USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 753 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.28! C(o=-3.3!,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.544 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0686 K(o=-0.069,f=-1.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00702 K(o=-0.007,f=-1.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.49) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.299) USER MOD Single : A 45 HIS : no HE2:sc= 0.0244 K(o=0.024,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.36) USER MOD Single : A 50 HIS : no HD1:sc= -0.775! X(o=-0.78!,f=-0.35) USER MOD Single : A 51 SER OG : rot 78:sc= 0.0101 USER MOD Single : A 52 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.32) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 148:sc= -3.1 (180deg=-9.6!) USER MOD Single : A 61 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.99! C(o=-3!,f=-11!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 69.128 -2.078 -14.105 1.00 0.00 N ATOM 37 CA THR A 3 68.478 -1.881 -15.424 1.00 0.00 C ATOM 38 C THR A 3 68.811 -0.482 -15.963 1.00 0.00 C ATOM 39 O THR A 3 69.710 0.180 -15.486 1.00 0.00 O ATOM 40 CB THR A 3 66.954 -2.080 -15.283 1.00 0.00 C ATOM 41 OG1 THR A 3 66.475 -2.801 -16.409 1.00 0.00 O ATOM 42 CG2 THR A 3 66.217 -0.737 -15.198 1.00 0.00 C ATOM 0 HA THR A 3 68.854 -2.615 -16.136 1.00 0.00 H new ATOM 0 HB THR A 3 66.765 -2.632 -14.362 1.00 0.00 H new ATOM 0 HG1 THR A 3 65.507 -2.933 -16.326 1.00 0.00 H new ATOM 0 HG21 THR A 3 65.146 -0.915 -15.099 1.00 0.00 H new ATOM 0 HG22 THR A 3 66.574 -0.181 -14.331 1.00 0.00 H new ATOM 0 HG23 THR A 3 66.407 -0.160 -16.103 1.00 0.00 H new ATOM 50 N LYS A 4 68.092 -0.036 -16.957 1.00 0.00 N ATOM 51 CA LYS A 4 68.363 1.311 -17.532 1.00 0.00 C ATOM 52 C LYS A 4 68.566 2.330 -16.407 1.00 0.00 C ATOM 53 O LYS A 4 69.677 2.606 -16.001 1.00 0.00 O ATOM 54 CB LYS A 4 67.178 1.741 -18.400 1.00 0.00 C ATOM 55 CG LYS A 4 67.589 1.720 -19.873 1.00 0.00 C ATOM 56 CD LYS A 4 66.360 1.959 -20.751 1.00 0.00 C ATOM 57 CE LYS A 4 66.798 2.537 -22.098 1.00 0.00 C ATOM 58 NZ LYS A 4 65.743 2.276 -23.118 1.00 0.00 N ATOM 0 H LYS A 4 67.327 -0.548 -17.396 1.00 0.00 H new ATOM 0 HA LYS A 4 69.267 1.265 -18.139 1.00 0.00 H new ATOM 0 HB2 LYS A 4 66.333 1.072 -18.238 1.00 0.00 H new ATOM 0 HB3 LYS A 4 66.851 2.742 -18.117 1.00 0.00 H new ATOM 0 HG2 LYS A 4 68.339 2.488 -20.063 1.00 0.00 H new ATOM 0 HG3 LYS A 4 68.045 0.761 -20.120 1.00 0.00 H new ATOM 0 HD2 LYS A 4 65.821 1.024 -20.903 1.00 0.00 H new ATOM 0 HD3 LYS A 4 65.674 2.645 -20.255 1.00 0.00 H new ATOM 0 HE2 LYS A 4 66.973 3.609 -22.006 1.00 0.00 H new ATOM 0 HE3 LYS A 4 67.740 2.086 -22.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 66.041 2.669 -24.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 65.597 1.251 -23.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 64.854 2.726 -22.821 1.00 0.00 H new ATOM 72 N GLU A 5 67.503 2.904 -15.909 1.00 0.00 N ATOM 73 CA GLU A 5 67.641 3.914 -14.827 1.00 0.00 C ATOM 74 C GLU A 5 67.601 3.237 -13.466 1.00 0.00 C ATOM 75 O GLU A 5 67.371 3.859 -12.448 1.00 0.00 O ATOM 76 CB GLU A 5 66.503 4.921 -14.924 1.00 0.00 C ATOM 77 CG GLU A 5 67.073 6.322 -15.155 1.00 0.00 C ATOM 78 CD GLU A 5 67.359 6.517 -16.646 1.00 0.00 C ATOM 79 OE1 GLU A 5 66.514 6.146 -17.444 1.00 0.00 O ATOM 80 OE2 GLU A 5 68.417 7.035 -16.964 1.00 0.00 O ATOM 0 H GLU A 5 66.546 2.715 -16.207 1.00 0.00 H new ATOM 0 HA GLU A 5 68.597 4.425 -14.941 1.00 0.00 H new ATOM 0 HB2 GLU A 5 65.834 4.651 -15.741 1.00 0.00 H new ATOM 0 HB3 GLU A 5 65.911 4.905 -14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 5 66.366 7.076 -14.808 1.00 0.00 H new ATOM 0 HG3 GLU A 5 67.988 6.454 -14.578 1.00 0.00 H new ATOM 87 N GLU A 6 67.839 1.971 -13.448 1.00 0.00 N ATOM 88 CA GLU A 6 67.837 1.224 -12.163 1.00 0.00 C ATOM 89 C GLU A 6 69.201 1.348 -11.501 1.00 0.00 C ATOM 90 O GLU A 6 69.478 0.758 -10.476 1.00 0.00 O ATOM 91 CB GLU A 6 67.536 -0.240 -12.434 1.00 0.00 C ATOM 92 CG GLU A 6 66.027 -0.475 -12.373 1.00 0.00 C ATOM 93 CD GLU A 6 65.562 -0.447 -10.917 1.00 0.00 C ATOM 94 OE1 GLU A 6 66.044 -1.261 -10.146 1.00 0.00 O ATOM 95 OE2 GLU A 6 64.732 0.388 -10.596 1.00 0.00 O ATOM 0 H GLU A 6 68.038 1.407 -14.274 1.00 0.00 H new ATOM 0 HA GLU A 6 67.075 1.637 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 6 67.919 -0.525 -13.414 1.00 0.00 H new ATOM 0 HB3 GLU A 6 68.042 -0.867 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 6 65.506 0.292 -12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 6 65.780 -1.435 -12.826 1.00 0.00 H new ATOM 102 N LYS A 7 70.041 2.121 -12.093 1.00 0.00 N ATOM 103 CA LYS A 7 71.405 2.331 -11.546 1.00 0.00 C ATOM 104 C LYS A 7 71.888 3.738 -11.904 1.00 0.00 C ATOM 105 O LYS A 7 72.559 4.390 -11.129 1.00 0.00 O ATOM 106 CB LYS A 7 72.363 1.295 -12.136 1.00 0.00 C ATOM 107 CG LYS A 7 72.427 1.467 -13.656 1.00 0.00 C ATOM 108 CD LYS A 7 73.561 2.429 -14.014 1.00 0.00 C ATOM 109 CE LYS A 7 74.821 1.630 -14.351 1.00 0.00 C ATOM 110 NZ LYS A 7 75.883 2.557 -14.834 1.00 0.00 N ATOM 0 H LYS A 7 69.843 2.632 -12.953 1.00 0.00 H new ATOM 0 HA LYS A 7 71.380 2.220 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.356 1.415 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.026 0.289 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 7 72.590 0.502 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.478 1.852 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.272 3.048 -14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 7 73.757 3.103 -13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.168 1.090 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 7 74.599 0.885 -15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.740 2.014 -15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.550 3.053 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.102 3.251 -14.091 1.00 0.00 H new ATOM 124 N GLN A 8 71.552 4.213 -13.073 1.00 0.00 N ATOM 125 CA GLN A 8 71.992 5.575 -13.479 1.00 0.00 C ATOM 126 C GLN A 8 71.333 6.616 -12.572 1.00 0.00 C ATOM 127 O GLN A 8 71.957 7.566 -12.145 1.00 0.00 O ATOM 128 CB GLN A 8 71.580 5.830 -14.931 1.00 0.00 C ATOM 129 CG GLN A 8 72.828 5.885 -15.814 1.00 0.00 C ATOM 130 CD GLN A 8 72.427 6.266 -17.240 1.00 0.00 C ATOM 131 OE1 GLN A 8 71.275 6.152 -17.611 1.00 0.00 O ATOM 132 NE2 GLN A 8 73.334 6.718 -18.062 1.00 0.00 N ATOM 0 H GLN A 8 70.991 3.715 -13.764 1.00 0.00 H new ATOM 0 HA GLN A 8 73.076 5.649 -13.389 1.00 0.00 H new ATOM 0 HB2 GLN A 8 70.913 5.040 -15.275 1.00 0.00 H new ATOM 0 HB3 GLN A 8 71.028 6.767 -15.004 1.00 0.00 H new ATOM 0 HG2 GLN A 8 73.536 6.613 -15.417 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.331 4.918 -15.812 1.00 0.00 H new ATOM 0 HE21 GLN A 8 74.301 6.814 -17.752 1.00 0.00 H new ATOM 0 HE22 GLN A 8 73.076 6.975 -19.015 1.00 0.00 H new ATOM 141 N LYS A 9 70.072 6.448 -12.283 1.00 0.00 N ATOM 142 CA LYS A 9 69.370 7.428 -11.411 1.00 0.00 C ATOM 143 C LYS A 9 69.957 7.381 -9.999 1.00 0.00 C ATOM 144 O LYS A 9 69.710 8.248 -9.185 1.00 0.00 O ATOM 145 CB LYS A 9 67.881 7.081 -11.355 1.00 0.00 C ATOM 146 CG LYS A 9 67.056 8.291 -11.800 1.00 0.00 C ATOM 147 CD LYS A 9 65.568 7.993 -11.606 1.00 0.00 C ATOM 148 CE LYS A 9 64.833 9.283 -11.238 1.00 0.00 C ATOM 149 NZ LYS A 9 64.216 9.868 -12.462 1.00 0.00 N ATOM 0 H LYS A 9 69.498 5.673 -12.614 1.00 0.00 H new ATOM 0 HA LYS A 9 69.499 8.430 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.671 6.228 -12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.603 6.791 -10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.340 9.171 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.259 8.518 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 9 65.149 7.571 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.435 7.249 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 9 64.064 9.077 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.527 9.995 -10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 63.716 10.745 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.959 10.079 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 63.542 9.189 -12.869 1.00 0.00 H new ATOM 163 N VAL A 10 70.725 6.370 -9.698 1.00 0.00 N ATOM 164 CA VAL A 10 71.318 6.263 -8.339 1.00 0.00 C ATOM 165 C VAL A 10 72.562 7.145 -8.234 1.00 0.00 C ATOM 166 O VAL A 10 72.727 7.895 -7.293 1.00 0.00 O ATOM 167 CB VAL A 10 71.699 4.808 -8.063 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.165 4.667 -6.613 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.481 3.910 -8.295 1.00 0.00 C ATOM 0 H VAL A 10 70.967 5.613 -10.337 1.00 0.00 H new ATOM 0 HA VAL A 10 70.585 6.597 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 10 72.505 4.511 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 10 72.436 3.630 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.032 5.307 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.360 4.964 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 10 70.751 2.872 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 10 69.676 4.209 -7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.148 4.009 -9.328 1.00 0.00 H new ATOM 179 N ILE A 11 73.446 7.052 -9.186 1.00 0.00 N ATOM 180 CA ILE A 11 74.684 7.873 -9.135 1.00 0.00 C ATOM 181 C ILE A 11 74.358 9.316 -9.485 1.00 0.00 C ATOM 182 O ILE A 11 74.782 10.247 -8.836 1.00 0.00 O ATOM 183 CB ILE A 11 75.728 7.305 -10.109 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.662 7.957 -11.505 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.530 5.797 -10.246 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.513 7.360 -12.309 1.00 0.00 C ATOM 0 H ILE A 11 73.364 6.441 -9.999 1.00 0.00 H new ATOM 0 HA ILE A 11 75.097 7.842 -8.127 1.00 0.00 H new ATOM 0 HB ILE A 11 76.710 7.530 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.525 9.034 -11.406 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.604 7.802 -12.032 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.271 5.394 -10.937 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.648 5.324 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.529 5.595 -10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.476 7.828 -13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 11 74.668 6.287 -12.423 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.573 7.538 -11.787 1.00 0.00 H new ATOM 198 N GLN A 12 73.611 9.487 -10.523 1.00 0.00 N ATOM 199 CA GLN A 12 73.224 10.862 -10.968 1.00 0.00 C ATOM 200 C GLN A 12 72.960 11.713 -9.729 1.00 0.00 C ATOM 201 O GLN A 12 73.256 12.891 -9.686 1.00 0.00 O ATOM 202 CB GLN A 12 71.962 10.794 -11.835 1.00 0.00 C ATOM 203 CG GLN A 12 70.735 10.520 -10.958 1.00 0.00 C ATOM 204 CD GLN A 12 69.464 10.749 -11.777 1.00 0.00 C ATOM 205 OE1 GLN A 12 69.359 10.294 -12.900 1.00 0.00 O ATOM 206 NE2 GLN A 12 68.485 11.440 -11.260 1.00 0.00 N ATOM 0 H GLN A 12 73.241 8.730 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 12 74.026 11.303 -11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.831 11.732 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 12 72.067 10.008 -12.583 1.00 0.00 H new ATOM 0 HG2 GLN A 12 70.762 9.496 -10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 12 70.743 11.176 -10.087 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.572 11.822 -10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 12 67.633 11.598 -11.798 1.00 0.00 H new ATOM 215 N GLU A 13 72.430 11.099 -8.710 1.00 0.00 N ATOM 216 CA GLU A 13 72.167 11.828 -7.448 1.00 0.00 C ATOM 217 C GLU A 13 73.398 11.695 -6.550 1.00 0.00 C ATOM 218 O GLU A 13 73.788 12.619 -5.864 1.00 0.00 O ATOM 219 CB GLU A 13 70.947 11.225 -6.748 1.00 0.00 C ATOM 220 CG GLU A 13 69.675 11.643 -7.490 1.00 0.00 C ATOM 221 CD GLU A 13 69.100 12.906 -6.847 1.00 0.00 C ATOM 222 OE1 GLU A 13 69.882 13.712 -6.369 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.888 13.045 -6.843 1.00 0.00 O ATOM 0 H GLU A 13 72.167 10.114 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 13 71.967 12.879 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 13 71.027 10.138 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.905 11.563 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.898 11.827 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.941 10.838 -7.456 1.00 0.00 H new ATOM 230 N PHE A 14 74.014 10.543 -6.560 1.00 0.00 N ATOM 231 CA PHE A 14 75.218 10.323 -5.727 1.00 0.00 C ATOM 232 C PHE A 14 76.468 10.718 -6.516 1.00 0.00 C ATOM 233 O PHE A 14 77.138 11.680 -6.197 1.00 0.00 O ATOM 234 CB PHE A 14 75.303 8.845 -5.346 1.00 0.00 C ATOM 235 CG PHE A 14 74.330 8.556 -4.227 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.953 8.640 -4.459 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.807 8.203 -2.959 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.051 8.373 -3.422 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.906 7.935 -1.922 1.00 0.00 C ATOM 240 CZ PHE A 14 72.527 8.021 -2.154 1.00 0.00 C ATOM 0 H PHE A 14 73.726 9.740 -7.118 1.00 0.00 H new ATOM 0 HA PHE A 14 75.153 10.932 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.075 8.222 -6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.317 8.597 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.586 8.911 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.870 8.137 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.988 8.439 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 14 74.273 7.662 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.831 7.816 -1.354 1.00 0.00 H new ATOM 250 N ALA A 15 76.788 9.980 -7.545 1.00 0.00 N ATOM 251 CA ALA A 15 77.990 10.308 -8.352 1.00 0.00 C ATOM 252 C ALA A 15 77.751 11.591 -9.145 1.00 0.00 C ATOM 253 O ALA A 15 76.790 11.707 -9.879 1.00 0.00 O ATOM 254 CB ALA A 15 78.272 9.170 -9.330 1.00 0.00 C ATOM 0 H ALA A 15 76.265 9.163 -7.859 1.00 0.00 H new ATOM 0 HA ALA A 15 78.839 10.445 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.155 9.410 -9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.447 8.248 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.416 9.038 -9.991 1.00 0.00 H new ATOM 260 N ARG A 16 78.626 12.547 -9.022 1.00 0.00 N ATOM 261 CA ARG A 16 78.451 13.807 -9.791 1.00 0.00 C ATOM 262 C ARG A 16 79.263 13.702 -11.076 1.00 0.00 C ATOM 263 O ARG A 16 79.726 14.684 -11.622 1.00 0.00 O ATOM 264 CB ARG A 16 78.939 14.997 -8.961 1.00 0.00 C ATOM 265 CG ARG A 16 80.278 14.648 -8.309 1.00 0.00 C ATOM 266 CD ARG A 16 80.043 14.203 -6.865 1.00 0.00 C ATOM 267 NE ARG A 16 79.673 15.384 -6.035 1.00 0.00 N ATOM 268 CZ ARG A 16 80.577 16.270 -5.721 1.00 0.00 C ATOM 269 NH1 ARG A 16 81.662 15.902 -5.097 1.00 0.00 N ATOM 270 NH2 ARG A 16 80.396 17.525 -6.029 1.00 0.00 N ATOM 0 H ARG A 16 79.452 12.511 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 16 77.397 13.958 -10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 16 79.050 15.876 -9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 16 78.204 15.247 -8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.771 13.854 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.941 15.513 -8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 16 79.250 13.456 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.942 13.733 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 16 78.712 15.499 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.803 14.921 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 16 82.369 16.595 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 16 79.547 17.813 -6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 16 81.103 18.218 -5.783 1.00 0.00 H new ATOM 284 N PHE A 17 79.439 12.505 -11.554 1.00 0.00 N ATOM 285 CA PHE A 17 80.223 12.297 -12.799 1.00 0.00 C ATOM 286 C PHE A 17 80.082 10.839 -13.229 1.00 0.00 C ATOM 287 O PHE A 17 79.589 10.021 -12.478 1.00 0.00 O ATOM 288 CB PHE A 17 81.696 12.611 -12.519 1.00 0.00 C ATOM 289 CG PHE A 17 81.999 14.035 -12.920 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.510 14.545 -14.129 1.00 0.00 C ATOM 291 CD2 PHE A 17 82.770 14.848 -12.081 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.792 15.865 -14.498 1.00 0.00 C ATOM 293 CE2 PHE A 17 83.052 16.169 -12.450 1.00 0.00 C ATOM 294 CZ PHE A 17 82.563 16.678 -13.659 1.00 0.00 C ATOM 0 H PHE A 17 79.069 11.654 -11.131 1.00 0.00 H new ATOM 0 HA PHE A 17 79.857 12.951 -13.591 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.913 12.467 -11.461 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.336 11.923 -13.072 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.915 13.919 -14.777 1.00 0.00 H new ATOM 0 HD2 PHE A 17 83.148 14.456 -11.148 1.00 0.00 H new ATOM 0 HE1 PHE A 17 81.414 16.257 -15.431 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.647 16.795 -11.802 1.00 0.00 H new ATOM 0 HZ PHE A 17 82.780 17.697 -13.944 1.00 0.00 H new ATOM 304 N PRO A 18 80.531 10.550 -14.420 1.00 0.00 N ATOM 305 CA PRO A 18 80.480 9.186 -14.967 1.00 0.00 C ATOM 306 C PRO A 18 81.538 8.311 -14.291 1.00 0.00 C ATOM 307 O PRO A 18 81.678 7.142 -14.590 1.00 0.00 O ATOM 308 CB PRO A 18 80.774 9.385 -16.458 1.00 0.00 C ATOM 309 CG PRO A 18 81.506 10.741 -16.579 1.00 0.00 C ATOM 310 CD PRO A 18 81.135 11.550 -15.324 1.00 0.00 C ATOM 0 HA PRO A 18 79.528 8.682 -14.802 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.392 8.574 -16.844 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.852 9.388 -17.039 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.584 10.596 -16.642 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.202 11.267 -17.484 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.013 12.015 -14.875 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.434 12.351 -15.558 1.00 0.00 H new ATOM 318 N GLY A 19 82.278 8.871 -13.369 1.00 0.00 N ATOM 319 CA GLY A 19 83.319 8.079 -12.659 1.00 0.00 C ATOM 320 C GLY A 19 83.162 8.269 -11.147 1.00 0.00 C ATOM 321 O GLY A 19 83.872 7.672 -10.364 1.00 0.00 O ATOM 0 H GLY A 19 82.204 9.846 -13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.226 7.024 -12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.312 8.398 -12.975 1.00 0.00 H new ATOM 325 N ASP A 20 82.237 9.096 -10.724 1.00 0.00 N ATOM 326 CA ASP A 20 82.048 9.311 -9.266 1.00 0.00 C ATOM 327 C ASP A 20 81.022 8.319 -8.731 1.00 0.00 C ATOM 328 O ASP A 20 80.452 8.494 -7.673 1.00 0.00 O ATOM 329 CB ASP A 20 81.576 10.743 -9.004 1.00 0.00 C ATOM 330 CG ASP A 20 82.548 11.434 -8.048 1.00 0.00 C ATOM 331 OD1 ASP A 20 83.729 11.461 -8.352 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.095 11.926 -7.027 1.00 0.00 O ATOM 0 H ASP A 20 81.609 9.627 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 20 82.998 9.155 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.518 11.295 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.573 10.734 -8.576 1.00 0.00 H new ATOM 337 N THR A 21 80.806 7.273 -9.458 1.00 0.00 N ATOM 338 CA THR A 21 79.836 6.230 -9.022 1.00 0.00 C ATOM 339 C THR A 21 80.600 5.144 -8.271 1.00 0.00 C ATOM 340 O THR A 21 80.042 4.400 -7.489 1.00 0.00 O ATOM 341 CB THR A 21 79.144 5.622 -10.245 1.00 0.00 C ATOM 342 OG1 THR A 21 79.909 4.524 -10.723 1.00 0.00 O ATOM 343 CG2 THR A 21 79.019 6.678 -11.343 1.00 0.00 C ATOM 0 H THR A 21 81.263 7.087 -10.350 1.00 0.00 H new ATOM 0 HA THR A 21 79.079 6.672 -8.374 1.00 0.00 H new ATOM 0 HB THR A 21 78.149 5.277 -9.965 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.466 4.133 -11.505 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.526 6.243 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.430 7.518 -10.975 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.012 7.028 -11.626 1.00 0.00 H new ATOM 351 N GLY A 22 81.881 5.062 -8.494 1.00 0.00 N ATOM 352 CA GLY A 22 82.698 4.043 -7.785 1.00 0.00 C ATOM 353 C GLY A 22 83.254 4.664 -6.505 1.00 0.00 C ATOM 354 O GLY A 22 83.823 3.990 -5.669 1.00 0.00 O ATOM 0 H GLY A 22 82.398 5.659 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.090 3.170 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.512 3.701 -8.424 1.00 0.00 H new ATOM 358 N SER A 23 83.092 5.952 -6.345 1.00 0.00 N ATOM 359 CA SER A 23 83.609 6.620 -5.117 1.00 0.00 C ATOM 360 C SER A 23 83.160 5.834 -3.884 1.00 0.00 C ATOM 361 O SER A 23 82.424 4.872 -3.985 1.00 0.00 O ATOM 362 CB SER A 23 83.057 8.045 -5.042 1.00 0.00 C ATOM 363 OG SER A 23 83.215 8.541 -3.719 1.00 0.00 O ATOM 0 H SER A 23 82.625 6.568 -7.011 1.00 0.00 H new ATOM 0 HA SER A 23 84.698 6.653 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.581 8.688 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.004 8.055 -5.323 1.00 0.00 H new ATOM 0 HG SER A 23 82.864 9.455 -3.668 1.00 0.00 H new ATOM 369 N THR A 24 83.596 6.232 -2.721 1.00 0.00 N ATOM 370 CA THR A 24 83.191 5.503 -1.486 1.00 0.00 C ATOM 371 C THR A 24 81.771 5.910 -1.094 1.00 0.00 C ATOM 372 O THR A 24 81.032 5.139 -0.517 1.00 0.00 O ATOM 373 CB THR A 24 84.151 5.849 -0.346 1.00 0.00 C ATOM 374 OG1 THR A 24 85.412 5.242 -0.589 1.00 0.00 O ATOM 375 CG2 THR A 24 83.578 5.333 0.974 1.00 0.00 C ATOM 0 H THR A 24 84.214 7.029 -2.572 1.00 0.00 H new ATOM 0 HA THR A 24 83.224 4.430 -1.675 1.00 0.00 H new ATOM 0 HB THR A 24 84.276 6.930 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 24 86.028 5.465 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.261 5.578 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.611 5.800 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.454 4.252 0.919 1.00 0.00 H new ATOM 383 N GLU A 25 81.381 7.117 -1.402 1.00 0.00 N ATOM 384 CA GLU A 25 80.009 7.571 -1.045 1.00 0.00 C ATOM 385 C GLU A 25 78.990 6.799 -1.883 1.00 0.00 C ATOM 386 O GLU A 25 78.164 6.074 -1.365 1.00 0.00 O ATOM 387 CB GLU A 25 79.882 9.066 -1.339 1.00 0.00 C ATOM 388 CG GLU A 25 80.400 9.866 -0.144 1.00 0.00 C ATOM 389 CD GLU A 25 79.915 11.312 -0.248 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.329 11.650 -1.263 1.00 0.00 O ATOM 391 OE2 GLU A 25 80.137 12.060 0.691 1.00 0.00 O ATOM 0 H GLU A 25 81.954 7.808 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 25 79.823 7.390 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.449 9.321 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.841 9.321 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.048 9.419 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.489 9.838 -0.119 1.00 0.00 H new ATOM 398 N VAL A 26 79.047 6.948 -3.176 1.00 0.00 N ATOM 399 CA VAL A 26 78.090 6.224 -4.056 1.00 0.00 C ATOM 400 C VAL A 26 78.053 4.751 -3.651 1.00 0.00 C ATOM 401 O VAL A 26 77.033 4.098 -3.742 1.00 0.00 O ATOM 402 CB VAL A 26 78.547 6.345 -5.510 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.474 5.764 -6.434 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.767 7.820 -5.852 1.00 0.00 C ATOM 0 H VAL A 26 79.718 7.542 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 26 77.095 6.656 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 26 79.479 5.795 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.801 5.851 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.314 4.714 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.542 6.313 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 26 79.093 7.909 -6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.834 8.368 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.531 8.236 -5.195 1.00 0.00 H new ATOM 414 N GLN A 27 79.159 4.223 -3.199 1.00 0.00 N ATOM 415 CA GLN A 27 79.179 2.797 -2.787 1.00 0.00 C ATOM 416 C GLN A 27 78.343 2.634 -1.523 1.00 0.00 C ATOM 417 O GLN A 27 77.533 1.738 -1.419 1.00 0.00 O ATOM 418 CB GLN A 27 80.619 2.356 -2.517 1.00 0.00 C ATOM 419 CG GLN A 27 81.269 1.906 -3.826 1.00 0.00 C ATOM 420 CD GLN A 27 82.489 1.036 -3.518 1.00 0.00 C ATOM 421 OE1 GLN A 27 82.863 0.877 -2.373 1.00 0.00 O ATOM 422 NE2 GLN A 27 83.130 0.463 -4.500 1.00 0.00 N ATOM 0 H GLN A 27 80.045 4.719 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 27 78.764 2.179 -3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.186 3.178 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.631 1.541 -1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.552 1.346 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.567 2.774 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.816 0.597 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.945 -0.119 -4.306 1.00 0.00 H new ATOM 431 N VAL A 28 78.513 3.502 -0.567 1.00 0.00 N ATOM 432 CA VAL A 28 77.699 3.391 0.670 1.00 0.00 C ATOM 433 C VAL A 28 76.241 3.208 0.253 1.00 0.00 C ATOM 434 O VAL A 28 75.486 2.506 0.888 1.00 0.00 O ATOM 435 CB VAL A 28 77.856 4.670 1.499 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.794 4.717 2.599 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.248 4.692 2.136 1.00 0.00 C ATOM 0 H VAL A 28 79.175 4.277 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 28 78.025 2.545 1.275 1.00 0.00 H new ATOM 0 HB VAL A 28 77.733 5.535 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.914 5.630 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.802 4.703 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.908 3.852 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.363 5.601 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.366 3.822 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.007 4.669 1.354 1.00 0.00 H new ATOM 447 N ALA A 29 75.843 3.818 -0.831 1.00 0.00 N ATOM 448 CA ALA A 29 74.442 3.646 -1.288 1.00 0.00 C ATOM 449 C ALA A 29 74.261 2.200 -1.737 1.00 0.00 C ATOM 450 O ALA A 29 73.290 1.551 -1.401 1.00 0.00 O ATOM 451 CB ALA A 29 74.152 4.592 -2.453 1.00 0.00 C ATOM 0 H ALA A 29 76.424 4.422 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 29 73.752 3.877 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.121 4.459 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.300 5.623 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.828 4.370 -3.279 1.00 0.00 H new ATOM 457 N LEU A 30 75.199 1.681 -2.482 1.00 0.00 N ATOM 458 CA LEU A 30 75.085 0.273 -2.928 1.00 0.00 C ATOM 459 C LEU A 30 75.193 -0.635 -1.698 1.00 0.00 C ATOM 460 O LEU A 30 74.891 -1.811 -1.750 1.00 0.00 O ATOM 461 CB LEU A 30 76.204 -0.040 -3.938 1.00 0.00 C ATOM 462 CG LEU A 30 77.454 -0.567 -3.221 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.415 -2.095 -3.188 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.705 -0.107 -3.973 1.00 0.00 C ATOM 0 H LEU A 30 76.035 2.173 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 30 74.127 0.103 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.854 -0.779 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.454 0.859 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 30 77.479 -0.181 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.303 -2.471 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.524 -2.425 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.391 -2.480 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.593 -0.481 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.680 -0.494 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.734 0.982 -4.000 1.00 0.00 H new ATOM 476 N LEU A 31 75.624 -0.091 -0.588 1.00 0.00 N ATOM 477 CA LEU A 31 75.755 -0.908 0.641 1.00 0.00 C ATOM 478 C LEU A 31 74.345 -1.251 1.127 1.00 0.00 C ATOM 479 O LEU A 31 74.104 -2.290 1.705 1.00 0.00 O ATOM 480 CB LEU A 31 76.526 -0.105 1.711 1.00 0.00 C ATOM 481 CG LEU A 31 75.552 0.637 2.626 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.083 -0.302 3.739 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.241 1.852 3.247 1.00 0.00 C ATOM 0 H LEU A 31 75.890 0.888 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 31 76.308 -1.826 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.148 -0.778 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.195 0.607 1.228 1.00 0.00 H new ATOM 0 HG LEU A 31 74.696 0.970 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.388 0.226 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.583 -1.165 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.943 -0.637 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.540 2.375 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.101 1.524 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.574 2.525 2.457 1.00 0.00 H new ATOM 495 N THR A 32 73.416 -0.365 0.888 1.00 0.00 N ATOM 496 CA THR A 32 72.015 -0.598 1.323 1.00 0.00 C ATOM 497 C THR A 32 71.376 -1.660 0.420 1.00 0.00 C ATOM 498 O THR A 32 70.674 -2.540 0.878 1.00 0.00 O ATOM 499 CB THR A 32 71.244 0.734 1.239 1.00 0.00 C ATOM 500 OG1 THR A 32 70.294 0.794 2.293 1.00 0.00 O ATOM 501 CG2 THR A 32 70.520 0.864 -0.105 1.00 0.00 C ATOM 0 H THR A 32 73.573 0.519 0.404 1.00 0.00 H new ATOM 0 HA THR A 32 71.986 -0.959 2.351 1.00 0.00 H new ATOM 0 HB THR A 32 71.957 1.554 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.803 1.641 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.984 1.812 -0.139 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.248 0.830 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.812 0.043 -0.218 1.00 0.00 H new ATOM 509 N LEU A 33 71.615 -1.578 -0.859 1.00 0.00 N ATOM 510 CA LEU A 33 71.025 -2.577 -1.791 1.00 0.00 C ATOM 511 C LEU A 33 71.523 -3.977 -1.423 1.00 0.00 C ATOM 512 O LEU A 33 70.745 -4.888 -1.215 1.00 0.00 O ATOM 513 CB LEU A 33 71.445 -2.249 -3.225 1.00 0.00 C ATOM 514 CG LEU A 33 70.210 -2.233 -4.127 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.536 -3.606 -4.096 1.00 0.00 C ATOM 516 CD2 LEU A 33 69.227 -1.173 -3.624 1.00 0.00 C ATOM 0 H LEU A 33 72.193 -0.862 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 33 69.938 -2.546 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.944 -1.281 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.161 -2.988 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 33 70.510 -1.999 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.656 -3.594 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.235 -4.363 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.236 -3.841 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.346 -1.160 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.929 -1.409 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.706 -0.194 -3.645 1.00 0.00 H new ATOM 528 N ARG A 34 72.813 -4.158 -1.346 1.00 0.00 N ATOM 529 CA ARG A 34 73.359 -5.500 -0.997 1.00 0.00 C ATOM 530 C ARG A 34 72.780 -5.957 0.343 1.00 0.00 C ATOM 531 O ARG A 34 72.805 -7.125 0.672 1.00 0.00 O ATOM 532 CB ARG A 34 74.883 -5.422 -0.897 1.00 0.00 C ATOM 533 CG ARG A 34 75.511 -6.197 -2.057 1.00 0.00 C ATOM 534 CD ARG A 34 76.885 -5.608 -2.383 1.00 0.00 C ATOM 535 NE ARG A 34 77.191 -5.830 -3.824 1.00 0.00 N ATOM 536 CZ ARG A 34 76.976 -6.998 -4.365 1.00 0.00 C ATOM 537 NH1 ARG A 34 77.816 -7.975 -4.163 1.00 0.00 N ATOM 538 NH2 ARG A 34 75.921 -7.188 -5.109 1.00 0.00 N ATOM 0 H ARG A 34 73.513 -3.434 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 34 73.083 -6.215 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.207 -4.382 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.217 -5.836 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.609 -7.250 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.865 -6.146 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.898 -4.542 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.649 -6.075 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 34 77.569 -5.069 -4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.641 -7.826 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.648 -8.888 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 34 75.264 -6.424 -5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.753 -8.101 -5.532 1.00 0.00 H new ATOM 552 N ILE A 35 72.256 -5.046 1.118 1.00 0.00 N ATOM 553 CA ILE A 35 71.675 -5.422 2.427 1.00 0.00 C ATOM 554 C ILE A 35 70.361 -6.169 2.184 1.00 0.00 C ATOM 555 O ILE A 35 70.134 -7.244 2.699 1.00 0.00 O ATOM 556 CB ILE A 35 71.441 -4.128 3.228 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.404 -4.085 4.414 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.001 -4.040 3.740 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.672 -3.342 4.002 1.00 0.00 C ATOM 0 H ILE A 35 72.208 -4.052 0.894 1.00 0.00 H new ATOM 0 HA ILE A 35 72.341 -6.076 2.990 1.00 0.00 H new ATOM 0 HB ILE A 35 71.619 -3.281 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.934 -3.586 5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.649 -5.097 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.870 -3.115 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.313 -4.052 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.793 -4.890 4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.363 -3.308 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.143 -3.861 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.417 -2.326 3.701 1.00 0.00 H new ATOM 571 N ASN A 36 69.495 -5.582 1.409 1.00 0.00 N ATOM 572 CA ASN A 36 68.183 -6.226 1.121 1.00 0.00 C ATOM 573 C ASN A 36 68.397 -7.567 0.415 1.00 0.00 C ATOM 574 O ASN A 36 67.698 -8.527 0.670 1.00 0.00 O ATOM 575 CB ASN A 36 67.352 -5.306 0.224 1.00 0.00 C ATOM 576 CG ASN A 36 67.061 -3.998 0.962 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.874 -3.993 2.163 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.013 -2.880 0.291 1.00 0.00 N ATOM 0 H ASN A 36 69.640 -4.678 0.959 1.00 0.00 H new ATOM 0 HA ASN A 36 67.658 -6.399 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.889 -5.101 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.418 -5.796 -0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.819 -2.003 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.170 -2.883 -0.717 1.00 0.00 H new ATOM 585 N ARG A 37 69.350 -7.646 -0.476 1.00 0.00 N ATOM 586 CA ARG A 37 69.586 -8.930 -1.190 1.00 0.00 C ATOM 587 C ARG A 37 70.475 -9.842 -0.353 1.00 0.00 C ATOM 588 O ARG A 37 70.941 -10.870 -0.802 1.00 0.00 O ATOM 589 CB ARG A 37 70.252 -8.658 -2.538 1.00 0.00 C ATOM 590 CG ARG A 37 69.479 -9.374 -3.647 1.00 0.00 C ATOM 591 CD ARG A 37 70.417 -9.662 -4.820 1.00 0.00 C ATOM 592 NE ARG A 37 69.615 -9.862 -6.060 1.00 0.00 N ATOM 593 CZ ARG A 37 69.401 -11.068 -6.510 1.00 0.00 C ATOM 594 NH1 ARG A 37 68.624 -11.882 -5.849 1.00 0.00 N ATOM 595 NH2 ARG A 37 69.962 -11.459 -7.622 1.00 0.00 N ATOM 0 H ARG A 37 69.971 -6.880 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 37 68.628 -9.423 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 37 70.277 -7.586 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 37 71.286 -9.003 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 37 69.057 -10.305 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 37 68.644 -8.757 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 37 71.114 -8.834 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 37 71.014 -10.550 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 37 69.234 -9.057 -6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.184 -11.575 -4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 37 68.456 -12.825 -6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 37 70.568 -10.822 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 37 69.795 -12.402 -7.974 1.00 0.00 H new ATOM 609 N LEU A 38 70.695 -9.471 0.862 1.00 0.00 N ATOM 610 CA LEU A 38 71.534 -10.293 1.768 1.00 0.00 C ATOM 611 C LEU A 38 70.639 -11.264 2.535 1.00 0.00 C ATOM 612 O LEU A 38 70.992 -12.403 2.773 1.00 0.00 O ATOM 613 CB LEU A 38 72.266 -9.383 2.756 1.00 0.00 C ATOM 614 CG LEU A 38 73.491 -10.111 3.309 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.041 -11.318 4.132 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.367 -10.586 2.146 1.00 0.00 C ATOM 0 H LEU A 38 70.324 -8.617 1.279 1.00 0.00 H new ATOM 0 HA LEU A 38 72.266 -10.851 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.571 -8.461 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.599 -9.102 3.571 1.00 0.00 H new ATOM 0 HG LEU A 38 74.061 -9.432 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 38 73.915 -11.836 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.416 -10.982 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.471 -11.998 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.241 -11.106 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.795 -11.265 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.689 -9.726 1.558 1.00 0.00 H new ATOM 628 N SER A 39 69.479 -10.815 2.928 1.00 0.00 N ATOM 629 CA SER A 39 68.548 -11.696 3.686 1.00 0.00 C ATOM 630 C SER A 39 67.944 -12.740 2.744 1.00 0.00 C ATOM 631 O SER A 39 67.584 -13.826 3.154 1.00 0.00 O ATOM 632 CB SER A 39 67.431 -10.845 4.289 1.00 0.00 C ATOM 633 OG SER A 39 66.519 -11.687 4.982 1.00 0.00 O ATOM 0 H SER A 39 69.135 -9.871 2.755 1.00 0.00 H new ATOM 0 HA SER A 39 69.093 -12.204 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.850 -10.105 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.912 -10.297 3.503 1.00 0.00 H new ATOM 0 HG SER A 39 65.803 -11.143 5.371 1.00 0.00 H new ATOM 639 N GLU A 40 67.825 -12.419 1.484 1.00 0.00 N ATOM 640 CA GLU A 40 67.242 -13.389 0.521 1.00 0.00 C ATOM 641 C GLU A 40 68.349 -14.230 -0.097 1.00 0.00 C ATOM 642 O GLU A 40 68.198 -14.814 -1.151 1.00 0.00 O ATOM 643 CB GLU A 40 66.509 -12.632 -0.578 1.00 0.00 C ATOM 644 CG GLU A 40 65.001 -12.699 -0.333 1.00 0.00 C ATOM 645 CD GLU A 40 64.515 -14.137 -0.516 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.722 -14.679 -1.590 1.00 0.00 O ATOM 647 OE2 GLU A 40 63.944 -14.673 0.419 1.00 0.00 O ATOM 0 H GLU A 40 68.108 -11.525 1.082 1.00 0.00 H new ATOM 0 HA GLU A 40 66.544 -14.042 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.838 -11.593 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.749 -13.062 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.770 -12.352 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.480 -12.038 -1.025 1.00 0.00 H new ATOM 654 N HIS A 41 69.456 -14.287 0.560 1.00 0.00 N ATOM 655 CA HIS A 41 70.602 -15.080 0.044 1.00 0.00 C ATOM 656 C HIS A 41 70.368 -16.563 0.329 1.00 0.00 C ATOM 657 O HIS A 41 70.043 -17.332 -0.553 1.00 0.00 O ATOM 658 CB HIS A 41 71.891 -14.624 0.732 1.00 0.00 C ATOM 659 CG HIS A 41 72.978 -14.468 -0.294 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.772 -13.806 -1.495 1.00 0.00 N ATOM 661 CD2 HIS A 41 74.287 -14.884 -0.316 1.00 0.00 C ATOM 662 CE1 HIS A 41 73.929 -13.843 -2.182 1.00 0.00 C ATOM 663 NE2 HIS A 41 74.885 -14.488 -1.509 1.00 0.00 N ATOM 0 H HIS A 41 69.626 -13.813 1.447 1.00 0.00 H new ATOM 0 HA HIS A 41 70.692 -14.928 -1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 41 71.725 -13.679 1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.190 -15.351 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 41 74.778 -15.435 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.067 -13.404 -3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 41 75.847 -14.655 -1.805 1.00 0.00 H new ATOM 671 N LEU A 42 70.535 -16.970 1.556 1.00 0.00 N ATOM 672 CA LEU A 42 70.328 -18.397 1.911 1.00 0.00 C ATOM 673 C LEU A 42 68.838 -18.741 1.826 1.00 0.00 C ATOM 674 O LEU A 42 68.444 -19.879 1.990 1.00 0.00 O ATOM 675 CB LEU A 42 70.819 -18.629 3.338 1.00 0.00 C ATOM 676 CG LEU A 42 72.346 -18.712 3.348 1.00 0.00 C ATOM 677 CD1 LEU A 42 72.891 -17.967 4.568 1.00 0.00 C ATOM 678 CD2 LEU A 42 72.776 -20.179 3.415 1.00 0.00 C ATOM 0 H LEU A 42 70.808 -16.368 2.333 1.00 0.00 H new ATOM 0 HA LEU A 42 70.882 -19.030 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 70.485 -17.818 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 42 70.392 -19.550 3.735 1.00 0.00 H new ATOM 0 HG LEU A 42 72.739 -18.257 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.979 -18.027 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.585 -16.922 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.497 -18.421 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 73.864 -20.239 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.381 -20.633 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.389 -20.712 2.546 1.00 0.00 H new ATOM 690 N LYS A 43 68.004 -17.766 1.571 1.00 0.00 N ATOM 691 CA LYS A 43 66.542 -18.035 1.475 1.00 0.00 C ATOM 692 C LYS A 43 66.187 -18.510 0.068 1.00 0.00 C ATOM 693 O LYS A 43 65.045 -18.498 -0.345 1.00 0.00 O ATOM 694 CB LYS A 43 65.768 -16.759 1.788 1.00 0.00 C ATOM 695 CG LYS A 43 65.048 -16.909 3.129 1.00 0.00 C ATOM 696 CD LYS A 43 63.576 -16.530 2.963 1.00 0.00 C ATOM 697 CE LYS A 43 62.750 -17.196 4.066 1.00 0.00 C ATOM 698 NZ LYS A 43 63.307 -16.823 5.397 1.00 0.00 N ATOM 0 H LYS A 43 68.275 -16.794 1.425 1.00 0.00 H new ATOM 0 HA LYS A 43 66.277 -18.812 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 43 66.449 -15.908 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 43 65.046 -16.557 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 43 65.132 -17.935 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.516 -16.271 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 43 63.461 -15.447 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 43 63.216 -16.846 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 43 61.708 -16.883 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.766 -18.279 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 62.591 -16.992 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 64.149 -17.400 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 63.570 -15.817 5.394 1.00 0.00 H new ATOM 712 N VAL A 44 67.168 -18.932 -0.653 1.00 0.00 N ATOM 713 CA VAL A 44 66.954 -19.426 -2.035 1.00 0.00 C ATOM 714 C VAL A 44 68.145 -20.305 -2.417 1.00 0.00 C ATOM 715 O VAL A 44 68.002 -21.337 -3.042 1.00 0.00 O ATOM 716 CB VAL A 44 66.865 -18.236 -2.988 1.00 0.00 C ATOM 717 CG1 VAL A 44 66.992 -18.724 -4.432 1.00 0.00 C ATOM 718 CG2 VAL A 44 65.518 -17.535 -2.802 1.00 0.00 C ATOM 0 H VAL A 44 68.138 -18.958 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 44 66.030 -20.000 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 44 67.673 -17.537 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 44 66.928 -17.873 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 44 67.952 -19.223 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.186 -19.424 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.453 -16.685 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.711 -18.235 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.429 -17.185 -1.774 1.00 0.00 H new ATOM 728 N HIS A 45 69.323 -19.899 -2.026 1.00 0.00 N ATOM 729 CA HIS A 45 70.542 -20.692 -2.334 1.00 0.00 C ATOM 730 C HIS A 45 70.272 -22.175 -2.070 1.00 0.00 C ATOM 731 O HIS A 45 70.082 -22.591 -0.944 1.00 0.00 O ATOM 732 CB HIS A 45 71.679 -20.205 -1.434 1.00 0.00 C ATOM 733 CG HIS A 45 72.438 -19.110 -2.130 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.820 -17.953 -2.581 1.00 0.00 N ATOM 735 CD2 HIS A 45 73.764 -18.980 -2.461 1.00 0.00 C ATOM 736 CE1 HIS A 45 72.766 -17.185 -3.153 1.00 0.00 C ATOM 737 NE2 HIS A 45 73.969 -17.764 -3.106 1.00 0.00 N ATOM 0 H HIS A 45 69.492 -19.041 -1.500 1.00 0.00 H new ATOM 0 HA HIS A 45 70.816 -20.565 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 45 71.277 -19.839 -0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 45 72.349 -21.032 -1.197 1.00 0.00 H new ATOM 0 HD1 HIS A 45 70.829 -17.726 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 45 74.532 -19.711 -2.252 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.576 -16.219 -3.596 1.00 0.00 H new ATOM 745 N LYS A 46 70.253 -22.977 -3.099 1.00 0.00 N ATOM 746 CA LYS A 46 69.995 -24.428 -2.911 1.00 0.00 C ATOM 747 C LYS A 46 71.279 -25.125 -2.450 1.00 0.00 C ATOM 748 O LYS A 46 71.334 -26.333 -2.341 1.00 0.00 O ATOM 749 CB LYS A 46 69.530 -25.040 -4.233 1.00 0.00 C ATOM 750 CG LYS A 46 70.704 -25.099 -5.212 1.00 0.00 C ATOM 751 CD LYS A 46 70.199 -25.521 -6.592 1.00 0.00 C ATOM 752 CE LYS A 46 70.466 -27.013 -6.800 1.00 0.00 C ATOM 753 NZ LYS A 46 69.768 -27.475 -8.032 1.00 0.00 N ATOM 0 H LYS A 46 70.406 -22.686 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 46 69.220 -24.561 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 46 69.135 -26.041 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 46 68.720 -24.445 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.189 -24.125 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 46 71.453 -25.806 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 46 69.132 -25.316 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.699 -24.940 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.538 -27.193 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.117 -27.580 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.949 -28.489 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.745 -27.317 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.122 -26.942 -8.852 1.00 0.00 H new ATOM 767 N LYS A 47 72.312 -24.374 -2.179 1.00 0.00 N ATOM 768 CA LYS A 47 73.585 -24.996 -1.726 1.00 0.00 C ATOM 769 C LYS A 47 74.625 -23.903 -1.467 1.00 0.00 C ATOM 770 O LYS A 47 75.584 -23.759 -2.198 1.00 0.00 O ATOM 771 CB LYS A 47 74.104 -25.947 -2.809 1.00 0.00 C ATOM 772 CG LYS A 47 74.196 -25.200 -4.141 1.00 0.00 C ATOM 773 CD LYS A 47 75.326 -25.796 -4.983 1.00 0.00 C ATOM 774 CE LYS A 47 74.735 -26.706 -6.061 1.00 0.00 C ATOM 775 NZ LYS A 47 75.635 -27.876 -6.272 1.00 0.00 N ATOM 0 H LYS A 47 72.328 -23.357 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 47 73.408 -25.554 -0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.083 -26.335 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.437 -26.804 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 73.250 -25.274 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.380 -24.140 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.909 -24.999 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.007 -26.362 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 47 73.743 -27.046 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 47 74.615 -26.153 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 75.234 -28.495 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.572 -27.543 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.728 -28.407 -5.383 1.00 0.00 H new ATOM 789 N ASP A 48 74.441 -23.132 -0.430 1.00 0.00 N ATOM 790 CA ASP A 48 75.418 -22.050 -0.124 1.00 0.00 C ATOM 791 C ASP A 48 76.841 -22.612 -0.191 1.00 0.00 C ATOM 792 O ASP A 48 77.747 -21.975 -0.691 1.00 0.00 O ATOM 793 CB ASP A 48 75.151 -21.504 1.280 1.00 0.00 C ATOM 794 CG ASP A 48 74.693 -22.643 2.193 1.00 0.00 C ATOM 795 OD1 ASP A 48 75.548 -23.280 2.787 1.00 0.00 O ATOM 796 OD2 ASP A 48 73.496 -22.859 2.283 1.00 0.00 O ATOM 0 H ASP A 48 73.657 -23.205 0.218 1.00 0.00 H new ATOM 0 HA ASP A 48 75.310 -21.247 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 48 76.054 -21.044 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 48 74.388 -20.727 1.240 1.00 0.00 H new ATOM 801 N HIS A 49 77.042 -23.801 0.310 1.00 0.00 N ATOM 802 CA HIS A 49 78.403 -24.406 0.277 1.00 0.00 C ATOM 803 C HIS A 49 79.273 -23.775 1.367 1.00 0.00 C ATOM 804 O HIS A 49 79.481 -24.350 2.417 1.00 0.00 O ATOM 805 CB HIS A 49 79.040 -24.159 -1.093 1.00 0.00 C ATOM 806 CG HIS A 49 79.490 -25.469 -1.679 1.00 0.00 C ATOM 807 ND1 HIS A 49 79.822 -25.607 -3.017 1.00 0.00 N ATOM 808 CD2 HIS A 49 79.666 -26.711 -1.119 1.00 0.00 C ATOM 809 CE1 HIS A 49 80.178 -26.888 -3.217 1.00 0.00 C ATOM 810 NE2 HIS A 49 80.101 -27.605 -2.093 1.00 0.00 N ATOM 0 H HIS A 49 76.321 -24.380 0.741 1.00 0.00 H new ATOM 0 HA HIS A 49 78.325 -25.479 0.453 1.00 0.00 H new ATOM 0 HB2 HIS A 49 78.323 -23.678 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 49 79.888 -23.482 -0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 49 79.493 -26.956 -0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 49 80.488 -27.288 -4.171 1.00 0.00 H new ATOM 0 HE2 HIS A 49 80.315 -28.595 -1.974 1.00 0.00 H new ATOM 818 N HIS A 50 79.783 -22.597 1.129 1.00 0.00 N ATOM 819 CA HIS A 50 80.638 -21.936 2.155 1.00 0.00 C ATOM 820 C HIS A 50 80.309 -20.452 2.209 1.00 0.00 C ATOM 821 O HIS A 50 81.092 -19.636 2.651 1.00 0.00 O ATOM 822 CB HIS A 50 82.103 -22.111 1.782 1.00 0.00 C ATOM 823 CG HIS A 50 82.759 -23.067 2.740 1.00 0.00 C ATOM 824 ND1 HIS A 50 84.055 -23.525 2.558 1.00 0.00 N ATOM 825 CD2 HIS A 50 82.312 -23.660 3.895 1.00 0.00 C ATOM 826 CE1 HIS A 50 84.339 -24.355 3.578 1.00 0.00 C ATOM 827 NE2 HIS A 50 83.310 -24.473 4.422 1.00 0.00 N ATOM 0 H HIS A 50 79.645 -22.065 0.270 1.00 0.00 H new ATOM 0 HA HIS A 50 80.451 -22.388 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 50 82.186 -22.488 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 50 82.613 -21.148 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 50 81.333 -23.517 4.329 1.00 0.00 H new ATOM 0 HE1 HIS A 50 85.284 -24.864 3.700 1.00 0.00 H new ATOM 0 HE2 HIS A 50 83.266 -25.038 5.270 1.00 0.00 H new ATOM 835 N SER A 51 79.150 -20.110 1.761 1.00 0.00 N ATOM 836 CA SER A 51 78.725 -18.684 1.767 1.00 0.00 C ATOM 837 C SER A 51 78.601 -18.194 3.211 1.00 0.00 C ATOM 838 O SER A 51 78.952 -18.888 4.144 1.00 0.00 O ATOM 839 CB SER A 51 77.372 -18.552 1.066 1.00 0.00 C ATOM 840 OG SER A 51 77.555 -18.691 -0.336 1.00 0.00 O ATOM 0 H SER A 51 78.462 -20.761 1.383 1.00 0.00 H new ATOM 0 HA SER A 51 79.467 -18.082 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 51 76.684 -19.314 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 51 76.925 -17.584 1.292 1.00 0.00 H new ATOM 0 HG SER A 51 77.660 -19.639 -0.560 1.00 0.00 H new ATOM 846 N HIS A 52 78.103 -17.004 3.403 1.00 0.00 N ATOM 847 CA HIS A 52 77.956 -16.471 4.787 1.00 0.00 C ATOM 848 C HIS A 52 79.339 -16.218 5.388 1.00 0.00 C ATOM 849 O HIS A 52 79.485 -16.043 6.582 1.00 0.00 O ATOM 850 CB HIS A 52 77.204 -17.489 5.647 1.00 0.00 C ATOM 851 CG HIS A 52 76.513 -16.777 6.778 1.00 0.00 C ATOM 852 ND1 HIS A 52 75.660 -15.706 6.565 1.00 0.00 N ATOM 853 CD2 HIS A 52 76.541 -16.970 8.137 1.00 0.00 C ATOM 854 CE1 HIS A 52 75.213 -15.299 7.767 1.00 0.00 C ATOM 855 NE2 HIS A 52 75.719 -16.036 8.759 1.00 0.00 N ATOM 0 H HIS A 52 77.791 -16.377 2.661 1.00 0.00 H new ATOM 0 HA HIS A 52 77.398 -15.535 4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.474 -18.025 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 52 77.898 -18.232 6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 52 77.114 -17.731 8.646 1.00 0.00 H new ATOM 0 HE1 HIS A 52 74.528 -14.476 7.912 1.00 0.00 H new ATOM 0 HE2 HIS A 52 75.541 -15.936 9.758 1.00 0.00 H new ATOM 863 N ARG A 53 80.357 -16.198 4.571 1.00 0.00 N ATOM 864 CA ARG A 53 81.729 -15.957 5.099 1.00 0.00 C ATOM 865 C ARG A 53 81.725 -14.702 5.974 1.00 0.00 C ATOM 866 O ARG A 53 82.074 -14.742 7.137 1.00 0.00 O ATOM 867 CB ARG A 53 82.698 -15.760 3.931 1.00 0.00 C ATOM 868 CG ARG A 53 83.587 -16.997 3.791 1.00 0.00 C ATOM 869 CD ARG A 53 84.091 -17.105 2.350 1.00 0.00 C ATOM 870 NE ARG A 53 85.574 -17.242 2.352 1.00 0.00 N ATOM 871 CZ ARG A 53 86.236 -17.185 1.228 1.00 0.00 C ATOM 872 NH1 ARG A 53 86.083 -18.122 0.333 1.00 0.00 N ATOM 873 NH2 ARG A 53 87.051 -16.191 1.001 1.00 0.00 N ATOM 0 H ARG A 53 80.298 -16.338 3.562 1.00 0.00 H new ATOM 0 HA ARG A 53 82.045 -16.814 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 53 82.143 -15.592 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 53 83.312 -14.875 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 53 84.430 -16.931 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.027 -17.893 4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 53 83.636 -17.965 1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 53 83.797 -16.221 1.783 1.00 0.00 H new ATOM 0 HE ARG A 53 86.072 -17.380 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 53 85.446 -18.899 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 53 86.600 -18.078 -0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.170 -15.459 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.568 -16.146 0.123 1.00 0.00 H new ATOM 887 N GLY A 54 81.332 -13.585 5.424 1.00 0.00 N ATOM 888 CA GLY A 54 81.305 -12.329 6.225 1.00 0.00 C ATOM 889 C GLY A 54 80.230 -11.393 5.673 1.00 0.00 C ATOM 890 O GLY A 54 80.499 -10.260 5.326 1.00 0.00 O ATOM 0 H GLY A 54 81.029 -13.489 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.101 -12.557 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 54 82.279 -11.842 6.189 1.00 0.00 H new ATOM 894 N LEU A 55 79.011 -11.854 5.587 1.00 0.00 N ATOM 895 CA LEU A 55 77.927 -10.989 5.056 1.00 0.00 C ATOM 896 C LEU A 55 77.282 -10.214 6.203 1.00 0.00 C ATOM 897 O LEU A 55 76.105 -9.914 6.185 1.00 0.00 O ATOM 898 CB LEU A 55 76.873 -11.851 4.358 1.00 0.00 C ATOM 899 CG LEU A 55 77.388 -12.273 2.981 1.00 0.00 C ATOM 900 CD1 LEU A 55 76.300 -13.057 2.246 1.00 0.00 C ATOM 901 CD2 LEU A 55 77.752 -11.027 2.170 1.00 0.00 C ATOM 0 H LEU A 55 78.722 -12.793 5.862 1.00 0.00 H new ATOM 0 HA LEU A 55 78.347 -10.286 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.651 -12.732 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.942 -11.293 4.254 1.00 0.00 H new ATOM 0 HG LEU A 55 78.270 -12.902 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 55 76.668 -13.357 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 55 76.038 -13.944 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 75.417 -12.429 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 55 78.119 -11.326 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 55 76.869 -10.399 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 55 78.528 -10.467 2.692 1.00 0.00 H new ATOM 913 N LEU A 56 78.050 -9.890 7.201 1.00 0.00 N ATOM 914 CA LEU A 56 77.511 -9.140 8.352 1.00 0.00 C ATOM 915 C LEU A 56 78.041 -7.710 8.317 1.00 0.00 C ATOM 916 O LEU A 56 77.331 -6.759 8.579 1.00 0.00 O ATOM 917 CB LEU A 56 77.964 -9.822 9.639 1.00 0.00 C ATOM 918 CG LEU A 56 77.240 -11.160 9.787 1.00 0.00 C ATOM 919 CD1 LEU A 56 77.857 -11.950 10.943 1.00 0.00 C ATOM 920 CD2 LEU A 56 75.759 -10.908 10.076 1.00 0.00 C ATOM 0 H LEU A 56 79.042 -10.119 7.264 1.00 0.00 H new ATOM 0 HA LEU A 56 76.422 -9.121 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 56 79.042 -9.980 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 56 77.750 -9.184 10.496 1.00 0.00 H new ATOM 0 HG LEU A 56 77.339 -11.731 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 56 77.340 -12.904 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 56 78.913 -12.129 10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 77.758 -11.380 11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 75.242 -11.862 10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 56 75.660 -10.337 10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 56 75.318 -10.345 9.253 1.00 0.00 H new ATOM 932 N MET A 57 79.289 -7.559 7.993 1.00 0.00 N ATOM 933 CA MET A 57 79.892 -6.200 7.931 1.00 0.00 C ATOM 934 C MET A 57 79.036 -5.303 7.035 1.00 0.00 C ATOM 935 O MET A 57 78.928 -4.113 7.252 1.00 0.00 O ATOM 936 CB MET A 57 81.306 -6.300 7.354 1.00 0.00 C ATOM 937 CG MET A 57 82.061 -4.996 7.620 1.00 0.00 C ATOM 938 SD MET A 57 83.070 -4.577 6.176 1.00 0.00 S ATOM 939 CE MET A 57 84.661 -5.116 6.847 1.00 0.00 C ATOM 0 H MET A 57 79.925 -8.324 7.766 1.00 0.00 H new ATOM 0 HA MET A 57 79.936 -5.773 8.933 1.00 0.00 H new ATOM 0 HB2 MET A 57 81.836 -7.138 7.807 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.260 -6.493 6.282 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.356 -4.192 7.830 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.694 -5.103 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 57 85.444 -4.946 6.108 1.00 0.00 H new ATOM 0 HE2 MET A 57 84.886 -4.549 7.750 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.613 -6.178 7.087 1.00 0.00 H new ATOM 949 N MET A 58 78.428 -5.867 6.027 1.00 0.00 N ATOM 950 CA MET A 58 77.580 -5.050 5.117 1.00 0.00 C ATOM 951 C MET A 58 76.460 -4.388 5.921 1.00 0.00 C ATOM 952 O MET A 58 76.213 -3.204 5.803 1.00 0.00 O ATOM 953 CB MET A 58 76.971 -5.951 4.041 1.00 0.00 C ATOM 954 CG MET A 58 77.823 -5.880 2.772 1.00 0.00 C ATOM 955 SD MET A 58 77.693 -7.444 1.871 1.00 0.00 S ATOM 956 CE MET A 58 75.889 -7.576 1.902 1.00 0.00 C ATOM 0 H MET A 58 78.483 -6.859 5.795 1.00 0.00 H new ATOM 0 HA MET A 58 78.191 -4.281 4.644 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.919 -6.979 4.400 1.00 0.00 H new ATOM 0 HB3 MET A 58 75.950 -5.637 3.824 1.00 0.00 H new ATOM 0 HG2 MET A 58 77.488 -5.056 2.142 1.00 0.00 H new ATOM 0 HG3 MET A 58 78.863 -5.682 3.030 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.546 -8.080 0.999 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.581 -8.149 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 58 75.452 -6.579 1.949 1.00 0.00 H new ATOM 966 N VAL A 59 75.776 -5.145 6.736 1.00 0.00 N ATOM 967 CA VAL A 59 74.671 -4.563 7.544 1.00 0.00 C ATOM 968 C VAL A 59 75.241 -3.560 8.549 1.00 0.00 C ATOM 969 O VAL A 59 74.589 -2.606 8.926 1.00 0.00 O ATOM 970 CB VAL A 59 73.946 -5.682 8.295 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.741 -5.104 9.037 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.471 -6.740 7.297 1.00 0.00 C ATOM 0 H VAL A 59 75.937 -6.143 6.876 1.00 0.00 H new ATOM 0 HA VAL A 59 73.970 -4.053 6.884 1.00 0.00 H new ATOM 0 HB VAL A 59 74.628 -6.138 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.226 -5.902 9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.079 -4.350 9.748 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.058 -4.647 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.954 -7.538 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.790 -6.283 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.330 -7.154 6.769 1.00 0.00 H new ATOM 982 N GLY A 60 76.452 -3.767 8.987 1.00 0.00 N ATOM 983 CA GLY A 60 77.061 -2.826 9.969 1.00 0.00 C ATOM 984 C GLY A 60 77.649 -1.622 9.231 1.00 0.00 C ATOM 985 O GLY A 60 78.351 -0.813 9.806 1.00 0.00 O ATOM 0 H GLY A 60 77.046 -4.547 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.309 -2.494 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 60 77.841 -3.333 10.538 1.00 0.00 H new ATOM 989 N GLN A 61 77.370 -1.497 7.963 1.00 0.00 N ATOM 990 CA GLN A 61 77.913 -0.350 7.192 1.00 0.00 C ATOM 991 C GLN A 61 76.918 0.802 7.219 1.00 0.00 C ATOM 992 O GLN A 61 76.938 1.687 6.387 1.00 0.00 O ATOM 993 CB GLN A 61 78.154 -0.774 5.750 1.00 0.00 C ATOM 994 CG GLN A 61 79.657 -0.824 5.470 1.00 0.00 C ATOM 995 CD GLN A 61 80.028 -2.200 4.915 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.800 -2.921 5.514 1.00 0.00 O ATOM 997 NE2 GLN A 61 79.505 -2.596 3.786 1.00 0.00 N ATOM 0 H GLN A 61 76.788 -2.142 7.429 1.00 0.00 H new ATOM 0 HA GLN A 61 78.853 -0.029 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 61 77.708 -1.752 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 61 77.671 -0.073 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 61 79.931 -0.047 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.215 -0.627 6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 61 78.857 -1.990 3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 61 79.745 -3.512 3.406 1.00 0.00 H new ATOM 1006 N ARG A 62 76.054 0.785 8.175 1.00 0.00 N ATOM 1007 CA ARG A 62 75.034 1.866 8.293 1.00 0.00 C ATOM 1008 C ARG A 62 74.795 2.188 9.767 1.00 0.00 C ATOM 1009 O ARG A 62 74.605 3.327 10.144 1.00 0.00 O ATOM 1010 CB ARG A 62 73.724 1.407 7.650 1.00 0.00 C ATOM 1011 CG ARG A 62 73.511 2.155 6.333 1.00 0.00 C ATOM 1012 CD ARG A 62 72.016 2.212 6.017 1.00 0.00 C ATOM 1013 NE ARG A 62 71.393 0.898 6.341 1.00 0.00 N ATOM 1014 CZ ARG A 62 70.700 0.758 7.439 1.00 0.00 C ATOM 1015 NH1 ARG A 62 69.765 1.618 7.734 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.945 -0.243 8.241 1.00 0.00 N ATOM 0 H ARG A 62 76.002 0.064 8.894 1.00 0.00 H new ATOM 0 HA ARG A 62 75.394 2.759 7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 62 73.752 0.332 7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 62 72.890 1.595 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.917 3.164 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.045 1.653 5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 62 71.541 3.005 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 62 71.864 2.450 4.964 1.00 0.00 H new ATOM 0 HE ARG A 62 71.508 0.108 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 62 69.575 2.400 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.224 1.509 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.677 -0.915 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.404 -0.353 9.099 1.00 0.00 H new ATOM 1030 N ARG A 63 74.805 1.191 10.601 1.00 0.00 N ATOM 1031 CA ARG A 63 74.582 1.428 12.053 1.00 0.00 C ATOM 1032 C ARG A 63 75.696 2.325 12.599 1.00 0.00 C ATOM 1033 O ARG A 63 75.609 2.842 13.695 1.00 0.00 O ATOM 1034 CB ARG A 63 74.592 0.091 12.797 1.00 0.00 C ATOM 1035 CG ARG A 63 74.002 0.280 14.195 1.00 0.00 C ATOM 1036 CD ARG A 63 73.734 -1.089 14.826 1.00 0.00 C ATOM 1037 NE ARG A 63 72.263 -1.318 14.905 1.00 0.00 N ATOM 1038 CZ ARG A 63 71.752 -1.918 15.946 1.00 0.00 C ATOM 1039 NH1 ARG A 63 72.090 -3.147 16.223 1.00 0.00 N ATOM 1040 NH2 ARG A 63 70.900 -1.287 16.709 1.00 0.00 N ATOM 0 H ARG A 63 74.959 0.217 10.340 1.00 0.00 H new ATOM 0 HA ARG A 63 73.618 1.916 12.198 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.014 -0.649 12.244 1.00 0.00 H new ATOM 0 HB3 ARG A 63 75.611 -0.289 12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.691 0.851 14.818 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.076 0.853 14.136 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.204 -1.873 14.233 1.00 0.00 H new ATOM 0 HD3 ARG A 63 74.174 -1.135 15.822 1.00 0.00 H new ATOM 0 HE ARG A 63 71.656 -1.006 14.147 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.754 -3.640 15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 63 71.690 -3.615 17.036 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.634 -0.327 16.491 1.00 0.00 H new ATOM 0 HH22 ARG A 63 70.500 -1.755 17.522 1.00 0.00 H new ATOM 1054 N ARG A 64 76.742 2.511 11.842 1.00 0.00 N ATOM 1055 CA ARG A 64 77.859 3.372 12.311 1.00 0.00 C ATOM 1056 C ARG A 64 78.799 3.664 11.138 1.00 0.00 C ATOM 1057 O ARG A 64 79.999 3.764 11.302 1.00 0.00 O ATOM 1058 CB ARG A 64 78.631 2.652 13.419 1.00 0.00 C ATOM 1059 CG ARG A 64 78.775 3.578 14.628 1.00 0.00 C ATOM 1060 CD ARG A 64 80.255 3.886 14.860 1.00 0.00 C ATOM 1061 NE ARG A 64 80.386 4.909 15.935 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.512 5.034 16.584 1.00 0.00 C ATOM 1063 NH1 ARG A 64 82.615 4.560 16.073 1.00 0.00 N ATOM 1064 NH2 ARG A 64 81.535 5.633 17.743 1.00 0.00 N ATOM 0 H ARG A 64 76.870 2.102 10.916 1.00 0.00 H new ATOM 0 HA ARG A 64 77.459 4.308 12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 64 78.108 1.740 13.707 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.615 2.355 13.057 1.00 0.00 H new ATOM 0 HG2 ARG A 64 78.222 4.502 14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 64 78.347 3.107 15.513 1.00 0.00 H new ATOM 0 HD2 ARG A 64 80.787 2.977 15.141 1.00 0.00 H new ATOM 0 HD3 ARG A 64 80.711 4.250 13.939 1.00 0.00 H new ATOM 0 HE ARG A 64 79.596 5.512 16.164 1.00 0.00 H new ATOM 0 HH11 ARG A 64 82.597 4.092 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 64 83.495 4.657 16.580 1.00 0.00 H new ATOM 0 HH21 ARG A 64 80.673 6.004 18.143 1.00 0.00 H new ATOM 0 HH22 ARG A 64 82.415 5.730 18.249 1.00 0.00 H new ATOM 1078 N LEU A 65 78.262 3.799 9.956 1.00 0.00 N ATOM 1079 CA LEU A 65 79.123 4.083 8.776 1.00 0.00 C ATOM 1080 C LEU A 65 79.813 5.438 8.954 1.00 0.00 C ATOM 1081 O LEU A 65 80.716 5.787 8.219 1.00 0.00 O ATOM 1082 CB LEU A 65 78.264 4.059 7.492 1.00 0.00 C ATOM 1083 CG LEU A 65 77.723 5.454 7.129 1.00 0.00 C ATOM 1084 CD1 LEU A 65 77.179 6.163 8.371 1.00 0.00 C ATOM 1085 CD2 LEU A 65 78.840 6.296 6.504 1.00 0.00 C ATOM 0 H LEU A 65 77.264 3.725 9.758 1.00 0.00 H new ATOM 0 HA LEU A 65 79.894 3.318 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.861 3.676 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 77.429 3.371 7.628 1.00 0.00 H new ATOM 0 HG LEU A 65 76.911 5.334 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.802 7.147 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 76.370 5.573 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.977 6.275 9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 65 78.453 7.282 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 79.659 6.401 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 79.205 5.805 5.602 1.00 0.00 H new ATOM 1097 N LEU A 66 79.398 6.205 9.925 1.00 0.00 N ATOM 1098 CA LEU A 66 80.031 7.533 10.147 1.00 0.00 C ATOM 1099 C LEU A 66 81.504 7.341 10.517 1.00 0.00 C ATOM 1100 O LEU A 66 82.352 8.139 10.167 1.00 0.00 O ATOM 1101 CB LEU A 66 79.310 8.259 11.284 1.00 0.00 C ATOM 1102 CG LEU A 66 78.976 7.264 12.396 1.00 0.00 C ATOM 1103 CD1 LEU A 66 79.502 7.794 13.731 1.00 0.00 C ATOM 1104 CD2 LEU A 66 77.457 7.087 12.481 1.00 0.00 C ATOM 0 H LEU A 66 78.647 5.968 10.574 1.00 0.00 H new ATOM 0 HA LEU A 66 79.960 8.126 9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.939 9.059 11.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.397 8.724 10.911 1.00 0.00 H new ATOM 0 HG LEU A 66 79.444 6.304 12.177 1.00 0.00 H new ATOM 0 HD11 LEU A 66 79.264 7.085 14.523 1.00 0.00 H new ATOM 0 HD12 LEU A 66 80.583 7.922 13.671 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.035 8.754 13.951 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.217 6.378 13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 66 76.990 8.047 12.700 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.081 6.709 11.530 1.00 0.00 H new ATOM 1116 N ARG A 67 81.815 6.289 11.222 1.00 0.00 N ATOM 1117 CA ARG A 67 83.232 6.047 11.617 1.00 0.00 C ATOM 1118 C ARG A 67 84.128 6.094 10.376 1.00 0.00 C ATOM 1119 O ARG A 67 85.327 6.267 10.473 1.00 0.00 O ATOM 1120 CB ARG A 67 83.349 4.672 12.278 1.00 0.00 C ATOM 1121 CG ARG A 67 83.176 3.578 11.222 1.00 0.00 C ATOM 1122 CD ARG A 67 84.445 2.727 11.158 1.00 0.00 C ATOM 1123 NE ARG A 67 84.411 1.703 12.240 1.00 0.00 N ATOM 1124 CZ ARG A 67 84.500 0.436 11.944 1.00 0.00 C ATOM 1125 NH1 ARG A 67 83.962 -0.015 10.843 1.00 0.00 N ATOM 1126 NH2 ARG A 67 85.126 -0.381 12.746 1.00 0.00 N ATOM 0 H ARG A 67 81.149 5.586 11.542 1.00 0.00 H new ATOM 0 HA ARG A 67 83.548 6.818 12.320 1.00 0.00 H new ATOM 0 HB2 ARG A 67 84.320 4.572 12.764 1.00 0.00 H new ATOM 0 HB3 ARG A 67 82.592 4.565 13.054 1.00 0.00 H new ATOM 0 HG2 ARG A 67 82.318 2.953 11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.976 4.026 10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 67 84.521 2.241 10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.326 3.359 11.269 1.00 0.00 H new ATOM 0 HE ARG A 67 84.318 1.993 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 67 83.473 0.623 10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 67 84.031 -1.006 10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.547 -0.029 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 67 85.195 -1.372 12.513 1.00 0.00 H new ATOM 1140 N TYR A 68 83.560 5.937 9.212 1.00 0.00 N ATOM 1141 CA TYR A 68 84.378 5.970 7.974 1.00 0.00 C ATOM 1142 C TYR A 68 84.236 7.334 7.295 1.00 0.00 C ATOM 1143 O TYR A 68 85.107 8.177 7.382 1.00 0.00 O ATOM 1144 CB TYR A 68 83.903 4.873 7.020 1.00 0.00 C ATOM 1145 CG TYR A 68 84.911 3.748 6.999 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.612 3.414 8.164 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.142 3.038 5.813 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.545 2.371 8.144 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.075 1.995 5.794 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.777 1.662 6.958 1.00 0.00 C ATOM 1151 OH TYR A 68 87.697 0.633 6.939 1.00 0.00 O ATOM 0 H TYR A 68 82.561 5.787 9.068 1.00 0.00 H new ATOM 0 HA TYR A 68 85.424 5.804 8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.930 4.497 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.776 5.280 6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.433 3.961 9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.601 3.295 4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.086 2.113 9.042 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.253 1.447 4.881 1.00 0.00 H new ATOM 0 HH TYR A 68 87.736 0.246 6.040 1.00 0.00 H new ATOM 1161 N LEU A 69 83.147 7.552 6.610 1.00 0.00 N ATOM 1162 CA LEU A 69 82.946 8.855 5.916 1.00 0.00 C ATOM 1163 C LEU A 69 82.880 9.989 6.941 1.00 0.00 C ATOM 1164 O LEU A 69 83.724 10.862 6.971 1.00 0.00 O ATOM 1165 CB LEU A 69 81.639 8.811 5.122 1.00 0.00 C ATOM 1166 CG LEU A 69 81.611 9.968 4.122 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.684 9.749 3.054 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.235 10.030 3.455 1.00 0.00 C ATOM 0 H LEU A 69 82.386 6.882 6.501 1.00 0.00 H new ATOM 0 HA LEU A 69 83.782 9.033 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.552 7.860 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.787 8.880 5.799 1.00 0.00 H new ATOM 0 HG LEU A 69 81.806 10.904 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.663 10.574 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.665 9.703 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.490 8.813 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.213 10.854 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.041 9.093 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.469 10.187 4.215 1.00 0.00 H new ATOM 1180 N GLN A 70 81.879 9.989 7.779 1.00 0.00 N ATOM 1181 CA GLN A 70 81.759 11.069 8.795 1.00 0.00 C ATOM 1182 C GLN A 70 83.107 11.271 9.490 1.00 0.00 C ATOM 1183 O GLN A 70 83.401 12.331 10.006 1.00 0.00 O ATOM 1184 CB GLN A 70 80.712 10.670 9.833 1.00 0.00 C ATOM 1185 CG GLN A 70 80.744 11.662 10.993 1.00 0.00 C ATOM 1186 CD GLN A 70 81.515 11.055 12.166 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.643 10.631 12.013 1.00 0.00 O ATOM 1188 NE2 GLN A 70 80.950 10.993 13.342 1.00 0.00 N ATOM 0 H GLN A 70 81.140 9.287 7.803 1.00 0.00 H new ATOM 0 HA GLN A 70 81.460 11.996 8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 70 79.721 10.656 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 70 80.910 9.662 10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.216 12.592 10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.728 11.909 11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.003 11.349 13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.456 10.589 14.130 1.00 0.00 H new ATOM 1197 N ARG A 71 83.920 10.253 9.517 1.00 0.00 N ATOM 1198 CA ARG A 71 85.245 10.364 10.187 1.00 0.00 C ATOM 1199 C ARG A 71 86.220 11.147 9.305 1.00 0.00 C ATOM 1200 O ARG A 71 86.979 11.968 9.782 1.00 0.00 O ATOM 1201 CB ARG A 71 85.804 8.963 10.442 1.00 0.00 C ATOM 1202 CG ARG A 71 85.560 8.573 11.901 1.00 0.00 C ATOM 1203 CD ARG A 71 86.178 9.627 12.822 1.00 0.00 C ATOM 1204 NE ARG A 71 87.193 8.983 13.703 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.302 9.609 13.985 1.00 0.00 C ATOM 1206 NH1 ARG A 71 88.954 10.239 13.046 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.762 9.604 15.207 1.00 0.00 N ATOM 0 H ARG A 71 83.722 9.343 9.101 1.00 0.00 H new ATOM 0 HA ARG A 71 85.121 10.891 11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.326 8.243 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.871 8.940 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.490 8.490 12.092 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.997 7.595 12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.643 10.415 12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.402 10.097 13.426 1.00 0.00 H new ATOM 0 HE ARG A 71 87.021 8.053 14.085 1.00 0.00 H new ATOM 0 HH11 ARG A 71 88.596 10.242 12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.821 10.728 13.267 1.00 0.00 H new ATOM 0 HH21 ARG A 71 88.254 9.111 15.941 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.629 10.094 15.427 1.00 0.00 H new ATOM 1221 N GLU A 72 86.212 10.899 8.023 1.00 0.00 N ATOM 1222 CA GLU A 72 87.144 11.625 7.118 1.00 0.00 C ATOM 1223 C GLU A 72 86.498 12.913 6.631 1.00 0.00 C ATOM 1224 O GLU A 72 86.886 13.489 5.633 1.00 0.00 O ATOM 1225 CB GLU A 72 87.470 10.747 5.921 1.00 0.00 C ATOM 1226 CG GLU A 72 88.394 9.613 6.360 1.00 0.00 C ATOM 1227 CD GLU A 72 89.090 9.016 5.136 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.394 8.534 4.259 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.310 9.053 5.096 1.00 0.00 O ATOM 0 H GLU A 72 85.599 10.224 7.565 1.00 0.00 H new ATOM 0 HA GLU A 72 88.057 11.864 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.553 10.340 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.948 11.339 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.135 9.987 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.821 8.843 6.877 1.00 0.00 H new ATOM 1236 N ASP A 73 85.516 13.356 7.334 1.00 0.00 N ATOM 1237 CA ASP A 73 84.809 14.607 6.948 1.00 0.00 C ATOM 1238 C ASP A 73 83.505 14.714 7.745 1.00 0.00 C ATOM 1239 O ASP A 73 82.612 13.909 7.569 1.00 0.00 O ATOM 1240 CB ASP A 73 84.485 14.565 5.453 1.00 0.00 C ATOM 1241 CG ASP A 73 85.481 15.438 4.689 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.740 16.541 5.142 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.970 14.988 3.666 1.00 0.00 O ATOM 0 H ASP A 73 85.159 12.904 8.176 1.00 0.00 H new ATOM 0 HA ASP A 73 85.443 15.468 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.531 13.539 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.469 14.919 5.281 1.00 0.00 H new ATOM 1248 N PRO A 74 83.425 15.706 8.598 1.00 0.00 N ATOM 1249 CA PRO A 74 82.230 15.932 9.424 1.00 0.00 C ATOM 1250 C PRO A 74 81.128 16.544 8.564 1.00 0.00 C ATOM 1251 O PRO A 74 79.953 16.363 8.813 1.00 0.00 O ATOM 1252 CB PRO A 74 82.710 16.906 10.502 1.00 0.00 C ATOM 1253 CG PRO A 74 83.961 17.610 9.924 1.00 0.00 C ATOM 1254 CD PRO A 74 84.505 16.692 8.812 1.00 0.00 C ATOM 0 HA PRO A 74 81.814 15.022 9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.933 17.631 10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.952 16.377 11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.704 18.592 9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.711 17.767 10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.719 17.252 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.433 16.207 9.114 1.00 0.00 H new ATOM 1262 N GLU A 75 81.507 17.246 7.538 1.00 0.00 N ATOM 1263 CA GLU A 75 80.497 17.850 6.636 1.00 0.00 C ATOM 1264 C GLU A 75 79.921 16.738 5.764 1.00 0.00 C ATOM 1265 O GLU A 75 78.750 16.726 5.439 1.00 0.00 O ATOM 1266 CB GLU A 75 81.159 18.912 5.754 1.00 0.00 C ATOM 1267 CG GLU A 75 80.176 19.363 4.671 1.00 0.00 C ATOM 1268 CD GLU A 75 79.035 20.152 5.314 1.00 0.00 C ATOM 1269 OE1 GLU A 75 79.287 21.253 5.775 1.00 0.00 O ATOM 1270 OE2 GLU A 75 77.926 19.642 5.334 1.00 0.00 O ATOM 0 H GLU A 75 82.478 17.428 7.285 1.00 0.00 H new ATOM 0 HA GLU A 75 79.706 18.326 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.464 19.765 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 75 82.061 18.508 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 75 80.689 19.981 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.780 18.497 4.141 1.00 0.00 H new ATOM 1277 N ARG A 76 80.741 15.789 5.399 1.00 0.00 N ATOM 1278 CA ARG A 76 80.254 14.662 4.569 1.00 0.00 C ATOM 1279 C ARG A 76 79.259 13.846 5.394 1.00 0.00 C ATOM 1280 O ARG A 76 78.492 13.065 4.867 1.00 0.00 O ATOM 1281 CB ARG A 76 81.432 13.774 4.161 1.00 0.00 C ATOM 1282 CG ARG A 76 82.277 14.499 3.110 1.00 0.00 C ATOM 1283 CD ARG A 76 83.329 13.539 2.553 1.00 0.00 C ATOM 1284 NE ARG A 76 82.925 13.096 1.189 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.255 13.808 0.146 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.508 13.899 -0.211 1.00 0.00 N ATOM 1287 NH2 ARG A 76 82.335 14.428 -0.539 1.00 0.00 N ATOM 0 H ARG A 76 81.730 15.750 5.644 1.00 0.00 H new ATOM 0 HA ARG A 76 79.771 15.044 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.042 13.537 5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.067 12.828 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.640 14.865 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.761 15.369 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 76 84.301 14.031 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 76 83.434 12.676 3.211 1.00 0.00 H new ATOM 0 HE ARG A 76 82.390 12.236 1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 76 85.228 13.414 0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 76 84.767 14.455 -1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.357 14.357 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 76 82.594 14.984 -1.354 1.00 0.00 H new ATOM 1301 N TYR A 77 79.262 14.032 6.690 1.00 0.00 N ATOM 1302 CA TYR A 77 78.313 13.282 7.550 1.00 0.00 C ATOM 1303 C TYR A 77 77.003 14.058 7.655 1.00 0.00 C ATOM 1304 O TYR A 77 76.348 14.056 8.678 1.00 0.00 O ATOM 1305 CB TYR A 77 78.894 13.111 8.952 1.00 0.00 C ATOM 1306 CG TYR A 77 77.944 12.283 9.783 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.435 11.081 9.273 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.570 12.715 11.061 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.553 10.313 10.041 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.688 11.945 11.829 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.180 10.743 11.320 1.00 0.00 C ATOM 1312 OH TYR A 77 75.311 9.986 12.077 1.00 0.00 O ATOM 0 H TYR A 77 79.883 14.672 7.185 1.00 0.00 H new ATOM 0 HA TYR A 77 78.137 12.302 7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.868 12.625 8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.049 14.085 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.724 10.748 8.287 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.961 13.642 11.454 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.160 9.388 9.647 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.399 12.278 12.815 1.00 0.00 H new ATOM 0 HH TYR A 77 75.158 10.427 12.939 1.00 0.00 H new ATOM 1322 N ARG A 78 76.625 14.731 6.610 1.00 0.00 N ATOM 1323 CA ARG A 78 75.370 15.522 6.645 1.00 0.00 C ATOM 1324 C ARG A 78 74.667 15.439 5.290 1.00 0.00 C ATOM 1325 O ARG A 78 73.846 16.271 4.958 1.00 0.00 O ATOM 1326 CB ARG A 78 75.698 16.988 6.959 1.00 0.00 C ATOM 1327 CG ARG A 78 76.958 17.066 7.825 1.00 0.00 C ATOM 1328 CD ARG A 78 76.646 16.548 9.228 1.00 0.00 C ATOM 1329 NE ARG A 78 76.510 17.699 10.163 1.00 0.00 N ATOM 1330 CZ ARG A 78 75.452 18.462 10.108 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.282 17.940 9.864 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.566 19.749 10.296 1.00 0.00 N ATOM 0 H ARG A 78 77.135 14.767 5.727 1.00 0.00 H new ATOM 0 HA ARG A 78 74.714 15.119 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.848 17.543 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.860 17.454 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.757 16.475 7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 78 77.313 18.095 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.725 15.965 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.440 15.882 9.567 1.00 0.00 H new ATOM 0 HE ARG A 78 77.243 17.891 10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 78 74.193 16.935 9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 78 73.456 18.537 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 78 76.481 20.158 10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 78 74.740 20.346 10.253 1.00 0.00 H new ATOM 1346 N ALA A 79 74.978 14.447 4.503 1.00 0.00 N ATOM 1347 CA ALA A 79 74.324 14.326 3.180 1.00 0.00 C ATOM 1348 C ALA A 79 73.909 12.883 2.936 1.00 0.00 C ATOM 1349 O ALA A 79 72.749 12.583 2.737 1.00 0.00 O ATOM 1350 CB ALA A 79 75.291 14.781 2.090 1.00 0.00 C ATOM 0 H ALA A 79 75.657 13.718 4.723 1.00 0.00 H new ATOM 0 HA ALA A 79 73.435 14.956 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.810 14.692 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.571 15.820 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.184 14.156 2.112 1.00 0.00 H new ATOM 1356 N LEU A 80 74.842 11.986 2.965 1.00 0.00 N ATOM 1357 CA LEU A 80 74.495 10.557 2.750 1.00 0.00 C ATOM 1358 C LEU A 80 73.637 10.080 3.918 1.00 0.00 C ATOM 1359 O LEU A 80 73.081 9.002 3.891 1.00 0.00 O ATOM 1360 CB LEU A 80 75.776 9.723 2.665 1.00 0.00 C ATOM 1361 CG LEU A 80 75.997 9.271 1.221 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.680 10.389 0.433 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.884 8.024 1.208 1.00 0.00 C ATOM 0 H LEU A 80 75.831 12.176 3.128 1.00 0.00 H new ATOM 0 HA LEU A 80 73.941 10.443 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.628 10.310 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.702 8.856 3.321 1.00 0.00 H new ATOM 0 HG LEU A 80 75.035 9.040 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 80 76.837 10.065 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 80 76.049 11.278 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.641 10.622 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.042 7.701 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.845 8.256 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.398 7.226 1.768 1.00 0.00 H new ATOM 1375 N ILE A 81 73.499 10.886 4.933 1.00 0.00 N ATOM 1376 CA ILE A 81 72.652 10.484 6.074 1.00 0.00 C ATOM 1377 C ILE A 81 71.202 10.760 5.670 1.00 0.00 C ATOM 1378 O ILE A 81 70.278 10.072 6.052 1.00 0.00 O ATOM 1379 CB ILE A 81 73.064 11.268 7.344 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.044 12.359 7.680 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.431 11.903 7.156 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.908 11.740 8.491 1.00 0.00 C ATOM 0 H ILE A 81 73.938 11.803 5.016 1.00 0.00 H new ATOM 0 HA ILE A 81 72.771 9.427 6.312 1.00 0.00 H new ATOM 0 HB ILE A 81 73.101 10.557 8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.520 13.159 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.654 12.806 6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.705 12.450 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.170 11.125 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.400 12.590 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.175 12.509 8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.429 10.955 7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.308 11.314 9.411 1.00 0.00 H new ATOM 1394 N GLU A 82 71.005 11.764 4.875 1.00 0.00 N ATOM 1395 CA GLU A 82 69.633 12.086 4.427 1.00 0.00 C ATOM 1396 C GLU A 82 69.328 11.365 3.108 1.00 0.00 C ATOM 1397 O GLU A 82 68.218 11.414 2.615 1.00 0.00 O ATOM 1398 CB GLU A 82 69.499 13.597 4.228 1.00 0.00 C ATOM 1399 CG GLU A 82 68.901 14.226 5.488 1.00 0.00 C ATOM 1400 CD GLU A 82 69.977 15.034 6.215 1.00 0.00 C ATOM 1401 OE1 GLU A 82 71.141 14.703 6.065 1.00 0.00 O ATOM 1402 OE2 GLU A 82 69.618 15.969 6.913 1.00 0.00 O ATOM 0 H GLU A 82 71.737 12.377 4.515 1.00 0.00 H new ATOM 0 HA GLU A 82 68.924 11.755 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.475 14.035 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.864 13.806 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.064 14.871 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.509 13.449 6.144 1.00 0.00 H new ATOM 1409 N LYS A 83 70.294 10.701 2.518 1.00 0.00 N ATOM 1410 CA LYS A 83 70.020 10.005 1.234 1.00 0.00 C ATOM 1411 C LYS A 83 70.281 8.498 1.365 1.00 0.00 C ATOM 1412 O LYS A 83 70.671 7.853 0.413 1.00 0.00 O ATOM 1413 CB LYS A 83 70.922 10.584 0.142 1.00 0.00 C ATOM 1414 CG LYS A 83 70.989 12.105 0.288 1.00 0.00 C ATOM 1415 CD LYS A 83 70.939 12.754 -1.096 1.00 0.00 C ATOM 1416 CE LYS A 83 72.063 13.784 -1.220 1.00 0.00 C ATOM 1417 NZ LYS A 83 71.479 15.128 -1.493 1.00 0.00 N ATOM 0 H LYS A 83 71.248 10.615 2.870 1.00 0.00 H new ATOM 0 HA LYS A 83 68.973 10.155 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.922 10.157 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.535 10.319 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 83 70.158 12.459 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 83 71.906 12.391 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.042 11.993 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.973 13.235 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 83 72.649 13.810 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.743 13.501 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 72.243 15.828 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.938 15.098 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.848 15.397 -0.712 1.00 0.00 H new ATOM 1431 N LEU A 84 70.075 7.928 2.524 1.00 0.00 N ATOM 1432 CA LEU A 84 70.324 6.468 2.676 1.00 0.00 C ATOM 1433 C LEU A 84 69.348 5.841 3.678 1.00 0.00 C ATOM 1434 O LEU A 84 68.519 5.027 3.326 1.00 0.00 O ATOM 1435 CB LEU A 84 71.754 6.251 3.171 1.00 0.00 C ATOM 1436 CG LEU A 84 72.719 6.989 2.250 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.134 6.909 2.825 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.698 6.341 0.863 1.00 0.00 C ATOM 0 H LEU A 84 69.748 8.407 3.363 1.00 0.00 H new ATOM 0 HA LEU A 84 70.178 5.992 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 84 71.857 6.615 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 71.989 5.187 3.187 1.00 0.00 H new ATOM 0 HG LEU A 84 72.416 8.033 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.825 7.436 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.152 7.369 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.436 5.865 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.388 6.869 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.001 5.297 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.690 6.395 0.451 1.00 0.00 H new ATOM 1450 N GLY A 85 69.463 6.196 4.924 1.00 0.00 N ATOM 1451 CA GLY A 85 68.569 5.606 5.965 1.00 0.00 C ATOM 1452 C GLY A 85 69.379 5.438 7.251 1.00 0.00 C ATOM 1453 O GLY A 85 69.448 4.374 7.835 1.00 0.00 O ATOM 0 H GLY A 85 70.141 6.874 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 85 67.709 6.253 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.181 4.643 5.632 1.00 0.00 H new ATOM 1457 N ILE A 86 70.018 6.491 7.661 1.00 0.00 N ATOM 1458 CA ILE A 86 70.875 6.472 8.864 1.00 0.00 C ATOM 1459 C ILE A 86 70.043 6.786 10.119 1.00 0.00 C ATOM 1460 O ILE A 86 69.559 5.892 10.784 1.00 0.00 O ATOM 1461 CB ILE A 86 71.948 7.538 8.627 1.00 0.00 C ATOM 1462 CG1 ILE A 86 72.589 8.002 9.918 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.319 8.741 7.945 1.00 0.00 C ATOM 1464 CD1 ILE A 86 72.810 6.812 10.853 1.00 0.00 C ATOM 0 H ILE A 86 69.977 7.396 7.192 1.00 0.00 H new ATOM 0 HA ILE A 86 71.325 5.493 9.028 1.00 0.00 H new ATOM 0 HB ILE A 86 72.721 7.089 8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 86 73.541 8.489 9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 86 71.953 8.742 10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.080 9.502 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 86 70.891 8.436 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 86 70.533 9.150 8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 86 73.271 7.157 11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 86 71.852 6.343 11.078 1.00 0.00 H new ATOM 0 HD13 ILE A 86 73.464 6.086 10.370 1.00 0.00 H new ATOM 1476 N ARG A 87 69.867 8.035 10.449 1.00 0.00 N ATOM 1477 CA ARG A 87 69.079 8.394 11.636 1.00 0.00 C ATOM 1478 C ARG A 87 67.664 8.757 11.198 1.00 0.00 C ATOM 1479 O ARG A 87 66.985 7.991 10.542 1.00 0.00 O ATOM 1480 CB ARG A 87 69.765 9.576 12.326 1.00 0.00 C ATOM 1481 CG ARG A 87 71.146 9.146 12.824 1.00 0.00 C ATOM 1482 CD ARG A 87 71.030 8.613 14.253 1.00 0.00 C ATOM 1483 NE ARG A 87 72.297 8.887 14.990 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.815 7.969 15.758 1.00 0.00 C ATOM 1485 NH1 ARG A 87 72.071 7.360 16.642 1.00 0.00 N ATOM 1486 NH2 ARG A 87 74.077 7.659 15.644 1.00 0.00 N ATOM 0 H ARG A 87 70.247 8.827 9.931 1.00 0.00 H new ATOM 0 HA ARG A 87 69.017 7.561 12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 87 69.861 10.410 11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.158 9.925 13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 87 71.557 8.377 12.170 1.00 0.00 H new ATOM 0 HG3 ARG A 87 71.834 9.991 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.191 9.087 14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.830 7.542 14.238 1.00 0.00 H new ATOM 0 HE ARG A 87 72.758 9.792 14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 87 71.084 7.602 16.732 1.00 0.00 H new ATOM 0 HH12 ARG A 87 72.477 6.642 17.242 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.659 8.135 14.954 1.00 0.00 H new ATOM 0 HH22 ARG A 87 74.482 6.941 16.245 1.00 0.00 H new ATOM 1500 N GLY A 88 67.220 9.911 11.556 1.00 0.00 N ATOM 1501 CA GLY A 88 65.848 10.347 11.171 1.00 0.00 C ATOM 1502 C GLY A 88 64.815 9.487 11.901 1.00 0.00 C ATOM 1503 O GLY A 88 64.213 8.645 11.255 1.00 0.00 O ATOM 1504 OXT GLY A 88 64.642 9.686 13.092 1.00 0.00 O ATOM 0 H GLY A 88 67.748 10.588 12.107 1.00 0.00 H new ATOM 0 HA2 GLY A 88 65.705 11.398 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 88 65.715 10.257 10.093 1.00 0.00 H new