USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= 0.316 K(o=1.5,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 175:sc= 1.15 (180deg=-0.0108) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.7!) USER MOD Set 2.2: A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.0116 (180deg=-0.146) USER MOD Single : A 8 SER OG : rot -31:sc= 0.586 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.012 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.481 (180deg=0.476) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00821) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.204 USER MOD Single : A 34 ASN : amide:sc= -2.53! C(o=-2.5!,f=-7.8!) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 0.819! (180deg=-1.97!) USER MOD Single : A 44 THR OG1 : rot -163:sc= -1.04! USER MOD Single : A 46 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-9.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 54 TYR OH : rot 1:sc= 1.21 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.862 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.11) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 1.22 (180deg=1.02) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= 0.0405 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.728 K(o=-0.73,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.992 7.210 -9.199 1.00 0.00 N ATOM 2 CA GLU A 2 11.437 8.508 -8.843 1.00 0.00 C ATOM 3 C GLU A 2 11.600 8.683 -7.352 1.00 0.00 C ATOM 4 O GLU A 2 11.887 7.717 -6.651 1.00 0.00 O ATOM 5 CB GLU A 2 9.942 8.607 -9.239 1.00 0.00 C ATOM 6 CG GLU A 2 9.019 7.638 -8.504 1.00 0.00 C ATOM 7 CD GLU A 2 7.567 7.777 -8.906 1.00 0.00 C ATOM 8 OE1 GLU A 2 6.916 8.766 -8.509 1.00 0.00 O ATOM 9 OE2 GLU A 2 7.032 6.882 -9.587 1.00 0.00 O ATOM 0 HA GLU A 2 11.963 9.296 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.598 9.625 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.852 8.430 -10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.347 6.617 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.110 7.804 -7.430 1.00 0.00 H new ATOM 16 N LEU A 3 11.453 9.884 -6.862 1.00 0.00 N ATOM 17 CA LEU A 3 11.509 10.125 -5.442 1.00 0.00 C ATOM 18 C LEU A 3 10.291 10.844 -4.973 1.00 0.00 C ATOM 19 O LEU A 3 10.129 12.049 -5.194 1.00 0.00 O ATOM 20 CB LEU A 3 12.788 10.844 -5.004 1.00 0.00 C ATOM 21 CG LEU A 3 14.043 9.981 -4.929 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.248 10.837 -4.606 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.866 8.898 -3.862 1.00 0.00 C ATOM 0 H LEU A 3 11.292 10.717 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 3 11.535 9.146 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.976 11.665 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.615 11.287 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 3 14.203 9.505 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.137 10.209 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.379 11.589 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.097 11.330 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.766 8.285 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.693 9.367 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.013 8.270 -4.119 1.00 0.00 H new ATOM 35 N LYS A 4 9.422 10.092 -4.373 1.00 0.00 N ATOM 36 CA LYS A 4 8.204 10.606 -3.816 1.00 0.00 C ATOM 37 C LYS A 4 8.456 11.372 -2.537 1.00 0.00 C ATOM 38 O LYS A 4 9.484 11.192 -1.893 1.00 0.00 O ATOM 39 CB LYS A 4 7.175 9.471 -3.625 1.00 0.00 C ATOM 40 CG LYS A 4 7.693 8.172 -2.954 1.00 0.00 C ATOM 41 CD LYS A 4 7.314 8.012 -1.474 1.00 0.00 C ATOM 42 CE LYS A 4 8.179 8.818 -0.534 1.00 0.00 C ATOM 43 NZ LYS A 4 9.578 8.338 -0.483 1.00 0.00 N ATOM 0 H LYS A 4 9.539 9.086 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 4 7.780 11.319 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.348 9.857 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.768 9.211 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.307 7.316 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.779 8.144 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.274 8.309 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.382 6.959 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.170 9.862 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.751 8.781 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.070 8.787 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.586 7.305 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.062 8.584 -1.370 1.00 0.00 H new ATOM 57 N HIS A 5 7.556 12.238 -2.190 1.00 0.00 N ATOM 58 CA HIS A 5 7.680 12.974 -0.942 1.00 0.00 C ATOM 59 C HIS A 5 6.819 12.329 0.156 1.00 0.00 C ATOM 60 O HIS A 5 7.225 12.249 1.315 1.00 0.00 O ATOM 61 CB HIS A 5 7.354 14.489 -1.128 1.00 0.00 C ATOM 62 CG HIS A 5 5.932 14.805 -1.523 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.369 14.448 -2.721 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.948 15.427 -0.827 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.110 14.831 -2.724 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.790 15.439 -1.597 1.00 0.00 N ATOM 0 H HIS A 5 6.727 12.462 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 5 8.720 12.919 -0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.577 15.008 -0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.022 14.896 -1.887 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.846 13.966 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.048 15.845 0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.426 14.669 -3.544 1.00 0.00 H new ATOM 74 N SER A 6 5.669 11.812 -0.229 1.00 0.00 N ATOM 75 CA SER A 6 4.749 11.212 0.713 1.00 0.00 C ATOM 76 C SER A 6 3.998 10.073 0.039 1.00 0.00 C ATOM 77 O SER A 6 4.297 9.724 -1.111 1.00 0.00 O ATOM 78 CB SER A 6 3.749 12.278 1.158 1.00 0.00 C ATOM 79 OG SER A 6 3.038 12.782 0.032 1.00 0.00 O ATOM 0 H SER A 6 5.349 11.796 -1.197 1.00 0.00 H new ATOM 0 HA SER A 6 5.297 10.823 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.050 11.854 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.272 13.091 1.661 1.00 0.00 H new ATOM 0 HG SER A 6 2.518 13.568 0.299 1.00 0.00 H new ATOM 85 N ILE A 7 3.042 9.496 0.746 1.00 0.00 N ATOM 86 CA ILE A 7 2.135 8.516 0.169 1.00 0.00 C ATOM 87 C ILE A 7 1.193 9.229 -0.818 1.00 0.00 C ATOM 88 O ILE A 7 0.807 8.676 -1.840 1.00 0.00 O ATOM 89 CB ILE A 7 1.300 7.786 1.273 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.298 6.805 0.641 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.596 8.784 2.183 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.552 6.052 1.636 1.00 0.00 C ATOM 0 H ILE A 7 2.872 9.692 1.732 1.00 0.00 H new ATOM 0 HA ILE A 7 2.724 7.760 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 7 1.990 7.210 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.357 7.358 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.847 6.086 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.024 8.246 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.337 9.417 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.078 9.404 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.229 5.384 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.090 5.468 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.132 6.760 2.228 1.00 0.00 H new ATOM 104 N SER A 8 0.923 10.501 -0.533 1.00 0.00 N ATOM 105 CA SER A 8 0.034 11.317 -1.326 1.00 0.00 C ATOM 106 C SER A 8 0.725 11.789 -2.621 1.00 0.00 C ATOM 107 O SER A 8 0.142 12.524 -3.421 1.00 0.00 O ATOM 108 CB SER A 8 -0.490 12.499 -0.476 1.00 0.00 C ATOM 109 OG SER A 8 -1.342 13.363 -1.216 1.00 0.00 O ATOM 0 H SER A 8 1.325 10.991 0.266 1.00 0.00 H new ATOM 0 HA SER A 8 -0.825 10.719 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.032 12.111 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.356 13.069 -0.091 1.00 0.00 H new ATOM 0 HG SER A 8 -1.063 13.371 -2.155 1.00 0.00 H new ATOM 115 N ASP A 9 1.973 11.379 -2.799 1.00 0.00 N ATOM 116 CA ASP A 9 2.713 11.624 -4.039 1.00 0.00 C ATOM 117 C ASP A 9 2.211 10.626 -5.071 1.00 0.00 C ATOM 118 O ASP A 9 2.136 10.906 -6.269 1.00 0.00 O ATOM 119 CB ASP A 9 4.200 11.376 -3.798 1.00 0.00 C ATOM 120 CG ASP A 9 5.119 11.863 -4.905 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.059 11.374 -6.041 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.964 12.733 -4.621 1.00 0.00 O ATOM 0 H ASP A 9 2.504 10.868 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 9 2.569 12.650 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.488 11.863 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.357 10.306 -3.660 1.00 0.00 H new ATOM 127 N TYR A 10 1.833 9.469 -4.571 1.00 0.00 N ATOM 128 CA TYR A 10 1.308 8.403 -5.374 1.00 0.00 C ATOM 129 C TYR A 10 -0.151 8.628 -5.606 1.00 0.00 C ATOM 130 O TYR A 10 -0.830 9.222 -4.775 1.00 0.00 O ATOM 131 CB TYR A 10 1.440 7.056 -4.654 1.00 0.00 C ATOM 132 CG TYR A 10 2.824 6.491 -4.547 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.687 6.844 -3.513 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.260 5.564 -5.474 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.937 6.286 -3.427 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.507 5.009 -5.392 1.00 0.00 C ATOM 137 CZ TYR A 10 5.342 5.370 -4.372 1.00 0.00 C ATOM 138 OH TYR A 10 6.590 4.815 -4.301 1.00 0.00 O ATOM 0 H TYR A 10 1.886 9.246 -3.577 1.00 0.00 H new ATOM 0 HA TYR A 10 1.868 8.387 -6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.037 7.166 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.813 6.329 -5.171 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.370 7.563 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.603 5.272 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.601 6.564 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.830 4.289 -6.129 1.00 0.00 H new ATOM 0 HH TYR A 10 6.712 4.189 -5.045 1.00 0.00 H new ATOM 148 N THR A 11 -0.634 8.178 -6.715 1.00 0.00 N ATOM 149 CA THR A 11 -2.035 8.171 -6.947 1.00 0.00 C ATOM 150 C THR A 11 -2.535 6.827 -6.441 1.00 0.00 C ATOM 151 O THR A 11 -1.709 5.964 -6.077 1.00 0.00 O ATOM 152 CB THR A 11 -2.346 8.324 -8.449 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.681 7.291 -9.188 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.882 9.675 -8.955 1.00 0.00 C ATOM 0 H THR A 11 -0.071 7.807 -7.481 1.00 0.00 H new ATOM 0 HA THR A 11 -2.521 9.003 -6.437 1.00 0.00 H new ATOM 0 HB THR A 11 -3.424 8.244 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.882 7.390 -10.142 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.110 9.764 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.395 10.465 -8.406 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.806 9.769 -8.806 1.00 0.00 H new ATOM 162 N GLU A 12 -3.831 6.615 -6.427 1.00 0.00 N ATOM 163 CA GLU A 12 -4.378 5.354 -5.964 1.00 0.00 C ATOM 164 C GLU A 12 -3.891 4.241 -6.895 1.00 0.00 C ATOM 165 O GLU A 12 -3.555 3.160 -6.458 1.00 0.00 O ATOM 166 CB GLU A 12 -5.900 5.429 -5.946 1.00 0.00 C ATOM 167 CG GLU A 12 -6.601 4.288 -5.239 1.00 0.00 C ATOM 168 CD GLU A 12 -8.090 4.492 -5.216 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.547 5.513 -4.685 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.838 3.635 -5.738 1.00 0.00 O ATOM 0 H GLU A 12 -4.527 7.296 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.042 5.142 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.195 6.364 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.257 5.469 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.368 3.349 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.227 4.205 -4.218 1.00 0.00 H new ATOM 177 N ALA A 13 -3.774 4.582 -8.168 1.00 0.00 N ATOM 178 CA ALA A 13 -3.310 3.675 -9.194 1.00 0.00 C ATOM 179 C ALA A 13 -1.829 3.338 -9.018 1.00 0.00 C ATOM 180 O ALA A 13 -1.443 2.172 -9.065 1.00 0.00 O ATOM 181 CB ALA A 13 -3.549 4.279 -10.565 1.00 0.00 C ATOM 0 H ALA A 13 -4.003 5.512 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.875 2.747 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.197 3.590 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.615 4.461 -10.702 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.007 5.221 -10.647 1.00 0.00 H new ATOM 187 N GLU A 14 -1.006 4.345 -8.784 1.00 0.00 N ATOM 188 CA GLU A 14 0.442 4.124 -8.643 1.00 0.00 C ATOM 189 C GLU A 14 0.775 3.441 -7.348 1.00 0.00 C ATOM 190 O GLU A 14 1.760 2.712 -7.246 1.00 0.00 O ATOM 191 CB GLU A 14 1.223 5.419 -8.788 1.00 0.00 C ATOM 192 CG GLU A 14 1.034 6.085 -10.131 1.00 0.00 C ATOM 193 CD GLU A 14 1.299 5.149 -11.273 1.00 0.00 C ATOM 194 OE1 GLU A 14 2.469 4.820 -11.527 1.00 0.00 O ATOM 195 OE2 GLU A 14 0.346 4.722 -11.950 1.00 0.00 O ATOM 0 H GLU A 14 -1.300 5.317 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 14 0.742 3.462 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.917 6.109 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.283 5.214 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.015 6.466 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.701 6.944 -10.205 1.00 0.00 H new ATOM 202 N PHE A 15 -0.034 3.668 -6.367 1.00 0.00 N ATOM 203 CA PHE A 15 0.120 3.005 -5.114 1.00 0.00 C ATOM 204 C PHE A 15 -0.360 1.592 -5.253 1.00 0.00 C ATOM 205 O PHE A 15 0.129 0.718 -4.631 1.00 0.00 O ATOM 206 CB PHE A 15 -0.604 3.733 -4.019 1.00 0.00 C ATOM 207 CG PHE A 15 -0.202 3.282 -2.668 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.957 3.769 -2.098 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.972 2.381 -1.964 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.343 3.364 -0.854 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.591 1.980 -0.715 1.00 0.00 C ATOM 212 CZ PHE A 15 0.567 2.469 -0.164 1.00 0.00 C ATOM 0 H PHE A 15 -0.820 4.317 -6.411 1.00 0.00 H new ATOM 0 HA PHE A 15 1.173 2.997 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.413 4.802 -4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.678 3.589 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.564 4.477 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.879 1.991 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.253 3.746 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.200 1.280 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.869 2.146 0.821 1.00 0.00 H new ATOM 222 N LEU A 16 -1.320 1.389 -6.077 1.00 0.00 N ATOM 223 CA LEU A 16 -1.828 0.062 -6.352 1.00 0.00 C ATOM 224 C LEU A 16 -0.766 -0.759 -7.047 1.00 0.00 C ATOM 225 O LEU A 16 -0.724 -1.979 -6.939 1.00 0.00 O ATOM 226 CB LEU A 16 -3.116 0.219 -7.140 1.00 0.00 C ATOM 227 CG LEU A 16 -3.994 -0.955 -7.241 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.421 -0.513 -7.446 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.604 -1.793 -8.357 1.00 0.00 C ATOM 0 H LEU A 16 -1.791 2.133 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.065 -0.489 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.689 1.030 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.856 0.533 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.906 -1.523 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.066 -1.389 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.737 0.100 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.493 0.069 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.267 -2.656 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.673 -1.222 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.578 -2.132 -8.216 1.00 0.00 H new ATOM 241 N GLU A 17 0.100 -0.092 -7.703 1.00 0.00 N ATOM 242 CA GLU A 17 1.233 -0.743 -8.267 1.00 0.00 C ATOM 243 C GLU A 17 2.249 -1.135 -7.161 1.00 0.00 C ATOM 244 O GLU A 17 3.020 -2.057 -7.358 1.00 0.00 O ATOM 245 CB GLU A 17 1.906 0.082 -9.364 1.00 0.00 C ATOM 246 CG GLU A 17 1.042 0.331 -10.594 1.00 0.00 C ATOM 247 CD GLU A 17 0.610 -0.948 -11.283 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.480 -1.706 -11.764 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.619 -1.202 -11.402 1.00 0.00 O ATOM 0 H GLU A 17 0.053 0.913 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 17 0.868 -1.652 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.204 1.043 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.818 -0.427 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.157 0.896 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.596 0.949 -11.301 1.00 0.00 H new ATOM 256 N PHE A 18 2.199 -0.441 -5.977 1.00 0.00 N ATOM 257 CA PHE A 18 3.119 -0.736 -4.818 1.00 0.00 C ATOM 258 C PHE A 18 3.015 -2.185 -4.484 1.00 0.00 C ATOM 259 O PHE A 18 3.994 -2.918 -4.462 1.00 0.00 O ATOM 260 CB PHE A 18 2.792 0.143 -3.491 1.00 0.00 C ATOM 261 CG PHE A 18 2.063 -0.567 -2.255 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.666 -0.690 -2.174 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.799 -1.096 -1.201 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.048 -1.321 -1.080 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.179 -1.716 -0.120 1.00 0.00 C ATOM 266 CZ PHE A 18 0.810 -1.828 -0.063 1.00 0.00 C ATOM 0 H PHE A 18 1.541 0.318 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 18 4.128 -0.466 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.734 0.554 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.174 0.987 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.053 -0.291 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.876 -1.024 -1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.028 -1.405 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.781 -2.114 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.339 -2.313 0.779 1.00 0.00 H new ATOM 276 N VAL A 19 1.803 -2.583 -4.308 1.00 0.00 N ATOM 277 CA VAL A 19 1.480 -3.888 -3.842 1.00 0.00 C ATOM 278 C VAL A 19 1.724 -4.939 -4.904 1.00 0.00 C ATOM 279 O VAL A 19 2.230 -6.029 -4.615 1.00 0.00 O ATOM 280 CB VAL A 19 0.038 -3.920 -3.269 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.999 -3.501 -4.279 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.284 -5.239 -2.619 1.00 0.00 C ATOM 0 H VAL A 19 0.988 -1.996 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 19 2.152 -4.140 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 19 0.003 -3.169 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.988 -3.542 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.794 -2.483 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.966 -4.174 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.303 -5.215 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.193 -6.039 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.411 -5.420 -1.799 1.00 0.00 H new ATOM 292 N LYS A 20 1.416 -4.591 -6.136 1.00 0.00 N ATOM 293 CA LYS A 20 1.666 -5.472 -7.239 1.00 0.00 C ATOM 294 C LYS A 20 3.156 -5.747 -7.340 1.00 0.00 C ATOM 295 O LYS A 20 3.585 -6.877 -7.485 1.00 0.00 O ATOM 296 CB LYS A 20 1.222 -4.855 -8.531 1.00 0.00 C ATOM 297 CG LYS A 20 -0.248 -4.655 -8.638 1.00 0.00 C ATOM 298 CD LYS A 20 -0.574 -4.149 -9.988 1.00 0.00 C ATOM 299 CE LYS A 20 -2.050 -4.019 -10.243 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.306 -3.653 -11.648 1.00 0.00 N ATOM 0 H LYS A 20 0.991 -3.700 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 20 1.109 -6.393 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.718 -3.892 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.552 -5.487 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.769 -5.594 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.587 -3.948 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.103 -3.176 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.143 -4.819 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.548 -4.960 -10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.473 -3.262 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.327 -3.518 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.805 -2.770 -11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.966 -4.412 -12.272 1.00 0.00 H new ATOM 314 N LYS A 21 3.926 -4.680 -7.209 1.00 0.00 N ATOM 315 CA LYS A 21 5.373 -4.704 -7.303 1.00 0.00 C ATOM 316 C LYS A 21 5.975 -5.539 -6.180 1.00 0.00 C ATOM 317 O LYS A 21 6.956 -6.208 -6.379 1.00 0.00 O ATOM 318 CB LYS A 21 5.908 -3.265 -7.275 1.00 0.00 C ATOM 319 CG LYS A 21 7.412 -3.098 -7.425 1.00 0.00 C ATOM 320 CD LYS A 21 7.768 -1.622 -7.430 1.00 0.00 C ATOM 321 CE LYS A 21 9.247 -1.371 -7.672 1.00 0.00 C ATOM 322 NZ LYS A 21 10.106 -1.926 -6.602 1.00 0.00 N ATOM 0 H LYS A 21 3.550 -3.749 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 21 5.665 -5.170 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.421 -2.704 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.606 -2.807 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.926 -3.603 -6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.749 -3.566 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.188 -1.116 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.481 -1.181 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.534 -1.811 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.421 -0.298 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.099 -1.682 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.821 -1.526 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.003 -2.961 -6.576 1.00 0.00 H new ATOM 336 N ILE A 22 5.373 -5.515 -5.020 1.00 0.00 N ATOM 337 CA ILE A 22 5.853 -6.340 -3.915 1.00 0.00 C ATOM 338 C ILE A 22 5.603 -7.816 -4.231 1.00 0.00 C ATOM 339 O ILE A 22 6.449 -8.676 -3.997 1.00 0.00 O ATOM 340 CB ILE A 22 5.171 -5.951 -2.579 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.455 -4.479 -2.280 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.687 -6.833 -1.439 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.779 -3.940 -1.062 1.00 0.00 C ATOM 0 H ILE A 22 4.556 -4.943 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 22 6.923 -6.169 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 22 4.095 -6.103 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.531 -4.348 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.149 -3.884 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.198 -6.547 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.466 -7.878 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.765 -6.703 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.042 -2.890 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.699 -4.032 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.102 -4.504 -0.187 1.00 0.00 H new ATOM 355 N CYS A 23 4.468 -8.087 -4.820 1.00 0.00 N ATOM 356 CA CYS A 23 4.108 -9.431 -5.174 1.00 0.00 C ATOM 357 C CYS A 23 4.995 -9.964 -6.340 1.00 0.00 C ATOM 358 O CYS A 23 5.494 -11.087 -6.285 1.00 0.00 O ATOM 359 CB CYS A 23 2.614 -9.494 -5.542 1.00 0.00 C ATOM 360 SG CYS A 23 1.978 -11.151 -5.890 1.00 0.00 S ATOM 0 H CYS A 23 3.771 -7.384 -5.066 1.00 0.00 H new ATOM 0 HA CYS A 23 4.283 -10.075 -4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.036 -9.064 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.444 -8.866 -6.416 1.00 0.00 H new ATOM 0 HG CYS A 23 0.714 -11.078 -6.184 1.00 0.00 H new ATOM 366 N ARG A 24 5.226 -9.131 -7.361 1.00 0.00 N ATOM 367 CA ARG A 24 5.935 -9.570 -8.579 1.00 0.00 C ATOM 368 C ARG A 24 7.434 -9.213 -8.632 1.00 0.00 C ATOM 369 O ARG A 24 8.244 -9.980 -9.145 1.00 0.00 O ATOM 370 CB ARG A 24 5.233 -9.021 -9.812 1.00 0.00 C ATOM 371 CG ARG A 24 5.238 -7.527 -9.941 1.00 0.00 C ATOM 372 CD ARG A 24 4.447 -7.116 -11.136 1.00 0.00 C ATOM 373 NE ARG A 24 4.360 -5.661 -11.241 1.00 0.00 N ATOM 374 CZ ARG A 24 3.247 -4.981 -11.542 1.00 0.00 C ATOM 375 NH1 ARG A 24 2.125 -5.629 -11.874 1.00 0.00 N ATOM 376 NH2 ARG A 24 3.265 -3.661 -11.510 1.00 0.00 N ATOM 0 H ARG A 24 4.936 -8.153 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 24 5.898 -10.659 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.704 -9.447 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.199 -9.365 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.817 -7.075 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.262 -7.165 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.908 -7.521 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.444 -7.539 -11.074 1.00 0.00 H new ATOM 0 HE ARG A 24 5.210 -5.124 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.113 -6.649 -11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.281 -5.104 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.122 -3.169 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.422 -3.134 -11.738 1.00 0.00 H new ATOM 390 N ALA A 25 7.789 -8.077 -8.111 1.00 0.00 N ATOM 391 CA ALA A 25 9.141 -7.542 -8.211 1.00 0.00 C ATOM 392 C ALA A 25 9.840 -7.605 -6.872 1.00 0.00 C ATOM 393 O ALA A 25 10.787 -6.859 -6.630 1.00 0.00 O ATOM 394 CB ALA A 25 9.093 -6.114 -8.725 1.00 0.00 C ATOM 0 H ALA A 25 7.148 -7.476 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 25 9.709 -8.150 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.106 -5.719 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.626 -6.097 -9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.513 -5.499 -8.037 1.00 0.00 H new ATOM 400 N GLU A 26 9.339 -8.499 -6.022 1.00 0.00 N ATOM 401 CA GLU A 26 9.795 -8.736 -4.638 1.00 0.00 C ATOM 402 C GLU A 26 11.316 -8.556 -4.433 1.00 0.00 C ATOM 403 O GLU A 26 11.745 -7.812 -3.552 1.00 0.00 O ATOM 404 CB GLU A 26 9.331 -10.132 -4.193 1.00 0.00 C ATOM 405 CG GLU A 26 9.749 -11.266 -5.129 1.00 0.00 C ATOM 406 CD GLU A 26 9.182 -12.598 -4.725 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.514 -13.089 -3.623 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.385 -13.181 -5.493 1.00 0.00 O ATOM 0 H GLU A 26 8.567 -9.111 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 26 9.341 -7.968 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.729 -10.333 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.244 -10.130 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.425 -11.031 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.837 -11.331 -5.149 1.00 0.00 H new ATOM 415 N GLY A 27 12.110 -9.189 -5.261 1.00 0.00 N ATOM 416 CA GLY A 27 13.529 -9.062 -5.163 1.00 0.00 C ATOM 417 C GLY A 27 14.188 -10.380 -5.356 1.00 0.00 C ATOM 418 O GLY A 27 13.708 -11.201 -6.142 1.00 0.00 O ATOM 0 H GLY A 27 11.788 -9.799 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.889 -8.357 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.796 -8.655 -4.188 1.00 0.00 H new ATOM 422 N ALA A 28 15.267 -10.600 -4.668 1.00 0.00 N ATOM 423 CA ALA A 28 15.980 -11.851 -4.763 1.00 0.00 C ATOM 424 C ALA A 28 15.681 -12.677 -3.544 1.00 0.00 C ATOM 425 O ALA A 28 15.609 -13.899 -3.600 1.00 0.00 O ATOM 426 CB ALA A 28 17.469 -11.595 -4.860 1.00 0.00 C ATOM 0 H ALA A 28 15.682 -9.925 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 28 15.661 -12.386 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.998 -12.546 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.678 -10.996 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.805 -11.059 -3.972 1.00 0.00 H new ATOM 432 N THR A 29 15.497 -11.996 -2.447 1.00 0.00 N ATOM 433 CA THR A 29 15.226 -12.616 -1.187 1.00 0.00 C ATOM 434 C THR A 29 13.970 -11.993 -0.574 1.00 0.00 C ATOM 435 O THR A 29 13.412 -11.025 -1.129 1.00 0.00 O ATOM 436 CB THR A 29 16.420 -12.403 -0.249 1.00 0.00 C ATOM 437 OG1 THR A 29 16.764 -11.014 -0.258 1.00 0.00 O ATOM 438 CG2 THR A 29 17.625 -13.232 -0.677 1.00 0.00 C ATOM 0 H THR A 29 15.532 -10.977 -2.407 1.00 0.00 H new ATOM 0 HA THR A 29 15.065 -13.685 -1.330 1.00 0.00 H new ATOM 0 HB THR A 29 16.138 -12.724 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.683 -10.903 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.451 -13.055 0.011 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.362 -14.290 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.925 -12.945 -1.685 1.00 0.00 H new ATOM 446 N GLU A 30 13.533 -12.504 0.550 1.00 0.00 N ATOM 447 CA GLU A 30 12.351 -11.982 1.200 1.00 0.00 C ATOM 448 C GLU A 30 12.672 -10.740 2.011 1.00 0.00 C ATOM 449 O GLU A 30 11.764 -10.005 2.414 1.00 0.00 O ATOM 450 CB GLU A 30 11.644 -13.036 2.036 1.00 0.00 C ATOM 451 CG GLU A 30 12.484 -13.634 3.127 1.00 0.00 C ATOM 452 CD GLU A 30 11.753 -14.703 3.867 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.549 -15.791 3.300 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.390 -14.491 5.047 1.00 0.00 O ATOM 0 H GLU A 30 13.977 -13.283 1.037 1.00 0.00 H new ATOM 0 HA GLU A 30 11.654 -11.690 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.755 -12.591 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.304 -13.835 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.396 -14.048 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.786 -12.852 3.823 1.00 0.00 H new ATOM 461 N GLU A 31 13.968 -10.487 2.251 1.00 0.00 N ATOM 462 CA GLU A 31 14.367 -9.240 2.886 1.00 0.00 C ATOM 463 C GLU A 31 14.201 -8.112 1.885 1.00 0.00 C ATOM 464 O GLU A 31 14.170 -6.947 2.239 1.00 0.00 O ATOM 465 CB GLU A 31 15.818 -9.233 3.375 1.00 0.00 C ATOM 466 CG GLU A 31 16.839 -9.356 2.265 1.00 0.00 C ATOM 467 CD GLU A 31 18.110 -8.636 2.570 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.177 -7.406 2.318 1.00 0.00 O ATOM 469 OE2 GLU A 31 19.070 -9.255 3.053 1.00 0.00 O ATOM 0 H GLU A 31 14.735 -11.118 2.018 1.00 0.00 H new ATOM 0 HA GLU A 31 13.731 -9.117 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.002 -8.309 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.958 -10.055 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.056 -10.410 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.415 -8.961 1.342 1.00 0.00 H new ATOM 476 N ASP A 32 14.175 -8.459 0.617 1.00 0.00 N ATOM 477 CA ASP A 32 13.948 -7.477 -0.416 1.00 0.00 C ATOM 478 C ASP A 32 12.492 -7.125 -0.422 1.00 0.00 C ATOM 479 O ASP A 32 12.118 -5.954 -0.458 1.00 0.00 O ATOM 480 CB ASP A 32 14.412 -7.960 -1.792 1.00 0.00 C ATOM 481 CG ASP A 32 15.890 -8.218 -1.867 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.684 -7.386 -1.356 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.291 -9.245 -2.459 1.00 0.00 O ATOM 0 H ASP A 32 14.308 -9.412 0.279 1.00 0.00 H new ATOM 0 HA ASP A 32 14.544 -6.591 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.878 -8.875 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.142 -7.215 -2.540 1.00 0.00 H new ATOM 488 N ASP A 33 11.695 -8.151 -0.315 1.00 0.00 N ATOM 489 CA ASP A 33 10.242 -8.056 -0.255 1.00 0.00 C ATOM 490 C ASP A 33 9.820 -7.216 0.950 1.00 0.00 C ATOM 491 O ASP A 33 9.113 -6.211 0.810 1.00 0.00 O ATOM 492 CB ASP A 33 9.693 -9.472 -0.123 1.00 0.00 C ATOM 493 CG ASP A 33 8.182 -9.588 -0.071 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.598 -9.333 0.990 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.599 -10.091 -1.042 1.00 0.00 O ATOM 0 H ASP A 33 12.037 -9.111 -0.265 1.00 0.00 H new ATOM 0 HA ASP A 33 9.853 -7.577 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.056 -10.063 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.105 -9.919 0.782 1.00 0.00 H new ATOM 500 N ASN A 34 10.339 -7.585 2.129 1.00 0.00 N ATOM 501 CA ASN A 34 9.965 -6.911 3.372 1.00 0.00 C ATOM 502 C ASN A 34 10.320 -5.432 3.382 1.00 0.00 C ATOM 503 O ASN A 34 9.528 -4.621 3.839 1.00 0.00 O ATOM 504 CB ASN A 34 10.458 -7.639 4.676 1.00 0.00 C ATOM 505 CG ASN A 34 11.978 -7.657 4.947 1.00 0.00 C ATOM 506 OD1 ASN A 34 12.716 -6.762 4.585 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.437 -8.686 5.608 1.00 0.00 N ATOM 0 H ASN A 34 11.014 -8.341 2.244 1.00 0.00 H new ATOM 0 HA ASN A 34 8.877 -6.977 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.969 -7.169 5.530 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.110 -8.671 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.431 -8.748 5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.802 -9.427 5.903 1.00 0.00 H new ATOM 514 N LYS A 35 11.474 -5.059 2.832 1.00 0.00 N ATOM 515 CA LYS A 35 11.861 -3.663 2.855 1.00 0.00 C ATOM 516 C LYS A 35 11.052 -2.814 1.903 1.00 0.00 C ATOM 517 O LYS A 35 10.981 -1.594 2.078 1.00 0.00 O ATOM 518 CB LYS A 35 13.377 -3.419 2.726 1.00 0.00 C ATOM 519 CG LYS A 35 14.051 -4.012 1.513 1.00 0.00 C ATOM 520 CD LYS A 35 15.524 -3.620 1.475 1.00 0.00 C ATOM 521 CE LYS A 35 16.301 -4.426 0.445 1.00 0.00 C ATOM 522 NZ LYS A 35 16.439 -5.852 0.832 1.00 0.00 N ATOM 0 H LYS A 35 12.136 -5.689 2.379 1.00 0.00 H new ATOM 0 HA LYS A 35 11.611 -3.328 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.551 -2.343 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.864 -3.817 3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.958 -5.098 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.553 -3.666 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.611 -2.558 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.965 -3.770 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.797 -4.361 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.291 -3.989 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.422 -6.447 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.340 -5.990 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.652 -6.120 1.457 1.00 0.00 H new ATOM 536 N LEU A 36 10.439 -3.435 0.892 1.00 0.00 N ATOM 537 CA LEU A 36 9.520 -2.703 0.037 1.00 0.00 C ATOM 538 C LEU A 36 8.315 -2.369 0.862 1.00 0.00 C ATOM 539 O LEU A 36 7.956 -1.207 1.009 1.00 0.00 O ATOM 540 CB LEU A 36 9.084 -3.508 -1.198 1.00 0.00 C ATOM 541 CG LEU A 36 10.174 -3.880 -2.188 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.600 -4.761 -3.284 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.793 -2.620 -2.786 1.00 0.00 C ATOM 0 H LEU A 36 10.562 -4.419 0.654 1.00 0.00 H new ATOM 0 HA LEU A 36 10.025 -1.811 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.608 -4.426 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.324 -2.934 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 36 10.954 -4.435 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.388 -5.023 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.190 -5.670 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.809 -4.223 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.573 -2.899 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.023 -2.046 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.225 -2.014 -1.990 1.00 0.00 H new ATOM 555 N VAL A 37 7.750 -3.401 1.474 1.00 0.00 N ATOM 556 CA VAL A 37 6.584 -3.266 2.333 1.00 0.00 C ATOM 557 C VAL A 37 6.845 -2.220 3.402 1.00 0.00 C ATOM 558 O VAL A 37 6.077 -1.311 3.570 1.00 0.00 O ATOM 559 CB VAL A 37 6.226 -4.597 3.043 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.977 -4.429 3.886 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.048 -5.733 2.054 1.00 0.00 C ATOM 0 H VAL A 37 8.090 -4.359 1.387 1.00 0.00 H new ATOM 0 HA VAL A 37 5.752 -2.972 1.693 1.00 0.00 H new ATOM 0 HB VAL A 37 7.061 -4.856 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.740 -5.373 4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.147 -3.660 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.144 -4.133 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.798 -6.648 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.244 -5.489 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.974 -5.880 1.499 1.00 0.00 H new ATOM 571 N ARG A 38 7.977 -2.329 4.060 1.00 0.00 N ATOM 572 CA ARG A 38 8.318 -1.446 5.160 1.00 0.00 C ATOM 573 C ARG A 38 8.539 0.018 4.745 1.00 0.00 C ATOM 574 O ARG A 38 8.402 0.917 5.582 1.00 0.00 O ATOM 575 CB ARG A 38 9.492 -1.995 5.963 1.00 0.00 C ATOM 576 CG ARG A 38 9.176 -3.329 6.615 1.00 0.00 C ATOM 577 CD ARG A 38 10.352 -3.875 7.379 1.00 0.00 C ATOM 578 NE ARG A 38 10.082 -5.227 7.889 1.00 0.00 N ATOM 579 CZ ARG A 38 10.967 -6.016 8.511 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.192 -5.574 8.794 1.00 0.00 N ATOM 581 NH2 ARG A 38 10.612 -7.245 8.866 1.00 0.00 N ATOM 0 H ARG A 38 8.688 -3.030 3.851 1.00 0.00 H new ATOM 0 HA ARG A 38 7.441 -1.425 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.355 -2.110 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.770 -1.275 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.328 -3.211 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.877 -4.045 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.229 -3.897 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.587 -3.211 8.211 1.00 0.00 H new ATOM 0 HE ARG A 38 9.140 -5.596 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.464 -4.625 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.858 -6.184 9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.671 -7.582 8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.281 -7.852 9.340 1.00 0.00 H new ATOM 595 N GLU A 39 8.870 0.287 3.477 1.00 0.00 N ATOM 596 CA GLU A 39 8.996 1.683 3.080 1.00 0.00 C ATOM 597 C GLU A 39 7.613 2.224 2.753 1.00 0.00 C ATOM 598 O GLU A 39 7.267 3.338 3.126 1.00 0.00 O ATOM 599 CB GLU A 39 9.999 1.938 1.917 1.00 0.00 C ATOM 600 CG GLU A 39 9.558 1.501 0.531 1.00 0.00 C ATOM 601 CD GLU A 39 10.544 1.919 -0.534 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.626 1.329 -0.633 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.260 2.888 -1.278 1.00 0.00 O ATOM 0 H GLU A 39 9.046 -0.404 2.748 1.00 0.00 H new ATOM 0 HA GLU A 39 9.427 2.220 3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.218 3.005 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.933 1.428 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.442 0.417 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.581 1.930 0.309 1.00 0.00 H new ATOM 610 N PHE A 40 6.799 1.392 2.118 1.00 0.00 N ATOM 611 CA PHE A 40 5.446 1.767 1.773 1.00 0.00 C ATOM 612 C PHE A 40 4.580 1.890 3.023 1.00 0.00 C ATOM 613 O PHE A 40 3.816 2.837 3.167 1.00 0.00 O ATOM 614 CB PHE A 40 4.838 0.793 0.762 1.00 0.00 C ATOM 615 CG PHE A 40 5.465 0.840 -0.623 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.303 1.947 -1.440 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.182 -0.238 -1.111 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.854 1.973 -2.711 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.737 -0.217 -2.373 1.00 0.00 C ATOM 620 CZ PHE A 40 6.573 0.887 -3.176 1.00 0.00 C ATOM 0 H PHE A 40 7.060 0.448 1.832 1.00 0.00 H new ATOM 0 HA PHE A 40 5.481 2.746 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.930 -0.220 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.772 1.004 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.742 2.798 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.309 -1.113 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.722 2.842 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.300 -1.067 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.004 0.906 -4.166 1.00 0.00 H new ATOM 630 N GLU A 41 4.755 0.960 3.942 1.00 0.00 N ATOM 631 CA GLU A 41 4.059 0.955 5.217 1.00 0.00 C ATOM 632 C GLU A 41 4.467 2.104 6.123 1.00 0.00 C ATOM 633 O GLU A 41 3.762 2.444 7.073 1.00 0.00 O ATOM 634 CB GLU A 41 4.161 -0.411 5.904 1.00 0.00 C ATOM 635 CG GLU A 41 3.050 -1.321 5.439 1.00 0.00 C ATOM 636 CD GLU A 41 1.761 -0.728 5.829 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.462 -0.762 7.029 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.014 -0.260 4.967 1.00 0.00 O ATOM 0 H GLU A 41 5.394 0.174 3.823 1.00 0.00 H new ATOM 0 HA GLU A 41 3.004 1.125 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.127 -0.865 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.108 -0.286 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.095 -1.450 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.161 -2.310 5.883 1.00 0.00 H new ATOM 645 N ARG A 42 5.585 2.714 5.812 1.00 0.00 N ATOM 646 CA ARG A 42 6.035 3.889 6.522 1.00 0.00 C ATOM 647 C ARG A 42 5.189 5.069 6.066 1.00 0.00 C ATOM 648 O ARG A 42 4.816 5.945 6.846 1.00 0.00 O ATOM 649 CB ARG A 42 7.489 4.162 6.173 1.00 0.00 C ATOM 650 CG ARG A 42 8.092 5.353 6.888 1.00 0.00 C ATOM 651 CD ARG A 42 8.177 5.130 8.384 1.00 0.00 C ATOM 652 NE ARG A 42 8.662 6.324 9.071 1.00 0.00 N ATOM 653 CZ ARG A 42 9.501 6.336 10.107 1.00 0.00 C ATOM 654 NH1 ARG A 42 10.026 5.203 10.565 1.00 0.00 N ATOM 655 NH2 ARG A 42 9.826 7.493 10.673 1.00 0.00 N ATOM 0 H ARG A 42 6.207 2.412 5.062 1.00 0.00 H new ATOM 0 HA ARG A 42 5.941 3.740 7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.079 3.276 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.568 4.321 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.089 5.547 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.491 6.240 6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.194 4.859 8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.843 4.292 8.592 1.00 0.00 H new ATOM 0 HE ARG A 42 8.330 7.226 8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.788 4.315 10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.667 5.222 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.434 8.364 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.467 7.510 11.466 1.00 0.00 H new ATOM 669 N LEU A 43 4.900 5.054 4.794 1.00 0.00 N ATOM 670 CA LEU A 43 4.129 6.087 4.133 1.00 0.00 C ATOM 671 C LEU A 43 2.650 5.990 4.544 1.00 0.00 C ATOM 672 O LEU A 43 2.038 6.980 4.946 1.00 0.00 O ATOM 673 CB LEU A 43 4.267 5.918 2.609 1.00 0.00 C ATOM 674 CG LEU A 43 5.698 5.817 2.067 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.692 5.430 0.597 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.436 7.130 2.255 1.00 0.00 C ATOM 0 H LEU A 43 5.199 4.307 4.167 1.00 0.00 H new ATOM 0 HA LEU A 43 4.505 7.067 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.724 5.020 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.776 6.762 2.125 1.00 0.00 H new ATOM 0 HG LEU A 43 6.216 5.040 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.718 5.364 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.202 4.464 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.152 6.184 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.449 7.037 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.912 7.922 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.478 7.375 3.316 1.00 0.00 H new ATOM 688 N THR A 44 2.108 4.786 4.478 1.00 0.00 N ATOM 689 CA THR A 44 0.705 4.522 4.787 1.00 0.00 C ATOM 690 C THR A 44 0.398 4.760 6.243 1.00 0.00 C ATOM 691 O THR A 44 -0.689 5.272 6.580 1.00 0.00 O ATOM 692 CB THR A 44 0.375 3.062 4.477 1.00 0.00 C ATOM 693 OG1 THR A 44 1.259 2.251 5.212 1.00 0.00 O ATOM 694 CG2 THR A 44 0.573 2.789 3.031 1.00 0.00 C ATOM 0 H THR A 44 2.631 3.953 4.206 1.00 0.00 H new ATOM 0 HA THR A 44 0.109 5.202 4.178 1.00 0.00 H new ATOM 0 HB THR A 44 -0.662 2.855 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.254 1.343 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.335 1.746 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.081 3.435 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.611 2.985 2.762 1.00 0.00 H new ATOM 702 N GLU A 45 1.357 4.361 7.101 1.00 0.00 N ATOM 703 CA GLU A 45 1.237 4.369 8.520 1.00 0.00 C ATOM 704 C GLU A 45 0.108 3.393 8.887 1.00 0.00 C ATOM 705 O GLU A 45 -0.478 3.440 9.984 1.00 0.00 O ATOM 706 CB GLU A 45 0.936 5.768 9.039 1.00 0.00 C ATOM 707 CG GLU A 45 1.371 5.939 10.447 1.00 0.00 C ATOM 708 CD GLU A 45 2.864 6.079 10.576 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.572 5.056 10.715 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.359 7.226 10.542 1.00 0.00 O ATOM 0 H GLU A 45 2.262 4.015 6.782 1.00 0.00 H new ATOM 0 HA GLU A 45 2.175 4.061 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.438 6.504 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.134 5.961 8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.889 6.821 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.038 5.083 11.033 1.00 0.00 H new ATOM 717 N HIS A 46 -0.138 2.460 7.984 1.00 0.00 N ATOM 718 CA HIS A 46 -1.248 1.577 8.093 1.00 0.00 C ATOM 719 C HIS A 46 -0.959 0.459 9.128 1.00 0.00 C ATOM 720 O HIS A 46 0.139 -0.033 9.231 1.00 0.00 O ATOM 721 CB HIS A 46 -1.665 1.037 6.686 1.00 0.00 C ATOM 722 CG HIS A 46 -2.985 0.342 6.695 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.148 -0.961 7.053 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.229 0.847 6.560 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.447 -1.195 7.168 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.150 -0.134 6.867 1.00 0.00 N ATOM 0 H HIS A 46 0.439 2.306 7.157 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.110 2.126 8.473 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.703 1.867 5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.901 0.348 6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.466 1.857 6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.871 -2.141 7.471 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.166 -0.049 6.860 1.00 0.00 H new ATOM 734 N PRO A 47 -1.945 0.116 9.943 1.00 0.00 N ATOM 735 CA PRO A 47 -1.808 -0.876 11.004 1.00 0.00 C ATOM 736 C PRO A 47 -1.520 -2.260 10.522 1.00 0.00 C ATOM 737 O PRO A 47 -0.622 -2.942 11.014 1.00 0.00 O ATOM 738 CB PRO A 47 -3.173 -0.877 11.654 1.00 0.00 C ATOM 739 CG PRO A 47 -4.088 -0.181 10.739 1.00 0.00 C ATOM 740 CD PRO A 47 -3.263 0.714 9.933 1.00 0.00 C ATOM 0 HA PRO A 47 -0.969 -0.618 11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.512 -1.897 11.836 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.140 -0.375 12.621 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.621 -0.892 10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.841 0.379 11.294 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.650 0.801 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.244 1.719 10.354 1.00 0.00 H new ATOM 748 N ASP A 48 -2.251 -2.648 9.545 1.00 0.00 N ATOM 749 CA ASP A 48 -2.235 -3.985 9.076 1.00 0.00 C ATOM 750 C ASP A 48 -1.709 -3.987 7.702 1.00 0.00 C ATOM 751 O ASP A 48 -1.900 -4.917 6.978 1.00 0.00 O ATOM 752 CB ASP A 48 -3.651 -4.587 9.058 1.00 0.00 C ATOM 753 CG ASP A 48 -4.247 -4.790 10.417 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.768 -3.835 10.994 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.215 -5.920 10.929 1.00 0.00 O ATOM 0 H ASP A 48 -2.890 -2.035 9.038 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.613 -4.582 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.305 -3.933 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.620 -5.545 8.540 1.00 0.00 H new ATOM 760 N GLY A 49 -1.042 -2.913 7.352 1.00 0.00 N ATOM 761 CA GLY A 49 -0.542 -2.743 5.966 1.00 0.00 C ATOM 762 C GLY A 49 0.348 -3.822 5.519 1.00 0.00 C ATOM 763 O GLY A 49 0.181 -4.372 4.430 1.00 0.00 O ATOM 0 H GLY A 49 -0.824 -2.141 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.393 -2.683 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.010 -1.794 5.896 1.00 0.00 H new ATOM 767 N SER A 50 1.259 -4.143 6.342 1.00 0.00 N ATOM 768 CA SER A 50 2.149 -5.221 6.069 1.00 0.00 C ATOM 769 C SER A 50 1.372 -6.548 5.994 1.00 0.00 C ATOM 770 O SER A 50 1.548 -7.329 5.058 1.00 0.00 O ATOM 771 CB SER A 50 3.252 -5.210 7.108 1.00 0.00 C ATOM 772 OG SER A 50 2.721 -4.805 8.373 1.00 0.00 O ATOM 0 H SER A 50 1.421 -3.672 7.232 1.00 0.00 H new ATOM 0 HA SER A 50 2.622 -5.106 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.697 -6.202 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.046 -4.529 6.802 1.00 0.00 H new ATOM 0 HG SER A 50 3.437 -4.801 9.042 1.00 0.00 H new ATOM 778 N ASP A 51 0.445 -6.733 6.929 1.00 0.00 N ATOM 779 CA ASP A 51 -0.424 -7.910 6.970 1.00 0.00 C ATOM 780 C ASP A 51 -1.239 -8.035 5.693 1.00 0.00 C ATOM 781 O ASP A 51 -1.351 -9.108 5.168 1.00 0.00 O ATOM 782 CB ASP A 51 -1.374 -7.869 8.182 1.00 0.00 C ATOM 783 CG ASP A 51 -0.664 -7.963 9.504 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.046 -6.959 9.940 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.691 -9.039 10.134 1.00 0.00 O ATOM 0 H ASP A 51 0.273 -6.069 7.684 1.00 0.00 H new ATOM 0 HA ASP A 51 0.226 -8.780 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.948 -6.943 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.087 -8.689 8.102 1.00 0.00 H new ATOM 790 N LEU A 52 -1.732 -6.896 5.170 1.00 0.00 N ATOM 791 CA LEU A 52 -2.582 -6.827 3.949 1.00 0.00 C ATOM 792 C LEU A 52 -1.981 -7.586 2.794 1.00 0.00 C ATOM 793 O LEU A 52 -2.683 -8.271 2.049 1.00 0.00 O ATOM 794 CB LEU A 52 -2.778 -5.361 3.471 1.00 0.00 C ATOM 795 CG LEU A 52 -3.473 -4.392 4.422 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.576 -3.019 3.781 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.851 -4.899 4.803 1.00 0.00 C ATOM 0 H LEU A 52 -1.553 -5.981 5.584 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.535 -7.271 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.796 -4.952 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.347 -5.385 2.541 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.877 -4.317 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.074 -2.334 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.577 -2.646 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.152 -3.090 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.325 -4.190 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.461 -5.005 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.759 -5.867 5.296 1.00 0.00 H new ATOM 809 N ILE A 53 -0.687 -7.490 2.679 1.00 0.00 N ATOM 810 CA ILE A 53 0.029 -8.029 1.542 1.00 0.00 C ATOM 811 C ILE A 53 0.249 -9.509 1.715 1.00 0.00 C ATOM 812 O ILE A 53 0.196 -10.287 0.760 1.00 0.00 O ATOM 813 CB ILE A 53 1.391 -7.316 1.424 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.155 -5.811 1.309 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.218 -7.845 0.239 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.406 -4.998 1.338 1.00 0.00 C ATOM 0 H ILE A 53 -0.090 -7.035 3.370 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.558 -7.867 0.638 1.00 0.00 H new ATOM 0 HB ILE A 53 1.975 -7.525 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.622 -5.607 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.507 -5.492 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.169 -7.315 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.403 -8.911 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.669 -7.684 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.155 -3.941 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.931 -5.171 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.048 -5.288 0.506 1.00 0.00 H new ATOM 828 N TYR A 54 0.429 -9.892 2.933 1.00 0.00 N ATOM 829 CA TYR A 54 0.792 -11.228 3.250 1.00 0.00 C ATOM 830 C TYR A 54 -0.405 -12.122 3.548 1.00 0.00 C ATOM 831 O TYR A 54 -0.426 -13.286 3.146 1.00 0.00 O ATOM 832 CB TYR A 54 1.762 -11.226 4.412 1.00 0.00 C ATOM 833 CG TYR A 54 3.092 -10.571 4.117 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.911 -11.042 3.104 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.536 -9.497 4.867 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.136 -10.461 2.855 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.749 -8.902 4.621 1.00 0.00 C ATOM 838 CZ TYR A 54 5.550 -9.388 3.618 1.00 0.00 C ATOM 839 OH TYR A 54 6.782 -8.813 3.392 1.00 0.00 O ATOM 0 H TYR A 54 0.327 -9.280 3.743 1.00 0.00 H new ATOM 0 HA TYR A 54 1.270 -11.652 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.298 -10.714 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.939 -12.256 4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.585 -11.876 2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.914 -9.118 5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.768 -10.843 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.070 -8.058 5.213 1.00 0.00 H new ATOM 0 HH TYR A 54 7.227 -9.274 2.650 1.00 0.00 H new ATOM 849 N TYR A 55 -1.385 -11.597 4.234 1.00 0.00 N ATOM 850 CA TYR A 55 -2.534 -12.361 4.648 1.00 0.00 C ATOM 851 C TYR A 55 -3.808 -11.546 4.402 1.00 0.00 C ATOM 852 O TYR A 55 -3.881 -10.377 4.782 1.00 0.00 O ATOM 853 CB TYR A 55 -2.418 -12.733 6.145 1.00 0.00 C ATOM 854 CG TYR A 55 -1.162 -13.513 6.494 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.096 -14.887 6.302 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.033 -12.866 6.992 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.053 -15.596 6.596 1.00 0.00 C ATOM 858 CE2 TYR A 55 1.121 -13.568 7.281 1.00 0.00 C ATOM 859 CZ TYR A 55 1.159 -14.931 7.083 1.00 0.00 C ATOM 860 OH TYR A 55 2.317 -15.636 7.367 1.00 0.00 O ATOM 0 H TYR A 55 -1.410 -10.619 4.524 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.580 -13.281 4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.442 -11.819 6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.290 -13.322 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.958 -15.411 5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.061 -11.799 7.155 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.085 -16.665 6.445 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.990 -13.051 7.661 1.00 0.00 H new ATOM 0 HH TYR A 55 3.002 -15.019 7.700 1.00 0.00 H new ATOM 870 N PRO A 56 -4.809 -12.139 3.731 1.00 0.00 N ATOM 871 CA PRO A 56 -6.097 -11.477 3.462 1.00 0.00 C ATOM 872 C PRO A 56 -6.850 -11.197 4.758 1.00 0.00 C ATOM 873 O PRO A 56 -6.594 -11.839 5.782 1.00 0.00 O ATOM 874 CB PRO A 56 -6.859 -12.520 2.632 1.00 0.00 C ATOM 875 CG PRO A 56 -6.228 -13.811 3.003 1.00 0.00 C ATOM 876 CD PRO A 56 -4.777 -13.496 3.180 1.00 0.00 C ATOM 0 HA PRO A 56 -5.979 -10.516 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.924 -12.515 2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.767 -12.324 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.660 -14.212 3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.377 -14.561 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.290 -14.197 3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.235 -13.537 2.235 1.00 0.00 H new ATOM 884 N ARG A 57 -7.767 -10.256 4.737 1.00 0.00 N ATOM 885 CA ARG A 57 -8.491 -9.945 5.943 1.00 0.00 C ATOM 886 C ARG A 57 -9.731 -10.829 6.082 1.00 0.00 C ATOM 887 O ARG A 57 -9.609 -12.054 6.230 1.00 0.00 O ATOM 888 CB ARG A 57 -8.830 -8.450 6.034 1.00 0.00 C ATOM 889 CG ARG A 57 -7.616 -7.544 5.918 1.00 0.00 C ATOM 890 CD ARG A 57 -7.967 -6.111 6.242 1.00 0.00 C ATOM 891 NE ARG A 57 -8.281 -5.938 7.665 1.00 0.00 N ATOM 892 CZ ARG A 57 -9.107 -5.012 8.170 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.800 -4.216 7.366 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.251 -4.908 9.480 1.00 0.00 N ATOM 0 H ARG A 57 -8.023 -9.705 3.917 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.840 -10.166 6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.538 -8.198 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.329 -8.256 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.835 -7.891 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.212 -7.602 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.134 -5.462 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.821 -5.801 5.640 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.834 -6.575 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.706 -4.306 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.426 -3.514 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.735 -5.531 10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.879 -4.205 9.870 1.00 0.00 H new ATOM 908 N ASP A 58 -10.900 -10.244 6.043 1.00 0.00 N ATOM 909 CA ASP A 58 -12.124 -11.034 6.102 1.00 0.00 C ATOM 910 C ASP A 58 -12.974 -10.827 4.883 1.00 0.00 C ATOM 911 O ASP A 58 -13.100 -11.703 4.043 1.00 0.00 O ATOM 912 CB ASP A 58 -12.957 -10.772 7.365 1.00 0.00 C ATOM 913 CG ASP A 58 -14.222 -11.626 7.380 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.124 -12.842 7.641 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.337 -11.104 7.107 1.00 0.00 O ATOM 0 H ASP A 58 -11.041 -9.236 5.972 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.795 -12.072 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.358 -10.989 8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.227 -9.717 7.413 1.00 0.00 H new ATOM 920 N ASP A 59 -13.529 -9.654 4.777 1.00 0.00 N ATOM 921 CA ASP A 59 -14.457 -9.346 3.706 1.00 0.00 C ATOM 922 C ASP A 59 -13.744 -8.599 2.608 1.00 0.00 C ATOM 923 O ASP A 59 -14.254 -8.464 1.493 1.00 0.00 O ATOM 924 CB ASP A 59 -15.623 -8.493 4.228 1.00 0.00 C ATOM 925 CG ASP A 59 -15.274 -7.028 4.394 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.521 -6.666 5.330 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.744 -6.206 3.577 1.00 0.00 O ATOM 0 H ASP A 59 -13.358 -8.882 5.422 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.853 -10.283 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.464 -8.582 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.952 -8.891 5.188 1.00 0.00 H new ATOM 932 N ARG A 60 -12.564 -8.119 2.921 1.00 0.00 N ATOM 933 CA ARG A 60 -11.790 -7.373 2.011 1.00 0.00 C ATOM 934 C ARG A 60 -11.270 -8.270 0.907 1.00 0.00 C ATOM 935 O ARG A 60 -10.890 -9.424 1.138 1.00 0.00 O ATOM 936 CB ARG A 60 -10.657 -6.711 2.762 1.00 0.00 C ATOM 937 CG ARG A 60 -9.695 -5.939 1.911 1.00 0.00 C ATOM 938 CD ARG A 60 -10.360 -4.750 1.224 1.00 0.00 C ATOM 939 NE ARG A 60 -10.867 -3.763 2.180 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.777 -2.822 1.908 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.501 -2.895 0.790 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.993 -1.834 2.782 1.00 0.00 N ATOM 0 H ARG A 60 -12.126 -8.248 3.833 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.403 -6.602 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.080 -6.037 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.104 -7.478 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.870 -5.585 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.268 -6.600 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.642 -4.271 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.182 -5.106 0.603 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.496 -3.796 3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.361 -3.670 0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.195 -2.176 0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.464 -1.799 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.687 -1.115 2.577 1.00 0.00 H new ATOM 956 N GLU A 61 -11.298 -7.749 -0.270 1.00 0.00 N ATOM 957 CA GLU A 61 -10.828 -8.445 -1.441 1.00 0.00 C ATOM 958 C GLU A 61 -9.320 -8.521 -1.389 1.00 0.00 C ATOM 959 O GLU A 61 -8.648 -7.509 -1.156 1.00 0.00 O ATOM 960 CB GLU A 61 -11.242 -7.686 -2.697 1.00 0.00 C ATOM 961 CG GLU A 61 -11.002 -8.436 -3.997 1.00 0.00 C ATOM 962 CD GLU A 61 -11.898 -9.640 -4.135 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.068 -9.473 -4.533 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.462 -10.772 -3.848 1.00 0.00 O ATOM 0 H GLU A 61 -11.652 -6.812 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.259 -9.446 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.302 -7.440 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.698 -6.742 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.169 -7.763 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.960 -8.753 -4.044 1.00 0.00 H new ATOM 971 N ASP A 62 -8.791 -9.692 -1.577 1.00 0.00 N ATOM 972 CA ASP A 62 -7.365 -9.858 -1.593 1.00 0.00 C ATOM 973 C ASP A 62 -6.870 -9.713 -2.997 1.00 0.00 C ATOM 974 O ASP A 62 -6.772 -10.684 -3.750 1.00 0.00 O ATOM 975 CB ASP A 62 -6.925 -11.194 -0.996 1.00 0.00 C ATOM 976 CG ASP A 62 -5.413 -11.376 -1.026 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.712 -10.748 -0.220 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.901 -12.141 -1.874 1.00 0.00 O ATOM 0 H ASP A 62 -9.324 -10.549 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.927 -9.083 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.276 -11.261 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.397 -12.008 -1.547 1.00 0.00 H new ATOM 983 N SER A 63 -6.685 -8.498 -3.387 1.00 0.00 N ATOM 984 CA SER A 63 -6.183 -8.197 -4.673 1.00 0.00 C ATOM 985 C SER A 63 -5.301 -6.981 -4.538 1.00 0.00 C ATOM 986 O SER A 63 -5.388 -6.286 -3.509 1.00 0.00 O ATOM 987 CB SER A 63 -7.365 -7.910 -5.606 1.00 0.00 C ATOM 988 OG SER A 63 -8.162 -6.835 -5.108 1.00 0.00 O ATOM 0 H SER A 63 -6.882 -7.680 -2.811 1.00 0.00 H new ATOM 0 HA SER A 63 -5.608 -9.025 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.995 -7.662 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.978 -8.805 -5.707 1.00 0.00 H new ATOM 0 HG SER A 63 -8.908 -6.670 -5.721 1.00 0.00 H new ATOM 994 N PRO A 64 -4.437 -6.683 -5.532 1.00 0.00 N ATOM 995 CA PRO A 64 -3.622 -5.472 -5.509 1.00 0.00 C ATOM 996 C PRO A 64 -4.525 -4.226 -5.413 1.00 0.00 C ATOM 997 O PRO A 64 -4.145 -3.204 -4.849 1.00 0.00 O ATOM 998 CB PRO A 64 -2.851 -5.524 -6.852 1.00 0.00 C ATOM 999 CG PRO A 64 -2.873 -6.954 -7.246 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.164 -7.509 -6.730 1.00 0.00 C ATOM 0 HA PRO A 64 -2.948 -5.415 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.328 -4.898 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.830 -5.161 -6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.809 -7.061 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.023 -7.488 -6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.962 -7.423 -7.468 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.075 -8.566 -6.478 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.742 -4.362 -5.924 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.731 -3.313 -5.856 1.00 0.00 C ATOM 1010 C GLU A 65 -7.269 -3.188 -4.434 1.00 0.00 C ATOM 1011 O GLU A 65 -7.240 -2.108 -3.836 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.919 -3.563 -6.813 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.582 -3.767 -8.293 1.00 0.00 C ATOM 1014 CD GLU A 65 -6.969 -5.117 -8.602 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -7.686 -6.137 -8.516 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -5.767 -5.178 -8.932 1.00 0.00 O ATOM 0 H GLU A 65 -6.064 -5.207 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.233 -2.392 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.458 -4.443 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.603 -2.718 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.491 -3.648 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.892 -2.985 -8.610 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.728 -4.311 -3.890 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.353 -4.326 -2.582 1.00 0.00 C ATOM 1025 C GLY A 66 -7.419 -3.946 -1.450 1.00 0.00 C ATOM 1026 O GLY A 66 -7.854 -3.356 -0.461 1.00 0.00 O ATOM 0 H GLY A 66 -7.676 -5.224 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.200 -3.640 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.751 -5.323 -2.392 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.154 -4.268 -1.590 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.159 -3.907 -0.593 1.00 0.00 C ATOM 1032 C ILE A 67 -5.001 -2.385 -0.509 1.00 0.00 C ATOM 1033 O ILE A 67 -5.010 -1.809 0.588 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.812 -4.623 -0.866 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.008 -6.129 -0.638 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.689 -4.063 0.015 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.821 -6.985 -0.991 1.00 0.00 C ATOM 0 H ILE A 67 -5.783 -4.783 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.507 -4.249 0.382 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.509 -4.447 -1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.257 -6.293 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.864 -6.462 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.759 -4.588 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.562 -3.000 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.947 -4.202 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.056 -8.031 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.582 -6.858 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.965 -6.687 -0.386 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.915 -1.733 -1.663 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.858 -0.277 -1.699 1.00 0.00 C ATOM 1051 C VAL A 68 -6.141 0.288 -1.186 1.00 0.00 C ATOM 1052 O VAL A 68 -6.150 1.246 -0.418 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.594 0.277 -3.114 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.735 1.816 -3.163 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.218 -0.114 -3.523 1.00 0.00 C ATOM 0 H VAL A 68 -4.883 -2.184 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.022 0.023 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.334 -0.140 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.541 2.167 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.746 2.098 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.018 2.269 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.013 0.269 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.497 0.303 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.135 -1.201 -3.527 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.218 -0.339 -1.590 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.532 0.072 -1.229 1.00 0.00 C ATOM 1067 C LYS A 69 -8.699 0.120 0.269 1.00 0.00 C ATOM 1068 O LYS A 69 -9.295 1.053 0.779 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.540 -0.868 -1.789 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.897 -0.251 -1.863 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.226 0.194 -3.284 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.335 1.352 -3.751 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.709 1.860 -5.084 1.00 0.00 N ATOM 0 H LYS A 69 -7.194 -1.164 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.684 1.071 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.229 -1.182 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.582 -1.765 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.644 -0.968 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.947 0.605 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.107 -0.650 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.271 0.499 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.395 2.165 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.297 1.020 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.902 2.367 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.972 1.063 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.517 2.509 -4.994 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.153 -0.873 0.957 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.237 -0.940 2.400 1.00 0.00 C ATOM 1089 C GLU A 70 -7.580 0.296 3.006 1.00 0.00 C ATOM 1090 O GLU A 70 -8.223 1.048 3.720 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.562 -2.208 2.923 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.830 -2.468 4.393 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.293 -2.721 4.655 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.074 -1.765 4.828 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.708 -3.883 4.673 1.00 0.00 O ATOM 0 H GLU A 70 -7.644 -1.647 0.530 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.287 -0.971 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.908 -3.062 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.486 -2.130 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.247 -3.328 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.497 -1.612 4.981 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.317 0.523 2.642 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.550 1.684 3.100 1.00 0.00 C ATOM 1104 C ILE A 71 -6.266 2.991 2.766 1.00 0.00 C ATOM 1105 O ILE A 71 -6.357 3.904 3.593 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.136 1.684 2.455 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.315 0.566 3.067 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.419 3.033 2.640 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.036 0.311 2.369 1.00 0.00 C ATOM 0 H ILE A 71 -5.795 -0.094 2.020 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.455 1.612 4.183 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.248 1.525 1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.107 0.810 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.907 -0.349 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.435 2.989 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.006 3.824 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.308 3.243 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.506 -0.502 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.235 0.035 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.423 1.212 2.393 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.794 3.039 1.569 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.446 4.198 1.024 1.00 0.00 C ATOM 1123 C LYS A 72 -8.742 4.511 1.796 1.00 0.00 C ATOM 1124 O LYS A 72 -8.904 5.623 2.314 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.690 3.944 -0.481 1.00 0.00 C ATOM 1126 CG LYS A 72 -7.921 5.180 -1.338 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.328 5.681 -1.321 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.261 4.746 -2.064 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.618 5.294 -2.172 1.00 0.00 N ATOM 0 H LYS A 72 -6.780 2.246 0.928 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.818 5.082 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.832 3.404 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.555 3.289 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.260 5.975 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.640 4.953 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.664 5.788 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.368 6.672 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.866 4.557 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.298 3.786 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.124 4.819 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.128 5.138 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.566 6.314 -2.367 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.629 3.523 1.919 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.896 3.718 2.623 1.00 0.00 C ATOM 1145 C GLU A 73 -10.669 3.954 4.120 1.00 0.00 C ATOM 1146 O GLU A 73 -11.367 4.755 4.738 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.847 2.528 2.395 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.265 2.325 0.939 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.090 3.466 0.389 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.551 4.551 0.172 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.303 3.285 0.125 1.00 0.00 O ATOM 0 H GLU A 73 -9.494 2.585 1.542 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.367 4.610 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.364 1.619 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.742 2.672 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.372 2.203 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.837 1.400 0.858 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.677 3.281 4.677 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.328 3.408 6.083 1.00 0.00 C ATOM 1160 C TRP A 74 -8.748 4.797 6.389 1.00 0.00 C ATOM 1161 O TRP A 74 -9.226 5.484 7.293 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.348 2.298 6.462 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.861 2.281 7.879 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.446 1.681 8.946 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.653 2.856 8.356 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.660 1.843 10.059 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.555 2.564 9.719 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.653 3.587 7.748 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.481 2.975 10.488 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.580 4.008 8.484 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.494 3.697 9.855 1.00 0.00 C ATOM 0 H TRP A 74 -9.087 2.627 4.164 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.230 3.303 6.685 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.824 1.339 6.255 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.481 2.372 5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.389 1.155 8.923 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.869 1.482 10.990 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.717 3.825 6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.419 2.740 11.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.796 4.581 8.012 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.637 4.031 10.421 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.743 5.230 5.626 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.135 6.542 5.852 1.00 0.00 C ATOM 1184 C ARG A 75 -8.135 7.661 5.681 1.00 0.00 C ATOM 1185 O ARG A 75 -8.193 8.571 6.508 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.852 6.770 5.021 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.633 6.062 5.609 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.365 6.265 4.808 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.075 7.684 4.533 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.912 8.316 4.792 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.951 7.717 5.473 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.737 9.561 4.387 1.00 0.00 N ATOM 0 H ARG A 75 -7.337 4.699 4.856 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.815 6.552 6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.016 6.416 4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.650 7.839 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.471 6.421 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.842 4.994 5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.526 5.827 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.449 5.728 3.863 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.820 8.237 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.083 6.764 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.077 8.208 5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.480 10.042 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.859 10.042 4.581 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.982 7.544 4.687 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.998 8.550 4.436 1.00 0.00 C ATOM 1208 C ALA A 76 -11.108 8.507 5.503 1.00 0.00 C ATOM 1209 O ALA A 76 -11.844 9.479 5.687 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.571 8.376 3.046 1.00 0.00 C ATOM 0 H ALA A 76 -8.991 6.761 4.034 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.529 9.532 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.332 9.136 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.775 8.480 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.019 7.386 2.958 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.208 7.392 6.222 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.201 7.242 7.280 1.00 0.00 C ATOM 1218 C ALA A 77 -11.657 7.866 8.524 1.00 0.00 C ATOM 1219 O ALA A 77 -12.370 8.474 9.308 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.507 5.774 7.541 1.00 0.00 C ATOM 0 H ALA A 77 -10.610 6.576 6.090 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.127 7.729 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.250 5.693 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.896 5.316 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.595 5.261 7.845 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.366 7.701 8.680 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.633 8.191 9.814 1.00 0.00 C ATOM 1228 C ASN A 78 -9.471 9.699 9.783 1.00 0.00 C ATOM 1229 O ASN A 78 -9.288 10.334 10.823 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.250 7.537 9.874 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.212 6.100 10.396 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.209 5.686 10.964 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.264 5.347 10.233 1.00 0.00 N ATOM 0 H ASN A 78 -9.784 7.209 8.002 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.209 7.931 10.702 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.819 7.551 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.607 8.150 10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.264 4.389 10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.087 5.716 9.756 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.535 10.266 8.603 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.327 11.690 8.457 1.00 0.00 C ATOM 1242 C GLY A 79 -7.894 11.975 8.097 1.00 0.00 C ATOM 1243 O GLY A 79 -7.386 13.088 8.273 1.00 0.00 O ATOM 0 H GLY A 79 -9.728 9.769 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.988 12.084 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.584 12.199 9.386 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.238 10.955 7.605 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.888 11.036 7.190 1.00 0.00 C ATOM 1249 C LYS A 80 -5.844 11.471 5.748 1.00 0.00 C ATOM 1250 O LYS A 80 -6.880 11.533 5.083 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.235 9.683 7.345 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.020 9.254 8.787 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.496 7.842 8.843 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.046 7.434 10.245 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.128 7.436 11.254 1.00 0.00 N ATOM 0 H LYS A 80 -7.650 10.030 7.485 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.351 11.761 7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.851 8.936 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.272 9.697 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.316 9.929 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.958 9.322 9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.272 7.157 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.658 7.743 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.610 6.436 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.258 8.111 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.763 7.068 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.473 8.407 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.910 6.834 10.926 1.00 0.00 H new ATOM 1269 N SER A 81 -4.676 11.759 5.273 1.00 0.00 N ATOM 1270 CA SER A 81 -4.479 12.190 3.945 1.00 0.00 C ATOM 1271 C SER A 81 -4.592 10.995 2.988 1.00 0.00 C ATOM 1272 O SER A 81 -4.457 9.832 3.418 1.00 0.00 O ATOM 1273 CB SER A 81 -3.118 12.818 3.906 1.00 0.00 C ATOM 1274 OG SER A 81 -3.038 13.846 4.893 1.00 0.00 O ATOM 0 H SER A 81 -3.817 11.696 5.819 1.00 0.00 H new ATOM 0 HA SER A 81 -5.232 12.911 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.353 12.064 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.926 13.234 2.917 1.00 0.00 H new ATOM 0 HG SER A 81 -2.148 14.255 4.868 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.799 11.259 1.728 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.019 10.196 0.794 1.00 0.00 C ATOM 1282 C GLY A 82 -3.949 10.138 -0.246 1.00 0.00 C ATOM 1283 O GLY A 82 -2.768 10.273 0.065 1.00 0.00 O ATOM 0 H GLY A 82 -4.820 12.197 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.058 9.246 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.987 10.331 0.312 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.351 9.938 -1.464 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.457 9.847 -2.557 1.00 0.00 C ATOM 1289 C PHE A 83 -3.590 11.059 -3.449 1.00 0.00 C ATOM 1290 O PHE A 83 -4.415 11.954 -3.192 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.767 8.589 -3.347 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.597 7.341 -2.551 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.343 6.842 -2.304 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.691 6.675 -2.037 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.177 5.704 -1.559 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.530 5.531 -1.290 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.270 5.042 -1.050 1.00 0.00 C ATOM 0 H PHE A 83 -5.332 9.832 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.434 9.805 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.792 8.641 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.117 8.547 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.478 7.352 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.684 7.056 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.183 5.325 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.394 5.018 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.138 4.144 -0.465 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.782 11.097 -4.464 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.818 12.132 -5.451 1.00 0.00 C ATOM 1309 C LYS A 84 -3.916 11.836 -6.453 1.00 0.00 C ATOM 1310 O LYS A 84 -4.135 10.677 -6.839 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.465 12.206 -6.182 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.433 13.156 -7.386 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.127 13.064 -8.159 1.00 0.00 C ATOM 1314 CE LYS A 84 1.048 13.591 -7.363 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.320 13.401 -8.084 1.00 0.00 N ATOM 0 H LYS A 84 -2.063 10.393 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.015 13.086 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.701 12.519 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.196 11.205 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.264 12.923 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.578 14.180 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.059 12.025 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.216 13.627 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.902 14.651 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.095 13.081 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.960 14.193 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.761 12.509 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.137 13.367 -9.107 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.616 12.844 -6.836 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.569 12.733 -7.886 1.00 0.00 C ATOM 1331 C GLN A 85 -5.048 13.496 -9.097 1.00 0.00 C ATOM 1332 O GLN A 85 -5.216 14.717 -9.214 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.014 13.150 -7.463 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.171 14.523 -6.784 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.646 14.566 -5.348 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.678 13.575 -4.625 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.131 15.693 -4.946 1.00 0.00 N ATOM 0 H GLN A 85 -4.544 13.776 -6.428 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.677 11.682 -8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.645 13.137 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.402 12.390 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.645 15.273 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.225 14.799 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.119 16.500 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.740 15.769 -4.007 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.319 12.797 -9.930 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.740 13.383 -11.086 1.00 0.00 C ATOM 1348 C GLY A 86 -3.414 12.319 -12.079 1.00 0.00 C ATOM 1349 O GLY A 86 -3.133 11.180 -11.670 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.465 12.584 -13.291 1.00 0.00 O ATOM 0 H GLY A 86 -4.117 11.804 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.430 14.104 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.837 13.930 -10.815 1.00 0.00 H new TER 1354 GLY A 86