 -5.685 3.026 3.356 1.00 0.00 O ATOM 875 CB VAL A 55 -6.093 3.493 0.417 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.599 3.370 0.635 1.00 0.00 C ATOM 877 CG2 VAL A 55 -5.793 3.942 -1.003 1.00 0.00 C ATOM 0 H VAL A 55 -3.561 3.510 1.746 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.707 5.469 1.212 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.675 2.500 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.020 2.691 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.791 2.980 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.063 4.351 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.278 3.267 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.170 4.954 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.716 3.928 -1.169 1.00 0.00 H new ATOM 887 N ASP A 56 -6.446 5.139 3.499 1.00 0.00 N ATOM 888 CA ASP A 56 -6.926 5.012 4.868 1.00 0.00 C ATOM 889 C ASP A 56 -8.290 4.323 4.902 1.00 0.00 C ATOM 890 O ASP A 56 -9.039 4.356 3.925 1.00 0.00 O ATOM 891 CB ASP A 56 -6.974 6.400 5.525 1.00 0.00 C ATOM 892 CG ASP A 56 -8.253 7.154 5.222 1.00 0.00 C ATOM 893 OD1 ASP A 56 -8.850 6.903 4.154 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.659 7.992 6.054 1.00 0.00 O ATOM 0 H ASP A 56 -6.598 6.060 3.088 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.238 4.386 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.871 6.289 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.122 6.988 5.183 1.00 0.00 H new ATOM 899 N VAL A 57 -8.590 3.679 6.025 1.00 0.00 N ATOM 900 CA VAL A 57 -9.845 2.956 6.185 1.00 0.00 C ATOM 901 C VAL A 57 -10.988 3.871 6.627 1.00 0.00 C ATOM 902 O VAL A 57 -12.161 3.533 6.464 1.00 0.00 O ATOM 903 CB VAL A 57 -9.700 1.810 7.214 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.487 0.948 6.900 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.603 2.358 8.631 1.00 0.00 C ATOM 0 H VAL A 57 -7.978 3.644 6.840 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.086 2.545 5.205 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.593 1.189 7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.407 0.150 7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.596 0.514 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.587 1.562 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.502 1.532 9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.733 3.010 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.504 2.925 8.864 1.00 0.00 H new ATOM 915 N ASP A 58 -10.642 5.008 7.220 1.00 0.00 N ATOM 916 CA ASP A 58 -11.644 5.944 7.719 1.00 0.00 C ATOM 917 C ASP A 58 -12.319 6.729 6.598 1.00 0.00 C ATOM 918 O ASP A 58 -13.539 6.889 6.589 1.00 0.00 O ATOM 919 CB ASP A 58 -11.016 6.914 8.721 1.00 0.00 C ATOM 920 CG ASP A 58 -11.493 6.670 10.140 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.723 6.633 10.354 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.637 6.516 11.036 1.00 0.00 O ATOM 0 H ASP A 58 -9.677 5.304 7.367 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.412 5.349 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.931 6.818 8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.256 7.937 8.431 1.00 0.00 H new ATOM 927 N GLU A 59 -11.520 7.238 5.670 1.00 0.00 N ATOM 928 CA GLU A 59 -12.046 8.032 4.566 1.00 0.00 C ATOM 929 C GLU A 59 -12.809 7.170 3.567 1.00 0.00 C ATOM 930 O GLU A 59 -13.885 7.553 3.107 1.00 0.00 O ATOM 931 CB GLU A 59 -10.912 8.777 3.856 1.00 0.00 C ATOM 932 CG GLU A 59 -11.224 10.238 3.573 1.00 0.00 C ATOM 933 CD GLU A 59 -12.570 10.432 2.900 1.00 0.00 C ATOM 934 OE1 GLU A 59 -13.594 10.447 3.615 1.00 0.00 O ATOM 935 OE2 GLU A 59 -12.599 10.569 1.659 1.00 0.00 O ATOM 0 H GLU A 59 -10.507 7.116 5.659 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.744 8.756 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.012 8.719 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.691 8.273 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.207 10.796 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.442 10.656 2.939 1.00 0.00 H new ATOM 942 N VAL A 60 -12.254 6.013 3.223 1.00 0.00 N ATOM 943 CA VAL A 60 -12.901 5.127 2.270 1.00 0.00 C ATOM 944 C VAL A 60 -13.057 3.717 2.829 1.00 0.00 C ATOM 945 O VAL A 60 -12.281 2.818 2.503 1.00 0.00 O ATOM 946 CB VAL A 60 -12.115 5.064 0.949 1.00 0.00 C ATOM 947 CG1 VAL A 60 -12.483 6.235 0.051 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.616 5.038 1.218 1.00 0.00 C ATOM 0 H VAL A 60 -11.365 5.671 3.588 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.892 5.540 2.080 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.383 4.142 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.917 6.173 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.550 6.202 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.247 7.171 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.077 4.993 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.327 5.940 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.369 4.162 1.818 1.00 0.00 H new ATOM 958 N SER A 61 -14.073 3.529 3.665 1.00 0.00 N ATOM 959 CA SER A 61 -14.342 2.226 4.261 1.00 0.00 C ATOM 960 C SER A 61 -14.674 1.208 3.179 1.00 0.00 C ATOM 961 O SER A 61 -14.354 0.026 3.303 1.00 0.00 O ATOM 962 CB SER A 61 -15.494 2.328 5.263 1.00 0.00 C ATOM 963 OG SER A 61 -15.045 2.079 6.584 1.00 0.00 O ATOM 0 H SER A 61 -14.724 4.263 3.945 1.00 0.00 H new ATOM 0 HA SER A 61 -13.448 1.894 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.941 3.321 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.273 1.613 5.000 1.00 0.00 H new ATOM 0 HG SER A 61 -14.148 2.456 6.701 1.00 0.00 H new ATOM 969 N GLU A 62 -15.309 1.678 2.111 1.00 0.00 N ATOM 970 CA GLU A 62 -15.674 0.812 0.999 1.00 0.00 C ATOM 971 C GLU A 62 -14.438 0.117 0.440 1.00 0.00 C ATOM 972 O GLU A 62 -14.516 -1.005 -0.055 1.00 0.00 O ATOM 973 CB GLU A 62 -16.365 1.618 -0.101 1.00 0.00 C ATOM 974 CG GLU A 62 -17.748 2.115 0.288 1.00 0.00 C ATOM 975 CD GLU A 62 -18.532 2.646 -0.896 1.00 0.00 C ATOM 976 OE1 GLU A 62 -18.690 1.901 -1.886 1.00 0.00 O ATOM 977 OE2 GLU A 62 -18.987 3.807 -0.834 1.00 0.00 O ATOM 0 H GLU A 62 -15.581 2.654 1.993 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.367 0.055 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.740 2.473 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.448 1.000 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.305 1.301 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.650 2.902 1.036 1.00 0.00 H new ATOM 984 N VAL A 63 -13.293 0.787 0.542 1.00 0.00 N ATOM 985 CA VAL A 63 -12.036 0.231 0.062 1.00 0.00 C ATOM 986 C VAL A 63 -11.663 -0.989 0.888 1.00 0.00 C ATOM 987 O VAL A 63 -11.202 -2.001 0.362 1.00 0.00 O ATOM 988 CB VAL A 63 -10.893 1.269 0.136 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.555 0.631 -0.205 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.179 2.452 -0.780 1.00 0.00 C ATOM 0 H VAL A 63 -13.212 1.717 0.954 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.174 -0.053 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.837 1.638 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.768 1.383 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.344 -0.172 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.593 0.224 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.362 3.170 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.270 2.102 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.110 2.931 -0.476 1.00 0.00 H new ATOM 1000 N THR A 64 -11.885 -0.879 2.189 1.00 0.00 N ATOM 1001 CA THR A 64 -11.597 -1.959 3.113 1.00 0.00 C ATOM 1002 C THR A 64 -12.398 -3.205 2.744 1.00 0.00 C ATOM 1003 O THR A 64 -11.869 -4.317 2.727 1.00 0.00 O ATOM 1004 CB THR A 64 -11.937 -1.530 4.555 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.136 -0.402 4.926 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.710 -2.662 5.548 1.00 0.00 C ATOM 0 H THR A 64 -12.268 -0.042 2.630 1.00 0.00 H new ATOM 0 HA THR A 64 -10.534 -2.192 3.050 1.00 0.00 H new ATOM 0 HB THR A 64 -12.994 -1.264 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.680 0.231 5.439 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.961 -2.321 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.343 -3.510 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.664 -2.967 5.519 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.678 -3.004 2.452 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.568 -4.103 2.083 1.00 0.00 C ATOM 1016 C GLU A 65 -14.237 -4.665 0.699 1.00 0.00 C ATOM 1017 O GLU A 65 -14.285 -5.877 0.486 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.024 -3.634 2.115 1.00 0.00 C ATOM 1019 CG GLU A 65 -17.024 -4.767 2.282 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.317 -4.311 2.929 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.889 -3.302 2.466 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -18.757 -4.964 3.899 1.00 0.00 O ATOM 0 H GLU A 65 -14.126 -2.088 2.463 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.422 -4.901 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.151 -2.925 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.245 -3.098 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.243 -5.200 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.577 -5.555 2.888 1.00 0.00 H new ATOM 1029 N LYS A 66 -13.922 -3.779 -0.243 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.608 -4.189 -1.612 1.00 0.00 C ATOM 1031 C LYS A 66 -12.434 -5.160 -1.664 1.00 0.00 C ATOM 1032 O LYS A 66 -12.350 -5.993 -2.566 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.298 -2.965 -2.475 1.00 0.00 C ATOM 1034 CG LYS A 66 -14.431 -1.956 -2.524 1.00 0.00 C ATOM 1035 CD LYS A 66 -15.047 -1.867 -3.911 1.00 0.00 C ATOM 1036 CE LYS A 66 -15.956 -0.656 -4.033 1.00 0.00 C ATOM 1037 NZ LYS A 66 -16.561 -0.549 -5.389 1.00 0.00 N ATOM 0 H LYS A 66 -13.877 -2.772 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.486 -4.703 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.403 -2.476 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.070 -3.294 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.199 -2.236 -1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.058 -0.976 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.257 -1.808 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.615 -2.774 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.748 -0.720 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.387 0.248 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.174 0.290 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.807 -0.462 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.125 -1.400 -5.585 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.528 -5.052 -0.701 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.364 -5.926 -0.655 1.00 0.00 C ATOM 1053 C GLU A 67 -10.458 -6.902 0.512 1.00 0.00 C ATOM 1054 O GLU A 67 -9.492 -7.593 0.833 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.084 -5.096 -0.548 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.633 -4.510 -1.874 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.257 -5.575 -2.886 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -7.215 -6.235 -2.693 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -9.006 -5.748 -3.870 1.00 0.00 O ATOM 0 H GLU A 67 -11.576 -4.370 0.056 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.336 -6.504 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.244 -4.286 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.287 -5.721 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.431 -3.891 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.777 -3.856 -1.706 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.630 -6.958 1.141 1.00 0.00 N ATOM 1067 CA ASN A 68 -11.859 -7.854 2.265 1.00 0.00 C ATOM 1068 C ASN A 68 -10.777 -7.681 3.335 1.00 0.00 C ATOM 1069 O ASN A 68 -10.329 -8.640 3.961 1.00 0.00 O ATOM 1070 CB ASN A 68 -11.963 -9.303 1.759 1.00 0.00 C ATOM 1071 CG ASN A 68 -10.689 -10.122 1.912 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -10.489 -10.797 2.922 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -9.829 -10.076 0.902 1.00 0.00 N ATOM 0 H ASN A 68 -12.438 -6.389 0.887 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.805 -7.600 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.768 -9.804 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.244 -9.287 0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.963 -10.613 0.945 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.034 -9.503 0.083 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.379 -6.433 3.543 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.363 -6.101 4.534 1.00 0.00 C ATOM 1082 C ILE A 69 -9.819 -6.525 5.929 1.00 0.00 C ATOM 1083 O ILE A 69 -10.838 -6.047 6.427 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.062 -4.587 4.523 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.491 -4.147 3.166 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.107 -4.223 5.647 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.036 -4.510 2.971 1.00 0.00 C ATOM 0 H ILE A 69 -10.747 -5.629 3.035 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.452 -6.642 4.277 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.001 -4.057 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.080 -4.602 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.603 -3.067 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.907 -3.152 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.555 -4.486 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.172 -4.769 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.704 -4.167 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.435 -4.033 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.919 -5.592 3.036 1.00 0.00 H new ATOM 1099 N THR A 70 -9.076 -7.444 6.546 1.00 0.00 N ATOM 1100 CA THR A 70 -9.435 -7.942 7.866 1.00 0.00 C ATOM 1101 C THR A 70 -8.473 -7.483 8.965 1.00 0.00 C ATOM 1102 O THR A 70 -8.901 -7.204 10.085 1.00 0.00 O ATOM 1103 CB THR A 70 -9.493 -9.479 7.870 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.170 -10.021 7.957 1.00 0.00 O ATOM 1105 CG2 THR A 70 -10.181 -10.005 6.617 1.00 0.00 C ATOM 0 H THR A 70 -8.229 -7.854 6.153 1.00 0.00 H new ATOM 0 HA THR A 70 -10.417 -7.523 8.085 1.00 0.00 H new ATOM 0 HB THR A 70 -10.072 -9.792 8.739 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.217 -11.000 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.208 -11.094 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.199 -9.618 6.571 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.629 -9.680 5.735 1.00 0.00 H new ATOM 1113 N SER A 71 -7.176 -7.433 8.664 1.00 0.00 N ATOM 1114 CA SER A 71 -6.186 -7.036 9.670 1.00 0.00 C ATOM 1115 C SER A 71 -5.282 -5.899 9.193 1.00 0.00 C ATOM 1116 O SER A 71 -4.819 -5.890 8.053 1.00 0.00 O ATOM 1117 CB SER A 71 -5.330 -8.241 10.061 1.00 0.00 C ATOM 1118 OG SER A 71 -4.255 -7.854 10.898 1.00 0.00 O ATOM 0 H SER A 71 -6.788 -7.658 7.748 1.00 0.00 H new ATOM 0 HA SER A 71 -6.740 -6.669 10.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.947 -8.978 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.941 -8.721 9.163 1.00 0.00 H new ATOM 0 HG SER A 71 -3.724 -8.643 11.135 1.00 0.00 H new ATOM 1124 N MET A 72 -5.030 -4.947 10.094 1.00 0.00 N ATOM 1125 CA MET A 72 -4.174 -3.797 9.803 1.00 0.00 C ATOM 1126 C MET A 72 -2.938 -3.795 10.706 1.00 0.00 C ATOM 1127 O MET A 72 -2.988 -4.293 11.830 1.00 0.00 O ATOM 1128 CB MET A 72 -4.970 -2.489 9.990 1.00 0.00 C ATOM 1129 CG MET A 72 -4.505 -1.608 11.146 1.00 0.00 C ATOM 1130 SD MET A 72 -4.899 -2.312 12.759 1.00 0.00 S ATOM 1131 CE MET A 72 -6.019 -1.073 13.405 1.00 0.00 C ATOM 0 H MET A 72 -5.411 -4.952 11.040 1.00 0.00 H new ATOM 0 HA MET A 72 -3.840 -3.869 8.768 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.912 -1.912 9.067 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.020 -2.739 10.144 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.428 -1.458 11.073 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.970 -0.626 11.059 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.351 -1.367 14.401 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.506 -0.113 13.462 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.883 -0.984 12.746 1.00 0.00 H new ATOM 1141 N PRO A 73 -1.822 -3.192 10.250 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.703 -2.580 8.917 1.00 0.00 C ATOM 1143 C PRO A 73 -1.591 -3.630 7.813 1.00 0.00 C ATOM 1144 O PRO A 73 -0.995 -4.688 8.020 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.408 -1.774 9.023 1.00 0.00 C ATOM 1146 CG PRO A 73 0.414 -2.546 9.991 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.553 -3.106 11.000 1.00 0.00 C ATOM 0 HA PRO A 73 -2.575 -1.981 8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.089 -1.687 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.596 -0.760 9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.961 -3.344 9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.154 -1.906 10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.234 -4.083 11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.645 -2.457 11.871 1.00 0.00 H new ATOM 1155 N THR A 74 -2.143 -3.339 6.640 1.00 0.00 N ATOM 1156 CA THR A 74 -2.068 -4.275 5.523 1.00 0.00 C ATOM 1157 C THR A 74 -1.394 -3.652 4.296 1.00 0.00 C ATOM 1158 O THR A 74 -1.832 -2.620 3.788 1.00 0.00 O ATOM 1159 CB THR A 74 -3.467 -4.779 5.118 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.426 -4.420 6.123 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.461 -6.290 4.920 1.00 0.00 C ATOM 0 H THR A 74 -2.642 -2.473 6.438 1.00 0.00 H new ATOM 0 HA THR A 74 -1.464 -5.114 5.870 1.00 0.00 H new ATOM 0 HB THR A 74 -3.743 -4.310 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.750 -5.230 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.459 -6.624 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.752 -6.551 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.168 -6.778 5.850 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.351 -4.321 3.804 1.00 0.00 N ATOM 1170 CA PHE A 75 0.371 -3.882 2.607 1.00 0.00 C ATOM 1171 C PHE A 75 0.122 -4.893 1.499 1.00 0.00 C ATOM 1172 O PHE A 75 0.483 -6.063 1.625 1.00 0.00 O ATOM 1173 CB PHE A 75 1.881 -3.765 2.860 1.00 0.00 C ATOM 1174 CG PHE A 75 2.302 -2.614 3.747 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.369 -1.760 4.316 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.648 -2.397 4.017 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.771 -0.719 5.134 1.00 0.00 C ATOM 1178 CE2 PHE A 75 4.050 -1.354 4.832 1.00 0.00 C ATOM 1179 CZ PHE A 75 3.110 -0.517 5.390 1.00 0.00 C ATOM 0 H PHE A 75 0.016 -5.177 4.220 1.00 0.00 H new ATOM 0 HA PHE A 75 0.007 -2.894 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.230 -4.695 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.387 -3.665 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.318 -1.909 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.390 -3.052 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.034 -0.063 5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.100 -1.196 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.422 0.297 6.028 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.519 -4.454 0.428 1.00 0.00 N ATOM 1190 CA LYS A 76 -0.837 -5.347 -0.677 1.00 0.00 C ATOM 1191 C LYS A 76 -0.243 -4.857 -1.991 1.00 0.00 C ATOM 1192 O LYS A 76 -0.229 -3.658 -2.272 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.355 -5.464 -0.820 1.00 0.00 C ATOM 1194 CG LYS A 76 -2.950 -6.691 -0.148 1.00 0.00 C ATOM 1195 CD LYS A 76 -4.105 -7.251 -0.958 1.00 0.00 C ATOM 1196 CE LYS A 76 -5.443 -6.956 -0.298 1.00 0.00 C ATOM 1197 NZ LYS A 76 -5.598 -7.682 0.993 1.00 0.00 N ATOM 0 H LYS A 76 -0.828 -3.491 0.299 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.401 -6.321 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.818 -4.572 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.609 -5.485 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.181 -7.454 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.296 -6.430 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.090 -6.822 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.983 -8.328 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.534 -5.884 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.251 -7.239 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.523 -7.454 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.537 -8.706 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.842 -7.393 1.647 1.00 0.00 H new ATOM 1211 N VAL A 77 0.208 -5.800 -2.810 1.00 0.00 N ATOM 1212 CA VAL A 77 0.758 -5.478 -4.114 1.00 0.00 C ATOM 1213 C VAL A 77 -0.212 -5.955 -5.177 1.00 0.00 C ATOM 1214 O VAL A 77 -0.743 -7.062 -5.090 1.00 0.00 O ATOM 1215 CB VAL A 77 2.137 -6.124 -4.344 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.678 -5.756 -5.719 1.00 0.00 C ATOM 1217 CG2 VAL A 77 3.110 -5.697 -3.258 1.00 0.00 C ATOM 0 H VAL A 77 0.202 -6.796 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 77 0.897 -4.398 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 77 2.022 -7.207 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.653 -6.222 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.990 -6.109 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.779 -4.673 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.080 -6.162 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.219 -4.613 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.730 -6.010 -2.285 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.476 -5.111 -6.158 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.420 -5.458 -7.203 1.00 0.00 C ATOM 1229 C TYR A 78 -0.745 -5.601 -8.558 1.00 0.00 C ATOM 1230 O TYR A 78 0.056 -4.759 -8.960 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.509 -4.397 -7.274 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.374 -4.324 -6.035 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -2.929 -3.660 -4.899 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.633 -4.912 -5.998 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -3.711 -3.585 -3.763 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -5.421 -4.839 -4.867 1.00 0.00 C ATOM 1237 CZ TYR A 78 -4.956 -4.175 -3.753 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.739 -4.097 -2.627 1.00 0.00 O ATOM 0 H TYR A 78 -0.053 -4.187 -6.252 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.856 -6.425 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.045 -3.425 -7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.144 -4.599 -8.137 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.955 -3.194 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.001 -5.435 -6.869 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.349 -3.067 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.397 -5.300 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.033 -4.996 -2.370 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.090 -6.673 -9.261 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.542 -6.944 -10.575 1.00 0.00 C ATOM 1250 C LYS A 79 -1.657 -6.982 -11.608 1.00 0.00 C ATOM 1251 O LYS A 79 -2.629 -7.725 -11.473 1.00 0.00 O ATOM 1252 CB LYS A 79 0.213 -8.271 -10.559 1.00 0.00 C ATOM 1253 CG LYS A 79 0.811 -8.640 -11.900 1.00 0.00 C ATOM 1254 CD LYS A 79 2.312 -8.861 -11.800 1.00 0.00 C ATOM 1255 CE LYS A 79 3.014 -8.549 -13.111 1.00 0.00 C ATOM 1256 NZ LYS A 79 4.154 -9.473 -13.363 1.00 0.00 N ATOM 0 H LYS A 79 -1.755 -7.374 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 79 0.153 -6.148 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.009 -8.218 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.466 -9.063 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.333 -9.545 -12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.606 -7.849 -12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.721 -8.232 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.510 -9.895 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.300 -8.621 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.377 -7.521 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.607 -9.227 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.848 -9.386 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.805 -10.452 -13.405 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.504 -6.164 -12.632 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.484 -6.067 -13.704 1.00 0.00 C ATOM 1272 C ASN A 80 -3.864 -5.669 -13.175 1.00 0.00 C ATOM 1273 O ASN A 80 -4.888 -6.094 -13.709 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.577 -7.397 -14.456 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.724 -7.409 -15.713 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -2.039 -6.734 -16.693 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.637 -8.176 -15.695 1.00 0.00 N ATOM 0 H ASN A 80 -0.699 -5.548 -12.747 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.150 -5.286 -14.387 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.262 -8.207 -13.798 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.616 -7.589 -14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.030 -8.220 -16.514 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.411 -8.720 -14.863 1.00 0.00 H new ATOM 1284 N GLY A 81 -3.886 -4.821 -12.147 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.147 -4.352 -11.600 1.00 0.00 C ATOM 1286 C GLY A 81 -5.827 -5.336 -10.671 1.00 0.00 C ATOM 1287 O GLY A 81 -7.053 -5.336 -10.562 1.00 0.00 O ATOM 0 H GLY A 81 -3.055 -4.452 -11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.972 -3.422 -11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.823 -4.120 -12.423 1.00 0.00 H new ATOM 1291 N SER A 82 -5.050 -6.167 -9.987 1.00 0.00 N ATOM 1292 CA SER A 82 -5.626 -7.130 -9.063 1.00 0.00 C ATOM 1293 C SER A 82 -4.659 -7.441 -7.935 1.00 0.00 C ATOM 1294 O SER A 82 -3.479 -7.111 -8.017 1.00 0.00 O ATOM 1295 CB SER A 82 -6.015 -8.410 -9.801 1.00 0.00 C ATOM 1296 OG SER A 82 -5.234 -8.581 -10.972 1.00 0.00 O ATOM 0 H SER A 82 -4.033 -6.193 -10.054 1.00 0.00 H new ATOM 0 HA SER A 82 -6.525 -6.691 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.881 -9.268 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.071 -8.374 -10.067 1.00 0.00 H new ATOM 0 HG SER A 82 -4.310 -8.311 -10.791 1.00 0.00 H new ATOM 1302 N SER A 83 -5.164 -8.063 -6.874 1.00 0.00 N ATOM 1303 CA SER A 83 -4.326 -8.388 -5.732 1.00 0.00 C ATOM 1304 C SER A 83 -3.342 -9.495 -6.082 1.00 0.00 C ATOM 1305 O SER A 83 -3.717 -10.505 -6.679 1.00 0.00 O ATOM 1306 CB SER A 83 -5.185 -8.800 -4.538 1.00 0.00 C ATOM 1307 OG SER A 83 -6.442 -9.301 -4.960 1.00 0.00 O ATOM 0 H SER A 83 -6.139 -8.348 -6.784 1.00 0.00 H new ATOM 0 HA SER A 83 -3.759 -7.497 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.664 -9.561 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.334 -7.943 -3.881 1.00 0.00 H new ATOM 0 HG SER A 83 -6.971 -9.559 -4.176 1.00 0.00 H new ATOM 1313 N VAL A 84 -2.077 -9.295 -5.723 1.00 0.00 N ATOM 1314 CA VAL A 84 -1.047 -10.273 -6.019 1.00 0.00 C ATOM 1315 C VAL A 84 -0.452 -10.866 -4.738 1.00 0.00 C ATOM 1316 O VAL A 84 -0.119 -12.050 -4.694 1.00 0.00 O ATOM 1317 CB VAL A 84 0.051 -9.651 -6.922 1.00 0.00 C ATOM 1318 CG1 VAL A 84 1.042 -8.796 -6.145 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.770 -10.728 -7.720 1.00 0.00 C ATOM 0 H VAL A 84 -1.746 -8.466 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.508 -11.095 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.458 -8.982 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.786 -8.388 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.512 -7.979 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.539 -9.408 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.535 -10.268 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.238 -11.436 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.053 -11.253 -8.351 1.00 0.00 H new ATOM 1329 N ASP A 85 -0.340 -10.047 -3.693 1.00 0.00 N ATOM 1330 CA ASP A 85 0.191 -10.510 -2.414 1.00 0.00 C ATOM 1331 C ASP A 85 -0.342 -9.668 -1.261 1.00 0.00 C ATOM 1332 O ASP A 85 -0.950 -8.620 -1.477 1.00 0.00 O ATOM 1333 CB ASP A 85 1.716 -10.482 -2.419 1.00 0.00 C ATOM 1334 CG ASP A 85 2.310 -11.589 -1.569 1.00 0.00 C ATOM 1335 OD1 ASP A 85 1.741 -12.701 -1.561 1.00 0.00 O ATOM 1336 OD2 ASP A 85 3.343 -11.344 -0.911 1.00 0.00 O ATOM 0 H ASP A 85 -0.609 -9.063 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.141 -11.539 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.077 -10.579 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.062 -9.517 -2.049 1.00 0.00 H new ATOM 1341 N THR A 86 -0.098 -10.124 -0.035 1.00 0.00 N ATOM 1342 CA THR A 86 -0.540 -9.408 1.147 1.00 0.00 C ATOM 1343 C THR A 86 0.511 -9.475 2.251 1.00 0.00 C ATOM 1344 O THR A 86 1.016 -10.551 2.572 1.00 0.00 O ATOM 1345 CB THR A 86 -1.855 -9.984 1.683 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.744 -11.404 1.838 1.00 0.00 O ATOM 1347 CG2 THR A 86 -3.013 -9.659 0.753 1.00 0.00 C ATOM 0 H THR A 86 0.405 -10.989 0.161 1.00 0.00 H new ATOM 0 HA THR A 86 -0.694 -8.370 0.853 1.00 0.00 H new ATOM 0 HB THR A 86 -2.053 -9.528 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.818 -11.637 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.934 -10.080 1.158 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.116 -8.577 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.820 -10.087 -0.231 1.00 0.00 H new ATOM 1355 N LEU A 87 0.838 -8.324 2.832 1.00 0.00 N ATOM 1356 CA LEU A 87 1.828 -8.263 3.901 1.00 0.00 C ATOM 1357 C LEU A 87 1.172 -7.811 5.208 1.00 0.00 C ATOM 1358 O LEU A 87 0.607 -6.720 5.289 1.00 0.00 O ATOM 1359 CB LEU A 87 2.985 -7.336 3.483 1.00 0.00 C ATOM 1360 CG LEU A 87 3.486 -6.336 4.530 1.00 0.00 C ATOM 1361 CD1 LEU A 87 4.023 -7.051 5.753 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.556 -5.444 3.925 1.00 0.00 C ATOM 0 H LEU A 87 0.432 -7.423 2.580 1.00 0.00 H new ATOM 0 HA LEU A 87 2.242 -9.256 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.826 -7.959 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.670 -6.776 2.603 1.00 0.00 H new ATOM 0 HG LEU A 87 2.645 -5.719 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.372 -6.317 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.232 -7.655 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.852 -7.696 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.907 -4.736 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.391 -6.057 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.139 -4.898 3.079 1.00 0.00 H new ATOM 1374 N LEU A 88 1.241 -8.673 6.222 1.00 0.00 N ATOM 1375 CA LEU A 88 0.644 -8.384 7.525 1.00 0.00 C ATOM 1376 C LEU A 88 1.656 -7.718 8.448 1.00 0.00 C ATOM 1377 O LEU A 88 2.830 -8.090 8.470 1.00 0.00 O ATOM 1378 CB LEU A 88 0.108 -9.669 8.167 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.416 -9.780 8.210 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.837 -11.136 8.755 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.007 -8.659 9.051 1.00 0.00 C ATOM 0 H LEU A 88 1.706 -9.579 6.166 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.187 -7.696 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.505 -10.524 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.491 -9.736 9.185 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.798 -9.686 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.925 -11.197 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.443 -11.924 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.445 -11.260 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.093 -8.753 9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.618 -8.723 10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.734 -7.697 8.618 1.00 0.00 H new ATOM 1393 N GLY A 89 1.202 -6.711 9.189 1.00 0.00 N ATOM 1394 CA GLY A 89 2.095 -5.993 10.076 1.00 0.00 C ATOM 1395 C GLY A 89 3.102 -5.199 9.279 1.00 0.00 C ATOM 1396 O GLY A 89 3.767 -5.751 8.401 1.00 0.00 O ATOM 0 H GLY A 89 0.237 -6.382 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.521 -5.324 10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.612 -6.696 10.729 1.00 0.00 H new ATOM 1400 N ALA A 90 3.208 -3.903 9.546 1.00 0.00 N ATOM 1401 CA ALA A 90 4.135 -3.080 8.791 1.00 0.00 C ATOM 1402 C ALA A 90 5.527 -3.084 9.402 1.00 0.00 C ATOM 1403 O ALA A 90 5.776 -2.466 10.437 1.00 0.00 O ATOM 1404 CB ALA A 90 3.608 -1.658 8.685 1.00 0.00 C ATOM 0 H ALA A 90 2.675 -3.411 10.263 1.00 0.00 H new ATOM 0 HA ALA A 90 4.217 -3.509 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.312 -1.050 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.643 -1.664 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.491 -1.238 9.684 1.00 0.00 H new ATOM 1410 N ASN A 91 6.437 -3.751 8.709 1.00 0.00 N ATOM 1411 CA ASN A 91 7.830 -3.818 9.111 1.00 0.00 C ATOM 1412 C ASN A 91 8.681 -3.275 7.973 1.00 0.00 C ATOM 1413 O ASN A 91 8.387 -3.536 6.806 1.00 0.00 O ATOM 1414 CB ASN A 91 8.227 -5.254 9.463 1.00 0.00 C ATOM 1415 CG ASN A 91 7.402 -5.815 10.605 1.00 0.00 C ATOM 1416 OD1 ASN A 91 6.255 -5.418 10.811 1.00 0.00 O ATOM 1417 ND2 ASN A 91 7.982 -6.745 11.356 1.00 0.00 N ATOM 0 H ASN A 91 6.228 -4.261 7.851 1.00 0.00 H new ATOM 0 HA ASN A 91 7.989 -3.216 10.006 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.106 -5.888 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.283 -5.281 9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.474 -7.159 12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.935 -7.045 11.150 1.00 0.00 H new ATOM 1424 N ASP A 92 9.722 -2.519 8.286 1.00 0.00 N ATOM 1425 CA ASP A 92 10.563 -1.966 7.234 1.00 0.00 C ATOM 1426 C ASP A 92 11.272 -3.098 6.485 1.00 0.00 C ATOM 1427 O ASP A 92 11.373 -3.092 5.261 1.00 0.00 O ATOM 1428 CB ASP A 92 11.598 -1.012 7.834 1.00 0.00 C ATOM 1429 CG ASP A 92 10.962 0.201 8.486 1.00 0.00 C ATOM 1430 OD1 ASP A 92 9.718 0.237 8.589 1.00 0.00 O ATOM 1431 OD2 ASP A 92 11.710 1.116 8.893 1.00 0.00 O ATOM 0 H ASP A 92 10.001 -2.278 9.237 1.00 0.00 H new ATOM 0 HA ASP A 92 9.936 -1.413 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.194 -1.547 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.281 -0.683 7.051 1.00 0.00 H new ATOM 1436 N SER A 93 11.754 -4.070 7.251 1.00 0.00 N ATOM 1437 CA SER A 93 12.458 -5.230 6.715 1.00 0.00 C ATOM 1438 C SER A 93 11.548 -6.203 5.962 1.00 0.00 C ATOM 1439 O SER A 93 11.958 -6.791 4.961 1.00 0.00 O ATOM 1440 CB SER A 93 13.160 -5.968 7.848 1.00 0.00 C ATOM 1441 OG SER A 93 13.813 -5.064 8.721 1.00 0.00 O ATOM 0 H SER A 93 11.667 -4.076 8.267 1.00 0.00 H new ATOM 0 HA SER A 93 13.179 -4.850 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.433 -6.557 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.887 -6.668 7.435 1.00 0.00 H new ATOM 0 HG SER A 93 14.254 -5.564 9.440 1.00 0.00 H new ATOM 1447 N ALA A 94 10.331 -6.403 6.461 1.00 0.00 N ATOM 1448 CA ALA A 94 9.404 -7.342 5.834 1.00 0.00 C ATOM 1449 C ALA A 94 8.941 -6.813 4.508 1.00 0.00 C ATOM 1450 O ALA A 94 8.901 -7.538 3.514 1.00 0.00 O ATOM 1451 CB ALA A 94 8.219 -7.625 6.745 1.00 0.00 C ATOM 0 H ALA A 94 9.966 -5.933 7.289 1.00 0.00 H new ATOM 0 HA ALA A 94 9.930 -8.282 5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.543 -8.327 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.574 -8.056 7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.689 -6.695 6.952 1.00 0.00 H new ATOM 1457 N LEU A 95 8.622 -5.541 4.488 1.00 0.00 N ATOM 1458 CA LEU A 95 8.200 -4.916 3.271 1.00 0.00 C ATOM 1459 C LEU A 95 9.385 -4.817 2.329 1.00 0.00 C ATOM 1460 O LEU A 95 9.227 -4.901 1.114 1.00 0.00 O ATOM 1461 CB LEU A 95 7.635 -3.536 3.546 1.00 0.00 C ATOM 1462 CG LEU A 95 7.742 -2.573 2.369 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.394 -2.429 1.699 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.308 -1.240 2.820 1.00 0.00 C ATOM 0 H LEU A 95 8.648 -4.926 5.301 1.00 0.00 H new ATOM 0 HA LEU A 95 7.415 -5.517 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.586 -3.634 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.156 -3.106 4.402 1.00 0.00 H new ATOM 0 HG LEU A 95 8.435 -2.976 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.477 -1.740 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.061 -3.402 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.671 -2.041 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.377 -0.566 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.654 -0.804 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.301 -1.391 3.244 1.00 0.00 H new ATOM 1476 N LYS A 96 10.581 -4.657 2.898 1.00 0.00 N ATOM 1477 CA LYS A 96 11.781 -4.560 2.087 1.00 0.00 C ATOM 1478 C LYS A 96 11.832 -5.775 1.185 1.00 0.00 C ATOM 1479 O LYS A 96 12.091 -5.674 -0.013 1.00 0.00 O ATOM 1480 CB LYS A 96 13.025 -4.505 2.981 1.00 0.00 C ATOM 1481 CG LYS A 96 14.339 -4.623 2.222 1.00 0.00 C ATOM 1482 CD LYS A 96 14.591 -3.409 1.343 1.00 0.00 C ATOM 1483 CE LYS A 96 15.627 -2.476 1.954 1.00 0.00 C ATOM 1484 NZ LYS A 96 16.764 -2.224 1.026 1.00 0.00 N ATOM 0 H LYS A 96 10.737 -4.593 3.904 1.00 0.00 H new ATOM 0 HA LYS A 96 11.761 -3.648 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.020 -3.566 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.968 -5.309 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.160 -4.736 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.324 -5.522 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.930 -3.736 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.657 -2.868 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.154 -1.529 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.004 -2.909 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.447 -1.584 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.232 -3.124 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.408 -1.787 0.152 1.00 0.00 H new ATOM 1498 N GLN A 97 11.531 -6.919 1.778 1.00 0.00 N ATOM 1499 CA GLN A 97 11.482 -8.168 1.048 1.00 0.00 C ATOM 1500 C GLN A 97 10.249 -8.212 0.145 1.00 0.00 C ATOM 1501 O GLN A 97 10.282 -8.814 -0.928 1.00 0.00 O ATOM 1502 CB GLN A 97 11.462 -9.350 2.018 1.00 0.00 C ATOM 1503 CG GLN A 97 12.843 -9.897 2.339 1.00 0.00 C ATOM 1504 CD GLN A 97 13.784 -8.831 2.864 1.00 0.00 C ATOM 1505 OE1 GLN A 97 13.937 -7.770 2.260 1.00 0.00 O ATOM 1506 NE2 GLN A 97 14.422 -9.110 3.996 1.00 0.00 N ATOM 0 H GLN A 97 11.316 -7.004 2.771 1.00 0.00 H new ATOM 0 HA GLN A 97 12.374 -8.237 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.979 -9.041 2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.854 -10.148 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.752 -10.692 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.271 -10.344 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.265 -10.003 4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.069 -8.431 4.397 1.00 0.00 H new ATOM 1515 N LEU A 98 9.149 -7.584 0.589 1.00 0.00 N ATOM 1516 CA LEU A 98 7.922 -7.581 -0.183 1.00 0.00 C ATOM 1517 C LEU A 98 8.065 -6.770 -1.465 1.00 0.00 C ATOM 1518 O LEU A 98 7.728 -7.240 -2.551 1.00 0.00 O ATOM 1519 CB LEU A 98 6.787 -7.015 0.664 1.00 0.00 C ATOM 1520 CG LEU A 98 5.468 -6.877 -0.081 1.00 0.00 C ATOM 1521 CD1 LEU A 98 4.394 -7.761 0.537 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.023 -5.424 -0.117 1.00 0.00 C ATOM 0 H LEU A 98 9.096 -7.079 1.473 1.00 0.00 H new ATOM 0 HA LEU A 98 7.698 -8.610 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.637 -7.660 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.083 -6.036 1.042 1.00 0.00 H new ATOM 0 HG LEU A 98 5.622 -7.212 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.462 -7.642 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.711 -8.803 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.239 -7.472 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.078 -5.346 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.893 -5.058 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.779 -4.824 -0.624 1.00 0.00 H new ATOM 1534 N ILE A 99 8.572 -5.552 -1.329 1.00 0.00 N ATOM 1535 CA ILE A 99 8.764 -4.678 -2.469 1.00 0.00 C ATOM 1536 C ILE A 99 9.861 -5.199 -3.373 1.00 0.00 C ATOM 1537 O ILE A 99 9.804 -5.057 -4.591 1.00 0.00 O ATOM 1538 CB ILE A 99 9.028 -3.209 -2.051 1.00 0.00 C ATOM 1539 CG1 ILE A 99 9.343 -2.383 -3.267 1.00 0.00 C ATOM 1540 CG2 ILE A 99 10.137 -3.026 -1.020 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.173 -2.233 -4.190 1.00 0.00 C ATOM 0 H ILE A 99 8.857 -5.150 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 99 7.830 -4.679 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 99 8.109 -2.875 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.679 -1.395 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.170 -2.843 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.249 -1.966 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.882 -3.570 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.074 -3.411 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.462 -1.627 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.851 -3.217 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.353 -1.746 -3.662 1.00 0.00 H new ATOM 1553 N GLU A 100 10.847 -5.809 -2.766 1.00 0.00 N ATOM 1554 CA GLU A 100 11.962 -6.369 -3.499 1.00 0.00 C ATOM 1555 C GLU A 100 11.509 -7.507 -4.411 1.00 0.00 C ATOM 1556 O GLU A 100 12.082 -7.736 -5.471 1.00 0.00 O ATOM 1557 CB GLU A 100 13.032 -6.864 -2.528 1.00 0.00 C ATOM 1558 CG GLU A 100 14.122 -5.841 -2.254 1.00 0.00 C ATOM 1559 CD GLU A 100 15.472 -6.481 -1.993 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.740 -7.557 -2.568 1.00 0.00 O ATOM 1561 OE2 GLU A 100 16.260 -5.906 -1.214 1.00 0.00 O ATOM 0 H GLU A 100 10.903 -5.933 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 100 12.384 -5.584 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.557 -7.139 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.487 -7.769 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.203 -5.165 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.839 -5.236 -1.393 1.00 0.00 H new ATOM 1568 N LYS A 101 10.505 -8.243 -3.970 1.00 0.00 N ATOM 1569 CA LYS A 101 10.001 -9.389 -4.720 1.00 0.00 C ATOM 1570 C LYS A 101 9.391 -9.012 -6.064 1.00 0.00 C ATOM 1571 O LYS A 101 9.640 -9.668 -7.076 1.00 0.00 O ATOM 1572 CB LYS A 101 8.920 -10.069 -3.893 1.00 0.00 C ATOM 1573 CG LYS A 101 9.258 -11.481 -3.453 1.00 0.00 C ATOM 1574 CD LYS A 101 8.031 -12.188 -2.896 1.00 0.00 C ATOM 1575 CE LYS A 101 8.276 -12.704 -1.488 1.00 0.00 C ATOM 1576 NZ LYS A 101 7.533 -13.966 -1.221 1.00 0.00 N ATOM 0 H LYS A 101 10.017 -8.069 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 101 10.853 -10.041 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.723 -9.464 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.998 -10.094 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.654 -12.044 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.041 -11.452 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.185 -11.501 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.762 -13.019 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.343 -12.874 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.974 -11.945 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.727 -14.284 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.513 -13.798 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.839 -14.698 -1.893 1.00 0.00 H new ATOM 1590 N TYR A 102 8.572 -7.976 -6.063 1.00 0.00 N ATOM 1591 CA TYR A 102 7.902 -7.538 -7.277 1.00 0.00 C ATOM 1592 C TYR A 102 8.614 -6.358 -7.900 1.00 0.00 C ATOM 1593 O TYR A 102 8.522 -6.127 -9.104 1.00 0.00 O ATOM 1594 CB TYR A 102 6.451 -7.183 -6.967 1.00 0.00 C ATOM 1595 CG TYR A 102 5.843 -8.116 -5.957 1.00 0.00 C ATOM 1596 CD1 TYR A 102 5.251 -9.303 -6.357 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.893 -7.826 -4.602 1.00 0.00 C ATOM 1598 CE1 TYR A 102 4.724 -10.179 -5.435 1.00 0.00 C ATOM 1599 CE2 TYR A 102 5.361 -8.696 -3.672 1.00 0.00 C ATOM 1600 CZ TYR A 102 4.780 -9.872 -4.093 1.00 0.00 C ATOM 1601 OH TYR A 102 4.265 -10.747 -3.170 1.00 0.00 O ATOM 0 H TYR A 102 8.354 -7.421 -5.235 1.00 0.00 H new ATOM 0 HA TYR A 102 7.925 -8.356 -7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.401 -6.161 -6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.866 -7.214 -7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.202 -9.545 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.354 -6.908 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.269 -11.102 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.400 -8.456 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 102 4.331 -10.354 -2.275 1.00 0.00 H new ATOM 1611 N ALA A 103 9.320 -5.608 -7.067 1.00 0.00 N ATOM 1612 CA ALA A 103 10.038 -4.439 -7.538 1.00 0.00 C ATOM 1613 C ALA A 103 11.511 -4.741 -7.718 1.00 0.00 C ATOM 1614 O ALA A 103 12.146 -4.243 -8.647 1.00 0.00 O ATOM 1615 CB ALA A 103 9.839 -3.283 -6.577 1.00 0.00 C ATOM 0 H ALA A 103 9.409 -5.789 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 103 9.636 -4.157 -8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.382 -2.410 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.777 -3.046 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.214 -3.560 -5.592 1.00 0.00 H new ATOM 1621 N ALA A 104 12.058 -5.564 -6.832 1.00 0.00 N ATOM 1622 CA ALA A 104 13.468 -5.918 -6.929 1.00 0.00 C ATOM 1623 C ALA A 104 13.658 -7.313 -7.515 1.00 0.00 C ATOM 1624 CB ALA A 104 14.163 -5.804 -5.581 1.00 0.00 C ATOM 0 H ALA A 104 11.558 -5.992 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 104 13.930 -5.203 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.213 -6.075 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.088 -4.779 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.686 -6.476 -4.868 1.00 0.00 H new TER 1630 ALA A 104