USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 23 TYR OH : rot 56:sc= -0.731! USER MOD Set 1.2: A 112 HIS : no HD1:sc= -17! C(o=-18!,f=-20!) USER MOD Set 2.1: A 18 TYR OH : rot 130:sc= -0.0657 USER MOD Set 2.2: A 92 ASN : amide:sc= -0.0727 X(o=-0.14,f=-0.011) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 168:sc= -1.85 (180deg=-2.31) USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 1 PHE N :NH3+ -138:sc= 0.688 (180deg=0.0495) USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= -0.4 (180deg=-1.59!) USER MOD Single : A 10 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.62 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.09 USER MOD Single : A 24 SER OG : rot 170:sc= -0.243 USER MOD Single : A 27 SER OG : rot -78:sc= 0.0363 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.167 (180deg=-0.57) USER MOD Single : A 29 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.8!) USER MOD Single : A 30 ASN : amide:sc= -2.94! C(o=-2.9!,f=-7.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -4.26 X(o=-4.3,f=-4.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 154:sc= -2.01! (180deg=-4.27!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.04 X(o=-2,f=-1.5) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 70:sc= 0.0232 USER MOD Single : A 72 MET CE :methyl -176:sc= -2.5! (180deg=-2.64!) USER MOD Single : A 73 THR OG1 : rot 56:sc= -5.13! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= -0.996 (180deg=-2.04!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.55! USER MOD Single : A 83 SER OG : rot -48:sc= 1.17 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -2.77 K(o=-2.8,f=-6.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -140:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 26.851 7.771 27.391 1.00 0.00 N ATOM 2 CA PHE A 1 25.407 8.019 27.639 1.00 0.00 C ATOM 3 C PHE A 1 24.536 7.116 26.771 1.00 0.00 C ATOM 4 O PHE A 1 25.043 6.325 25.976 1.00 0.00 O ATOM 5 CB PHE A 1 25.107 9.488 27.338 1.00 0.00 C ATOM 6 CG PHE A 1 25.366 9.874 25.910 1.00 0.00 C ATOM 7 CD1 PHE A 1 24.379 9.724 24.948 1.00 0.00 C ATOM 8 CD2 PHE A 1 26.595 10.388 25.530 1.00 0.00 C ATOM 9 CE1 PHE A 1 24.615 10.080 23.634 1.00 0.00 C ATOM 10 CE2 PHE A 1 26.836 10.744 24.216 1.00 0.00 C ATOM 11 CZ PHE A 1 25.844 10.590 23.268 1.00 0.00 C ATOM 0 H1 PHE A 1 27.363 7.767 28.296 1.00 0.00 H new ATOM 0 H2 PHE A 1 26.970 6.851 26.922 1.00 0.00 H new ATOM 0 H3 PHE A 1 27.233 8.522 26.781 1.00 0.00 H new ATOM 0 HA PHE A 1 25.178 7.794 28.681 1.00 0.00 H new ATOM 0 HB2 PHE A 1 24.064 9.694 27.578 1.00 0.00 H new ATOM 0 HB3 PHE A 1 25.714 10.115 27.991 1.00 0.00 H new ATOM 0 HD1 PHE A 1 23.416 9.325 25.229 1.00 0.00 H new ATOM 0 HD2 PHE A 1 27.373 10.512 26.268 1.00 0.00 H new ATOM 0 HE1 PHE A 1 23.838 9.959 22.894 1.00 0.00 H new ATOM 0 HE2 PHE A 1 27.799 11.142 23.931 1.00 0.00 H new ATOM 0 HZ PHE A 1 26.030 10.868 22.241 1.00 0.00 H new ATOM 22 N ALA A 2 23.222 7.240 26.931 1.00 0.00 N ATOM 23 CA ALA A 2 22.281 6.435 26.161 1.00 0.00 C ATOM 24 C ALA A 2 21.198 7.307 25.535 1.00 0.00 C ATOM 25 O ALA A 2 20.887 8.387 26.038 1.00 0.00 O ATOM 26 CB ALA A 2 21.654 5.367 27.046 1.00 0.00 C ATOM 0 H ALA A 2 22.786 7.889 27.586 1.00 0.00 H new ATOM 0 HA ALA A 2 22.831 5.948 25.355 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.954 4.773 26.459 1.00 0.00 H new ATOM 0 HB2 ALA A 2 22.435 4.719 27.443 1.00 0.00 H new ATOM 0 HB3 ALA A 2 21.124 5.843 27.871 1.00 0.00 H new ATOM 32 N LYS A 3 20.625 6.831 24.434 1.00 0.00 N ATOM 33 CA LYS A 3 19.576 7.567 23.738 1.00 0.00 C ATOM 34 C LYS A 3 18.373 7.791 24.648 1.00 0.00 C ATOM 35 O LYS A 3 18.131 7.018 25.575 1.00 0.00 O ATOM 36 CB LYS A 3 19.145 6.813 22.479 1.00 0.00 C ATOM 37 CG LYS A 3 19.963 7.166 21.248 1.00 0.00 C ATOM 38 CD LYS A 3 19.412 8.398 20.548 1.00 0.00 C ATOM 39 CE LYS A 3 20.175 9.651 20.944 1.00 0.00 C ATOM 40 NZ LYS A 3 21.645 9.481 20.785 1.00 0.00 N ATOM 0 H LYS A 3 20.870 5.939 24.005 1.00 0.00 H new ATOM 0 HA LYS A 3 19.977 8.539 23.451 1.00 0.00 H new ATOM 0 HB2 LYS A 3 19.224 5.741 22.662 1.00 0.00 H new ATOM 0 HB3 LYS A 3 18.095 7.026 22.280 1.00 0.00 H new ATOM 0 HG2 LYS A 3 20.999 7.343 21.537 1.00 0.00 H new ATOM 0 HG3 LYS A 3 19.964 6.323 20.557 1.00 0.00 H new ATOM 0 HD2 LYS A 3 19.471 8.261 19.468 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.358 8.519 20.797 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.839 10.489 20.333 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.949 9.901 21.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.074 10.393 20.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 22.054 9.145 21.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.835 8.786 20.035 1.00 0.00 H new ATOM 54 N LEU A 4 17.622 8.853 24.378 1.00 0.00 N ATOM 55 CA LEU A 4 16.443 9.179 25.172 1.00 0.00 C ATOM 56 C LEU A 4 15.196 8.520 24.591 1.00 0.00 C ATOM 57 O LEU A 4 14.594 7.648 25.216 1.00 0.00 O ATOM 58 CB LEU A 4 16.250 10.695 25.239 1.00 0.00 C ATOM 59 CG LEU A 4 16.997 11.393 26.376 1.00 0.00 C ATOM 60 CD1 LEU A 4 16.417 10.987 27.723 1.00 0.00 C ATOM 61 CD2 LEU A 4 18.482 11.073 26.313 1.00 0.00 C ATOM 0 H LEU A 4 17.809 9.503 23.615 1.00 0.00 H new ATOM 0 HA LEU A 4 16.598 8.795 26.180 1.00 0.00 H new ATOM 0 HB2 LEU A 4 16.572 11.129 24.293 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.185 10.906 25.340 1.00 0.00 H new ATOM 0 HG LEU A 4 16.874 12.470 26.261 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.961 11.493 28.521 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.365 11.268 27.766 1.00 0.00 H new ATOM 0 HD13 LEU A 4 16.510 9.908 27.849 1.00 0.00 H new ATOM 0 HD21 LEU A 4 18.998 11.578 27.130 1.00 0.00 H new ATOM 0 HD22 LEU A 4 18.626 9.996 26.403 1.00 0.00 H new ATOM 0 HD23 LEU A 4 18.888 11.415 25.361 1.00 0.00 H new ATOM 73 N VAL A 5 14.815 8.943 23.390 1.00 0.00 N ATOM 74 CA VAL A 5 13.640 8.394 22.724 1.00 0.00 C ATOM 75 C VAL A 5 12.381 8.625 23.554 1.00 0.00 C ATOM 76 O VAL A 5 12.455 8.842 24.763 1.00 0.00 O ATOM 77 CB VAL A 5 13.797 6.885 22.459 1.00 0.00 C ATOM 78 CG1 VAL A 5 12.659 6.372 21.592 1.00 0.00 C ATOM 79 CG2 VAL A 5 15.144 6.594 21.813 1.00 0.00 C ATOM 0 H VAL A 5 15.303 9.664 22.858 1.00 0.00 H new ATOM 0 HA VAL A 5 13.545 8.914 21.771 1.00 0.00 H new ATOM 0 HB VAL A 5 13.757 6.361 23.414 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.788 5.304 21.416 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.709 6.544 22.099 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.662 6.900 20.638 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.237 5.523 21.633 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.216 7.129 20.866 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.944 6.922 22.477 1.00 0.00 H new ATOM 89 N ARG A 6 11.227 8.572 22.896 1.00 0.00 N ATOM 90 CA ARG A 6 9.949 8.772 23.573 1.00 0.00 C ATOM 91 C ARG A 6 8.790 8.727 22.577 1.00 0.00 C ATOM 92 O ARG A 6 7.843 7.962 22.753 1.00 0.00 O ATOM 93 CB ARG A 6 9.942 10.106 24.326 1.00 0.00 C ATOM 94 CG ARG A 6 9.476 9.987 25.768 1.00 0.00 C ATOM 95 CD ARG A 6 10.444 9.162 26.600 1.00 0.00 C ATOM 96 NE ARG A 6 9.867 8.771 27.884 1.00 0.00 N ATOM 97 CZ ARG A 6 9.683 9.611 28.901 1.00 0.00 C ATOM 98 NH1 ARG A 6 10.029 10.888 28.788 1.00 0.00 N ATOM 99 NH2 ARG A 6 9.150 9.172 30.033 1.00 0.00 N ATOM 0 H ARG A 6 11.150 8.392 21.895 1.00 0.00 H new ATOM 0 HA ARG A 6 9.819 7.962 24.290 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.947 10.528 24.311 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.294 10.807 23.800 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.377 10.982 26.203 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.488 9.528 25.795 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.730 8.269 26.044 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.355 9.736 26.772 1.00 0.00 H new ATOM 0 HE ARG A 6 9.589 7.798 28.009 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.438 11.231 27.919 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.886 11.526 29.570 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.882 8.192 30.124 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.008 9.814 30.813 1.00 0.00 H new ATOM 113 N PRO A 7 8.851 9.549 21.513 1.00 0.00 N ATOM 114 CA PRO A 7 7.799 9.595 20.492 1.00 0.00 C ATOM 115 C PRO A 7 7.455 8.208 19.949 1.00 0.00 C ATOM 116 O PRO A 7 8.222 7.627 19.184 1.00 0.00 O ATOM 117 CB PRO A 7 8.414 10.461 19.390 1.00 0.00 C ATOM 118 CG PRO A 7 9.398 11.327 20.097 1.00 0.00 C ATOM 119 CD PRO A 7 9.945 10.495 21.224 1.00 0.00 C ATOM 0 HA PRO A 7 6.862 9.986 20.889 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.899 9.849 18.629 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.654 11.056 18.883 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.194 11.644 19.423 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.921 12.232 20.475 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.859 9.976 20.934 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.188 11.106 22.093 1.00 0.00 H new ATOM 127 N PRO A 8 6.290 7.658 20.340 1.00 0.00 N ATOM 128 CA PRO A 8 5.855 6.334 19.887 1.00 0.00 C ATOM 129 C PRO A 8 5.346 6.351 18.450 1.00 0.00 C ATOM 130 O PRO A 8 4.736 7.325 18.008 1.00 0.00 O ATOM 131 CB PRO A 8 4.720 5.993 20.852 1.00 0.00 C ATOM 132 CG PRO A 8 4.154 7.314 21.244 1.00 0.00 C ATOM 133 CD PRO A 8 5.310 8.279 21.253 1.00 0.00 C ATOM 0 HA PRO A 8 6.670 5.611 19.889 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.968 5.365 20.374 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.088 5.446 21.720 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.386 7.633 20.540 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.684 7.260 22.226 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.009 9.268 20.906 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.720 8.404 22.255 1.00 0.00 H new ATOM 141 N VAL A 9 5.599 5.266 17.725 1.00 0.00 N ATOM 142 CA VAL A 9 5.165 5.155 16.338 1.00 0.00 C ATOM 143 C VAL A 9 4.417 3.841 16.104 1.00 0.00 C ATOM 144 O VAL A 9 3.959 3.205 17.053 1.00 0.00 O ATOM 145 CB VAL A 9 6.361 5.259 15.368 1.00 0.00 C ATOM 146 CG1 VAL A 9 7.163 6.521 15.646 1.00 0.00 C ATOM 147 CG2 VAL A 9 7.249 4.026 15.464 1.00 0.00 C ATOM 0 H VAL A 9 6.103 4.451 18.076 1.00 0.00 H new ATOM 0 HA VAL A 9 4.487 5.985 16.140 1.00 0.00 H new ATOM 0 HB VAL A 9 5.971 5.314 14.352 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.003 6.579 14.953 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.524 7.394 15.515 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.538 6.496 16.669 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.084 4.124 14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.631 3.931 16.481 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.669 3.139 15.210 1.00 0.00 H new ATOM 157 N GLN A 10 4.289 3.441 14.840 1.00 0.00 N ATOM 158 CA GLN A 10 3.589 2.206 14.497 1.00 0.00 C ATOM 159 C GLN A 10 2.100 2.341 14.792 1.00 0.00 C ATOM 160 O GLN A 10 1.710 2.561 15.936 1.00 0.00 O ATOM 161 CB GLN A 10 4.173 1.023 15.272 1.00 0.00 C ATOM 162 CG GLN A 10 3.748 -0.330 14.727 1.00 0.00 C ATOM 163 CD GLN A 10 3.491 -1.346 15.823 1.00 0.00 C ATOM 164 OE1 GLN A 10 3.063 -0.995 16.922 1.00 0.00 O ATOM 165 NE2 GLN A 10 3.751 -2.614 15.527 1.00 0.00 N ATOM 0 H GLN A 10 4.660 3.953 14.039 1.00 0.00 H new ATOM 0 HA GLN A 10 3.721 2.022 13.431 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.261 1.088 15.252 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.868 1.097 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.844 -0.209 14.130 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.523 -0.709 14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.105 -2.860 14.602 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.597 -3.342 16.224 1.00 0.00 H new ATOM 174 N ILE A 11 1.285 2.219 13.744 1.00 0.00 N ATOM 175 CA ILE A 11 -0.169 2.337 13.856 1.00 0.00 C ATOM 176 C ILE A 11 -0.573 3.631 14.555 1.00 0.00 C ATOM 177 O ILE A 11 0.048 4.052 15.529 1.00 0.00 O ATOM 178 CB ILE A 11 -0.799 1.123 14.565 1.00 0.00 C ATOM 179 CG1 ILE A 11 -2.321 1.156 14.410 1.00 0.00 C ATOM 180 CG2 ILE A 11 -0.408 1.071 16.036 1.00 0.00 C ATOM 181 CD1 ILE A 11 -2.846 0.153 13.408 1.00 0.00 C ATOM 0 H ILE A 11 1.613 2.036 12.796 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.556 2.362 12.837 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.415 0.218 14.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.781 0.965 15.379 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.626 2.157 14.104 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.870 0.202 16.505 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.676 0.996 16.122 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.750 1.978 16.536 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.932 0.232 13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.414 0.357 12.428 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.572 -0.854 13.723 1.00 0.00 H new ATOM 193 N TYR A 12 -1.592 4.287 14.013 1.00 0.00 N ATOM 194 CA TYR A 12 -2.044 5.566 14.547 1.00 0.00 C ATOM 195 C TYR A 12 -3.527 5.782 14.265 1.00 0.00 C ATOM 196 O TYR A 12 -4.329 5.931 15.186 1.00 0.00 O ATOM 197 CB TYR A 12 -1.213 6.703 13.926 1.00 0.00 C ATOM 198 CG TYR A 12 0.103 6.230 13.329 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.121 5.270 12.321 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.320 6.719 13.788 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.306 4.811 11.791 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.515 6.264 13.259 1.00 0.00 C ATOM 203 CZ TYR A 12 2.502 5.309 12.263 1.00 0.00 C ATOM 204 OH TYR A 12 3.690 4.855 11.736 1.00 0.00 O ATOM 0 H TYR A 12 -2.120 3.955 13.206 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.905 5.563 15.628 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.802 7.191 13.149 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.009 7.453 14.690 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.813 4.877 11.947 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.333 7.465 14.569 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.299 4.065 11.010 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.453 6.655 13.624 1.00 0.00 H new ATOM 0 HH TYR A 12 4.438 5.308 12.178 1.00 0.00 H new ATOM 214 N GLY A 13 -3.885 5.794 12.985 1.00 0.00 N ATOM 215 CA GLY A 13 -5.272 5.988 12.607 1.00 0.00 C ATOM 216 C GLY A 13 -5.426 6.467 11.178 1.00 0.00 C ATOM 217 O GLY A 13 -6.021 5.779 10.348 1.00 0.00 O ATOM 0 H GLY A 13 -3.240 5.673 12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.813 5.050 12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.730 6.713 13.280 1.00 0.00 H new ATOM 221 N ILE A 14 -4.893 7.649 10.888 1.00 0.00 N ATOM 222 CA ILE A 14 -4.982 8.213 9.547 1.00 0.00 C ATOM 223 C ILE A 14 -4.283 7.315 8.531 1.00 0.00 C ATOM 224 O ILE A 14 -4.822 7.037 7.460 1.00 0.00 O ATOM 225 CB ILE A 14 -4.377 9.634 9.491 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.751 10.328 8.175 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.865 9.589 9.672 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.015 9.797 6.962 1.00 0.00 C ATOM 0 H ILE A 14 -4.397 8.233 11.561 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.040 8.278 9.294 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.795 10.215 10.313 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.823 10.219 8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.550 11.395 8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.463 10.601 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.627 9.145 10.639 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.421 8.988 8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.337 10.341 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.942 9.931 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.235 8.737 6.838 1.00 0.00 H new ATOM 240 N GLU A 15 -3.083 6.860 8.875 1.00 0.00 N ATOM 241 CA GLU A 15 -2.322 5.987 7.991 1.00 0.00 C ATOM 242 C GLU A 15 -2.934 4.593 7.962 1.00 0.00 C ATOM 243 O GLU A 15 -2.920 3.918 6.933 1.00 0.00 O ATOM 244 CB GLU A 15 -0.859 5.916 8.437 1.00 0.00 C ATOM 245 CG GLU A 15 0.093 6.659 7.513 1.00 0.00 C ATOM 246 CD GLU A 15 1.087 7.520 8.267 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.646 8.438 8.993 1.00 0.00 O ATOM 248 OE2 GLU A 15 2.304 7.278 8.133 1.00 0.00 O ATOM 0 H GLU A 15 -2.619 7.080 9.756 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.358 6.402 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.773 6.329 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.555 4.871 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.634 5.938 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.483 7.287 6.833 1.00 0.00 H new ATOM 255 N GLY A 16 -3.486 4.174 9.097 1.00 0.00 N ATOM 256 CA GLY A 16 -4.111 2.868 9.172 1.00 0.00 C ATOM 257 C GLY A 16 -5.459 2.852 8.486 1.00 0.00 C ATOM 258 O GLY A 16 -5.881 1.827 7.952 1.00 0.00 O ATOM 0 H GLY A 16 -3.511 4.714 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.459 2.126 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.231 2.582 10.217 1.00 0.00 H new ATOM 262 N ARG A 17 -6.132 4.000 8.490 1.00 0.00 N ATOM 263 CA ARG A 17 -7.436 4.121 7.854 1.00 0.00 C ATOM 264 C ARG A 17 -7.297 4.061 6.338 1.00 0.00 C ATOM 265 O ARG A 17 -8.231 3.675 5.636 1.00 0.00 O ATOM 266 CB ARG A 17 -8.114 5.428 8.268 1.00 0.00 C ATOM 267 CG ARG A 17 -9.594 5.481 7.925 1.00 0.00 C ATOM 268 CD ARG A 17 -10.026 6.886 7.536 1.00 0.00 C ATOM 269 NE ARG A 17 -10.100 7.054 6.086 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.769 8.037 5.488 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.422 8.939 6.209 1.00 0.00 N ATOM 272 NH2 ARG A 17 -10.785 8.117 4.164 1.00 0.00 N ATOM 0 H ARG A 17 -5.794 4.858 8.927 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.056 3.286 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.993 5.566 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.607 6.261 7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.803 4.795 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.179 5.143 8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.000 7.101 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.323 7.609 7.949 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.611 6.379 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.413 8.881 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.933 9.690 5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.285 7.426 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.297 8.870 3.705 1.00 0.00 H new ATOM 286 N TYR A 18 -6.123 4.436 5.835 1.00 0.00 N ATOM 287 CA TYR A 18 -5.864 4.410 4.400 1.00 0.00 C ATOM 288 C TYR A 18 -6.132 3.020 3.844 1.00 0.00 C ATOM 289 O TYR A 18 -6.858 2.858 2.863 1.00 0.00 O ATOM 290 CB TYR A 18 -4.414 4.813 4.114 1.00 0.00 C ATOM 291 CG TYR A 18 -4.253 6.234 3.627 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.027 7.262 4.150 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.320 6.548 2.647 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.877 8.563 3.709 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.164 7.847 2.200 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.945 8.850 2.734 1.00 0.00 C ATOM 297 OH TYR A 18 -3.793 10.144 2.292 1.00 0.00 O ATOM 0 H TYR A 18 -5.338 4.761 6.400 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.531 5.122 3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.826 4.683 5.023 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.000 4.135 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.758 7.041 4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.706 5.765 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.487 9.351 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.435 8.075 1.437 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.844 10.387 2.313 1.00 0.00 H new ATOM 307 N ALA A 19 -5.546 2.020 4.488 1.00 0.00 N ATOM 308 CA ALA A 19 -5.725 0.641 4.071 1.00 0.00 C ATOM 309 C ALA A 19 -7.152 0.190 4.324 1.00 0.00 C ATOM 310 O ALA A 19 -7.753 -0.490 3.495 1.00 0.00 O ATOM 311 CB ALA A 19 -4.739 -0.261 4.800 1.00 0.00 C ATOM 0 H ALA A 19 -4.943 2.141 5.302 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.531 0.572 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.883 -1.293 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.721 0.052 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.906 -0.189 5.875 1.00 0.00 H new ATOM 317 N THR A 20 -7.698 0.579 5.471 1.00 0.00 N ATOM 318 CA THR A 20 -9.063 0.213 5.813 1.00 0.00 C ATOM 319 C THR A 20 -10.054 0.911 4.895 1.00 0.00 C ATOM 320 O THR A 20 -11.172 0.437 4.707 1.00 0.00 O ATOM 321 CB THR A 20 -9.368 0.538 7.276 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.232 1.081 7.922 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.809 -0.677 8.061 1.00 0.00 C ATOM 0 H THR A 20 -7.219 1.143 6.173 1.00 0.00 H new ATOM 0 HA THR A 20 -9.165 -0.863 5.676 1.00 0.00 H new ATOM 0 HB THR A 20 -10.182 1.262 7.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.452 1.282 8.856 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.012 -0.390 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.713 -1.090 7.614 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.019 -1.428 8.043 1.00 0.00 H new ATOM 331 N ALA A 21 -9.642 2.032 4.311 1.00 0.00 N ATOM 332 CA ALA A 21 -10.513 2.762 3.406 1.00 0.00 C ATOM 333 C ALA A 21 -10.340 2.278 1.972 1.00 0.00 C ATOM 334 O ALA A 21 -10.978 2.791 1.052 1.00 0.00 O ATOM 335 CB ALA A 21 -10.265 4.259 3.506 1.00 0.00 C ATOM 0 H ALA A 21 -8.721 2.448 4.448 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.544 2.569 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.929 4.784 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.459 4.593 4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.229 4.474 3.245 1.00 0.00 H new ATOM 341 N LEU A 22 -9.503 1.264 1.792 1.00 0.00 N ATOM 342 CA LEU A 22 -9.282 0.684 0.476 1.00 0.00 C ATOM 343 C LEU A 22 -9.650 -0.775 0.535 1.00 0.00 C ATOM 344 O LEU A 22 -10.306 -1.309 -0.360 1.00 0.00 O ATOM 345 CB LEU A 22 -7.830 0.854 0.029 1.00 0.00 C ATOM 346 CG LEU A 22 -7.484 0.164 -1.295 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.942 1.170 -2.299 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.483 -0.962 -1.068 1.00 0.00 C ATOM 0 H LEU A 22 -8.967 0.827 2.542 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.904 1.200 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.615 1.918 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.176 0.464 0.809 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.397 -0.268 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.702 0.660 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.693 1.937 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.041 1.635 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.250 -1.439 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.570 -0.555 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.912 -1.698 -0.388 1.00 0.00 H new ATOM 360 N TYR A 23 -9.259 -1.405 1.626 1.00 0.00 N ATOM 361 CA TYR A 23 -9.581 -2.785 1.844 1.00 0.00 C ATOM 362 C TYR A 23 -11.042 -2.891 2.281 1.00 0.00 C ATOM 363 O TYR A 23 -11.653 -3.946 2.146 1.00 0.00 O ATOM 364 CB TYR A 23 -8.628 -3.390 2.881 1.00 0.00 C ATOM 365 CG TYR A 23 -9.305 -3.922 4.117 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.118 -5.039 4.045 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.148 -3.300 5.344 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.754 -5.531 5.161 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.780 -3.777 6.465 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.582 -4.896 6.375 1.00 0.00 C ATOM 371 OH TYR A 23 -11.215 -5.376 7.498 1.00 0.00 O ATOM 0 H TYR A 23 -8.716 -0.973 2.373 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.456 -3.352 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.068 -4.199 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.904 -2.631 3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.256 -5.534 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.518 -2.426 5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.382 -6.406 5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.650 -3.278 7.414 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.979 -6.318 7.629 1.00 0.00 H new ATOM 381 N SER A 24 -11.615 -1.782 2.785 1.00 0.00 N ATOM 382 CA SER A 24 -13.014 -1.788 3.202 1.00 0.00 C ATOM 383 C SER A 24 -13.867 -2.390 2.097 1.00 0.00 C ATOM 384 O SER A 24 -14.763 -3.196 2.351 1.00 0.00 O ATOM 385 CB SER A 24 -13.494 -0.372 3.526 1.00 0.00 C ATOM 386 OG SER A 24 -12.844 0.587 2.713 1.00 0.00 O ATOM 0 H SER A 24 -11.135 -0.891 2.909 1.00 0.00 H new ATOM 0 HA SER A 24 -13.108 -2.390 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.572 -0.308 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.303 -0.152 4.576 1.00 0.00 H new ATOM 0 HG SER A 24 -13.279 1.458 2.824 1.00 0.00 H new ATOM 392 N ALA A 25 -13.546 -2.022 0.861 1.00 0.00 N ATOM 393 CA ALA A 25 -14.243 -2.555 -0.295 1.00 0.00 C ATOM 394 C ALA A 25 -13.822 -3.999 -0.497 1.00 0.00 C ATOM 395 O ALA A 25 -14.631 -4.857 -0.853 1.00 0.00 O ATOM 396 CB ALA A 25 -13.941 -1.725 -1.534 1.00 0.00 C ATOM 0 H ALA A 25 -12.806 -1.356 0.638 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.319 -2.511 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.473 -2.141 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.264 -0.697 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.869 -1.741 -1.731 1.00 0.00 H new ATOM 402 N ALA A 26 -12.542 -4.259 -0.242 1.00 0.00 N ATOM 403 CA ALA A 26 -11.996 -5.606 -0.367 1.00 0.00 C ATOM 404 C ALA A 26 -12.677 -6.554 0.617 1.00 0.00 C ATOM 405 O ALA A 26 -13.001 -7.691 0.275 1.00 0.00 O ATOM 406 CB ALA A 26 -10.493 -5.591 -0.131 1.00 0.00 C ATOM 0 H ALA A 26 -11.865 -3.555 0.052 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.187 -5.963 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.099 -6.603 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.016 -4.944 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.286 -5.215 0.871 1.00 0.00 H new ATOM 412 N SER A 27 -12.894 -6.072 1.838 1.00 0.00 N ATOM 413 CA SER A 27 -13.541 -6.868 2.876 1.00 0.00 C ATOM 414 C SER A 27 -14.916 -7.328 2.407 1.00 0.00 C ATOM 415 O SER A 27 -15.263 -8.503 2.527 1.00 0.00 O ATOM 416 CB SER A 27 -13.666 -6.053 4.167 1.00 0.00 C ATOM 417 OG SER A 27 -14.977 -5.538 4.332 1.00 0.00 O ATOM 0 H SER A 27 -12.630 -5.132 2.133 1.00 0.00 H new ATOM 0 HA SER A 27 -12.928 -7.747 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.410 -6.681 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.951 -5.231 4.150 1.00 0.00 H new ATOM 0 HG SER A 27 -15.096 -4.754 3.755 1.00 0.00 H new ATOM 423 N LYS A 28 -15.692 -6.394 1.859 1.00 0.00 N ATOM 424 CA LYS A 28 -17.024 -6.708 1.357 1.00 0.00 C ATOM 425 C LYS A 28 -16.966 -7.932 0.451 1.00 0.00 C ATOM 426 O LYS A 28 -17.915 -8.712 0.373 1.00 0.00 O ATOM 427 CB LYS A 28 -17.602 -5.515 0.592 1.00 0.00 C ATOM 428 CG LYS A 28 -19.122 -5.468 0.601 1.00 0.00 C ATOM 429 CD LYS A 28 -19.646 -4.607 1.738 1.00 0.00 C ATOM 430 CE LYS A 28 -19.666 -3.134 1.360 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.596 -2.864 0.230 1.00 0.00 N ATOM 0 H LYS A 28 -15.420 -5.417 1.753 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.673 -6.925 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.215 -4.593 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.254 -5.552 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.480 -5.074 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.518 -6.479 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -20.653 -4.929 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.022 -4.749 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.964 -2.541 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.660 -2.816 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.884 -1.865 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.117 -3.069 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.437 -3.469 0.321 1.00 0.00 H new ATOM 445 N GLN A 29 -15.829 -8.097 -0.219 1.00 0.00 N ATOM 446 CA GLN A 29 -15.623 -9.230 -1.107 1.00 0.00 C ATOM 447 C GLN A 29 -14.907 -10.352 -0.368 1.00 0.00 C ATOM 448 O GLN A 29 -15.522 -11.354 -0.006 1.00 0.00 O ATOM 449 CB GLN A 29 -14.810 -8.806 -2.333 1.00 0.00 C ATOM 450 CG GLN A 29 -15.621 -8.038 -3.364 1.00 0.00 C ATOM 451 CD GLN A 29 -14.856 -6.867 -3.952 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.975 -6.300 -3.308 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.193 -6.502 -5.184 1.00 0.00 N ATOM 0 H GLN A 29 -15.037 -7.457 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.596 -9.591 -1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.973 -8.188 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.387 -9.694 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.916 -8.714 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.538 -7.673 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.931 -7.002 -5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.714 -5.722 -5.634 1.00 0.00 H new ATOM 462 N ASN A 30 -13.604 -10.158 -0.147 1.00 0.00 N ATOM 463 CA ASN A 30 -12.748 -11.125 0.554 1.00 0.00 C ATOM 464 C ASN A 30 -11.351 -11.110 -0.049 1.00 0.00 C ATOM 465 O ASN A 30 -10.624 -12.103 0.014 1.00 0.00 O ATOM 466 CB ASN A 30 -13.308 -12.552 0.488 1.00 0.00 C ATOM 467 CG ASN A 30 -13.608 -12.993 -0.932 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.535 -12.198 -1.869 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.946 -14.267 -1.097 1.00 0.00 N ATOM 0 H ASN A 30 -13.108 -9.320 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.714 -10.825 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.592 -13.241 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.219 -12.609 1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.158 -14.622 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.994 -14.890 -0.291 1.00 0.00 H new ATOM 476 N LYS A 31 -10.986 -9.982 -0.648 1.00 0.00 N ATOM 477 CA LYS A 31 -9.685 -9.843 -1.278 1.00 0.00 C ATOM 478 C LYS A 31 -8.589 -9.541 -0.260 1.00 0.00 C ATOM 479 O LYS A 31 -7.437 -9.351 -0.639 1.00 0.00 O ATOM 480 CB LYS A 31 -9.730 -8.745 -2.340 1.00 0.00 C ATOM 481 CG LYS A 31 -10.371 -9.189 -3.645 1.00 0.00 C ATOM 482 CD LYS A 31 -11.788 -8.655 -3.782 1.00 0.00 C ATOM 483 CE LYS A 31 -12.193 -8.520 -5.242 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.697 -9.806 -5.800 1.00 0.00 N ATOM 0 H LYS A 31 -11.576 -9.152 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.444 -10.796 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.281 -7.892 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.715 -8.403 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.768 -8.842 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.386 -10.278 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.481 -9.323 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.861 -7.684 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.965 -7.756 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.337 -8.181 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.962 -9.672 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.952 -10.529 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.529 -10.117 -5.259 1.00 0.00 H new ATOM 498 N LEU A 32 -8.937 -9.507 1.033 1.00 0.00 N ATOM 499 CA LEU A 32 -7.956 -9.242 2.077 1.00 0.00 C ATOM 500 C LEU A 32 -6.668 -10.017 1.826 1.00 0.00 C ATOM 501 O LEU A 32 -5.581 -9.561 2.172 1.00 0.00 O ATOM 502 CB LEU A 32 -8.550 -9.615 3.429 1.00 0.00 C ATOM 503 CG LEU A 32 -9.443 -8.539 4.038 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.583 -7.495 4.734 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.321 -7.898 2.970 1.00 0.00 C ATOM 0 H LEU A 32 -9.886 -9.660 1.373 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.708 -8.181 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.129 -10.532 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.738 -9.833 4.123 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.102 -8.999 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.223 -6.727 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.000 -7.971 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.908 -7.038 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.950 -7.134 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.691 -7.441 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.951 -8.660 2.512 1.00 0.00 H new ATOM 517 N GLU A 33 -6.798 -11.179 1.202 1.00 0.00 N ATOM 518 CA GLU A 33 -5.637 -12.003 0.886 1.00 0.00 C ATOM 519 C GLU A 33 -4.851 -11.384 -0.267 1.00 0.00 C ATOM 520 O GLU A 33 -3.621 -11.429 -0.292 1.00 0.00 O ATOM 521 CB GLU A 33 -6.071 -13.424 0.524 1.00 0.00 C ATOM 522 CG GLU A 33 -4.982 -14.465 0.730 1.00 0.00 C ATOM 523 CD GLU A 33 -5.517 -15.762 1.302 1.00 0.00 C ATOM 524 OE1 GLU A 33 -6.652 -16.145 0.947 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.801 -16.397 2.105 1.00 0.00 O ATOM 0 H GLU A 33 -7.691 -11.572 0.905 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.996 -12.050 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.939 -13.694 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.388 -13.443 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.493 -14.667 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.222 -14.063 1.400 1.00 0.00 H new ATOM 532 N GLN A 34 -5.577 -10.797 -1.214 1.00 0.00 N ATOM 533 CA GLN A 34 -4.965 -10.149 -2.371 1.00 0.00 C ATOM 534 C GLN A 34 -4.553 -8.713 -2.045 1.00 0.00 C ATOM 535 O GLN A 34 -3.887 -8.056 -2.844 1.00 0.00 O ATOM 536 CB GLN A 34 -5.934 -10.160 -3.556 1.00 0.00 C ATOM 537 CG GLN A 34 -5.541 -11.135 -4.653 1.00 0.00 C ATOM 538 CD GLN A 34 -4.929 -10.445 -5.857 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.311 -10.705 -6.998 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.973 -9.558 -5.607 1.00 0.00 N ATOM 0 H GLN A 34 -6.596 -10.757 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.068 -10.709 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.932 -10.413 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.992 -9.156 -3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.830 -11.858 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.421 -11.695 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.687 -9.373 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.524 -9.061 -6.377 1.00 0.00 H new ATOM 549 N VAL A 35 -4.951 -8.232 -0.869 1.00 0.00 N ATOM 550 CA VAL A 35 -4.617 -6.877 -0.444 1.00 0.00 C ATOM 551 C VAL A 35 -3.634 -6.901 0.725 1.00 0.00 C ATOM 552 O VAL A 35 -2.863 -5.963 0.918 1.00 0.00 O ATOM 553 CB VAL A 35 -5.868 -6.073 -0.012 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.729 -4.616 -0.420 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.155 -6.674 -0.579 1.00 0.00 C ATOM 0 H VAL A 35 -5.505 -8.761 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.166 -6.389 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.936 -6.128 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.616 -4.065 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.849 -4.187 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.622 -4.550 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.009 -6.080 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.108 -6.673 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.267 -7.698 -0.221 1.00 0.00 H new ATOM 565 N GLU A 36 -3.669 -7.982 1.500 1.00 0.00 N ATOM 566 CA GLU A 36 -2.783 -8.133 2.651 1.00 0.00 C ATOM 567 C GLU A 36 -1.373 -8.456 2.186 1.00 0.00 C ATOM 568 O GLU A 36 -0.402 -7.844 2.630 1.00 0.00 O ATOM 569 CB GLU A 36 -3.291 -9.233 3.590 1.00 0.00 C ATOM 570 CG GLU A 36 -3.163 -10.636 3.020 1.00 0.00 C ATOM 571 CD GLU A 36 -3.808 -11.686 3.904 1.00 0.00 C ATOM 572 OE1 GLU A 36 -5.039 -11.619 4.102 1.00 0.00 O ATOM 573 OE2 GLU A 36 -3.082 -12.573 4.398 1.00 0.00 O ATOM 0 H GLU A 36 -4.302 -8.768 1.351 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.771 -7.191 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.738 -9.181 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.338 -9.041 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.623 -10.666 2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.108 -10.876 2.888 1.00 0.00 H new ATOM 580 N LYS A 37 -1.274 -9.407 1.267 1.00 0.00 N ATOM 581 CA LYS A 37 0.012 -9.791 0.714 1.00 0.00 C ATOM 582 C LYS A 37 0.511 -8.679 -0.190 1.00 0.00 C ATOM 583 O LYS A 37 1.714 -8.488 -0.364 1.00 0.00 O ATOM 584 CB LYS A 37 -0.105 -11.100 -0.069 1.00 0.00 C ATOM 585 CG LYS A 37 1.140 -11.970 0.012 1.00 0.00 C ATOM 586 CD LYS A 37 1.040 -13.171 -0.914 1.00 0.00 C ATOM 587 CE LYS A 37 1.755 -14.382 -0.336 1.00 0.00 C ATOM 588 NZ LYS A 37 1.977 -15.438 -1.360 1.00 0.00 N ATOM 0 H LYS A 37 -2.069 -9.924 0.891 1.00 0.00 H new ATOM 0 HA LYS A 37 0.721 -9.949 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.958 -11.664 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.311 -10.871 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.017 -11.378 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.281 -12.311 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.009 -13.414 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.471 -12.921 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.714 -14.073 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.168 -14.792 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.467 -16.246 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.061 -15.752 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.559 -15.056 -2.133 1.00 0.00 H new ATOM 602 N GLU A 38 -0.440 -7.933 -0.749 1.00 0.00 N ATOM 603 CA GLU A 38 -0.129 -6.822 -1.623 1.00 0.00 C ATOM 604 C GLU A 38 0.070 -5.534 -0.820 1.00 0.00 C ATOM 605 O GLU A 38 0.145 -4.444 -1.383 1.00 0.00 O ATOM 606 CB GLU A 38 -1.253 -6.648 -2.639 1.00 0.00 C ATOM 607 CG GLU A 38 -1.171 -7.606 -3.817 1.00 0.00 C ATOM 608 CD GLU A 38 -1.215 -9.062 -3.391 1.00 0.00 C ATOM 609 OE1 GLU A 38 -1.851 -9.361 -2.359 1.00 0.00 O ATOM 610 OE2 GLU A 38 -0.614 -9.903 -4.092 1.00 0.00 O ATOM 0 H GLU A 38 -1.438 -8.086 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 38 0.803 -7.035 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.210 -6.787 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.236 -5.624 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.996 -7.406 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.249 -7.420 -4.368 1.00 0.00 H new ATOM 617 N LEU A 39 0.171 -5.668 0.498 1.00 0.00 N ATOM 618 CA LEU A 39 0.388 -4.521 1.368 1.00 0.00 C ATOM 619 C LEU A 39 1.792 -4.584 1.950 1.00 0.00 C ATOM 620 O LEU A 39 2.441 -3.559 2.157 1.00 0.00 O ATOM 621 CB LEU A 39 -0.655 -4.484 2.490 1.00 0.00 C ATOM 622 CG LEU A 39 -1.493 -3.204 2.550 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.769 -3.363 1.738 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.816 -2.844 3.993 1.00 0.00 C ATOM 0 H LEU A 39 0.106 -6.561 0.986 1.00 0.00 H new ATOM 0 HA LEU A 39 0.282 -3.608 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.326 -5.335 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.145 -4.612 3.445 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.911 -2.391 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.352 -2.443 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.515 -3.571 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.356 -4.189 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.412 -1.932 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.378 -3.656 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.889 -2.686 4.545 1.00 0.00 H new ATOM 636 N LEU A 40 2.261 -5.804 2.193 1.00 0.00 N ATOM 637 CA LEU A 40 3.594 -6.017 2.732 1.00 0.00 C ATOM 638 C LEU A 40 4.647 -5.736 1.665 1.00 0.00 C ATOM 639 O LEU A 40 5.782 -5.380 1.980 1.00 0.00 O ATOM 640 CB LEU A 40 3.740 -7.450 3.247 1.00 0.00 C ATOM 641 CG LEU A 40 5.007 -7.721 4.059 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.741 -8.768 5.130 1.00 0.00 C ATOM 643 CD2 LEU A 40 6.139 -8.166 3.145 1.00 0.00 C ATOM 0 H LEU A 40 1.734 -6.661 2.024 1.00 0.00 H new ATOM 0 HA LEU A 40 3.743 -5.329 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.874 -7.688 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.721 -8.130 2.395 1.00 0.00 H new ATOM 0 HG LEU A 40 5.306 -6.796 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.654 -8.948 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.960 -8.411 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.418 -9.696 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.033 -8.355 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.849 -9.079 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.347 -7.383 2.415 1.00 0.00 H new ATOM 655 N ARG A 41 4.263 -5.894 0.397 1.00 0.00 N ATOM 656 CA ARG A 41 5.181 -5.651 -0.706 1.00 0.00 C ATOM 657 C ARG A 41 5.509 -4.166 -0.813 1.00 0.00 C ATOM 658 O ARG A 41 6.654 -3.791 -1.067 1.00 0.00 O ATOM 659 CB ARG A 41 4.581 -6.152 -2.020 1.00 0.00 C ATOM 660 CG ARG A 41 5.623 -6.533 -3.058 1.00 0.00 C ATOM 661 CD ARG A 41 6.228 -7.897 -2.764 1.00 0.00 C ATOM 662 NE ARG A 41 7.386 -8.177 -3.610 1.00 0.00 N ATOM 663 CZ ARG A 41 8.103 -9.295 -3.540 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.787 -10.240 -2.663 1.00 0.00 N ATOM 665 NH2 ARG A 41 9.142 -9.469 -4.346 1.00 0.00 N ATOM 0 H ARG A 41 3.328 -6.187 0.114 1.00 0.00 H new ATOM 0 HA ARG A 41 6.103 -6.198 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.951 -7.017 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.935 -5.378 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.166 -6.542 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.411 -5.780 -3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.525 -7.943 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.473 -8.669 -2.916 1.00 0.00 H new ATOM 0 HE ARG A 41 7.661 -7.473 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.991 -10.111 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.340 -11.095 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.391 -8.745 -5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.691 -10.327 -4.292 1.00 0.00 H new ATOM 679 N VAL A 42 4.501 -3.322 -0.608 1.00 0.00 N ATOM 680 CA VAL A 42 4.691 -1.879 -0.673 1.00 0.00 C ATOM 681 C VAL A 42 5.612 -1.397 0.444 1.00 0.00 C ATOM 682 O VAL A 42 6.215 -0.328 0.347 1.00 0.00 O ATOM 683 CB VAL A 42 3.346 -1.131 -0.586 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.553 0.368 -0.740 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.378 -1.653 -1.636 1.00 0.00 C ATOM 0 H VAL A 42 3.547 -3.613 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 42 5.153 -1.660 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 42 2.914 -1.313 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.591 0.877 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.208 0.728 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.009 0.575 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.434 -1.114 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.803 -1.503 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.203 -2.716 -1.473 1.00 0.00 H new ATOM 695 N GLY A 43 5.722 -2.198 1.500 1.00 0.00 N ATOM 696 CA GLY A 43 6.579 -1.842 2.614 1.00 0.00 C ATOM 697 C GLY A 43 8.038 -2.118 2.316 1.00 0.00 C ATOM 698 O GLY A 43 8.912 -1.324 2.662 1.00 0.00 O ATOM 0 H GLY A 43 5.232 -3.087 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.450 -0.785 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.277 -2.403 3.498 1.00 0.00 H new ATOM 702 N GLN A 44 8.299 -3.247 1.664 1.00 0.00 N ATOM 703 CA GLN A 44 9.659 -3.626 1.308 1.00 0.00 C ATOM 704 C GLN A 44 10.226 -2.659 0.276 1.00 0.00 C ATOM 705 O GLN A 44 11.425 -2.380 0.261 1.00 0.00 O ATOM 706 CB GLN A 44 9.689 -5.055 0.762 1.00 0.00 C ATOM 707 CG GLN A 44 8.951 -6.056 1.635 1.00 0.00 C ATOM 708 CD GLN A 44 9.632 -7.409 1.673 1.00 0.00 C ATOM 709 OE1 GLN A 44 9.806 -8.059 0.642 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.021 -7.842 2.867 1.00 0.00 N ATOM 0 H GLN A 44 7.585 -3.914 1.372 1.00 0.00 H new ATOM 0 HA GLN A 44 10.276 -3.582 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.250 -5.063 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.726 -5.373 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.876 -5.663 2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.933 -6.176 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.856 -7.270 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.484 -8.746 2.955 1.00 0.00 H new ATOM 719 N ILE A 45 9.351 -2.144 -0.584 1.00 0.00 N ATOM 720 CA ILE A 45 9.758 -1.201 -1.616 1.00 0.00 C ATOM 721 C ILE A 45 10.367 0.048 -0.991 1.00 0.00 C ATOM 722 O ILE A 45 11.221 0.698 -1.591 1.00 0.00 O ATOM 723 CB ILE A 45 8.562 -0.809 -2.512 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.997 -2.049 -3.206 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.969 0.236 -3.545 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.554 -1.899 -3.636 1.00 0.00 C ATOM 0 H ILE A 45 8.355 -2.366 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 45 10.510 -1.690 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 45 7.790 -0.373 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.606 -2.274 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.080 -2.902 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.108 0.493 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.330 1.129 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.761 -0.166 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.221 -2.817 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.932 -1.704 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.467 -1.068 -4.335 1.00 0.00 H new ATOM 738 N LEU A 46 9.937 0.374 0.220 1.00 0.00 N ATOM 739 CA LEU A 46 10.463 1.537 0.918 1.00 0.00 C ATOM 740 C LEU A 46 11.728 1.166 1.680 1.00 0.00 C ATOM 741 O LEU A 46 12.637 1.981 1.834 1.00 0.00 O ATOM 742 CB LEU A 46 9.422 2.112 1.878 1.00 0.00 C ATOM 743 CG LEU A 46 9.869 3.360 2.642 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.578 4.335 1.713 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.677 4.028 3.310 1.00 0.00 C ATOM 0 H LEU A 46 9.229 -0.148 0.737 1.00 0.00 H new ATOM 0 HA LEU A 46 10.705 2.299 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.522 2.353 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.149 1.341 2.599 1.00 0.00 H new ATOM 0 HG LEU A 46 10.573 3.055 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.887 5.215 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.456 3.854 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.900 4.636 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.012 4.914 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.950 4.318 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.214 3.331 4.009 1.00 0.00 H new ATOM 757 N LYS A 47 11.781 -0.078 2.148 1.00 0.00 N ATOM 758 CA LYS A 47 12.937 -0.569 2.885 1.00 0.00 C ATOM 759 C LYS A 47 14.080 -0.900 1.932 1.00 0.00 C ATOM 760 O LYS A 47 15.248 -0.886 2.321 1.00 0.00 O ATOM 761 CB LYS A 47 12.560 -1.807 3.701 1.00 0.00 C ATOM 762 CG LYS A 47 11.766 -1.489 4.958 1.00 0.00 C ATOM 763 CD LYS A 47 11.076 -2.727 5.508 1.00 0.00 C ATOM 764 CE LYS A 47 10.180 -2.386 6.687 1.00 0.00 C ATOM 765 NZ LYS A 47 9.909 -3.576 7.541 1.00 0.00 N ATOM 0 H LYS A 47 11.035 -0.763 2.029 1.00 0.00 H new ATOM 0 HA LYS A 47 13.268 0.216 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.977 -2.481 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.470 -2.338 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.432 -1.075 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.022 -0.724 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.483 -3.194 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.825 -3.456 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.651 -1.608 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.237 -1.980 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.295 -3.302 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.437 -4.309 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.806 -3.949 7.911 1.00 0.00 H new ATOM 779 N GLU A 48 13.737 -1.195 0.679 1.00 0.00 N ATOM 780 CA GLU A 48 14.736 -1.526 -0.331 1.00 0.00 C ATOM 781 C GLU A 48 15.803 -0.432 -0.419 1.00 0.00 C ATOM 782 O GLU A 48 15.501 0.705 -0.775 1.00 0.00 O ATOM 783 CB GLU A 48 14.062 -1.706 -1.693 1.00 0.00 C ATOM 784 CG GLU A 48 13.901 -3.162 -2.104 1.00 0.00 C ATOM 785 CD GLU A 48 13.152 -3.318 -3.413 1.00 0.00 C ATOM 786 OE1 GLU A 48 11.906 -3.395 -3.377 1.00 0.00 O ATOM 787 OE2 GLU A 48 13.811 -3.364 -4.472 1.00 0.00 O ATOM 0 H GLU A 48 12.775 -1.211 0.341 1.00 0.00 H new ATOM 0 HA GLU A 48 15.221 -2.459 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.080 -1.233 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.648 -1.186 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.885 -3.621 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.370 -3.701 -1.319 1.00 0.00 H new ATOM 794 N PRO A 49 17.067 -0.758 -0.093 1.00 0.00 N ATOM 795 CA PRO A 49 18.165 0.214 -0.140 1.00 0.00 C ATOM 796 C PRO A 49 18.257 0.923 -1.486 1.00 0.00 C ATOM 797 O PRO A 49 18.513 2.126 -1.548 1.00 0.00 O ATOM 798 CB PRO A 49 19.411 -0.639 0.103 1.00 0.00 C ATOM 799 CG PRO A 49 18.917 -1.826 0.855 1.00 0.00 C ATOM 800 CD PRO A 49 17.527 -2.089 0.347 1.00 0.00 C ATOM 0 HA PRO A 49 18.031 1.011 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.879 -0.932 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.160 -0.092 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.562 -2.689 0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.910 -1.633 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.528 -2.806 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.885 -2.499 1.127 1.00 0.00 H new ATOM 808 N LYS A 50 18.039 0.176 -2.562 1.00 0.00 N ATOM 809 CA LYS A 50 18.092 0.740 -3.906 1.00 0.00 C ATOM 810 C LYS A 50 16.745 1.351 -4.294 1.00 0.00 C ATOM 811 O LYS A 50 16.577 1.845 -5.408 1.00 0.00 O ATOM 812 CB LYS A 50 18.487 -0.337 -4.919 1.00 0.00 C ATOM 813 CG LYS A 50 19.984 -0.586 -4.988 1.00 0.00 C ATOM 814 CD LYS A 50 20.394 -1.763 -4.119 1.00 0.00 C ATOM 815 CE LYS A 50 21.698 -2.380 -4.596 1.00 0.00 C ATOM 816 NZ LYS A 50 22.868 -1.866 -3.830 1.00 0.00 N ATOM 0 H LYS A 50 17.824 -0.821 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 50 18.844 1.529 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.983 -1.269 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.130 -0.044 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.275 -0.777 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.518 0.308 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.503 -1.433 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.607 -2.517 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.645 -3.464 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.835 -2.165 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.738 -2.311 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.934 -0.835 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.750 -2.093 -2.822 1.00 0.00 H new ATOM 830 N MET A 51 15.791 1.309 -3.368 1.00 0.00 N ATOM 831 CA MET A 51 14.461 1.851 -3.612 1.00 0.00 C ATOM 832 C MET A 51 14.148 3.002 -2.657 1.00 0.00 C ATOM 833 O MET A 51 13.291 3.839 -2.943 1.00 0.00 O ATOM 834 CB MET A 51 13.414 0.748 -3.464 1.00 0.00 C ATOM 835 CG MET A 51 12.084 1.077 -4.121 1.00 0.00 C ATOM 836 SD MET A 51 12.242 1.416 -5.884 1.00 0.00 S ATOM 837 CE MET A 51 11.311 2.942 -6.018 1.00 0.00 C ATOM 0 H MET A 51 15.916 0.904 -2.440 1.00 0.00 H new ATOM 0 HA MET A 51 14.435 2.241 -4.630 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.805 -0.173 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.248 0.556 -2.404 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.396 0.244 -3.976 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.644 1.943 -3.627 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.672 3.514 -6.873 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.254 2.713 -6.155 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.440 3.528 -5.108 1.00 0.00 H new ATOM 847 N ALA A 52 14.847 3.045 -1.525 1.00 0.00 N ATOM 848 CA ALA A 52 14.637 4.098 -0.539 1.00 0.00 C ATOM 849 C ALA A 52 15.095 5.449 -1.076 1.00 0.00 C ATOM 850 O ALA A 52 14.539 6.490 -0.723 1.00 0.00 O ATOM 851 CB ALA A 52 15.366 3.766 0.753 1.00 0.00 C ATOM 0 H ALA A 52 15.562 2.364 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 52 13.569 4.161 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.200 4.562 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.988 2.825 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.434 3.673 0.555 1.00 0.00 H new ATOM 857 N ALA A 53 16.109 5.425 -1.933 1.00 0.00 N ATOM 858 CA ALA A 53 16.642 6.649 -2.521 1.00 0.00 C ATOM 859 C ALA A 53 15.848 7.068 -3.757 1.00 0.00 C ATOM 860 O ALA A 53 16.185 8.053 -4.415 1.00 0.00 O ATOM 861 CB ALA A 53 18.111 6.465 -2.875 1.00 0.00 C ATOM 0 H ALA A 53 16.579 4.572 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 53 16.549 7.444 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.498 7.385 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.675 6.227 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.213 5.651 -3.592 1.00 0.00 H new ATOM 867 N SER A 54 14.792 6.320 -4.072 1.00 0.00 N ATOM 868 CA SER A 54 13.959 6.624 -5.230 1.00 0.00 C ATOM 869 C SER A 54 12.539 6.985 -4.801 1.00 0.00 C ATOM 870 O SER A 54 11.908 7.863 -5.388 1.00 0.00 O ATOM 871 CB SER A 54 13.927 5.432 -6.189 1.00 0.00 C ATOM 872 OG SER A 54 15.218 5.158 -6.706 1.00 0.00 O ATOM 0 H SER A 54 14.495 5.501 -3.542 1.00 0.00 H new ATOM 0 HA SER A 54 14.393 7.482 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.546 4.553 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.240 5.640 -7.009 1.00 0.00 H new ATOM 0 HG SER A 54 15.171 4.391 -7.314 1.00 0.00 H new ATOM 878 N LEU A 55 12.044 6.300 -3.776 1.00 0.00 N ATOM 879 CA LEU A 55 10.698 6.547 -3.270 1.00 0.00 C ATOM 880 C LEU A 55 10.651 7.832 -2.448 1.00 0.00 C ATOM 881 O LEU A 55 9.619 8.501 -2.386 1.00 0.00 O ATOM 882 CB LEU A 55 10.227 5.363 -2.422 1.00 0.00 C ATOM 883 CG LEU A 55 8.851 4.806 -2.793 1.00 0.00 C ATOM 884 CD1 LEU A 55 8.841 4.329 -4.237 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.463 3.676 -1.852 1.00 0.00 C ATOM 0 H LEU A 55 12.554 5.570 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 55 10.030 6.662 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.961 4.561 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.208 5.670 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 55 8.116 5.604 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.855 3.936 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.075 5.164 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.587 3.545 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.482 3.292 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.199 2.875 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.429 4.050 -0.829 1.00 0.00 H new ATOM 897 N LEU A 56 11.771 8.169 -1.818 1.00 0.00 N ATOM 898 CA LEU A 56 11.854 9.372 -0.997 1.00 0.00 C ATOM 899 C LEU A 56 12.459 10.534 -1.781 1.00 0.00 C ATOM 900 O LEU A 56 12.234 11.699 -1.452 1.00 0.00 O ATOM 901 CB LEU A 56 12.688 9.101 0.257 1.00 0.00 C ATOM 902 CG LEU A 56 12.761 10.263 1.249 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.869 9.741 2.673 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.939 11.169 0.921 1.00 0.00 C ATOM 0 H LEU A 56 12.634 7.627 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 56 10.841 9.648 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.275 8.232 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.701 8.840 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 56 11.844 10.847 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.920 10.581 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.995 9.132 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.770 9.135 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.976 11.991 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.865 10.597 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.821 11.570 -0.086 1.00 0.00 H new ATOM 916 N ASN A 57 13.230 10.213 -2.817 1.00 0.00 N ATOM 917 CA ASN A 57 13.868 11.233 -3.640 1.00 0.00 C ATOM 918 C ASN A 57 12.827 12.158 -4.271 1.00 0.00 C ATOM 919 O ASN A 57 11.805 11.699 -4.781 1.00 0.00 O ATOM 920 CB ASN A 57 14.717 10.579 -4.732 1.00 0.00 C ATOM 921 CG ASN A 57 16.202 10.792 -4.515 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.898 11.320 -5.383 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.696 10.381 -3.354 1.00 0.00 N ATOM 0 H ASN A 57 13.427 9.255 -3.105 1.00 0.00 H new ATOM 0 HA ASN A 57 14.513 11.831 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.506 9.510 -4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.432 10.986 -5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.689 10.498 -3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.083 9.949 -2.663 1.00 0.00 H new ATOM 930 N PRO A 58 13.077 13.482 -4.251 1.00 0.00 N ATOM 931 CA PRO A 58 12.160 14.466 -4.828 1.00 0.00 C ATOM 932 C PRO A 58 12.302 14.578 -6.345 1.00 0.00 C ATOM 933 O PRO A 58 11.646 15.407 -6.977 1.00 0.00 O ATOM 934 CB PRO A 58 12.593 15.765 -4.154 1.00 0.00 C ATOM 935 CG PRO A 58 14.054 15.592 -3.917 1.00 0.00 C ATOM 936 CD PRO A 58 14.273 14.122 -3.668 1.00 0.00 C ATOM 0 HA PRO A 58 11.115 14.203 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.393 16.628 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.055 15.926 -3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.630 15.930 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.382 16.184 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.188 13.768 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.363 13.906 -2.603 1.00 0.00 H new ATOM 944 N TYR A 59 13.160 13.743 -6.922 1.00 0.00 N ATOM 945 CA TYR A 59 13.387 13.751 -8.362 1.00 0.00 C ATOM 946 C TYR A 59 12.391 12.844 -9.079 1.00 0.00 C ATOM 947 O TYR A 59 12.097 13.041 -10.258 1.00 0.00 O ATOM 948 CB TYR A 59 14.818 13.304 -8.669 1.00 0.00 C ATOM 949 CG TYR A 59 15.870 14.276 -8.187 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.988 14.589 -6.839 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.745 14.883 -9.080 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.947 15.477 -6.393 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.707 15.773 -8.642 1.00 0.00 C ATOM 954 CZ TYR A 59 17.804 16.067 -7.297 1.00 0.00 C ATOM 955 OH TYR A 59 18.761 16.953 -6.858 1.00 0.00 O ATOM 0 H TYR A 59 13.710 13.051 -6.413 1.00 0.00 H new ATOM 0 HA TYR A 59 13.242 14.769 -8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.994 12.332 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.925 13.169 -9.745 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.318 14.130 -6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.672 14.655 -10.133 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.025 15.708 -5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.380 16.236 -9.349 1.00 0.00 H new ATOM 0 HH TYR A 59 19.282 17.277 -7.622 1.00 0.00 H new ATOM 965 N VAL A 60 11.875 11.851 -8.360 1.00 0.00 N ATOM 966 CA VAL A 60 10.911 10.917 -8.934 1.00 0.00 C ATOM 967 C VAL A 60 9.502 11.509 -8.961 1.00 0.00 C ATOM 968 O VAL A 60 8.560 10.863 -9.419 1.00 0.00 O ATOM 969 CB VAL A 60 10.881 9.586 -8.156 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.192 8.506 -8.975 1.00 0.00 C ATOM 971 CG2 VAL A 60 12.288 9.154 -7.773 1.00 0.00 C ATOM 0 H VAL A 60 12.107 11.673 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 60 11.237 10.727 -9.956 1.00 0.00 H new ATOM 0 HB VAL A 60 10.312 9.738 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.180 7.574 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.169 8.812 -9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.733 8.357 -9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.243 8.213 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.886 9.021 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.745 9.918 -7.144 1.00 0.00 H new ATOM 981 N LYS A 61 9.361 12.740 -8.471 1.00 0.00 N ATOM 982 CA LYS A 61 8.065 13.409 -8.448 1.00 0.00 C ATOM 983 C LYS A 61 7.035 12.588 -7.679 1.00 0.00 C ATOM 984 O LYS A 61 7.350 11.531 -7.131 1.00 0.00 O ATOM 985 CB LYS A 61 7.572 13.658 -9.875 1.00 0.00 C ATOM 986 CG LYS A 61 8.502 14.536 -10.695 1.00 0.00 C ATOM 987 CD LYS A 61 7.728 15.406 -11.674 1.00 0.00 C ATOM 988 CE LYS A 61 8.561 16.585 -12.149 1.00 0.00 C ATOM 989 NZ LYS A 61 7.939 17.269 -13.317 1.00 0.00 N ATOM 0 H LYS A 61 10.128 13.292 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 61 8.190 14.365 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.450 12.700 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.588 14.124 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.088 15.169 -10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.207 13.910 -11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.421 14.807 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.818 15.770 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.681 17.297 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.559 16.239 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.537 18.067 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.848 16.596 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.997 17.622 -13.052 1.00 0.00 H new ATOM 1003 N ARG A 62 5.801 13.081 -7.645 1.00 0.00 N ATOM 1004 CA ARG A 62 4.721 12.397 -6.945 1.00 0.00 C ATOM 1005 C ARG A 62 3.808 11.675 -7.932 1.00 0.00 C ATOM 1006 O ARG A 62 3.232 10.634 -7.614 1.00 0.00 O ATOM 1007 CB ARG A 62 3.911 13.395 -6.115 1.00 0.00 C ATOM 1008 CG ARG A 62 2.748 12.764 -5.366 1.00 0.00 C ATOM 1009 CD ARG A 62 1.421 13.050 -6.052 1.00 0.00 C ATOM 1010 NE ARG A 62 1.234 14.477 -6.307 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.363 14.965 -7.187 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.404 14.146 -7.897 1.00 0.00 N ATOM 1013 NH2 ARG A 62 0.256 16.275 -7.357 1.00 0.00 N ATOM 0 H ARG A 62 5.524 13.953 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 62 5.162 11.657 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.573 13.880 -5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.528 14.175 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.899 11.687 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.721 13.146 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.375 12.504 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.605 12.683 -5.430 1.00 0.00 H new ATOM 0 HE ARG A 62 1.805 15.138 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.327 13.137 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.070 14.526 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.841 16.909 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.412 16.649 -8.031 1.00 0.00 H new ATOM 1027 N SER A 63 3.681 12.235 -9.131 1.00 0.00 N ATOM 1028 CA SER A 63 2.838 11.645 -10.164 1.00 0.00 C ATOM 1029 C SER A 63 3.622 10.632 -10.992 1.00 0.00 C ATOM 1030 O SER A 63 3.113 9.562 -11.326 1.00 0.00 O ATOM 1031 CB SER A 63 2.270 12.736 -11.074 1.00 0.00 C ATOM 1032 OG SER A 63 1.146 12.265 -11.796 1.00 0.00 O ATOM 0 H SER A 63 4.151 13.096 -9.411 1.00 0.00 H new ATOM 0 HA SER A 63 2.014 11.127 -9.674 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.985 13.601 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.039 13.070 -11.770 1.00 0.00 H new ATOM 0 HG SER A 63 0.801 12.982 -12.369 1.00 0.00 H new ATOM 1038 N VAL A 64 4.864 10.975 -11.318 1.00 0.00 N ATOM 1039 CA VAL A 64 5.717 10.093 -12.106 1.00 0.00 C ATOM 1040 C VAL A 64 5.915 8.755 -11.401 1.00 0.00 C ATOM 1041 O VAL A 64 5.783 7.695 -12.013 1.00 0.00 O ATOM 1042 CB VAL A 64 7.094 10.732 -12.372 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.920 9.859 -13.305 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.932 12.132 -12.945 1.00 0.00 C ATOM 0 H VAL A 64 5.302 11.856 -11.049 1.00 0.00 H new ATOM 0 HA VAL A 64 5.214 9.930 -13.059 1.00 0.00 H new ATOM 0 HB VAL A 64 7.625 10.811 -11.423 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.888 10.328 -13.480 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.068 8.879 -12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.396 9.743 -14.254 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.915 12.567 -13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.380 12.079 -13.883 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.385 12.754 -12.237 1.00 0.00 H new ATOM 1054 N LYS A 65 6.229 8.811 -10.111 1.00 0.00 N ATOM 1055 CA LYS A 65 6.441 7.603 -9.320 1.00 0.00 C ATOM 1056 C LYS A 65 5.231 6.678 -9.400 1.00 0.00 C ATOM 1057 O LYS A 65 5.367 5.456 -9.344 1.00 0.00 O ATOM 1058 CB LYS A 65 6.721 7.967 -7.860 1.00 0.00 C ATOM 1059 CG LYS A 65 6.967 6.761 -6.966 1.00 0.00 C ATOM 1060 CD LYS A 65 8.448 6.562 -6.685 1.00 0.00 C ATOM 1061 CE LYS A 65 8.991 5.328 -7.388 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.700 5.346 -8.848 1.00 0.00 N ATOM 0 H LYS A 65 6.343 9.681 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 65 7.304 7.079 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.591 8.622 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.876 8.533 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.432 6.890 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.563 5.867 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.002 7.441 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.606 6.468 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.068 5.267 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.554 4.435 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.253 4.603 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.686 5.174 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.957 6.273 -9.242 1.00 0.00 H new ATOM 1076 N VAL A 66 4.048 7.269 -9.532 1.00 0.00 N ATOM 1077 CA VAL A 66 2.813 6.498 -9.620 1.00 0.00 C ATOM 1078 C VAL A 66 2.817 5.593 -10.849 1.00 0.00 C ATOM 1079 O VAL A 66 2.470 4.415 -10.765 1.00 0.00 O ATOM 1080 CB VAL A 66 1.578 7.417 -9.676 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.297 6.599 -9.614 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.620 8.439 -8.549 1.00 0.00 C ATOM 0 H VAL A 66 3.918 8.280 -9.580 1.00 0.00 H new ATOM 0 HA VAL A 66 2.758 5.885 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 66 1.593 7.954 -10.624 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.563 7.267 -9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.263 5.911 -10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.272 6.032 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.739 9.079 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.632 7.922 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.518 9.049 -8.644 1.00 0.00 H new ATOM 1092 N LYS A 67 3.210 6.154 -11.988 1.00 0.00 N ATOM 1093 CA LYS A 67 3.258 5.397 -13.234 1.00 0.00 C ATOM 1094 C LYS A 67 4.231 4.228 -13.126 1.00 0.00 C ATOM 1095 O LYS A 67 3.980 3.147 -13.661 1.00 0.00 O ATOM 1096 CB LYS A 67 3.665 6.310 -14.392 1.00 0.00 C ATOM 1097 CG LYS A 67 3.371 5.722 -15.763 1.00 0.00 C ATOM 1098 CD LYS A 67 4.084 6.489 -16.864 1.00 0.00 C ATOM 1099 CE LYS A 67 3.323 7.748 -17.249 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.225 8.796 -17.799 1.00 0.00 N ATOM 0 H LYS A 67 3.499 7.128 -12.074 1.00 0.00 H new ATOM 0 HA LYS A 67 2.262 4.998 -13.426 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.142 7.262 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.731 6.523 -14.318 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.682 4.678 -15.786 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.296 5.739 -15.944 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.087 6.756 -16.532 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.198 5.849 -17.739 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.562 7.500 -17.988 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.803 8.139 -16.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.667 9.638 -18.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.936 9.052 -17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.703 8.432 -18.648 1.00 0.00 H new ATOM 1114 N SER A 68 5.342 4.451 -12.433 1.00 0.00 N ATOM 1115 CA SER A 68 6.353 3.415 -12.255 1.00 0.00 C ATOM 1116 C SER A 68 5.825 2.282 -11.383 1.00 0.00 C ATOM 1117 O SER A 68 6.143 1.113 -11.605 1.00 0.00 O ATOM 1118 CB SER A 68 7.618 4.008 -11.632 1.00 0.00 C ATOM 1119 OG SER A 68 7.655 5.416 -11.787 1.00 0.00 O ATOM 0 H SER A 68 5.566 5.340 -11.985 1.00 0.00 H new ATOM 0 HA SER A 68 6.597 3.009 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.657 3.755 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.498 3.565 -12.098 1.00 0.00 H new ATOM 0 HG SER A 68 8.473 5.769 -11.378 1.00 0.00 H new ATOM 1125 N LEU A 69 5.018 2.635 -10.387 1.00 0.00 N ATOM 1126 CA LEU A 69 4.445 1.648 -9.480 1.00 0.00 C ATOM 1127 C LEU A 69 3.471 0.730 -10.213 1.00 0.00 C ATOM 1128 O LEU A 69 3.378 -0.459 -9.914 1.00 0.00 O ATOM 1129 CB LEU A 69 3.737 2.346 -8.316 1.00 0.00 C ATOM 1130 CG LEU A 69 4.364 2.109 -6.941 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.749 2.733 -6.871 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.469 2.666 -5.844 1.00 0.00 C ATOM 0 H LEU A 69 4.746 3.598 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 69 5.258 1.038 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.721 3.418 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.700 2.011 -8.288 1.00 0.00 H new ATOM 0 HG LEU A 69 4.465 1.034 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.179 2.554 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.388 2.286 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.674 3.806 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.931 2.489 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.336 3.738 -5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.498 2.171 -5.880 1.00 0.00 H new ATOM 1144 N SER A 70 2.744 1.293 -11.172 1.00 0.00 N ATOM 1145 CA SER A 70 1.774 0.527 -11.946 1.00 0.00 C ATOM 1146 C SER A 70 2.468 -0.515 -12.814 1.00 0.00 C ATOM 1147 O SER A 70 2.010 -1.651 -12.922 1.00 0.00 O ATOM 1148 CB SER A 70 0.930 1.458 -12.817 1.00 0.00 C ATOM 1149 OG SER A 70 0.202 2.380 -12.023 1.00 0.00 O ATOM 0 H SER A 70 2.808 2.277 -11.432 1.00 0.00 H new ATOM 0 HA SER A 70 1.119 0.009 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.576 1.999 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.240 0.869 -13.421 1.00 0.00 H new ATOM 0 HG SER A 70 0.820 3.029 -11.626 1.00 0.00 H new ATOM 1155 N ASP A 71 3.582 -0.129 -13.423 1.00 0.00 N ATOM 1156 CA ASP A 71 4.337 -1.046 -14.265 1.00 0.00 C ATOM 1157 C ASP A 71 5.250 -1.906 -13.405 1.00 0.00 C ATOM 1158 O ASP A 71 5.544 -3.052 -13.743 1.00 0.00 O ATOM 1159 CB ASP A 71 5.154 -0.277 -15.304 1.00 0.00 C ATOM 1160 CG ASP A 71 4.285 0.565 -16.216 1.00 0.00 C ATOM 1161 OD1 ASP A 71 3.187 0.098 -16.587 1.00 0.00 O ATOM 1162 OD2 ASP A 71 4.701 1.691 -16.560 1.00 0.00 O ATOM 0 H ASP A 71 3.980 0.807 -13.350 1.00 0.00 H new ATOM 0 HA ASP A 71 3.636 -1.692 -14.794 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.871 0.367 -14.794 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.729 -0.982 -15.904 1.00 0.00 H new ATOM 1167 N MET A 72 5.680 -1.348 -12.280 1.00 0.00 N ATOM 1168 CA MET A 72 6.541 -2.067 -11.357 1.00 0.00 C ATOM 1169 C MET A 72 5.723 -3.055 -10.543 1.00 0.00 C ATOM 1170 O MET A 72 6.238 -4.087 -10.114 1.00 0.00 O ATOM 1171 CB MET A 72 7.272 -1.091 -10.431 1.00 0.00 C ATOM 1172 CG MET A 72 8.136 -1.775 -9.384 1.00 0.00 C ATOM 1173 SD MET A 72 8.782 -0.622 -8.156 1.00 0.00 S ATOM 1174 CE MET A 72 7.288 -0.215 -7.257 1.00 0.00 C ATOM 0 H MET A 72 5.445 -0.400 -11.987 1.00 0.00 H new ATOM 0 HA MET A 72 7.286 -2.616 -11.933 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.898 -0.433 -11.033 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.538 -0.461 -9.929 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.550 -2.545 -8.881 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.968 -2.278 -9.877 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.510 0.545 -6.508 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.539 0.167 -7.950 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.904 -1.109 -6.765 1.00 0.00 H new ATOM 1184 N THR A 73 4.441 -2.752 -10.345 1.00 0.00 N ATOM 1185 CA THR A 73 3.586 -3.653 -9.595 1.00 0.00 C ATOM 1186 C THR A 73 3.459 -4.974 -10.330 1.00 0.00 C ATOM 1187 O THR A 73 3.311 -6.027 -9.709 1.00 0.00 O ATOM 1188 CB THR A 73 2.203 -3.061 -9.356 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.464 -3.920 -8.518 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.388 -2.869 -10.608 1.00 0.00 C ATOM 0 H THR A 73 3.984 -1.907 -10.688 1.00 0.00 H new ATOM 0 HA THR A 73 4.050 -3.813 -8.622 1.00 0.00 H new ATOM 0 HB THR A 73 2.380 -2.081 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.962 -4.076 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.418 -2.444 -10.349 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.912 -2.193 -11.283 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.243 -3.831 -11.099 1.00 0.00 H new ATOM 1198 N ALA A 74 3.540 -4.920 -11.658 1.00 0.00 N ATOM 1199 CA ALA A 74 3.456 -6.129 -12.460 1.00 0.00 C ATOM 1200 C ALA A 74 4.422 -7.174 -11.917 1.00 0.00 C ATOM 1201 O ALA A 74 4.188 -8.377 -12.039 1.00 0.00 O ATOM 1202 CB ALA A 74 3.759 -5.825 -13.920 1.00 0.00 C ATOM 0 H ALA A 74 3.662 -4.060 -12.193 1.00 0.00 H new ATOM 0 HA ALA A 74 2.441 -6.523 -12.402 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.691 -6.743 -14.504 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.038 -5.100 -14.298 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.765 -5.414 -14.005 1.00 0.00 H new ATOM 1208 N LYS A 75 5.504 -6.700 -11.300 1.00 0.00 N ATOM 1209 CA LYS A 75 6.499 -7.588 -10.721 1.00 0.00 C ATOM 1210 C LYS A 75 6.315 -7.706 -9.210 1.00 0.00 C ATOM 1211 O LYS A 75 6.763 -8.677 -8.600 1.00 0.00 O ATOM 1212 CB LYS A 75 7.910 -7.095 -11.043 1.00 0.00 C ATOM 1213 CG LYS A 75 8.455 -7.627 -12.358 1.00 0.00 C ATOM 1214 CD LYS A 75 7.587 -7.205 -13.533 1.00 0.00 C ATOM 1215 CE LYS A 75 8.404 -7.067 -14.807 1.00 0.00 C ATOM 1216 NZ LYS A 75 7.869 -5.999 -15.696 1.00 0.00 N ATOM 0 H LYS A 75 5.709 -5.707 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 75 6.363 -8.576 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.907 -6.005 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.581 -7.388 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.471 -7.262 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.510 -8.715 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.796 -7.939 -13.685 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.102 -6.256 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.440 -6.842 -14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.407 -8.017 -15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.454 -5.936 -16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.889 -6.226 -15.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.890 -5.088 -15.195 1.00 0.00 H new ATOM 1230 N GLU A 76 5.652 -6.722 -8.606 1.00 0.00 N ATOM 1231 CA GLU A 76 5.416 -6.742 -7.171 1.00 0.00 C ATOM 1232 C GLU A 76 4.374 -7.795 -6.816 1.00 0.00 C ATOM 1233 O GLU A 76 4.683 -8.779 -6.144 1.00 0.00 O ATOM 1234 CB GLU A 76 4.955 -5.365 -6.687 1.00 0.00 C ATOM 1235 CG GLU A 76 5.924 -4.245 -7.031 1.00 0.00 C ATOM 1236 CD GLU A 76 6.937 -3.993 -5.931 1.00 0.00 C ATOM 1237 OE1 GLU A 76 6.671 -4.391 -4.777 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.994 -3.396 -6.224 1.00 0.00 O ATOM 0 H GLU A 76 5.272 -5.907 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 76 6.352 -6.995 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.983 -5.141 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.817 -5.396 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.449 -4.494 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.363 -3.330 -7.220 1.00 0.00 H new ATOM 1245 N LYS A 77 3.142 -7.581 -7.285 1.00 0.00 N ATOM 1246 CA LYS A 77 2.028 -8.504 -7.038 1.00 0.00 C ATOM 1247 C LYS A 77 0.682 -7.791 -7.167 1.00 0.00 C ATOM 1248 O LYS A 77 -0.310 -8.392 -7.580 1.00 0.00 O ATOM 1249 CB LYS A 77 2.124 -9.149 -5.649 1.00 0.00 C ATOM 1250 CG LYS A 77 2.399 -8.159 -4.526 1.00 0.00 C ATOM 1251 CD LYS A 77 2.249 -8.812 -3.162 1.00 0.00 C ATOM 1252 CE LYS A 77 3.219 -9.970 -2.990 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.571 -11.283 -3.263 1.00 0.00 N ATOM 0 H LYS A 77 2.888 -6.767 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 77 2.096 -9.286 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.192 -9.673 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.915 -9.898 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.407 -7.759 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.712 -7.317 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.423 -8.071 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.227 -9.171 -3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.066 -9.837 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.614 -9.965 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.015 -12.018 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.558 -11.224 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.688 -11.526 -4.268 1.00 0.00 H new ATOM 1267 N PHE A 78 0.650 -6.511 -6.796 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.574 -5.716 -6.854 1.00 0.00 C ATOM 1269 C PHE A 78 -1.260 -5.819 -8.194 1.00 0.00 C ATOM 1270 O PHE A 78 -0.828 -6.552 -9.083 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.281 -4.242 -6.591 1.00 0.00 C ATOM 1272 CG PHE A 78 0.823 -4.020 -5.617 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.793 -4.632 -4.380 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.898 -3.221 -5.951 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.827 -4.444 -3.485 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.931 -3.025 -5.064 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.899 -3.637 -3.827 1.00 0.00 C ATOM 0 H PHE A 78 1.463 -6.001 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.230 -6.119 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.026 -3.757 -7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.185 -3.761 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.043 -5.261 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.928 -2.744 -6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.800 -4.926 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.765 -2.394 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.708 -3.487 -3.128 1.00 0.00 H new ATOM 1287 N SER A 79 -2.326 -5.036 -8.318 1.00 0.00 N ATOM 1288 CA SER A 79 -3.117 -4.959 -9.537 1.00 0.00 C ATOM 1289 C SER A 79 -4.609 -4.860 -9.233 1.00 0.00 C ATOM 1290 O SER A 79 -5.334 -4.137 -9.915 1.00 0.00 O ATOM 1291 CB SER A 79 -2.866 -6.156 -10.463 1.00 0.00 C ATOM 1292 OG SER A 79 -3.877 -6.259 -11.452 1.00 0.00 O ATOM 0 H SER A 79 -2.667 -4.433 -7.569 1.00 0.00 H new ATOM 0 HA SER A 79 -2.797 -4.051 -10.049 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.893 -6.050 -10.943 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.833 -7.073 -9.875 1.00 0.00 H new ATOM 0 HG SER A 79 -3.692 -7.029 -12.030 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.113 -5.623 -8.249 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.523 -5.635 -7.926 1.00 0.00 C ATOM 1300 C PRO A 80 -6.925 -4.775 -6.734 1.00 0.00 C ATOM 1301 O PRO A 80 -7.537 -3.722 -6.913 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.762 -7.114 -7.634 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.440 -7.645 -7.142 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.389 -6.587 -7.420 1.00 0.00 C ATOM 0 HA PRO A 80 -7.119 -5.209 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.542 -7.245 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.089 -7.643 -8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.489 -7.865 -6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.189 -8.577 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.019 -6.133 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.526 -7.001 -7.941 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.598 -5.210 -5.522 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.964 -4.438 -4.344 1.00 0.00 C ATOM 1314 C LEU A 81 -5.811 -3.553 -3.932 1.00 0.00 C ATOM 1315 O LEU A 81 -5.845 -2.899 -2.892 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.365 -5.353 -3.194 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.849 -5.719 -3.150 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.699 -4.484 -2.885 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.271 -6.388 -4.449 1.00 0.00 C ATOM 0 H LEU A 81 -6.091 -6.075 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.823 -3.815 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.781 -6.271 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.097 -4.870 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.004 -6.423 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.752 -4.766 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.416 -4.046 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.539 -3.755 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.330 -6.642 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.099 -5.706 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.687 -7.296 -4.597 1.00 0.00 H new ATOM 1331 N THR A 82 -4.791 -3.544 -4.768 1.00 0.00 N ATOM 1332 CA THR A 82 -3.616 -2.755 -4.526 1.00 0.00 C ATOM 1333 C THR A 82 -3.328 -1.843 -5.713 1.00 0.00 C ATOM 1334 O THR A 82 -2.385 -1.058 -5.681 1.00 0.00 O ATOM 1335 CB THR A 82 -2.437 -3.665 -4.239 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.854 -5.018 -4.165 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.734 -3.323 -2.942 1.00 0.00 C ATOM 0 H THR A 82 -4.761 -4.086 -5.632 1.00 0.00 H new ATOM 0 HA THR A 82 -3.786 -2.122 -3.655 1.00 0.00 H new ATOM 0 HB THR A 82 -1.740 -3.518 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.385 -5.153 -3.352 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.899 -4.007 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.361 -2.300 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.435 -3.416 -2.113 1.00 0.00 H new ATOM 1345 N SER A 83 -4.158 -1.925 -6.758 1.00 0.00 N ATOM 1346 CA SER A 83 -3.971 -1.072 -7.920 1.00 0.00 C ATOM 1347 C SER A 83 -4.719 0.242 -7.737 1.00 0.00 C ATOM 1348 O SER A 83 -5.157 0.874 -8.699 1.00 0.00 O ATOM 1349 CB SER A 83 -4.437 -1.764 -9.197 1.00 0.00 C ATOM 1350 OG SER A 83 -4.449 -0.865 -10.292 1.00 0.00 O ATOM 0 H SER A 83 -4.951 -2.564 -6.817 1.00 0.00 H new ATOM 0 HA SER A 83 -2.905 -0.867 -8.015 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.779 -2.604 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.436 -2.173 -9.048 1.00 0.00 H new ATOM 0 HG SER A 83 -4.897 -0.034 -10.028 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.837 0.641 -6.486 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.499 1.875 -6.102 1.00 0.00 C ATOM 1358 C ASN A 84 -4.755 2.424 -4.907 1.00 0.00 C ATOM 1359 O ASN A 84 -4.408 3.604 -4.850 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.968 1.625 -5.755 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.878 1.762 -6.960 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.108 2.865 -7.457 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.403 0.639 -7.437 1.00 0.00 N ATOM 0 H ASN A 84 -4.471 0.111 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.486 2.587 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.074 0.625 -5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.281 2.329 -4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.023 0.669 -8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.186 -0.254 -6.994 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.458 1.522 -3.980 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.691 1.864 -2.807 1.00 0.00 C ATOM 1372 C LEU A 85 -2.258 2.158 -3.239 1.00 0.00 C ATOM 1373 O LEU A 85 -1.504 2.810 -2.518 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.725 0.712 -1.792 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.684 0.794 -0.673 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.191 0.096 0.581 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.365 0.186 -1.127 1.00 0.00 C ATOM 0 H LEU A 85 -4.743 0.544 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.118 2.743 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.717 0.676 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.585 -0.227 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.515 1.844 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.437 0.165 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.110 0.575 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.389 -0.953 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.636 0.253 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.519 -0.860 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.994 0.729 -1.996 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.887 1.679 -4.439 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.552 1.909 -4.958 1.00 0.00 C ATOM 1391 C ILE A 86 -0.374 3.377 -5.336 1.00 0.00 C ATOM 1392 O ILE A 86 0.570 4.033 -4.895 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.246 0.998 -6.178 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.724 -0.114 -5.775 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.323 1.792 -7.350 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.128 -1.119 -4.815 1.00 0.00 C ATOM 0 H ILE A 86 -2.495 1.137 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 86 0.156 1.656 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.188 0.556 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.059 -0.635 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.607 0.333 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.523 1.118 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.397 2.549 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.250 2.277 -7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.873 -1.878 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.181 -0.611 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.738 -1.594 -5.277 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.294 3.886 -6.148 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.243 5.276 -6.578 1.00 0.00 C ATOM 1410 C ASN A 87 -1.452 6.207 -5.391 1.00 0.00 C ATOM 1411 O ASN A 87 -0.895 7.302 -5.342 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.305 5.543 -7.646 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.097 4.703 -8.892 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.024 4.137 -9.100 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.126 4.617 -9.726 1.00 0.00 N ATOM 0 H ASN A 87 -2.082 3.357 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.259 5.468 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.292 5.336 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.287 6.599 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.046 4.065 -10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.997 5.103 -9.513 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.258 5.758 -4.433 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.541 6.547 -3.241 1.00 0.00 C ATOM 1424 C LEU A 88 -1.290 6.706 -2.384 1.00 0.00 C ATOM 1425 O LEU A 88 -1.078 7.751 -1.770 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.655 5.891 -2.422 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.522 6.859 -1.616 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.561 7.516 -2.511 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.194 6.135 -0.459 1.00 0.00 C ATOM 0 H LEU A 88 -2.726 4.852 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.869 7.536 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.298 5.328 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.206 5.172 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.879 7.639 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.169 8.201 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.060 8.068 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.200 6.750 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.807 6.839 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.824 5.335 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.433 5.712 0.197 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.462 5.666 -2.346 1.00 0.00 N ATOM 1442 CA LEU A 89 0.765 5.706 -1.562 1.00 0.00 C ATOM 1443 C LEU A 89 1.839 6.512 -2.282 1.00 0.00 C ATOM 1444 O LEU A 89 2.634 7.212 -1.655 1.00 0.00 O ATOM 1445 CB LEU A 89 1.266 4.287 -1.287 1.00 0.00 C ATOM 1446 CG LEU A 89 0.917 3.747 0.097 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.550 3.356 0.160 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.803 2.563 0.453 1.00 0.00 C ATOM 0 H LEU A 89 -0.618 4.791 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 89 0.548 6.193 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.850 3.617 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.349 4.269 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 89 1.095 4.536 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.782 2.973 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.169 4.230 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.753 2.585 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.537 2.194 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.661 1.769 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.847 2.876 0.451 1.00 0.00 H new ATOM 1460 N ALA A 90 1.850 6.409 -3.603 1.00 0.00 N ATOM 1461 CA ALA A 90 2.820 7.126 -4.421 1.00 0.00 C ATOM 1462 C ALA A 90 2.322 8.523 -4.794 1.00 0.00 C ATOM 1463 O ALA A 90 3.040 9.293 -5.431 1.00 0.00 O ATOM 1464 CB ALA A 90 3.141 6.329 -5.676 1.00 0.00 C ATOM 0 H ALA A 90 1.196 5.834 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 90 3.728 7.245 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.867 6.875 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.557 5.361 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.229 6.178 -6.254 1.00 0.00 H new ATOM 1470 N GLU A 91 1.092 8.850 -4.397 1.00 0.00 N ATOM 1471 CA GLU A 91 0.520 10.158 -4.700 1.00 0.00 C ATOM 1472 C GLU A 91 0.392 11.004 -3.438 1.00 0.00 C ATOM 1473 O GLU A 91 1.087 12.008 -3.279 1.00 0.00 O ATOM 1474 CB GLU A 91 -0.851 10.001 -5.361 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.477 11.320 -5.784 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.984 11.232 -5.924 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.643 10.776 -4.966 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.506 11.618 -6.991 1.00 0.00 O ATOM 0 H GLU A 91 0.478 8.231 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 91 1.193 10.666 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.752 9.358 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.523 9.495 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.228 12.088 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.045 11.635 -6.734 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.503 10.595 -2.544 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.725 11.317 -1.296 1.00 0.00 C ATOM 1487 C ASN A 92 0.581 11.498 -0.526 1.00 0.00 C ATOM 1488 O ASN A 92 0.718 12.424 0.274 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.742 10.576 -0.427 1.00 0.00 C ATOM 1490 CG ASN A 92 -3.170 10.811 -0.880 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -3.618 10.245 -1.878 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.893 11.650 -0.148 1.00 0.00 N ATOM 0 H ASN A 92 -1.087 9.767 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.117 12.303 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.527 9.508 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.634 10.899 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.860 11.848 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.481 12.097 0.671 1.00 0.00 H new ATOM 1499 N GLY A 93 1.538 10.609 -0.772 1.00 0.00 N ATOM 1500 CA GLY A 93 2.817 10.690 -0.093 1.00 0.00 C ATOM 1501 C GLY A 93 2.907 9.744 1.087 1.00 0.00 C ATOM 1502 O GLY A 93 3.532 10.059 2.099 1.00 0.00 O ATOM 0 H GLY A 93 1.450 9.834 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.615 10.462 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.978 11.712 0.251 1.00 0.00 H new ATOM 1506 N ARG A 94 2.279 8.579 0.956 1.00 0.00 N ATOM 1507 CA ARG A 94 2.290 7.582 2.020 1.00 0.00 C ATOM 1508 C ARG A 94 3.369 6.530 1.776 1.00 0.00 C ATOM 1509 O ARG A 94 3.269 5.403 2.259 1.00 0.00 O ATOM 1510 CB ARG A 94 0.920 6.911 2.130 1.00 0.00 C ATOM 1511 CG ARG A 94 0.040 7.501 3.220 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.240 8.975 2.974 1.00 0.00 C ATOM 1513 NE ARG A 94 0.759 9.834 3.605 1.00 0.00 N ATOM 1514 CZ ARG A 94 0.728 11.163 3.560 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.250 11.790 2.917 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.676 11.869 4.162 1.00 0.00 N ATOM 0 H ARG A 94 1.757 8.303 0.124 1.00 0.00 H new ATOM 0 HA ARG A 94 2.515 8.091 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.405 6.996 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.060 5.847 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.901 6.953 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.527 7.379 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.257 9.167 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.229 9.225 3.359 1.00 0.00 H new ATOM 0 HE ARG A 94 1.525 9.388 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.983 11.252 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.268 12.809 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.429 11.393 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.652 12.888 4.128 1.00 0.00 H new ATOM 1530 N LEU A 95 4.402 6.906 1.026 1.00 0.00 N ATOM 1531 CA LEU A 95 5.498 5.990 0.726 1.00 0.00 C ATOM 1532 C LEU A 95 6.688 6.247 1.645 1.00 0.00 C ATOM 1533 O LEU A 95 7.826 5.918 1.309 1.00 0.00 O ATOM 1534 CB LEU A 95 5.925 6.130 -0.735 1.00 0.00 C ATOM 1535 CG LEU A 95 5.126 5.283 -1.728 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.518 5.625 -3.157 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.336 3.801 -1.454 1.00 0.00 C ATOM 0 H LEU A 95 4.503 7.835 0.617 1.00 0.00 H new ATOM 0 HA LEU A 95 5.144 4.973 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.840 7.178 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.978 5.861 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 95 4.067 5.509 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.940 5.013 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.315 6.679 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.581 5.429 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.760 3.214 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.394 3.559 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.004 3.567 -0.442 1.00 0.00 H new ATOM 1549 N THR A 96 6.417 6.828 2.809 1.00 0.00 N ATOM 1550 CA THR A 96 7.461 7.121 3.782 1.00 0.00 C ATOM 1551 C THR A 96 7.283 6.254 5.023 1.00 0.00 C ATOM 1552 O THR A 96 8.256 5.781 5.611 1.00 0.00 O ATOM 1553 CB THR A 96 7.431 8.600 4.169 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.448 9.420 3.014 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.595 9.010 5.042 1.00 0.00 C ATOM 0 H THR A 96 5.480 7.106 3.101 1.00 0.00 H new ATOM 0 HA THR A 96 8.427 6.897 3.330 1.00 0.00 H new ATOM 0 HB THR A 96 6.509 8.735 4.734 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.427 10.363 3.282 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.515 10.070 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.581 8.428 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.530 8.827 4.512 1.00 0.00 H new ATOM 1563 N ASN A 97 6.029 6.044 5.405 1.00 0.00 N ATOM 1564 CA ASN A 97 5.706 5.225 6.566 1.00 0.00 C ATOM 1565 C ASN A 97 4.764 4.091 6.173 1.00 0.00 C ATOM 1566 O ASN A 97 4.000 3.589 6.999 1.00 0.00 O ATOM 1567 CB ASN A 97 5.067 6.081 7.661 1.00 0.00 C ATOM 1568 CG ASN A 97 6.059 7.027 8.308 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.679 6.698 9.320 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.216 8.210 7.725 1.00 0.00 N ATOM 0 H ASN A 97 5.217 6.431 4.925 1.00 0.00 H new ATOM 0 HA ASN A 97 6.631 4.795 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.245 6.656 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.639 5.430 8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.871 8.888 8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.681 8.441 6.887 1.00 0.00 H new ATOM 1577 N THR A 98 4.820 3.696 4.901 1.00 0.00 N ATOM 1578 CA THR A 98 3.969 2.624 4.389 1.00 0.00 C ATOM 1579 C THR A 98 3.946 1.407 5.322 1.00 0.00 C ATOM 1580 O THR A 98 2.873 0.886 5.626 1.00 0.00 O ATOM 1581 CB THR A 98 4.392 2.208 2.969 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.925 0.903 2.670 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.889 2.219 2.730 1.00 0.00 C ATOM 0 H THR A 98 5.446 4.103 4.207 1.00 0.00 H new ATOM 0 HA THR A 98 2.955 3.022 4.346 1.00 0.00 H new ATOM 0 HB THR A 98 3.943 2.960 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.615 0.414 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.096 1.913 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.276 3.225 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.373 1.527 3.420 1.00 0.00 H new ATOM 1591 N PRO A 99 5.114 0.927 5.799 1.00 0.00 N ATOM 1592 CA PRO A 99 5.171 -0.232 6.696 1.00 0.00 C ATOM 1593 C PRO A 99 4.237 -0.081 7.891 1.00 0.00 C ATOM 1594 O PRO A 99 3.770 -1.070 8.456 1.00 0.00 O ATOM 1595 CB PRO A 99 6.637 -0.277 7.159 1.00 0.00 C ATOM 1596 CG PRO A 99 7.233 1.022 6.729 1.00 0.00 C ATOM 1597 CD PRO A 99 6.459 1.452 5.518 1.00 0.00 C ATOM 0 HA PRO A 99 4.851 -1.145 6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.703 -0.400 8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.165 -1.118 6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.161 1.766 7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.291 0.907 6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.456 2.536 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.875 1.034 4.601 1.00 0.00 H new ATOM 1605 N ALA A 100 3.962 1.163 8.268 1.00 0.00 N ATOM 1606 CA ALA A 100 3.077 1.440 9.391 1.00 0.00 C ATOM 1607 C ALA A 100 1.619 1.240 8.993 1.00 0.00 C ATOM 1608 O ALA A 100 0.783 0.883 9.822 1.00 0.00 O ATOM 1609 CB ALA A 100 3.298 2.855 9.903 1.00 0.00 C ATOM 0 H ALA A 100 4.339 1.994 7.812 1.00 0.00 H new ATOM 0 HA ALA A 100 3.311 0.739 10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.629 3.047 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.332 2.966 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.091 3.567 9.104 1.00 0.00 H new ATOM 1615 N VAL A 101 1.323 1.471 7.718 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.033 1.312 7.208 1.00 0.00 C ATOM 1617 C VAL A 101 -0.411 -0.161 7.112 1.00 0.00 C ATOM 1618 O VAL A 101 -1.581 -0.521 7.244 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.192 1.963 5.821 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.650 1.955 5.390 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.362 3.380 5.831 1.00 0.00 C ATOM 0 H VAL A 101 2.004 1.769 7.020 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.698 1.812 7.913 1.00 0.00 H new ATOM 0 HB VAL A 101 0.378 1.379 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.742 2.419 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.009 0.927 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.246 2.513 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.241 3.825 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.178 3.977 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.420 3.355 6.091 1.00 0.00 H new ATOM 1631 N ILE A 102 0.586 -1.011 6.884 1.00 0.00 N ATOM 1632 CA ILE A 102 0.354 -2.446 6.773 1.00 0.00 C ATOM 1633 C ILE A 102 -0.053 -3.038 8.118 1.00 0.00 C ATOM 1634 O ILE A 102 -0.873 -3.954 8.181 1.00 0.00 O ATOM 1635 CB ILE A 102 1.606 -3.180 6.254 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.116 -2.518 4.973 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.299 -4.650 6.012 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.603 -2.694 4.752 1.00 0.00 C ATOM 0 H ILE A 102 1.560 -0.731 6.773 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.457 -2.584 6.058 1.00 0.00 H new ATOM 0 HB ILE A 102 2.387 -3.114 7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.579 -2.933 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.886 -1.453 5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.194 -5.153 5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.978 -5.113 6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.504 -4.739 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.894 -2.199 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.149 -2.254 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.838 -3.756 4.685 1.00 0.00 H new ATOM 1650 N SER A 103 0.522 -2.507 9.193 1.00 0.00 N ATOM 1651 CA SER A 103 0.212 -2.982 10.535 1.00 0.00 C ATOM 1652 C SER A 103 -1.272 -2.808 10.838 1.00 0.00 C ATOM 1653 O SER A 103 -1.883 -3.646 11.499 1.00 0.00 O ATOM 1654 CB SER A 103 1.050 -2.232 11.572 1.00 0.00 C ATOM 1655 OG SER A 103 2.344 -2.798 11.689 1.00 0.00 O ATOM 0 H SER A 103 1.204 -1.749 9.160 1.00 0.00 H new ATOM 0 HA SER A 103 0.455 -4.043 10.586 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.133 -1.183 11.287 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.548 -2.261 12.539 1.00 0.00 H new ATOM 0 HG SER A 103 2.860 -2.300 12.357 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.845 -1.716 10.343 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.258 -1.436 10.553 1.00 0.00 C ATOM 1663 C ALA A 104 -4.122 -2.490 9.870 1.00 0.00 C ATOM 1664 O ALA A 104 -5.178 -2.867 10.378 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.601 -0.045 10.040 1.00 0.00 C ATOM 0 H ALA A 104 -1.352 -1.012 9.794 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.463 -1.471 11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.661 0.152 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.008 0.697 10.575 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.381 0.014 8.974 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.662 -2.967 8.719 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.385 -3.985 7.966 1.00 0.00 C ATOM 1673 C PHE A 105 -4.544 -5.255 8.794 1.00 0.00 C ATOM 1674 O PHE A 105 -5.480 -6.027 8.587 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.646 -4.310 6.665 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.554 -4.697 5.530 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.949 -6.016 5.349 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.004 -3.743 4.633 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.775 -6.369 4.303 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.829 -4.091 3.585 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.215 -5.406 3.420 1.00 0.00 C ATOM 0 H PHE A 105 -2.789 -2.664 8.286 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.374 -3.592 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.057 -3.443 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.945 -5.124 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.605 -6.775 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.705 -2.713 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.077 -7.398 4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.173 -3.336 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.861 -5.680 2.599 1.00 0.00 H new ATOM 1691 N SER A 106 -3.619 -5.472 9.724 1.00 0.00 N ATOM 1692 CA SER A 106 -3.656 -6.658 10.571 1.00 0.00 C ATOM 1693 C SER A 106 -4.597 -6.475 11.757 1.00 0.00 C ATOM 1694 O SER A 106 -5.088 -7.455 12.322 1.00 0.00 O ATOM 1695 CB SER A 106 -2.251 -7.008 11.064 1.00 0.00 C ATOM 1696 OG SER A 106 -2.078 -8.412 11.153 1.00 0.00 O ATOM 0 H SER A 106 -2.837 -4.844 9.909 1.00 0.00 H new ATOM 0 HA SER A 106 -4.037 -7.480 9.965 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.509 -6.589 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.081 -6.555 12.041 1.00 0.00 H new ATOM 0 HG SER A 106 -1.172 -8.611 11.469 1.00 0.00 H new ATOM 1702 N THR A 107 -4.864 -5.230 12.125 1.00 0.00 N ATOM 1703 CA THR A 107 -5.766 -4.955 13.235 1.00 0.00 C ATOM 1704 C THR A 107 -7.167 -4.676 12.719 1.00 0.00 C ATOM 1705 O THR A 107 -8.156 -4.959 13.395 1.00 0.00 O ATOM 1706 CB THR A 107 -5.259 -3.773 14.064 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.847 -3.799 14.162 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.816 -3.746 15.471 1.00 0.00 C ATOM 0 H THR A 107 -4.473 -4.401 11.677 1.00 0.00 H new ATOM 0 HA THR A 107 -5.798 -5.835 13.877 1.00 0.00 H new ATOM 0 HB THR A 107 -5.602 -2.883 13.537 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.542 -3.035 14.694 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.416 -2.883 16.004 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.903 -3.676 15.431 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.530 -4.659 15.993 1.00 0.00 H new ATOM 1716 N MET A 108 -7.249 -4.143 11.507 1.00 0.00 N ATOM 1717 CA MET A 108 -8.533 -3.857 10.898 1.00 0.00 C ATOM 1718 C MET A 108 -9.110 -5.123 10.284 1.00 0.00 C ATOM 1719 O MET A 108 -10.323 -5.241 10.115 1.00 0.00 O ATOM 1720 CB MET A 108 -8.392 -2.772 9.835 1.00 0.00 C ATOM 1721 CG MET A 108 -7.911 -1.440 10.388 1.00 0.00 C ATOM 1722 SD MET A 108 -9.015 -0.772 11.649 1.00 0.00 S ATOM 1723 CE MET A 108 -7.839 -0.308 12.917 1.00 0.00 C ATOM 0 H MET A 108 -6.442 -3.902 10.931 1.00 0.00 H new ATOM 0 HA MET A 108 -9.212 -3.496 11.670 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.694 -3.112 9.070 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.355 -2.627 9.345 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.915 -1.566 10.812 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.822 -0.723 9.572 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.370 0.122 13.766 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.288 -1.190 13.243 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.142 0.427 12.515 1.00 0.00 H new ATOM 1733 N MET A 109 -8.239 -6.081 9.963 1.00 0.00 N ATOM 1734 CA MET A 109 -8.695 -7.333 9.389 1.00 0.00 C ATOM 1735 C MET A 109 -9.543 -8.085 10.402 1.00 0.00 C ATOM 1736 O MET A 109 -10.520 -8.743 10.045 1.00 0.00 O ATOM 1737 CB MET A 109 -7.511 -8.201 8.961 1.00 0.00 C ATOM 1738 CG MET A 109 -6.492 -8.415 10.061 1.00 0.00 C ATOM 1739 SD MET A 109 -5.353 -9.767 9.702 1.00 0.00 S ATOM 1740 CE MET A 109 -5.895 -10.990 10.891 1.00 0.00 C ATOM 0 H MET A 109 -7.230 -6.010 10.091 1.00 0.00 H new ATOM 0 HA MET A 109 -9.294 -7.108 8.506 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.883 -9.170 8.627 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.020 -7.736 8.106 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.924 -7.496 10.208 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.012 -8.622 10.997 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.285 -11.888 10.793 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.791 -10.589 11.899 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.940 -11.240 10.706 1.00 0.00 H new ATOM 1750 N SER A 110 -9.170 -7.972 11.678 1.00 0.00 N ATOM 1751 CA SER A 110 -9.910 -8.636 12.746 1.00 0.00 C ATOM 1752 C SER A 110 -11.385 -8.245 12.698 1.00 0.00 C ATOM 1753 O SER A 110 -12.248 -8.972 13.188 1.00 0.00 O ATOM 1754 CB SER A 110 -9.317 -8.276 14.109 1.00 0.00 C ATOM 1755 OG SER A 110 -8.340 -9.222 14.507 1.00 0.00 O ATOM 0 H SER A 110 -8.365 -7.430 11.993 1.00 0.00 H new ATOM 0 HA SER A 110 -9.829 -9.713 12.601 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.869 -7.283 14.063 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.111 -8.233 14.855 1.00 0.00 H new ATOM 0 HG SER A 110 -7.975 -8.968 15.380 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.663 -7.087 12.101 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.026 -6.592 11.983 1.00 0.00 C ATOM 1763 C VAL A 111 -13.782 -7.321 10.870 1.00 0.00 C ATOM 1764 O VAL A 111 -14.948 -7.681 11.035 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.040 -5.070 11.717 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.437 -4.587 11.350 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.517 -4.318 12.931 1.00 0.00 C ATOM 0 H VAL A 111 -10.957 -6.475 11.692 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.528 -6.787 12.931 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.385 -4.869 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.415 -3.512 11.169 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.774 -5.100 10.449 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.123 -4.803 12.169 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.532 -3.247 12.730 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.148 -4.534 13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.495 -4.633 13.142 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.114 -7.542 9.740 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.736 -8.234 8.614 1.00 0.00 C ATOM 1779 C HIS A 112 -13.769 -9.741 8.857 1.00 0.00 C ATOM 1780 O HIS A 112 -14.642 -10.444 8.350 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.995 -7.918 7.305 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.745 -8.719 7.096 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.489 -8.165 7.134 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.562 -10.038 6.862 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.586 -9.110 6.940 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.213 -10.256 6.773 1.00 0.00 N ATOM 0 H HIS A 112 -12.149 -7.254 9.580 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.762 -7.878 8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.670 -8.094 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.740 -6.858 7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.338 -10.783 6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.516 -8.967 6.922 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.767 -11.158 6.605 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.810 -10.229 9.639 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.730 -11.651 9.953 1.00 0.00 C ATOM 1797 C ARG A 113 -13.614 -11.997 11.148 1.00 0.00 C ATOM 1798 O ARG A 113 -14.037 -13.142 11.307 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.281 -12.048 10.245 1.00 0.00 C ATOM 1800 CG ARG A 113 -10.529 -12.545 9.021 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.558 -13.660 9.378 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.250 -14.908 9.693 1.00 0.00 N ATOM 1803 CZ ARG A 113 -9.634 -16.078 9.846 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.316 -16.165 9.715 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.338 -17.164 10.133 1.00 0.00 N ATOM 0 H ARG A 113 -12.078 -9.661 10.066 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.087 -12.209 9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.754 -11.189 10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.273 -12.827 11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.240 -12.905 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.984 -11.718 8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.874 -13.825 8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.954 -13.355 10.232 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.264 -14.881 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.769 -15.332 9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.850 -17.065 9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.351 -17.103 10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.867 -18.061 10.250 1.00 0.00 H new ATOM 1819 N GLY A 114 -13.888 -11.002 11.988 1.00 0.00 N ATOM 1820 CA GLY A 114 -14.719 -11.228 13.157 1.00 0.00 C ATOM 1821 C GLY A 114 -16.190 -11.360 12.811 1.00 0.00 C ATOM 1822 O GLY A 114 -16.895 -12.192 13.380 1.00 0.00 O ATOM 0 H GLY A 114 -13.550 -10.046 11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.386 -12.133 13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.587 -10.403 13.857 1.00 0.00 H new ATOM 1826 N GLU A 115 -16.654 -10.535 11.876 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.052 -10.564 11.459 1.00 0.00 C ATOM 1828 C GLU A 115 -18.181 -11.023 10.009 1.00 0.00 C ATOM 1829 O GLU A 115 -18.577 -10.251 9.136 1.00 0.00 O ATOM 1830 CB GLU A 115 -18.683 -9.180 11.628 1.00 0.00 C ATOM 1831 CG GLU A 115 -18.035 -8.107 10.769 1.00 0.00 C ATOM 1832 CD GLU A 115 -18.009 -6.752 11.449 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -17.594 -6.686 12.626 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -18.403 -5.756 10.806 1.00 0.00 O ATOM 0 H GLU A 115 -16.084 -9.840 11.394 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.580 -11.277 12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.743 -9.241 11.381 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.616 -8.885 12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.016 -8.407 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.576 -8.026 9.826 1.00 0.00 H new ATOM 1841 N VAL A 116 -17.850 -12.287 9.764 1.00 0.00 N ATOM 1842 CA VAL A 116 -17.932 -12.854 8.422 1.00 0.00 C ATOM 1843 C VAL A 116 -17.962 -14.385 8.475 1.00 0.00 C ATOM 1844 O VAL A 116 -18.959 -15.003 8.103 1.00 0.00 O ATOM 1845 CB VAL A 116 -16.760 -12.371 7.530 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -16.520 -13.322 6.364 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -17.030 -10.964 7.019 1.00 0.00 C ATOM 0 H VAL A 116 -17.522 -12.938 10.477 1.00 0.00 H new ATOM 0 HA VAL A 116 -18.863 -12.503 7.977 1.00 0.00 H new ATOM 0 HB VAL A 116 -15.858 -12.358 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -15.692 -12.954 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.277 -14.313 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.419 -13.380 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -16.199 -10.638 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.948 -10.960 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.137 -10.284 7.864 1.00 0.00 H new ATOM 1857 N PRO A 117 -16.871 -15.021 8.941 1.00 0.00 N ATOM 1858 CA PRO A 117 -16.795 -16.484 9.036 1.00 0.00 C ATOM 1859 C PRO A 117 -17.805 -17.051 10.027 1.00 0.00 C ATOM 1860 O PRO A 117 -17.618 -16.962 11.240 1.00 0.00 O ATOM 1861 CB PRO A 117 -15.365 -16.742 9.526 1.00 0.00 C ATOM 1862 CG PRO A 117 -14.947 -15.470 10.176 1.00 0.00 C ATOM 1863 CD PRO A 117 -15.633 -14.375 9.411 1.00 0.00 C ATOM 0 HA PRO A 117 -17.024 -16.964 8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -15.333 -17.574 10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -14.704 -16.998 8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.237 -15.454 11.227 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -13.864 -15.351 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -15.843 -13.512 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.023 -14.020 8.580 1.00 0.00 H new ATOM 1871 N CYS A 118 -18.878 -17.634 9.502 1.00 0.00 N ATOM 1872 CA CYS A 118 -19.920 -18.215 10.342 1.00 0.00 C ATOM 1873 C CYS A 118 -20.382 -19.558 9.784 1.00 0.00 C ATOM 1874 O CYS A 118 -20.923 -19.631 8.682 1.00 0.00 O ATOM 1875 CB CYS A 118 -21.109 -17.260 10.450 1.00 0.00 C ATOM 1876 SG CYS A 118 -22.098 -17.479 11.948 1.00 0.00 S ATOM 0 H CYS A 118 -19.049 -17.717 8.500 1.00 0.00 H new ATOM 0 HA CYS A 118 -19.502 -18.378 11.335 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -20.742 -16.234 10.417 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -21.751 -17.397 9.580 1.00 0.00 H new ATOM 0 HG CYS A 118 -23.078 -16.625 11.949 1.00 0.00 H new ATOM 1882 N THR A 119 -20.163 -20.618 10.555 1.00 0.00 N ATOM 1883 CA THR A 119 -20.557 -21.960 10.140 1.00 0.00 C ATOM 1884 C THR A 119 -21.659 -22.507 11.042 1.00 0.00 C ATOM 1885 O THR A 119 -22.556 -23.215 10.583 1.00 0.00 O ATOM 1886 CB THR A 119 -19.351 -22.900 10.164 1.00 0.00 C ATOM 1887 OG1 THR A 119 -19.741 -24.225 9.851 1.00 0.00 O ATOM 1888 CG2 THR A 119 -18.643 -22.932 11.500 1.00 0.00 C ATOM 0 H THR A 119 -19.715 -20.574 11.470 1.00 0.00 H new ATOM 0 HA THR A 119 -20.941 -21.899 9.122 1.00 0.00 H new ATOM 0 HB THR A 119 -18.663 -22.505 9.417 1.00 0.00 H new ATOM 0 HG1 THR A 119 -18.955 -24.810 9.870 1.00 0.00 H new ATOM 0 HG21 THR A 119 -17.798 -23.618 11.447 1.00 0.00 H new ATOM 0 HG22 THR A 119 -18.284 -21.932 11.746 1.00 0.00 H new ATOM 0 HG23 THR A 119 -19.336 -23.268 12.271 1.00 0.00 H new ATOM 1896 N VAL A 120 -21.586 -22.176 12.326 1.00 0.00 N ATOM 1897 CA VAL A 120 -22.577 -22.634 13.292 1.00 0.00 C ATOM 1898 C VAL A 120 -23.915 -21.935 13.080 1.00 0.00 C ATOM 1899 O VAL A 120 -23.919 -20.831 12.497 1.00 0.00 O ATOM 1900 CB VAL A 120 -22.107 -22.389 14.738 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -23.054 -23.051 15.728 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -20.685 -22.894 14.931 1.00 0.00 C ATOM 1903 OXT VAL A 120 -24.949 -22.498 13.499 1.00 0.00 O ATOM 0 H VAL A 120 -20.850 -21.592 12.722 1.00 0.00 H new ATOM 0 HA VAL A 120 -22.700 -23.705 13.134 1.00 0.00 H new ATOM 0 HB VAL A 120 -22.115 -21.315 14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -22.705 -22.867 16.744 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -24.055 -22.636 15.607 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -23.081 -24.125 15.543 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -20.371 -22.712 15.959 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -20.647 -23.963 14.724 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.017 -22.369 14.249 1.00 0.00 H new TER 1913 VAL A 120