USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 15 MET CE :methyl 172:sc= 0 (180deg=-0.0475) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 37:sc= 0.222 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc=-0.00906 (180deg=-0.0938) USER MOD Single : A 67 SER OG : rot -81:sc= 1.1 USER MOD Single : A 70 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.7) USER MOD Single : A 75 THR OG1 : rot -2:sc= 0.884 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 80:sc= 0.297 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -1.538 7.967 12.026 1.00 0.00 N ATOM 2 CA MET A 15 -0.882 7.847 10.732 1.00 0.00 C ATOM 3 C MET A 15 -0.996 6.471 10.127 1.00 0.00 C ATOM 4 O MET A 15 -0.373 6.255 9.098 1.00 0.00 O ATOM 5 CB MET A 15 0.614 8.226 10.889 1.00 0.00 C ATOM 6 CG MET A 15 0.803 9.762 10.958 1.00 0.00 C ATOM 7 SD MET A 15 2.582 10.171 10.938 1.00 0.00 S ATOM 8 CE MET A 15 3.019 9.924 9.182 1.00 0.00 C ATOM 0 HA MET A 15 -1.391 8.527 10.049 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.014 7.768 11.793 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.183 7.825 10.050 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.302 10.237 10.114 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.341 10.154 11.864 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.036 10.275 9.007 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.954 8.864 8.936 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.328 10.485 8.553 1.00 0.00 H new ATOM 18 N ALA A 16 -1.775 5.524 10.696 1.00 0.00 N ATOM 19 CA ALA A 16 -1.875 4.232 10.039 1.00 0.00 C ATOM 20 C ALA A 16 -2.222 4.410 8.567 1.00 0.00 C ATOM 21 O ALA A 16 -1.559 3.773 7.762 1.00 0.00 O ATOM 22 CB ALA A 16 -2.781 3.227 10.797 1.00 0.00 C ATOM 0 H ALA A 16 -2.309 5.631 11.558 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.894 3.759 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.812 2.283 10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.379 3.057 11.796 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.789 3.634 10.876 1.00 0.00 H new ATOM 28 N PRO A 17 -3.197 5.253 8.130 1.00 0.00 N ATOM 29 CA PRO A 17 -3.421 5.439 6.701 1.00 0.00 C ATOM 30 C PRO A 17 -2.605 6.540 6.077 1.00 0.00 C ATOM 31 O PRO A 17 -2.430 6.479 4.872 1.00 0.00 O ATOM 32 CB PRO A 17 -4.881 5.928 6.721 1.00 0.00 C ATOM 33 CG PRO A 17 -4.987 6.734 8.042 1.00 0.00 C ATOM 34 CD PRO A 17 -4.089 5.964 9.035 1.00 0.00 C ATOM 0 HA PRO A 17 -3.174 4.540 6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.106 6.550 5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.582 5.093 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.644 7.760 7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.017 6.785 8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.547 6.634 9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.663 5.283 9.664 1.00 0.00 H new ATOM 42 N ALA A 18 -2.096 7.549 6.818 1.00 0.00 N ATOM 43 CA ALA A 18 -1.224 8.530 6.177 1.00 0.00 C ATOM 44 C ALA A 18 -0.196 7.760 5.387 1.00 0.00 C ATOM 45 O ALA A 18 0.194 8.191 4.313 1.00 0.00 O ATOM 46 CB ALA A 18 -0.466 9.403 7.207 1.00 0.00 C ATOM 0 H ALA A 18 -2.268 7.695 7.813 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.835 9.188 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.169 10.117 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.184 9.942 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.151 8.766 7.840 1.00 0.00 H new ATOM 52 N LEU A 19 0.231 6.593 5.926 1.00 0.00 N ATOM 53 CA LEU A 19 1.178 5.774 5.190 1.00 0.00 C ATOM 54 C LEU A 19 0.495 5.243 3.945 1.00 0.00 C ATOM 55 O LEU A 19 1.032 5.463 2.872 1.00 0.00 O ATOM 56 CB LEU A 19 1.747 4.599 6.033 1.00 0.00 C ATOM 57 CG LEU A 19 3.239 4.255 5.749 1.00 0.00 C ATOM 58 CD1 LEU A 19 3.555 4.293 4.234 1.00 0.00 C ATOM 59 CD2 LEU A 19 4.210 5.191 6.520 1.00 0.00 C ATOM 0 H LEU A 19 -0.060 6.223 6.831 1.00 0.00 H new ATOM 0 HA LEU A 19 2.030 6.401 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.640 4.843 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.142 3.711 5.848 1.00 0.00 H new ATOM 0 HG LEU A 19 3.394 3.238 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.605 4.048 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.930 3.567 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.353 5.291 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.239 4.915 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.036 6.224 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.037 5.092 7.592 1.00 0.00 H new ATOM 71 N VAL A 20 -0.675 4.556 4.038 1.00 0.00 N ATOM 72 CA VAL A 20 -1.298 4.017 2.822 1.00 0.00 C ATOM 73 C VAL A 20 -1.408 5.116 1.789 1.00 0.00 C ATOM 74 O VAL A 20 -1.261 4.848 0.607 1.00 0.00 O ATOM 75 CB VAL A 20 -2.671 3.278 2.991 1.00 0.00 C ATOM 76 CG1 VAL A 20 -3.914 4.207 2.840 1.00 0.00 C ATOM 77 CG2 VAL A 20 -2.803 2.121 1.956 1.00 0.00 C ATOM 0 H VAL A 20 -1.179 4.373 4.906 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.628 3.221 2.499 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.663 2.897 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.824 3.621 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.876 4.991 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.912 4.659 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.762 1.621 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.743 2.527 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.996 1.404 2.107 1.00 0.00 H new ATOM 87 N ALA A 21 -1.666 6.369 2.230 1.00 0.00 N ATOM 88 CA ALA A 21 -1.765 7.475 1.288 1.00 0.00 C ATOM 89 C ALA A 21 -0.412 7.787 0.687 1.00 0.00 C ATOM 90 O ALA A 21 -0.361 8.125 -0.484 1.00 0.00 O ATOM 91 CB ALA A 21 -2.330 8.753 1.959 1.00 0.00 C ATOM 0 H ALA A 21 -1.804 6.622 3.208 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.453 7.163 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.388 9.555 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.326 8.548 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.674 9.056 2.775 1.00 0.00 H new ATOM 97 N ALA A 22 0.696 7.682 1.460 1.00 0.00 N ATOM 98 CA ALA A 22 2.021 7.989 0.920 1.00 0.00 C ATOM 99 C ALA A 22 2.252 7.387 -0.447 1.00 0.00 C ATOM 100 O ALA A 22 2.982 8.015 -1.192 1.00 0.00 O ATOM 101 CB ALA A 22 3.179 7.473 1.812 1.00 0.00 C ATOM 0 H ALA A 22 0.690 7.392 2.438 1.00 0.00 H new ATOM 0 HA ALA A 22 2.027 9.078 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.134 7.733 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.111 7.933 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.107 6.390 1.911 1.00 0.00 H new ATOM 107 N PHE A 23 1.670 6.205 -0.773 1.00 0.00 N ATOM 108 CA PHE A 23 1.814 5.595 -2.106 1.00 0.00 C ATOM 109 C PHE A 23 0.450 5.292 -2.706 1.00 0.00 C ATOM 110 O PHE A 23 0.202 5.660 -3.843 1.00 0.00 O ATOM 111 CB PHE A 23 2.682 4.315 -1.998 1.00 0.00 C ATOM 112 CG PHE A 23 3.625 3.966 -3.153 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.258 4.194 -4.483 1.00 0.00 C ATOM 114 CD2 PHE A 23 4.870 3.389 -2.880 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.103 3.785 -5.508 1.00 0.00 C ATOM 116 CE2 PHE A 23 5.759 3.077 -3.916 1.00 0.00 C ATOM 117 CZ PHE A 23 5.364 3.254 -5.241 1.00 0.00 C ATOM 0 H PHE A 23 1.098 5.661 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 23 2.314 6.297 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.284 4.400 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.008 3.470 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.324 4.685 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.149 3.182 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.776 3.881 -6.533 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.746 2.701 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.026 2.983 -6.050 1.00 0.00 H new ATOM 127 N GLY A 24 -0.480 4.630 -1.977 1.00 0.00 N ATOM 128 CA GLY A 24 -1.819 4.402 -2.515 1.00 0.00 C ATOM 129 C GLY A 24 -2.699 5.634 -2.477 1.00 0.00 C ATOM 130 O GLY A 24 -3.860 5.485 -2.823 1.00 0.00 O ATOM 0 H GLY A 24 -0.323 4.258 -1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.735 4.056 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.299 3.604 -1.949 1.00 0.00 H new ATOM 134 N GLY A 25 -2.204 6.835 -2.085 1.00 0.00 N ATOM 135 CA GLY A 25 -3.033 8.041 -2.118 1.00 0.00 C ATOM 136 C GLY A 25 -2.728 8.942 -3.289 1.00 0.00 C ATOM 137 O GLY A 25 -3.443 9.923 -3.420 1.00 0.00 O ATOM 0 H GLY A 25 -1.252 6.982 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.083 7.751 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.889 8.598 -1.192 1.00 0.00 H new ATOM 141 N LYS A 26 -1.706 8.669 -4.138 1.00 0.00 N ATOM 142 CA LYS A 26 -1.462 9.547 -5.281 1.00 0.00 C ATOM 143 C LYS A 26 -2.344 9.003 -6.374 1.00 0.00 C ATOM 144 O LYS A 26 -1.836 8.276 -7.209 1.00 0.00 O ATOM 145 CB LYS A 26 0.029 9.655 -5.737 1.00 0.00 C ATOM 146 CG LYS A 26 0.998 9.977 -4.562 1.00 0.00 C ATOM 147 CD LYS A 26 1.686 8.714 -3.958 1.00 0.00 C ATOM 148 CE LYS A 26 3.206 8.557 -4.284 1.00 0.00 C ATOM 149 NZ LYS A 26 3.459 7.802 -5.533 1.00 0.00 N ATOM 0 H LYS A 26 -1.068 7.878 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.694 10.577 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.330 8.717 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.116 10.431 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.766 10.666 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.445 10.490 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.565 8.738 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.162 7.829 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.657 9.546 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.699 8.050 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.484 7.732 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.055 6.847 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.016 8.296 -6.333 1.00 0.00 H new ATOM 163 N GLU A 27 -3.660 9.319 -6.409 1.00 0.00 N ATOM 164 CA GLU A 27 -4.504 8.773 -7.479 1.00 0.00 C ATOM 165 C GLU A 27 -3.828 8.955 -8.827 1.00 0.00 C ATOM 166 O GLU A 27 -4.034 8.135 -9.708 1.00 0.00 O ATOM 167 CB GLU A 27 -5.954 9.347 -7.492 1.00 0.00 C ATOM 168 CG GLU A 27 -6.141 10.521 -8.490 1.00 0.00 C ATOM 169 CD GLU A 27 -7.511 11.130 -8.330 1.00 0.00 C ATOM 170 OE1 GLU A 27 -8.463 10.661 -9.010 1.00 0.00 O ATOM 171 OE2 GLU A 27 -7.645 12.086 -7.517 1.00 0.00 O ATOM 0 H GLU A 27 -4.137 9.922 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.616 7.709 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.651 8.549 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.212 9.687 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.376 11.279 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.012 10.163 -9.511 1.00 0.00 H new ATOM 178 N ASN A 28 -3.002 10.022 -8.983 1.00 0.00 N ATOM 179 CA ASN A 28 -2.226 10.227 -10.211 1.00 0.00 C ATOM 180 C ASN A 28 -1.535 8.981 -10.734 1.00 0.00 C ATOM 181 O ASN A 28 -1.236 8.977 -11.916 1.00 0.00 O ATOM 182 CB ASN A 28 -1.147 11.319 -9.976 1.00 0.00 C ATOM 183 CG ASN A 28 -0.366 11.598 -11.238 1.00 0.00 C ATOM 184 OD1 ASN A 28 -0.961 12.085 -12.188 1.00 0.00 O ATOM 185 ND2 ASN A 28 0.952 11.304 -11.294 1.00 0.00 N ATOM 0 H ASN A 28 -2.864 10.742 -8.274 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.953 10.529 -10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.624 12.236 -9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.466 10.997 -9.188 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.480 11.488 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.419 10.898 -10.483 1.00 0.00 H new ATOM 192 N ILE A 29 -1.291 7.961 -9.877 1.00 0.00 N ATOM 193 CA ILE A 29 -0.832 6.619 -10.264 1.00 0.00 C ATOM 194 C ILE A 29 -0.740 6.246 -11.743 1.00 0.00 C ATOM 195 O ILE A 29 -1.515 6.714 -12.560 1.00 0.00 O ATOM 196 CB ILE A 29 -1.694 5.566 -9.479 1.00 0.00 C ATOM 197 CG1 ILE A 29 -0.879 4.831 -8.375 1.00 0.00 C ATOM 198 CG2 ILE A 29 -2.386 4.532 -10.421 1.00 0.00 C ATOM 199 CD1 ILE A 29 -0.438 5.671 -7.149 1.00 0.00 C ATOM 0 H ILE A 29 -1.414 8.059 -8.869 1.00 0.00 H new ATOM 0 HA ILE A 29 0.224 6.621 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.477 6.144 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.476 3.993 -8.015 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.014 4.411 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.968 3.829 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.047 5.055 -11.113 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.628 3.989 -10.985 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.120 5.040 -6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.195 6.494 -7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.319 6.070 -6.646 1.00 0.00 H new ATOM 211 N THR A 30 0.211 5.339 -12.087 1.00 0.00 N ATOM 212 CA THR A 30 0.519 4.963 -13.470 1.00 0.00 C ATOM 213 C THR A 30 0.160 3.504 -13.715 1.00 0.00 C ATOM 214 O THR A 30 -0.561 3.264 -14.673 1.00 0.00 O ATOM 215 CB THR A 30 2.008 5.349 -13.757 1.00 0.00 C ATOM 216 OG1 THR A 30 2.084 6.622 -14.426 1.00 0.00 O ATOM 217 CG2 THR A 30 2.768 4.324 -14.633 1.00 0.00 C ATOM 0 H THR A 30 0.784 4.851 -11.398 1.00 0.00 H new ATOM 0 HA THR A 30 -0.089 5.510 -14.190 1.00 0.00 H new ATOM 0 HB THR A 30 2.481 5.378 -12.775 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.023 6.847 -14.595 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.792 4.664 -14.786 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.778 3.355 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.269 4.229 -15.598 1.00 0.00 H new ATOM 225 N ASN A 31 0.608 2.505 -12.909 1.00 0.00 N ATOM 226 CA ASN A 31 0.223 1.109 -13.165 1.00 0.00 C ATOM 227 C ASN A 31 0.195 0.293 -11.881 1.00 0.00 C ATOM 228 O ASN A 31 1.259 0.023 -11.351 1.00 0.00 O ATOM 229 CB ASN A 31 1.176 0.436 -14.200 1.00 0.00 C ATOM 230 CG ASN A 31 0.529 0.268 -15.555 1.00 0.00 C ATOM 231 OD1 ASN A 31 0.012 -0.810 -15.825 1.00 0.00 O ATOM 232 ND2 ASN A 31 0.528 1.296 -16.427 1.00 0.00 N ATOM 0 H ASN A 31 1.217 2.642 -12.103 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.784 1.131 -13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.079 1.038 -14.304 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.485 -0.540 -13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.088 1.189 -17.341 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.967 2.181 -16.173 1.00 0.00 H new ATOM 239 N LEU A 32 -0.993 -0.124 -11.371 1.00 0.00 N ATOM 240 CA LEU A 32 -1.080 -0.979 -10.178 1.00 0.00 C ATOM 241 C LEU A 32 -1.546 -2.354 -10.600 1.00 0.00 C ATOM 242 O LEU A 32 -1.948 -2.513 -11.742 1.00 0.00 O ATOM 243 CB LEU A 32 -2.094 -0.368 -9.162 1.00 0.00 C ATOM 244 CG LEU A 32 -1.451 0.633 -8.162 1.00 0.00 C ATOM 245 CD1 LEU A 32 -0.456 1.610 -8.845 1.00 0.00 C ATOM 246 CD2 LEU A 32 -2.530 1.395 -7.350 1.00 0.00 C ATOM 0 H LEU A 32 -1.897 0.122 -11.773 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.103 -1.048 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.885 0.141 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.565 -1.176 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.865 0.037 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.038 2.285 -8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.349 1.042 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.979 2.189 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.046 2.086 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.172 1.953 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.132 0.682 -6.786 1.00 0.00 H new ATOM 258 N ASP A 33 -1.496 -3.345 -9.674 1.00 0.00 N ATOM 259 CA ASP A 33 -1.997 -4.689 -9.962 1.00 0.00 C ATOM 260 C ASP A 33 -2.743 -5.170 -8.734 1.00 0.00 C ATOM 261 O ASP A 33 -2.260 -6.041 -8.027 1.00 0.00 O ATOM 262 CB ASP A 33 -0.853 -5.670 -10.329 1.00 0.00 C ATOM 263 CG ASP A 33 0.031 -5.139 -11.431 1.00 0.00 C ATOM 264 OD1 ASP A 33 0.797 -4.170 -11.181 1.00 0.00 O ATOM 265 OD2 ASP A 33 -0.022 -5.687 -12.565 1.00 0.00 O ATOM 0 H ASP A 33 -1.116 -3.229 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.658 -4.654 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.248 -5.865 -9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.281 -6.623 -10.638 1.00 0.00 H new ATOM 270 N ALA A 34 -3.939 -4.600 -8.461 1.00 0.00 N ATOM 271 CA ALA A 34 -4.701 -5.040 -7.295 1.00 0.00 C ATOM 272 C ALA A 34 -5.054 -6.502 -7.443 1.00 0.00 C ATOM 273 O ALA A 34 -5.232 -6.937 -8.569 1.00 0.00 O ATOM 274 CB ALA A 34 -5.982 -4.196 -7.072 1.00 0.00 C ATOM 0 H ALA A 34 -4.375 -3.863 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.072 -4.898 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.512 -4.564 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.708 -3.152 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.628 -4.278 -7.946 1.00 0.00 H new ATOM 280 N CYS A 35 -5.157 -7.274 -6.335 1.00 0.00 N ATOM 281 CA CYS A 35 -5.502 -8.693 -6.457 1.00 0.00 C ATOM 282 C CYS A 35 -5.927 -9.266 -5.116 1.00 0.00 C ATOM 283 O CYS A 35 -5.826 -8.554 -4.129 1.00 0.00 O ATOM 284 CB CYS A 35 -4.324 -9.504 -7.070 1.00 0.00 C ATOM 285 SG CYS A 35 -4.882 -10.562 -8.449 1.00 0.00 S ATOM 0 H CYS A 35 -5.010 -6.944 -5.381 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.350 -8.776 -7.137 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.555 -8.818 -7.425 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.867 -10.123 -6.298 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.868 -11.217 -8.931 1.00 0.00 H new ATOM 291 N ILE A 36 -6.410 -10.535 -5.081 1.00 0.00 N ATOM 292 CA ILE A 36 -6.993 -11.110 -3.861 1.00 0.00 C ATOM 293 C ILE A 36 -6.354 -10.618 -2.580 1.00 0.00 C ATOM 294 O ILE A 36 -7.038 -10.059 -1.738 1.00 0.00 O ATOM 295 CB ILE A 36 -7.132 -12.672 -3.860 1.00 0.00 C ATOM 296 CG1 ILE A 36 -5.815 -13.516 -3.846 1.00 0.00 C ATOM 297 CG2 ILE A 36 -8.085 -13.175 -4.984 1.00 0.00 C ATOM 298 CD1 ILE A 36 -4.836 -13.290 -5.030 1.00 0.00 C ATOM 0 H ILE A 36 -6.403 -11.167 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.011 -10.720 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.570 -12.856 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.283 -13.304 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.086 -14.572 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.151 -14.262 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.076 -12.746 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.695 -12.869 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.963 -13.931 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.336 -13.534 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.521 -12.247 -5.048 1.00 0.00 H new ATOM 310 N THR A 37 -5.030 -10.798 -2.427 1.00 0.00 N ATOM 311 CA THR A 37 -4.325 -10.351 -1.235 1.00 0.00 C ATOM 312 C THR A 37 -2.945 -9.948 -1.733 1.00 0.00 C ATOM 313 O THR A 37 -1.923 -10.268 -1.143 1.00 0.00 O ATOM 314 CB THR A 37 -4.505 -11.465 -0.155 1.00 0.00 C ATOM 315 OG1 THR A 37 -5.613 -11.134 0.702 1.00 0.00 O ATOM 316 CG2 THR A 37 -3.277 -11.661 0.754 1.00 0.00 C ATOM 0 H THR A 37 -4.435 -11.251 -3.121 1.00 0.00 H new ATOM 0 HA THR A 37 -4.684 -9.469 -0.704 1.00 0.00 H new ATOM 0 HB THR A 37 -4.666 -12.387 -0.713 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.319 -10.706 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.481 -12.451 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.415 -11.938 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.064 -10.732 1.283 1.00 0.00 H new ATOM 324 N ARG A 38 -2.948 -9.198 -2.865 1.00 0.00 N ATOM 325 CA ARG A 38 -1.717 -8.725 -3.489 1.00 0.00 C ATOM 326 C ARG A 38 -2.032 -7.380 -4.100 1.00 0.00 C ATOM 327 O ARG A 38 -3.088 -7.268 -4.691 1.00 0.00 O ATOM 328 CB ARG A 38 -1.173 -9.674 -4.591 1.00 0.00 C ATOM 329 CG ARG A 38 -1.164 -11.175 -4.179 1.00 0.00 C ATOM 330 CD ARG A 38 -0.262 -12.053 -5.099 1.00 0.00 C ATOM 331 NE ARG A 38 -0.824 -13.406 -5.230 1.00 0.00 N ATOM 332 CZ ARG A 38 -1.649 -13.788 -6.184 1.00 0.00 C ATOM 333 NH1 ARG A 38 -2.121 -12.980 -7.110 1.00 0.00 N ATOM 334 NH2 ARG A 38 -2.032 -15.045 -6.214 1.00 0.00 N ATOM 0 H ARG A 38 -3.798 -8.916 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.939 -8.675 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.779 -9.557 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.158 -9.372 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.817 -11.262 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.184 -11.559 -4.205 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.177 -11.591 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.745 -12.109 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.556 -14.099 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.850 -11.997 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.757 -13.337 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.691 -15.699 -5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.670 -15.366 -6.942 1.00 0.00 H new ATOM 348 N LEU A 39 -1.157 -6.357 -3.951 1.00 0.00 N ATOM 349 CA LEU A 39 -1.489 -5.035 -4.479 1.00 0.00 C ATOM 350 C LEU A 39 -0.208 -4.332 -4.859 1.00 0.00 C ATOM 351 O LEU A 39 0.442 -3.866 -3.942 1.00 0.00 O ATOM 352 CB LEU A 39 -2.394 -4.253 -3.476 1.00 0.00 C ATOM 353 CG LEU A 39 -1.884 -4.135 -1.996 1.00 0.00 C ATOM 354 CD1 LEU A 39 -1.368 -2.702 -1.679 1.00 0.00 C ATOM 355 CD2 LEU A 39 -3.009 -4.487 -0.978 1.00 0.00 C ATOM 0 H LEU A 39 -0.252 -6.426 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.088 -5.110 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.539 -3.245 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.373 -4.732 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.064 -4.846 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.024 -2.660 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.542 -2.456 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.176 -1.984 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.623 -4.395 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.847 -3.803 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.346 -5.510 -1.147 1.00 0.00 H new ATOM 367 N ARG A 40 0.168 -4.286 -6.161 1.00 0.00 N ATOM 368 CA ARG A 40 1.459 -3.742 -6.611 1.00 0.00 C ATOM 369 C ARG A 40 1.388 -2.244 -6.748 1.00 0.00 C ATOM 370 O ARG A 40 0.269 -1.772 -6.686 1.00 0.00 O ATOM 371 CB ARG A 40 1.899 -4.412 -7.955 1.00 0.00 C ATOM 372 CG ARG A 40 1.998 -5.957 -7.772 1.00 0.00 C ATOM 373 CD ARG A 40 2.614 -6.743 -8.962 1.00 0.00 C ATOM 374 NE ARG A 40 2.842 -8.141 -8.557 1.00 0.00 N ATOM 375 CZ ARG A 40 2.819 -9.185 -9.360 1.00 0.00 C ATOM 376 NH1 ARG A 40 2.623 -9.108 -10.658 1.00 0.00 N ATOM 377 NH2 ARG A 40 3.008 -10.377 -8.834 1.00 0.00 N ATOM 0 H ARG A 40 -0.419 -4.626 -6.922 1.00 0.00 H new ATOM 0 HA ARG A 40 2.212 -3.972 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.182 -4.176 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.862 -4.012 -8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.592 -6.161 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.997 -6.346 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.945 -6.706 -9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.554 -6.283 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 40 3.034 -8.315 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.477 -8.200 -11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.617 -9.956 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.166 -10.473 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.996 -11.205 -9.430 1.00 0.00 H new ATOM 391 N VAL A 41 2.499 -1.474 -6.929 1.00 0.00 N ATOM 392 CA VAL A 41 2.395 -0.009 -7.024 1.00 0.00 C ATOM 393 C VAL A 41 3.368 0.585 -8.038 1.00 0.00 C ATOM 394 O VAL A 41 4.235 1.350 -7.648 1.00 0.00 O ATOM 395 CB VAL A 41 2.430 0.686 -5.616 1.00 0.00 C ATOM 396 CG1 VAL A 41 1.402 1.853 -5.535 1.00 0.00 C ATOM 397 CG2 VAL A 41 2.180 -0.294 -4.439 1.00 0.00 C ATOM 0 H VAL A 41 3.447 -1.841 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 41 1.406 0.212 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 41 3.443 1.076 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.451 2.313 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.637 2.598 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.398 1.465 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.218 0.252 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.199 -0.755 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.947 -1.068 -4.441 1.00 0.00 H new ATOM 407 N SER A 42 3.274 0.252 -9.350 1.00 0.00 N ATOM 408 CA SER A 42 4.282 0.743 -10.298 1.00 0.00 C ATOM 409 C SER A 42 4.093 2.207 -10.631 1.00 0.00 C ATOM 410 O SER A 42 3.066 2.526 -11.209 1.00 0.00 O ATOM 411 CB SER A 42 4.380 -0.065 -11.626 1.00 0.00 C ATOM 412 OG SER A 42 4.556 -1.474 -11.401 1.00 0.00 O ATOM 0 H SER A 42 2.540 -0.330 -9.755 1.00 0.00 H new ATOM 0 HA SER A 42 5.221 0.600 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.476 0.096 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.215 0.312 -12.217 1.00 0.00 H new ATOM 0 HG SER A 42 4.610 -1.939 -12.262 1.00 0.00 H new ATOM 418 N VAL A 43 5.070 3.097 -10.297 1.00 0.00 N ATOM 419 CA VAL A 43 4.934 4.522 -10.600 1.00 0.00 C ATOM 420 C VAL A 43 6.285 5.139 -10.885 1.00 0.00 C ATOM 421 O VAL A 43 7.289 4.538 -10.536 1.00 0.00 O ATOM 422 CB VAL A 43 4.275 5.300 -9.422 1.00 0.00 C ATOM 423 CG1 VAL A 43 2.957 4.607 -8.977 1.00 0.00 C ATOM 424 CG2 VAL A 43 5.262 5.451 -8.233 1.00 0.00 C ATOM 0 H VAL A 43 5.939 2.844 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 43 4.295 4.598 -11.479 1.00 0.00 H new ATOM 0 HB VAL A 43 4.026 6.302 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.512 5.166 -8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.260 4.579 -9.815 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.173 3.590 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.777 5.998 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.557 4.464 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.146 5.998 -8.561 1.00 0.00 H new ATOM 434 N ALA A 44 6.319 6.345 -11.497 1.00 0.00 N ATOM 435 CA ALA A 44 7.588 7.044 -11.686 1.00 0.00 C ATOM 436 C ALA A 44 8.018 7.730 -10.407 1.00 0.00 C ATOM 437 O ALA A 44 9.212 7.770 -10.160 1.00 0.00 O ATOM 438 CB ALA A 44 7.465 8.113 -12.802 1.00 0.00 C ATOM 0 H ALA A 44 5.500 6.835 -11.856 1.00 0.00 H new ATOM 0 HA ALA A 44 8.332 6.300 -11.971 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.421 8.621 -12.926 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.186 7.631 -13.739 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.701 8.840 -12.527 1.00 0.00 H new ATOM 444 N ASP A 45 7.072 8.278 -9.605 1.00 0.00 N ATOM 445 CA ASP A 45 7.433 9.025 -8.395 1.00 0.00 C ATOM 446 C ASP A 45 8.505 8.353 -7.555 1.00 0.00 C ATOM 447 O ASP A 45 9.672 8.590 -7.830 1.00 0.00 O ATOM 448 CB ASP A 45 6.151 9.399 -7.594 1.00 0.00 C ATOM 449 CG ASP A 45 6.455 9.989 -6.237 1.00 0.00 C ATOM 450 OD1 ASP A 45 6.782 11.205 -6.173 1.00 0.00 O ATOM 451 OD2 ASP A 45 6.369 9.245 -5.221 1.00 0.00 O ATOM 0 H ASP A 45 6.069 8.213 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 45 7.907 9.954 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.564 10.113 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.535 8.508 -7.467 1.00 0.00 H new ATOM 456 N VAL A 46 8.176 7.556 -6.512 1.00 0.00 N ATOM 457 CA VAL A 46 9.200 6.989 -5.621 1.00 0.00 C ATOM 458 C VAL A 46 10.304 7.958 -5.232 1.00 0.00 C ATOM 459 O VAL A 46 11.359 7.517 -4.806 1.00 0.00 O ATOM 460 CB VAL A 46 9.682 5.575 -6.094 1.00 0.00 C ATOM 461 CG1 VAL A 46 8.568 4.873 -6.918 1.00 0.00 C ATOM 462 CG2 VAL A 46 10.995 5.588 -6.933 1.00 0.00 C ATOM 0 H VAL A 46 7.219 7.297 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 46 8.705 6.812 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 46 9.900 5.027 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.917 3.892 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.677 4.757 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.327 5.477 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.255 4.568 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.848 6.189 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.802 6.016 -6.339 1.00 0.00 H new ATOM 472 N SER A 47 10.105 9.293 -5.345 1.00 0.00 N ATOM 473 CA SER A 47 11.218 10.219 -5.134 1.00 0.00 C ATOM 474 C SER A 47 11.586 10.208 -3.670 1.00 0.00 C ATOM 475 O SER A 47 12.760 10.123 -3.348 1.00 0.00 O ATOM 476 CB SER A 47 10.859 11.655 -5.593 1.00 0.00 C ATOM 477 OG SER A 47 12.001 12.510 -5.414 1.00 0.00 O ATOM 0 H SER A 47 9.213 9.731 -5.573 1.00 0.00 H new ATOM 0 HA SER A 47 12.067 9.894 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.555 11.649 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.014 12.033 -5.018 1.00 0.00 H new ATOM 0 HG SER A 47 11.778 13.419 -5.705 1.00 0.00 H new ATOM 483 N LYS A 48 10.564 10.282 -2.786 1.00 0.00 N ATOM 484 CA LYS A 48 10.786 10.208 -1.339 1.00 0.00 C ATOM 485 C LYS A 48 9.761 9.315 -0.670 1.00 0.00 C ATOM 486 O LYS A 48 9.529 9.464 0.519 1.00 0.00 O ATOM 487 CB LYS A 48 10.813 11.654 -0.757 1.00 0.00 C ATOM 488 CG LYS A 48 9.431 12.295 -0.413 1.00 0.00 C ATOM 489 CD LYS A 48 8.375 12.214 -1.548 1.00 0.00 C ATOM 490 CE LYS A 48 7.086 13.038 -1.262 1.00 0.00 C ATOM 491 NZ LYS A 48 6.301 12.523 -0.116 1.00 0.00 N ATOM 0 H LYS A 48 9.587 10.392 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 48 11.751 9.745 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.420 11.646 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.319 12.300 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.029 11.804 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.586 13.342 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.824 12.568 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.102 11.170 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.362 14.074 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.458 13.037 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.457 13.115 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.009 11.543 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.885 12.548 0.744 1.00 0.00 H new ATOM 505 N VAL A 49 9.124 8.379 -1.412 1.00 0.00 N ATOM 506 CA VAL A 49 7.993 7.646 -0.843 1.00 0.00 C ATOM 507 C VAL A 49 8.472 6.798 0.310 1.00 0.00 C ATOM 508 O VAL A 49 9.653 6.488 0.338 1.00 0.00 O ATOM 509 CB VAL A 49 7.274 6.803 -1.938 1.00 0.00 C ATOM 510 CG1 VAL A 49 8.118 5.555 -2.306 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.840 6.365 -1.531 1.00 0.00 C ATOM 0 H VAL A 49 9.369 8.127 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 49 7.256 8.351 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 49 7.175 7.454 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.600 4.978 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.090 5.872 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.259 4.937 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.395 5.782 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.888 5.758 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.230 7.248 -1.343 1.00 0.00 H new ATOM 521 N ASP A 50 7.585 6.426 1.263 1.00 0.00 N ATOM 522 CA ASP A 50 8.014 5.648 2.425 1.00 0.00 C ATOM 523 C ASP A 50 7.595 4.205 2.254 1.00 0.00 C ATOM 524 O ASP A 50 6.777 3.740 3.030 1.00 0.00 O ATOM 525 CB ASP A 50 7.404 6.308 3.696 1.00 0.00 C ATOM 526 CG ASP A 50 7.896 5.711 4.991 1.00 0.00 C ATOM 527 OD1 ASP A 50 8.661 4.710 4.957 1.00 0.00 O ATOM 528 OD2 ASP A 50 7.519 6.252 6.064 1.00 0.00 O ATOM 0 H ASP A 50 6.590 6.651 1.243 1.00 0.00 H new ATOM 0 HA ASP A 50 9.099 5.646 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.636 7.373 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.319 6.218 3.655 1.00 0.00 H new ATOM 533 N GLN A 51 8.149 3.457 1.268 1.00 0.00 N ATOM 534 CA GLN A 51 7.786 2.045 1.161 1.00 0.00 C ATOM 535 C GLN A 51 8.214 1.352 2.424 1.00 0.00 C ATOM 536 O GLN A 51 7.460 0.528 2.906 1.00 0.00 O ATOM 537 CB GLN A 51 8.447 1.252 0.001 1.00 0.00 C ATOM 538 CG GLN A 51 8.106 1.835 -1.398 1.00 0.00 C ATOM 539 CD GLN A 51 9.308 2.471 -2.055 1.00 0.00 C ATOM 540 OE1 GLN A 51 10.032 3.183 -1.377 1.00 0.00 O ATOM 541 NE2 GLN A 51 9.531 2.266 -3.369 1.00 0.00 N ATOM 0 H GLN A 51 8.815 3.796 0.573 1.00 0.00 H new ATOM 0 HA GLN A 51 6.712 2.052 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.529 1.253 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.121 0.213 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.721 1.041 -2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.313 2.576 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.905 1.665 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.326 2.712 -3.827 1.00 0.00 H new ATOM 550 N ALA A 52 9.410 1.661 2.971 1.00 0.00 N ATOM 551 CA ALA A 52 9.853 1.002 4.198 1.00 0.00 C ATOM 552 C ALA A 52 8.739 0.887 5.219 1.00 0.00 C ATOM 553 O ALA A 52 8.731 -0.083 5.962 1.00 0.00 O ATOM 554 CB ALA A 52 11.040 1.767 4.837 1.00 0.00 C ATOM 0 H ALA A 52 10.063 2.344 2.588 1.00 0.00 H new ATOM 0 HA ALA A 52 10.168 -0.002 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.352 1.258 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.873 1.798 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.730 2.784 5.077 1.00 0.00 H new ATOM 560 N GLY A 53 7.789 1.852 5.260 1.00 0.00 N ATOM 561 CA GLY A 53 6.603 1.693 6.098 1.00 0.00 C ATOM 562 C GLY A 53 5.471 1.039 5.345 1.00 0.00 C ATOM 563 O GLY A 53 4.846 0.155 5.904 1.00 0.00 O ATOM 0 H GLY A 53 7.828 2.724 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.853 1.092 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.282 2.669 6.463 1.00 0.00 H new ATOM 567 N LEU A 54 5.150 1.437 4.094 1.00 0.00 N ATOM 568 CA LEU A 54 3.929 0.916 3.468 1.00 0.00 C ATOM 569 C LEU A 54 4.076 -0.572 3.345 1.00 0.00 C ATOM 570 O LEU A 54 3.091 -1.280 3.425 1.00 0.00 O ATOM 571 CB LEU A 54 3.602 1.499 2.062 1.00 0.00 C ATOM 572 CG LEU A 54 2.068 1.628 1.759 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.859 2.878 0.880 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.479 0.405 0.984 1.00 0.00 C ATOM 0 H LEU A 54 5.694 2.086 3.526 1.00 0.00 H new ATOM 0 HA LEU A 54 3.101 1.218 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.062 2.483 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.059 0.864 1.303 1.00 0.00 H new ATOM 0 HG LEU A 54 1.556 1.688 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.799 2.991 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.213 3.761 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.418 2.767 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.415 0.563 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.992 0.299 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.619 -0.501 1.573 1.00 0.00 H new ATOM 586 N LYS A 55 5.310 -1.065 3.156 1.00 0.00 N ATOM 587 CA LYS A 55 5.518 -2.493 3.012 1.00 0.00 C ATOM 588 C LYS A 55 5.009 -3.317 4.162 1.00 0.00 C ATOM 589 O LYS A 55 4.302 -4.280 3.921 1.00 0.00 O ATOM 590 CB LYS A 55 7.007 -2.806 2.676 1.00 0.00 C ATOM 591 CG LYS A 55 8.071 -2.392 3.733 1.00 0.00 C ATOM 592 CD LYS A 55 8.432 -3.503 4.763 1.00 0.00 C ATOM 593 CE LYS A 55 9.822 -4.151 4.493 1.00 0.00 C ATOM 594 NZ LYS A 55 9.887 -4.888 3.210 1.00 0.00 N ATOM 0 H LYS A 55 6.157 -0.499 3.102 1.00 0.00 H new ATOM 0 HA LYS A 55 4.901 -2.800 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.098 -3.879 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.253 -2.312 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.980 -2.088 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.705 -1.519 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.424 -3.078 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.665 -4.277 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.585 -3.372 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.061 -4.834 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.837 -5.294 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.181 -5.652 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.689 -4.236 2.425 1.00 0.00 H new ATOM 608 N LYS A 56 5.373 -2.940 5.401 1.00 0.00 N ATOM 609 CA LYS A 56 4.987 -3.701 6.590 1.00 0.00 C ATOM 610 C LYS A 56 3.692 -3.158 7.151 1.00 0.00 C ATOM 611 O LYS A 56 2.808 -3.927 7.494 1.00 0.00 O ATOM 612 CB LYS A 56 6.103 -3.714 7.683 1.00 0.00 C ATOM 613 CG LYS A 56 6.618 -2.318 8.151 1.00 0.00 C ATOM 614 CD LYS A 56 7.824 -2.403 9.127 1.00 0.00 C ATOM 615 CE LYS A 56 7.472 -2.972 10.529 1.00 0.00 C ATOM 616 NZ LYS A 56 6.406 -2.202 11.215 1.00 0.00 N ATOM 0 H LYS A 56 5.934 -2.112 5.599 1.00 0.00 H new ATOM 0 HA LYS A 56 4.842 -4.737 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.725 -4.250 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.951 -4.283 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.907 -1.734 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.803 -1.782 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.597 -3.027 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.249 -1.407 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.154 -4.009 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.368 -2.974 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.319 -2.529 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.648 -1.191 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.502 -2.345 10.722 1.00 0.00 H new ATOM 630 N LEU A 57 3.580 -1.817 7.255 1.00 0.00 N ATOM 631 CA LEU A 57 2.421 -1.187 7.876 1.00 0.00 C ATOM 632 C LEU A 57 1.290 -1.103 6.873 1.00 0.00 C ATOM 633 O LEU A 57 0.148 -1.094 7.293 1.00 0.00 O ATOM 634 CB LEU A 57 2.900 0.165 8.484 1.00 0.00 C ATOM 635 CG LEU A 57 1.833 1.016 9.229 1.00 0.00 C ATOM 636 CD1 LEU A 57 1.016 1.861 8.221 1.00 0.00 C ATOM 637 CD2 LEU A 57 0.928 0.205 10.193 1.00 0.00 C ATOM 0 H LEU A 57 4.282 -1.160 6.914 1.00 0.00 H new ATOM 0 HA LEU A 57 2.002 -1.766 8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.713 -0.044 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.316 0.771 7.679 1.00 0.00 H new ATOM 0 HG LEU A 57 2.381 1.692 9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.273 2.451 8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.686 2.528 7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.513 1.200 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.213 0.875 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.390 -0.559 9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.544 -0.272 10.956 1.00 0.00 H new ATOM 649 N GLY A 58 1.536 -1.052 5.546 1.00 0.00 N ATOM 650 CA GLY A 58 0.438 -1.024 4.577 1.00 0.00 C ATOM 651 C GLY A 58 0.172 -2.429 4.087 1.00 0.00 C ATOM 652 O GLY A 58 -0.882 -2.968 4.386 1.00 0.00 O ATOM 0 H GLY A 58 2.469 -1.030 5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.459 -0.611 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.693 -0.376 3.739 1.00 0.00 H new ATOM 656 N ALA A 59 1.122 -3.038 3.338 1.00 0.00 N ATOM 657 CA ALA A 59 0.971 -4.407 2.851 1.00 0.00 C ATOM 658 C ALA A 59 1.739 -5.296 3.814 1.00 0.00 C ATOM 659 O ALA A 59 1.812 -4.917 4.972 1.00 0.00 O ATOM 660 CB ALA A 59 1.496 -4.439 1.389 1.00 0.00 C ATOM 0 H ALA A 59 1.998 -2.592 3.064 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.057 -4.767 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.399 -5.449 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.913 -3.750 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.544 -4.141 1.372 1.00 0.00 H new ATOM 666 N ALA A 60 2.347 -6.436 3.395 1.00 0.00 N ATOM 667 CA ALA A 60 3.270 -7.176 4.269 1.00 0.00 C ATOM 668 C ALA A 60 4.148 -8.098 3.451 1.00 0.00 C ATOM 669 O ALA A 60 4.136 -9.301 3.661 1.00 0.00 O ATOM 670 CB ALA A 60 2.588 -7.956 5.419 1.00 0.00 C ATOM 0 H ALA A 60 2.213 -6.850 2.473 1.00 0.00 H new ATOM 0 HA ALA A 60 3.879 -6.415 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.346 -8.470 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.041 -7.261 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.896 -8.687 5.002 1.00 0.00 H new ATOM 676 N GLY A 61 4.929 -7.527 2.507 1.00 0.00 N ATOM 677 CA GLY A 61 5.864 -8.331 1.724 1.00 0.00 C ATOM 678 C GLY A 61 6.029 -7.713 0.361 1.00 0.00 C ATOM 679 O GLY A 61 5.518 -8.281 -0.590 1.00 0.00 O ATOM 0 H GLY A 61 4.925 -6.533 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.828 -8.386 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.494 -9.352 1.631 1.00 0.00 H new ATOM 683 N VAL A 62 6.720 -6.553 0.255 1.00 0.00 N ATOM 684 CA VAL A 62 6.815 -5.863 -1.029 1.00 0.00 C ATOM 685 C VAL A 62 8.208 -5.987 -1.561 1.00 0.00 C ATOM 686 O VAL A 62 9.072 -6.510 -0.876 1.00 0.00 O ATOM 687 CB VAL A 62 6.410 -4.359 -0.936 1.00 0.00 C ATOM 688 CG1 VAL A 62 5.195 -4.176 0.006 1.00 0.00 C ATOM 689 CG2 VAL A 62 7.594 -3.399 -0.628 1.00 0.00 C ATOM 0 H VAL A 62 7.204 -6.095 1.027 1.00 0.00 H new ATOM 0 HA VAL A 62 6.108 -6.339 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 62 6.095 -4.054 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.929 -3.120 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.348 -4.745 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.451 -4.534 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.228 -2.373 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.042 -3.669 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.343 -3.480 -1.416 1.00 0.00 H new ATOM 699 N VAL A 63 8.414 -5.485 -2.797 1.00 0.00 N ATOM 700 CA VAL A 63 9.747 -5.479 -3.380 1.00 0.00 C ATOM 701 C VAL A 63 9.818 -4.237 -4.244 1.00 0.00 C ATOM 702 O VAL A 63 8.843 -3.955 -4.922 1.00 0.00 O ATOM 703 CB VAL A 63 10.050 -6.828 -4.111 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.772 -7.692 -4.294 1.00 0.00 C ATOM 705 CG2 VAL A 63 10.782 -6.601 -5.462 1.00 0.00 C ATOM 0 H VAL A 63 7.684 -5.090 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 63 10.539 -5.424 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 63 10.726 -7.389 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.030 -8.619 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.346 -7.923 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.042 -7.141 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.974 -7.563 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.159 -5.991 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.728 -6.090 -5.282 1.00 0.00 H new ATOM 715 N VAL A 64 10.941 -3.482 -4.210 1.00 0.00 N ATOM 716 CA VAL A 64 11.040 -2.233 -4.960 1.00 0.00 C ATOM 717 C VAL A 64 11.974 -2.501 -6.112 1.00 0.00 C ATOM 718 O VAL A 64 12.979 -3.154 -5.882 1.00 0.00 O ATOM 719 CB VAL A 64 11.575 -1.114 -4.023 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.767 0.222 -4.794 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.630 -0.912 -2.805 1.00 0.00 C ATOM 0 H VAL A 64 11.775 -3.722 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 64 10.075 -1.896 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 64 12.550 -1.431 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.142 0.985 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.482 0.075 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.811 0.544 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.026 -0.124 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.638 -0.629 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.563 -1.841 -2.239 1.00 0.00 H new ATOM 731 N ALA A 65 11.669 -2.027 -7.345 1.00 0.00 N ATOM 732 CA ALA A 65 12.536 -2.317 -8.486 1.00 0.00 C ATOM 733 C ALA A 65 12.505 -1.138 -9.434 1.00 0.00 C ATOM 734 O ALA A 65 11.609 -1.122 -10.260 1.00 0.00 O ATOM 735 CB ALA A 65 12.008 -3.601 -9.180 1.00 0.00 C ATOM 0 H ALA A 65 10.850 -1.459 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 65 13.566 -2.479 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.640 -3.838 -10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.028 -4.431 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.985 -3.437 -9.519 1.00 0.00 H new ATOM 741 N GLY A 66 13.442 -0.160 -9.332 1.00 0.00 N ATOM 742 CA GLY A 66 13.392 1.030 -10.188 1.00 0.00 C ATOM 743 C GLY A 66 12.827 0.710 -11.554 1.00 0.00 C ATOM 744 O GLY A 66 13.499 -0.023 -12.259 1.00 0.00 O ATOM 0 H GLY A 66 14.223 -0.180 -8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.781 1.796 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.395 1.444 -10.296 1.00 0.00 H new ATOM 748 N SER A 67 11.611 1.214 -11.894 1.00 0.00 N ATOM 749 CA SER A 67 10.836 0.751 -13.055 1.00 0.00 C ATOM 750 C SER A 67 9.492 0.221 -12.591 1.00 0.00 C ATOM 751 O SER A 67 8.561 0.213 -13.382 1.00 0.00 O ATOM 752 CB SER A 67 11.466 -0.322 -13.989 1.00 0.00 C ATOM 753 OG SER A 67 11.763 -1.550 -13.302 1.00 0.00 O ATOM 0 H SER A 67 11.148 1.953 -11.364 1.00 0.00 H new ATOM 0 HA SER A 67 10.779 1.650 -13.669 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.782 -0.527 -14.813 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.382 0.076 -14.426 1.00 0.00 H new ATOM 0 HG SER A 67 12.610 -1.457 -12.817 1.00 0.00 H new ATOM 759 N GLY A 68 9.357 -0.225 -11.321 1.00 0.00 N ATOM 760 CA GLY A 68 8.072 -0.721 -10.847 1.00 0.00 C ATOM 761 C GLY A 68 8.209 -1.194 -9.421 1.00 0.00 C ATOM 762 O GLY A 68 9.327 -1.368 -8.962 1.00 0.00 O ATOM 0 H GLY A 68 10.109 -0.247 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.321 0.067 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.730 -1.539 -11.481 1.00 0.00 H new ATOM 766 N VAL A 69 7.081 -1.405 -8.713 1.00 0.00 N ATOM 767 CA VAL A 69 7.127 -1.785 -7.302 1.00 0.00 C ATOM 768 C VAL A 69 6.074 -2.846 -7.160 1.00 0.00 C ATOM 769 O VAL A 69 4.998 -2.641 -7.697 1.00 0.00 O ATOM 770 CB VAL A 69 6.825 -0.574 -6.371 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.817 -0.964 -4.869 1.00 0.00 C ATOM 772 CG2 VAL A 69 7.857 0.548 -6.666 1.00 0.00 C ATOM 0 H VAL A 69 6.140 -1.318 -9.098 1.00 0.00 H new ATOM 0 HA VAL A 69 8.116 -2.138 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 69 5.819 -0.213 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.601 -0.082 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.052 -1.720 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.792 -1.364 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.658 1.404 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.864 0.176 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.775 0.853 -7.709 1.00 0.00 H new ATOM 782 N GLN A 70 6.350 -3.957 -6.445 1.00 0.00 N ATOM 783 CA GLN A 70 5.328 -4.971 -6.237 1.00 0.00 C ATOM 784 C GLN A 70 4.913 -4.748 -4.809 1.00 0.00 C ATOM 785 O GLN A 70 5.644 -4.043 -4.136 1.00 0.00 O ATOM 786 CB GLN A 70 5.774 -6.423 -6.569 1.00 0.00 C ATOM 787 CG GLN A 70 7.102 -6.512 -7.371 1.00 0.00 C ATOM 788 CD GLN A 70 6.995 -5.863 -8.730 1.00 0.00 C ATOM 789 OE1 GLN A 70 7.418 -4.730 -8.890 1.00 0.00 O ATOM 790 NE2 GLN A 70 6.436 -6.564 -9.741 1.00 0.00 N ATOM 0 H GLN A 70 7.253 -4.161 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 70 4.494 -4.868 -6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.887 -6.979 -5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.984 -6.913 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.899 -6.032 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.382 -7.559 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.091 -7.510 -9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.359 -6.147 -10.669 1.00 0.00 H new ATOM 799 N ALA A 71 3.791 -5.307 -4.310 1.00 0.00 N ATOM 800 CA ALA A 71 3.422 -5.106 -2.918 1.00 0.00 C ATOM 801 C ALA A 71 2.463 -6.195 -2.508 1.00 0.00 C ATOM 802 O ALA A 71 1.402 -6.254 -3.104 1.00 0.00 O ATOM 803 CB ALA A 71 3.008 -3.655 -2.548 1.00 0.00 C ATOM 0 H ALA A 71 3.146 -5.887 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 71 4.315 -5.207 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.751 -3.609 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.837 -2.977 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.144 -3.360 -3.144 1.00 0.00 H new ATOM 809 N ILE A 72 2.850 -7.079 -1.553 1.00 0.00 N ATOM 810 CA ILE A 72 2.122 -8.320 -1.315 1.00 0.00 C ATOM 811 C ILE A 72 1.927 -8.474 0.178 1.00 0.00 C ATOM 812 O ILE A 72 2.665 -7.837 0.914 1.00 0.00 O ATOM 813 CB ILE A 72 2.934 -9.518 -1.931 1.00 0.00 C ATOM 814 CG1 ILE A 72 2.342 -10.061 -3.266 1.00 0.00 C ATOM 815 CG2 ILE A 72 3.135 -10.700 -0.936 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.734 -9.228 -4.517 1.00 0.00 C ATOM 0 H ILE A 72 3.659 -6.943 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 72 1.142 -8.306 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 72 3.907 -9.080 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.676 -11.089 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.255 -10.087 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.702 -11.493 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.680 -10.349 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.163 -11.086 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.283 -9.671 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.376 -8.205 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.819 -9.223 -4.625 1.00 0.00 H new ATOM 828 N PHE A 73 0.962 -9.317 0.627 1.00 0.00 N ATOM 829 CA PHE A 73 0.781 -9.577 2.060 1.00 0.00 C ATOM 830 C PHE A 73 0.961 -11.042 2.410 1.00 0.00 C ATOM 831 O PHE A 73 1.752 -11.337 3.293 1.00 0.00 O ATOM 832 CB PHE A 73 -0.641 -9.117 2.484 1.00 0.00 C ATOM 833 CG PHE A 73 -0.662 -8.589 3.917 1.00 0.00 C ATOM 834 CD1 PHE A 73 -0.468 -9.452 5.002 1.00 0.00 C ATOM 835 CD2 PHE A 73 -0.873 -7.227 4.148 1.00 0.00 C ATOM 836 CE1 PHE A 73 -0.343 -8.928 6.284 1.00 0.00 C ATOM 837 CE2 PHE A 73 -0.775 -6.705 5.443 1.00 0.00 C ATOM 838 CZ PHE A 73 -0.552 -7.569 6.518 1.00 0.00 C ATOM 0 H PHE A 73 0.312 -9.816 0.020 1.00 0.00 H new ATOM 0 HA PHE A 73 1.546 -9.017 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.989 -8.339 1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.335 -9.952 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.416 -10.519 4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.113 -6.573 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.082 -9.579 7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.871 -5.642 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.541 -7.186 7.528 1.00 0.00 H new ATOM 848 N GLY A 74 0.209 -11.955 1.743 1.00 0.00 N ATOM 849 CA GLY A 74 0.203 -13.373 2.102 1.00 0.00 C ATOM 850 C GLY A 74 -1.201 -13.806 2.480 1.00 0.00 C ATOM 851 O GLY A 74 -1.808 -14.565 1.740 1.00 0.00 O ATOM 0 H GLY A 74 -0.396 -11.722 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.564 -13.970 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.883 -13.549 2.935 1.00 0.00 H new ATOM 855 N THR A 75 -1.715 -13.326 3.638 1.00 0.00 N ATOM 856 CA THR A 75 -3.019 -13.766 4.158 1.00 0.00 C ATOM 857 C THR A 75 -3.555 -12.799 5.197 1.00 0.00 C ATOM 858 O THR A 75 -4.696 -12.384 5.068 1.00 0.00 O ATOM 859 CB THR A 75 -2.947 -15.207 4.729 1.00 0.00 C ATOM 860 OG1 THR A 75 -2.796 -16.108 3.617 1.00 0.00 O ATOM 861 CG2 THR A 75 -4.234 -15.570 5.521 1.00 0.00 C ATOM 0 H THR A 75 -1.243 -12.637 4.223 1.00 0.00 H new ATOM 0 HA THR A 75 -3.714 -13.775 3.319 1.00 0.00 H new ATOM 0 HB THR A 75 -2.106 -15.282 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.805 -15.599 2.780 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.149 -16.586 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.358 -14.875 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.099 -15.504 4.861 1.00 0.00 H new ATOM 869 N LYS A 76 -2.764 -12.394 6.220 1.00 0.00 N ATOM 870 CA LYS A 76 -3.232 -11.375 7.165 1.00 0.00 C ATOM 871 C LYS A 76 -3.527 -10.032 6.500 1.00 0.00 C ATOM 872 O LYS A 76 -3.794 -9.106 7.250 1.00 0.00 O ATOM 873 CB LYS A 76 -2.259 -11.211 8.381 1.00 0.00 C ATOM 874 CG LYS A 76 -2.364 -12.294 9.493 1.00 0.00 C ATOM 875 CD LYS A 76 -1.917 -13.712 9.043 1.00 0.00 C ATOM 876 CE LYS A 76 -1.781 -14.666 10.264 1.00 0.00 C ATOM 877 NZ LYS A 76 -1.616 -16.076 9.843 1.00 0.00 N ATOM 0 H LYS A 76 -1.826 -12.751 6.402 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.183 -11.743 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.236 -11.205 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.437 -10.236 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.756 -11.986 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.396 -12.343 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.641 -14.119 8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.963 -13.648 8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.925 -14.364 10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.665 -14.576 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.529 -16.681 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.444 -16.372 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.759 -16.166 9.261 1.00 0.00 H new ATOM 891 N SER A 77 -3.538 -9.831 5.154 1.00 0.00 N ATOM 892 CA SER A 77 -3.988 -8.542 4.615 1.00 0.00 C ATOM 893 C SER A 77 -5.295 -8.143 5.248 1.00 0.00 C ATOM 894 O SER A 77 -5.396 -7.017 5.699 1.00 0.00 O ATOM 895 CB SER A 77 -4.240 -8.535 3.081 1.00 0.00 C ATOM 896 OG SER A 77 -4.416 -7.210 2.544 1.00 0.00 O ATOM 0 H SER A 77 -3.252 -10.519 4.458 1.00 0.00 H new ATOM 0 HA SER A 77 -3.172 -7.855 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.401 -9.016 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.126 -9.130 2.862 1.00 0.00 H new ATOM 0 HG SER A 77 -4.569 -7.266 1.578 1.00 0.00 H new ATOM 902 N ASP A 78 -6.309 -9.035 5.295 1.00 0.00 N ATOM 903 CA ASP A 78 -7.605 -8.626 5.836 1.00 0.00 C ATOM 904 C ASP A 78 -7.441 -7.912 7.162 1.00 0.00 C ATOM 905 O ASP A 78 -8.125 -6.929 7.397 1.00 0.00 O ATOM 906 CB ASP A 78 -8.543 -9.848 6.010 1.00 0.00 C ATOM 907 CG ASP A 78 -8.746 -10.555 4.692 1.00 0.00 C ATOM 908 OD1 ASP A 78 -9.153 -9.878 3.708 1.00 0.00 O ATOM 909 OD2 ASP A 78 -8.493 -11.789 4.622 1.00 0.00 O ATOM 0 H ASP A 78 -6.253 -10.002 4.977 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.055 -7.936 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.117 -10.539 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.505 -9.521 6.405 1.00 0.00 H new ATOM 914 N ASN A 79 -6.528 -8.388 8.039 1.00 0.00 N ATOM 915 CA ASN A 79 -6.319 -7.712 9.320 1.00 0.00 C ATOM 916 C ASN A 79 -5.831 -6.298 9.119 1.00 0.00 C ATOM 917 O ASN A 79 -6.359 -5.396 9.749 1.00 0.00 O ATOM 918 CB ASN A 79 -5.274 -8.454 10.195 1.00 0.00 C ATOM 919 CG ASN A 79 -5.069 -7.735 11.508 1.00 0.00 C ATOM 920 OD1 ASN A 79 -5.868 -7.932 12.409 1.00 0.00 O ATOM 921 ND2 ASN A 79 -4.018 -6.894 11.648 1.00 0.00 N ATOM 0 H ASN A 79 -5.946 -9.211 7.883 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.286 -7.708 9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.608 -9.475 10.382 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.327 -8.522 9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.874 -6.400 12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.370 -6.754 10.873 1.00 0.00 H new ATOM 928 N LEU A 80 -4.808 -6.084 8.263 1.00 0.00 N ATOM 929 CA LEU A 80 -4.246 -4.738 8.132 1.00 0.00 C ATOM 930 C LEU A 80 -5.201 -3.904 7.302 1.00 0.00 C ATOM 931 O LEU A 80 -5.581 -2.813 7.695 1.00 0.00 O ATOM 932 CB LEU A 80 -2.802 -4.762 7.532 1.00 0.00 C ATOM 933 CG LEU A 80 -1.804 -3.860 8.313 1.00 0.00 C ATOM 934 CD1 LEU A 80 -0.333 -3.983 7.830 1.00 0.00 C ATOM 935 CD2 LEU A 80 -2.248 -2.384 8.212 1.00 0.00 C ATOM 0 H LEU A 80 -4.375 -6.798 7.678 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.140 -4.288 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.432 -5.787 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.841 -4.436 6.493 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.825 -4.209 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.301 -3.324 8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.004 -5.013 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.270 -3.699 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.547 -1.755 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.266 -2.080 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.245 -2.274 8.639 1.00 0.00 H new ATOM 947 N LYS A 81 -5.607 -4.446 6.135 1.00 0.00 N ATOM 948 CA LYS A 81 -6.606 -3.798 5.284 1.00 0.00 C ATOM 949 C LYS A 81 -7.813 -3.367 6.098 1.00 0.00 C ATOM 950 O LYS A 81 -8.376 -2.323 5.810 1.00 0.00 O ATOM 951 CB LYS A 81 -7.032 -4.766 4.140 1.00 0.00 C ATOM 952 CG LYS A 81 -7.649 -4.040 2.915 1.00 0.00 C ATOM 953 CD LYS A 81 -7.955 -5.019 1.742 1.00 0.00 C ATOM 954 CE LYS A 81 -8.964 -6.136 2.129 1.00 0.00 C ATOM 955 NZ LYS A 81 -9.489 -6.844 0.938 1.00 0.00 N ATOM 0 H LYS A 81 -5.254 -5.330 5.768 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.164 -2.904 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.162 -5.337 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.755 -5.482 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.569 -3.539 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.963 -3.266 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.353 -4.454 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.025 -5.478 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.477 -6.852 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.793 -5.699 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.158 -7.581 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.976 -6.166 0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.701 -7.283 0.420 1.00 0.00 H new ATOM 969 N THR A 82 -8.232 -4.129 7.136 1.00 0.00 N ATOM 970 CA THR A 82 -9.309 -3.654 8.013 1.00 0.00 C ATOM 971 C THR A 82 -8.909 -2.336 8.642 1.00 0.00 C ATOM 972 O THR A 82 -9.731 -1.434 8.681 1.00 0.00 O ATOM 973 CB THR A 82 -9.708 -4.705 9.094 1.00 0.00 C ATOM 974 OG1 THR A 82 -10.580 -5.692 8.513 1.00 0.00 O ATOM 975 CG2 THR A 82 -10.445 -4.076 10.305 1.00 0.00 C ATOM 0 H THR A 82 -7.851 -5.044 7.375 1.00 0.00 H new ATOM 0 HA THR A 82 -10.198 -3.502 7.401 1.00 0.00 H new ATOM 0 HB THR A 82 -8.778 -5.149 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.048 -6.342 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.697 -4.856 11.023 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.799 -3.339 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.358 -3.590 9.962 1.00 0.00 H new ATOM 983 N GLU A 83 -7.662 -2.175 9.143 1.00 0.00 N ATOM 984 CA GLU A 83 -7.265 -0.866 9.675 1.00 0.00 C ATOM 985 C GLU A 83 -7.511 0.194 8.621 1.00 0.00 C ATOM 986 O GLU A 83 -7.880 1.307 8.961 1.00 0.00 O ATOM 987 CB GLU A 83 -5.783 -0.776 10.174 1.00 0.00 C ATOM 988 CG GLU A 83 -4.853 0.038 9.227 1.00 0.00 C ATOM 989 CD GLU A 83 -3.404 0.030 9.626 1.00 0.00 C ATOM 990 OE1 GLU A 83 -3.078 -0.411 10.762 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.573 0.473 8.782 1.00 0.00 O ATOM 0 H GLU A 83 -6.948 -2.902 9.187 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.880 -0.705 10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.769 -0.319 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.384 -1.784 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.942 -0.363 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.203 1.070 9.192 1.00 0.00 H new ATOM 998 N MET A 84 -7.289 -0.127 7.324 1.00 0.00 N ATOM 999 CA MET A 84 -7.468 0.884 6.288 1.00 0.00 C ATOM 1000 C MET A 84 -8.941 1.212 6.243 1.00 0.00 C ATOM 1001 O MET A 84 -9.271 2.386 6.264 1.00 0.00 O ATOM 1002 CB MET A 84 -6.945 0.451 4.889 1.00 0.00 C ATOM 1003 CG MET A 84 -5.429 0.122 4.921 1.00 0.00 C ATOM 1004 SD MET A 84 -4.944 -0.596 3.319 1.00 0.00 S ATOM 1005 CE MET A 84 -3.234 -1.055 3.731 1.00 0.00 C ATOM 0 H MET A 84 -6.997 -1.046 6.991 1.00 0.00 H new ATOM 0 HA MET A 84 -6.869 1.759 6.542 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.500 -0.423 4.547 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.130 1.248 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.852 1.025 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.213 -0.578 5.728 1.00 0.00 H new ATOM 0 HE1 MET A 84 -2.762 -1.517 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 84 -2.676 -0.163 4.015 1.00 0.00 H new ATOM 0 HE3 MET A 84 -3.237 -1.761 4.562 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.845 0.204 6.207 1.00 0.00 N ATOM 1016 CA ASP A 85 -11.277 0.509 6.246 1.00 0.00 C ATOM 1017 C ASP A 85 -11.540 1.539 7.325 1.00 0.00 C ATOM 1018 O ASP A 85 -12.160 2.551 7.040 1.00 0.00 O ATOM 1019 CB ASP A 85 -12.162 -0.742 6.500 1.00 0.00 C ATOM 1020 CG ASP A 85 -13.613 -0.350 6.632 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -14.133 0.325 5.703 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -14.243 -0.707 7.665 1.00 0.00 O ATOM 0 H ASP A 85 -9.612 -0.788 6.153 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.548 0.895 5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.044 -1.450 5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.833 -1.249 7.407 1.00 0.00 H new ATOM 1027 N GLU A 86 -11.053 1.291 8.564 1.00 0.00 N ATOM 1028 CA GLU A 86 -11.258 2.247 9.655 1.00 0.00 C ATOM 1029 C GLU A 86 -10.917 3.654 9.221 1.00 0.00 C ATOM 1030 O GLU A 86 -11.715 4.539 9.477 1.00 0.00 O ATOM 1031 CB GLU A 86 -10.444 1.899 10.943 1.00 0.00 C ATOM 1032 CG GLU A 86 -11.301 1.180 12.020 1.00 0.00 C ATOM 1033 CD GLU A 86 -12.100 2.194 12.801 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -11.500 2.854 13.694 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -13.323 2.346 12.531 1.00 0.00 O ATOM 0 H GLU A 86 -10.529 0.455 8.820 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.317 2.180 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.600 1.264 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.032 2.815 11.365 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.971 0.463 11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.656 0.615 12.693 1.00 0.00 H new ATOM 1042 N TYR A 87 -9.753 3.900 8.583 1.00 0.00 N ATOM 1043 CA TYR A 87 -9.400 5.272 8.209 1.00 0.00 C ATOM 1044 C TYR A 87 -10.480 5.979 7.442 1.00 0.00 C ATOM 1045 O TYR A 87 -10.821 7.098 7.789 1.00 0.00 O ATOM 1046 CB TYR A 87 -8.162 5.302 7.281 1.00 0.00 C ATOM 1047 CG TYR A 87 -7.901 6.665 6.594 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -7.911 7.870 7.311 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -7.634 6.728 5.217 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -7.468 9.058 6.727 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -7.215 7.918 4.617 1.00 0.00 C ATOM 1052 CZ TYR A 87 -7.064 9.075 5.388 1.00 0.00 C ATOM 1053 OH TYR A 87 -6.517 10.238 4.845 1.00 0.00 O ATOM 0 H TYR A 87 -9.068 3.189 8.326 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.221 5.769 9.162 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.282 5.030 7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.283 4.540 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.267 7.879 8.331 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.755 5.842 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.437 9.966 7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.008 7.944 3.557 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.287 10.083 3.905 1.00 0.00 H new ATOM 1063 N ILE A 88 -11.007 5.347 6.375 1.00 0.00 N ATOM 1064 CA ILE A 88 -11.966 6.052 5.535 1.00 0.00 C ATOM 1065 C ILE A 88 -13.197 6.285 6.378 1.00 0.00 C ATOM 1066 O ILE A 88 -13.759 7.367 6.322 1.00 0.00 O ATOM 1067 CB ILE A 88 -12.298 5.301 4.209 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -11.000 4.894 3.435 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -13.205 6.196 3.316 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -10.791 3.356 3.375 1.00 0.00 C ATOM 0 H ILE A 88 -10.791 4.391 6.091 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.535 6.997 5.203 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.828 4.382 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.049 5.289 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.137 5.355 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.436 5.670 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.130 6.420 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.685 7.126 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.876 3.134 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.712 2.960 4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.638 2.893 2.869 1.00 0.00 H new ATOM 1082 N ARG A 89 -13.623 5.287 7.185 1.00 0.00 N ATOM 1083 CA ARG A 89 -14.768 5.508 8.066 1.00 0.00 C ATOM 1084 C ARG A 89 -14.449 6.592 9.082 1.00 0.00 C ATOM 1085 O ARG A 89 -15.339 7.340 9.451 1.00 0.00 O ATOM 1086 CB ARG A 89 -15.198 4.194 8.780 1.00 0.00 C ATOM 1087 CG ARG A 89 -15.419 3.014 7.779 1.00 0.00 C ATOM 1088 CD ARG A 89 -16.730 2.210 8.013 1.00 0.00 C ATOM 1089 NE ARG A 89 -16.857 1.829 9.426 1.00 0.00 N ATOM 1090 CZ ARG A 89 -17.642 2.407 10.313 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -18.422 3.443 10.069 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -17.651 1.924 11.537 1.00 0.00 N ATOM 0 H ARG A 89 -13.204 4.359 7.238 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.606 5.838 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.435 3.912 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.118 4.371 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.427 3.411 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.572 2.332 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -17.589 2.810 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -16.732 1.317 7.388 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.287 1.048 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -18.446 3.855 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.001 3.832 10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.062 1.126 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.247 2.348 12.248 1.00 0.00 H new ATOM 1106 N ASN A 90 -13.180 6.695 9.540 1.00 0.00 N ATOM 1107 CA ASN A 90 -12.779 7.741 10.484 1.00 0.00 C ATOM 1108 C ASN A 90 -12.597 9.077 9.794 1.00 0.00 C ATOM 1109 O ASN A 90 -12.670 10.087 10.476 1.00 0.00 O ATOM 1110 CB ASN A 90 -11.438 7.352 11.168 1.00 0.00 C ATOM 1111 CG ASN A 90 -10.995 8.365 12.197 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -10.054 9.101 11.941 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -11.655 8.428 13.375 1.00 0.00 N ATOM 0 H ASN A 90 -12.426 6.065 9.267 1.00 0.00 H new ATOM 0 HA ASN A 90 -13.574 7.833 11.224 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.547 6.378 11.646 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.663 7.249 10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.371 9.105 14.083 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.437 7.798 13.556 1.00 0.00 H new ATOM 1120 N PHE A 91 -12.352 9.104 8.462 1.00 0.00 N ATOM 1121 CA PHE A 91 -12.116 10.360 7.746 1.00 0.00 C ATOM 1122 C PHE A 91 -13.086 10.444 6.586 1.00 0.00 C ATOM 1123 O PHE A 91 -12.724 10.930 5.526 1.00 0.00 O ATOM 1124 CB PHE A 91 -10.620 10.384 7.308 1.00 0.00 C ATOM 1125 CG PHE A 91 -9.920 11.693 7.694 1.00 0.00 C ATOM 1126 CD1 PHE A 91 -9.447 11.856 9.001 1.00 0.00 C ATOM 1127 CD2 PHE A 91 -9.739 12.721 6.761 1.00 0.00 C ATOM 1128 CE1 PHE A 91 -8.753 13.015 9.362 1.00 0.00 C ATOM 1129 CE2 PHE A 91 -9.052 13.883 7.122 1.00 0.00 C ATOM 1130 CZ PHE A 91 -8.550 14.027 8.420 1.00 0.00 C ATOM 0 H PHE A 91 -12.315 8.271 7.874 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.292 11.237 8.368 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.096 9.546 7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.558 10.246 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.619 11.082 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.131 12.616 5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.374 13.128 10.367 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.908 14.671 6.398 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.006 14.919 8.694 1.00 0.00 H new ATOM 1140 N GLY A 92 -14.338 9.960 6.771 1.00 0.00 N ATOM 1141 CA GLY A 92 -15.283 9.930 5.658 1.00 0.00 C ATOM 1142 C GLY A 92 -16.459 9.048 5.981 1.00 0.00 C ATOM 1143 O GLY A 92 -17.304 8.793 5.133 1.00 0.00 O ATOM 0 H GLY A 92 -14.697 9.599 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.629 10.941 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.784 9.565 4.761 1.00 0.00 H new TER 1147 GLY A 92