USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 933 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 10 ASN : amide:sc= 0.121 K(o=1.3,f=-0.46) USER MOD Set 1.2: A 12 THR OG1 : rot 28:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -170:sc=-0.00983 (180deg=-0.192) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.248 (180deg=-0.688) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.32 (180deg=1.21) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0239 (180deg=-0.233) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.000639 X(o=-0.00064,f=-0.059) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 41 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.99 (180deg=-1.35) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0099 (180deg=-0.128) USER MOD Single : A 46 THR OG1 : rot 130:sc= 1.14 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -9:sc= 0.827 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -35:sc= 0.741 USER MOD Single : A 52 THR OG1 : rot -150:sc= 0.299 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00231) USER MOD Single : A 57 THR OG1 : rot 72:sc= -0.39 USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00159) USER MOD Single : A 62 ASN : amide:sc=-0.00543 X(o=-0.0054,f=-0.0054) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 71 ASN : amide:sc= -2.09! X(o=-2.1!,f=-2.1) USER MOD Single : A 75 TYR OH : rot 47:sc= 0.0342 USER MOD Single : A 82 ASN : amide:sc= -5.73! C(o=-5.7!,f=-7.6!) USER MOD Single : A 83 ASN : amide:sc= -0.0332 X(o=-0.033,f=0.17) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0734 (180deg=-0.488) USER MOD Single : A 88 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= -0.0326 (180deg=-0.345) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0.759 (180deg=0.544) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.24! K(o=-1.2!,f=-0.045) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 116:sc= 1.15 USER MOD Single : A 106 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.501 14.704 -6.364 1.00 0.00 N ATOM 2 CA MET A 1 0.104 14.055 -5.179 1.00 0.00 C ATOM 3 C MET A 1 -0.436 12.640 -5.014 1.00 0.00 C ATOM 4 O MET A 1 -0.840 12.018 -5.995 1.00 0.00 O ATOM 5 CB MET A 1 -0.148 14.888 -3.921 1.00 0.00 C ATOM 6 CG MET A 1 -1.599 15.233 -3.728 1.00 0.00 C ATOM 7 SD MET A 1 -1.861 16.484 -2.456 1.00 0.00 S ATOM 8 CE MET A 1 -1.222 15.641 -1.008 1.00 0.00 C ATOM 0 H1 MET A 1 -0.603 15.724 -6.187 1.00 0.00 H new ATOM 0 H2 MET A 1 0.111 14.556 -7.191 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.437 14.289 -6.547 1.00 0.00 H new ATOM 0 HA MET A 1 1.182 13.992 -5.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.208 14.338 -3.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.434 15.808 -3.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.011 15.590 -4.672 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.149 14.331 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.475 16.211 -0.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.664 14.647 -0.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.139 15.552 -1.087 1.00 0.00 H new ATOM 20 N ILE A 2 -0.423 12.125 -3.787 1.00 0.00 N ATOM 21 CA ILE A 2 -0.932 10.787 -3.513 1.00 0.00 C ATOM 22 C ILE A 2 -2.404 10.674 -3.906 1.00 0.00 C ATOM 23 O ILE A 2 -3.260 11.370 -3.354 1.00 0.00 O ATOM 24 CB ILE A 2 -0.772 10.420 -2.024 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.692 10.572 -1.599 1.00 0.00 C ATOM 26 CG2 ILE A 2 -1.273 9.005 -1.764 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.971 10.111 -0.185 1.00 0.00 C ATOM 0 H ILE A 2 -0.065 12.616 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.345 10.090 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.376 11.103 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.320 10.005 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.981 11.619 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.152 8.764 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.327 8.937 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.699 8.300 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.028 10.250 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.371 10.694 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.716 9.056 -0.089 1.00 0.00 H new ATOM 39 N ARG A 3 -2.692 9.814 -4.871 1.00 0.00 N ATOM 40 CA ARG A 3 -4.028 9.630 -5.359 1.00 0.00 C ATOM 41 C ARG A 3 -4.430 8.161 -5.328 1.00 0.00 C ATOM 42 O ARG A 3 -3.599 7.275 -5.481 1.00 0.00 O ATOM 43 CB ARG A 3 -4.123 10.162 -6.775 1.00 0.00 C ATOM 44 CG ARG A 3 -2.858 9.999 -7.600 1.00 0.00 C ATOM 45 CD ARG A 3 -3.030 10.615 -8.974 1.00 0.00 C ATOM 46 NE ARG A 3 -1.841 10.464 -9.809 1.00 0.00 N ATOM 47 CZ ARG A 3 -1.646 11.136 -10.939 1.00 0.00 C ATOM 48 NH1 ARG A 3 -2.547 12.022 -11.353 1.00 0.00 N ATOM 49 NH2 ARG A 3 -0.548 10.924 -11.652 1.00 0.00 N ATOM 0 H ARG A 3 -1.996 9.228 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.712 10.178 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.941 9.654 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.380 11.220 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.020 10.471 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.616 8.941 -7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.881 10.151 -9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.262 11.675 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.121 9.807 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.390 12.187 -10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.395 12.537 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.144 10.246 -11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.396 11.438 -12.520 1.00 0.00 H new ATOM 63 N PHE A 4 -5.710 7.915 -5.127 1.00 0.00 N ATOM 64 CA PHE A 4 -6.232 6.567 -5.086 1.00 0.00 C ATOM 65 C PHE A 4 -7.052 6.256 -6.333 1.00 0.00 C ATOM 66 O PHE A 4 -7.883 7.054 -6.763 1.00 0.00 O ATOM 67 CB PHE A 4 -7.066 6.369 -3.818 1.00 0.00 C ATOM 68 CG PHE A 4 -8.129 7.414 -3.595 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.848 8.553 -2.856 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.403 7.256 -4.114 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.817 9.513 -2.640 1.00 0.00 C ATOM 72 CE2 PHE A 4 -10.375 8.213 -3.903 1.00 0.00 C ATOM 73 CZ PHE A 4 -10.082 9.343 -3.165 1.00 0.00 C ATOM 0 H PHE A 4 -6.413 8.641 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.393 5.871 -5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.542 5.389 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.397 6.361 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.859 8.691 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.639 6.374 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.585 10.395 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.364 8.078 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.842 10.093 -2.999 1.00 0.00 H new ATOM 83 N GLU A 5 -6.784 5.103 -6.922 1.00 0.00 N ATOM 84 CA GLU A 5 -7.549 4.612 -8.050 1.00 0.00 C ATOM 85 C GLU A 5 -8.214 3.326 -7.646 1.00 0.00 C ATOM 86 O GLU A 5 -7.734 2.227 -7.926 1.00 0.00 O ATOM 87 CB GLU A 5 -6.661 4.356 -9.264 1.00 0.00 C ATOM 88 CG GLU A 5 -5.676 5.462 -9.582 1.00 0.00 C ATOM 89 CD GLU A 5 -4.730 5.052 -10.687 1.00 0.00 C ATOM 90 OE1 GLU A 5 -4.812 5.624 -11.792 1.00 0.00 O ATOM 91 OE2 GLU A 5 -3.921 4.125 -10.468 1.00 0.00 O ATOM 0 H GLU A 5 -6.029 4.482 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.285 5.367 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.106 3.432 -9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.298 4.196 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.217 6.360 -9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.107 5.714 -8.687 1.00 0.00 H new ATOM 98 N ILE A 6 -9.319 3.477 -6.985 1.00 0.00 N ATOM 99 CA ILE A 6 -10.014 2.361 -6.425 1.00 0.00 C ATOM 100 C ILE A 6 -11.117 1.908 -7.370 1.00 0.00 C ATOM 101 O ILE A 6 -11.904 2.710 -7.872 1.00 0.00 O ATOM 102 CB ILE A 6 -10.672 2.774 -5.106 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.618 3.238 -4.098 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.521 1.627 -4.531 1.00 0.00 C ATOM 105 CD1 ILE A 6 -10.198 3.980 -2.911 1.00 0.00 C ATOM 0 H ILE A 6 -9.765 4.379 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.298 1.555 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.339 3.612 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.065 2.370 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.902 3.885 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.977 1.946 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.302 1.360 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.886 0.760 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.393 4.278 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.727 4.867 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.892 3.329 -2.379 1.00 0.00 H new ATOM 117 N HIS A 7 -11.146 0.632 -7.613 1.00 0.00 N ATOM 118 CA HIS A 7 -12.250 -0.011 -8.285 1.00 0.00 C ATOM 119 C HIS A 7 -12.936 -0.894 -7.285 1.00 0.00 C ATOM 120 O HIS A 7 -12.589 -2.067 -7.151 1.00 0.00 O ATOM 121 CB HIS A 7 -11.770 -0.887 -9.426 1.00 0.00 C ATOM 122 CG HIS A 7 -11.519 -0.164 -10.716 1.00 0.00 C ATOM 123 ND1 HIS A 7 -11.090 1.147 -10.782 1.00 0.00 N ATOM 124 CD2 HIS A 7 -11.622 -0.585 -11.998 1.00 0.00 C ATOM 125 CE1 HIS A 7 -10.943 1.494 -12.047 1.00 0.00 C ATOM 126 NE2 HIS A 7 -11.257 0.462 -12.804 1.00 0.00 N ATOM 0 H HIS A 7 -10.396 -0.006 -7.349 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.913 0.755 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.850 -1.384 -9.120 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.511 -1.667 -9.602 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.934 -1.566 -12.326 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.620 2.461 -12.402 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.232 0.445 -13.824 1.00 0.00 H new ATOM 135 N GLY A 8 -13.887 -0.368 -6.562 1.00 0.00 N ATOM 136 CA GLY A 8 -14.370 -1.143 -5.472 1.00 0.00 C ATOM 137 C GLY A 8 -15.819 -1.559 -5.605 1.00 0.00 C ATOM 138 O GLY A 8 -16.723 -0.791 -5.280 1.00 0.00 O ATOM 0 H GLY A 8 -14.319 0.545 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.754 -2.037 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.250 -0.571 -4.552 1.00 0.00 H new ATOM 142 N ASP A 9 -16.044 -2.793 -6.038 1.00 0.00 N ATOM 143 CA ASP A 9 -17.398 -3.299 -6.214 1.00 0.00 C ATOM 144 C ASP A 9 -17.937 -3.856 -4.910 1.00 0.00 C ATOM 145 O ASP A 9 -17.820 -5.050 -4.619 1.00 0.00 O ATOM 146 CB ASP A 9 -17.465 -4.362 -7.310 1.00 0.00 C ATOM 147 CG ASP A 9 -17.496 -3.762 -8.698 1.00 0.00 C ATOM 148 OD1 ASP A 9 -16.732 -4.229 -9.567 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.283 -2.818 -8.925 1.00 0.00 O ATOM 0 H ASP A 9 -15.309 -3.460 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.021 -2.460 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.603 -5.024 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.354 -4.975 -7.163 1.00 0.00 H new ATOM 154 N ASN A 10 -18.518 -2.970 -4.123 1.00 0.00 N ATOM 155 CA ASN A 10 -19.111 -3.345 -2.851 1.00 0.00 C ATOM 156 C ASN A 10 -20.564 -2.897 -2.800 1.00 0.00 C ATOM 157 O ASN A 10 -21.185 -2.906 -1.735 1.00 0.00 O ATOM 158 CB ASN A 10 -18.318 -2.734 -1.687 1.00 0.00 C ATOM 159 CG ASN A 10 -18.377 -1.217 -1.652 1.00 0.00 C ATOM 160 OD1 ASN A 10 -19.240 -0.631 -1.004 1.00 0.00 O ATOM 161 ND2 ASN A 10 -17.460 -0.569 -2.356 1.00 0.00 N ATOM 0 H ASN A 10 -18.593 -1.977 -4.344 1.00 0.00 H new ATOM 0 HA ASN A 10 -19.076 -4.430 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -18.704 -3.128 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.277 -3.049 -1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.456 0.451 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.759 -1.090 -2.882 1.00 0.00 H new ATOM 168 N LEU A 11 -21.087 -2.511 -3.970 1.00 0.00 N ATOM 169 CA LEU A 11 -22.457 -2.001 -4.119 1.00 0.00 C ATOM 170 C LEU A 11 -22.609 -0.618 -3.485 1.00 0.00 C ATOM 171 O LEU A 11 -22.995 0.340 -4.151 1.00 0.00 O ATOM 172 CB LEU A 11 -23.483 -2.976 -3.530 1.00 0.00 C ATOM 173 CG LEU A 11 -24.938 -2.498 -3.563 1.00 0.00 C ATOM 174 CD1 LEU A 11 -25.398 -2.258 -4.994 1.00 0.00 C ATOM 175 CD2 LEU A 11 -25.841 -3.505 -2.873 1.00 0.00 C ATOM 0 H LEU A 11 -20.568 -2.544 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.651 -1.908 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.416 -3.919 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.210 -3.183 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.999 -1.552 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.434 -1.919 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.769 -1.497 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.321 -3.186 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.872 -3.151 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.771 -4.466 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.529 -3.622 -1.835 1.00 0.00 H new ATOM 187 N THR A 12 -22.279 -0.518 -2.208 1.00 0.00 N ATOM 188 CA THR A 12 -22.401 0.727 -1.468 1.00 0.00 C ATOM 189 C THR A 12 -21.191 1.633 -1.689 1.00 0.00 C ATOM 190 O THR A 12 -20.786 2.381 -0.798 1.00 0.00 O ATOM 191 CB THR A 12 -22.561 0.440 0.033 1.00 0.00 C ATOM 192 OG1 THR A 12 -21.597 -0.540 0.445 1.00 0.00 O ATOM 193 CG2 THR A 12 -23.962 -0.061 0.342 1.00 0.00 C ATOM 0 H THR A 12 -21.919 -1.297 -1.656 1.00 0.00 H new ATOM 0 HA THR A 12 -23.286 1.244 -1.839 1.00 0.00 H new ATOM 0 HB THR A 12 -22.397 1.368 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 12 -20.808 -0.486 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 12 -24.051 -0.257 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.691 0.695 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.150 -0.980 -0.213 1.00 0.00 H new ATOM 201 N ILE A 13 -20.609 1.562 -2.879 1.00 0.00 N ATOM 202 CA ILE A 13 -19.451 2.375 -3.201 1.00 0.00 C ATOM 203 C ILE A 13 -19.870 3.823 -3.435 1.00 0.00 C ATOM 204 O ILE A 13 -20.497 4.159 -4.443 1.00 0.00 O ATOM 205 CB ILE A 13 -18.670 1.830 -4.424 1.00 0.00 C ATOM 206 CG1 ILE A 13 -17.544 2.799 -4.806 1.00 0.00 C ATOM 207 CG2 ILE A 13 -19.600 1.570 -5.604 1.00 0.00 C ATOM 208 CD1 ILE A 13 -16.666 2.306 -5.935 1.00 0.00 C ATOM 0 H ILE A 13 -20.921 0.950 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.776 2.331 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 13 -18.224 0.874 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -17.982 3.755 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -16.923 2.982 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -19.022 1.189 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -20.353 0.836 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -20.091 2.500 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.894 3.046 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.197 1.365 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -17.273 2.151 -6.827 1.00 0.00 H new ATOM 220 N THR A 14 -19.553 4.669 -2.475 1.00 0.00 N ATOM 221 CA THR A 14 -19.907 6.068 -2.554 1.00 0.00 C ATOM 222 C THR A 14 -18.881 6.915 -1.804 1.00 0.00 C ATOM 223 O THR A 14 -17.833 6.404 -1.388 1.00 0.00 O ATOM 224 CB THR A 14 -21.332 6.311 -1.994 1.00 0.00 C ATOM 225 OG1 THR A 14 -21.709 7.686 -2.135 1.00 0.00 O ATOM 226 CG2 THR A 14 -21.426 5.902 -0.530 1.00 0.00 C ATOM 0 H THR A 14 -19.048 4.408 -1.628 1.00 0.00 H new ATOM 0 HA THR A 14 -19.904 6.365 -3.603 1.00 0.00 H new ATOM 0 HB THR A 14 -22.019 5.694 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 14 -22.612 7.816 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 14 -22.437 6.084 -0.166 1.00 0.00 H new ATOM 0 HG22 THR A 14 -21.191 4.842 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 14 -20.718 6.487 0.057 1.00 0.00 H new ATOM 234 N ASP A 15 -19.195 8.187 -1.623 1.00 0.00 N ATOM 235 CA ASP A 15 -18.301 9.135 -0.969 1.00 0.00 C ATOM 236 C ASP A 15 -17.885 8.649 0.417 1.00 0.00 C ATOM 237 O ASP A 15 -16.762 8.874 0.837 1.00 0.00 O ATOM 238 CB ASP A 15 -18.983 10.500 -0.863 1.00 0.00 C ATOM 239 CG ASP A 15 -18.147 11.517 -0.114 1.00 0.00 C ATOM 240 OD1 ASP A 15 -17.246 12.125 -0.727 1.00 0.00 O ATOM 241 OD2 ASP A 15 -18.405 11.735 1.086 1.00 0.00 O ATOM 0 H ASP A 15 -20.079 8.595 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.399 9.222 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.192 10.875 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.943 10.384 -0.359 1.00 0.00 H new ATOM 246 N ALA A 16 -18.795 7.964 1.098 1.00 0.00 N ATOM 247 CA ALA A 16 -18.557 7.445 2.449 1.00 0.00 C ATOM 248 C ALA A 16 -17.228 6.707 2.574 1.00 0.00 C ATOM 249 O ALA A 16 -16.319 7.143 3.276 1.00 0.00 O ATOM 250 CB ALA A 16 -19.674 6.495 2.827 1.00 0.00 C ATOM 0 H ALA A 16 -19.723 7.749 0.733 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.525 8.305 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.499 6.108 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.626 7.025 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.702 5.667 2.119 1.00 0.00 H new ATOM 256 N ILE A 17 -17.137 5.579 1.896 1.00 0.00 N ATOM 257 CA ILE A 17 -15.952 4.737 1.946 1.00 0.00 C ATOM 258 C ILE A 17 -14.783 5.429 1.291 1.00 0.00 C ATOM 259 O ILE A 17 -13.654 5.351 1.758 1.00 0.00 O ATOM 260 CB ILE A 17 -16.201 3.412 1.218 1.00 0.00 C ATOM 261 CG1 ILE A 17 -17.179 2.535 2.005 1.00 0.00 C ATOM 262 CG2 ILE A 17 -14.901 2.659 0.973 1.00 0.00 C ATOM 263 CD1 ILE A 17 -18.639 2.883 1.803 1.00 0.00 C ATOM 0 H ILE A 17 -17.879 5.219 1.296 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.727 4.545 2.995 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.643 3.649 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.024 1.494 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.944 2.613 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.114 1.724 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.237 3.269 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.420 2.444 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -19.259 2.212 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.815 3.912 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.896 2.776 0.749 1.00 0.00 H new ATOM 275 N ARG A 18 -15.074 6.096 0.186 1.00 0.00 N ATOM 276 CA ARG A 18 -14.053 6.808 -0.528 1.00 0.00 C ATOM 277 C ARG A 18 -13.391 7.786 0.443 1.00 0.00 C ATOM 278 O ARG A 18 -12.172 7.934 0.475 1.00 0.00 O ATOM 279 CB ARG A 18 -14.649 7.556 -1.723 1.00 0.00 C ATOM 280 CG ARG A 18 -13.617 8.301 -2.553 1.00 0.00 C ATOM 281 CD ARG A 18 -14.273 9.177 -3.607 1.00 0.00 C ATOM 282 NE ARG A 18 -13.291 9.964 -4.353 1.00 0.00 N ATOM 283 CZ ARG A 18 -13.229 11.297 -4.332 1.00 0.00 C ATOM 284 NH1 ARG A 18 -14.091 11.998 -3.605 1.00 0.00 N ATOM 285 NH2 ARG A 18 -12.303 11.930 -5.038 1.00 0.00 N ATOM 0 H ARG A 18 -16.005 6.153 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.314 6.108 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.171 6.844 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.393 8.266 -1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.000 8.918 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.952 7.585 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.837 8.551 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.987 9.847 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.611 9.463 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.806 11.518 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.038 13.017 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.637 11.398 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.257 12.949 -5.021 1.00 0.00 H new ATOM 299 N ASN A 19 -14.237 8.420 1.256 1.00 0.00 N ATOM 300 CA ASN A 19 -13.803 9.264 2.361 1.00 0.00 C ATOM 301 C ASN A 19 -12.986 8.440 3.333 1.00 0.00 C ATOM 302 O ASN A 19 -11.837 8.742 3.582 1.00 0.00 O ATOM 303 CB ASN A 19 -15.010 9.830 3.109 1.00 0.00 C ATOM 304 CG ASN A 19 -14.691 11.103 3.869 1.00 0.00 C ATOM 305 OD1 ASN A 19 -14.795 12.204 3.331 1.00 0.00 O ATOM 306 ND2 ASN A 19 -14.315 10.963 5.132 1.00 0.00 N ATOM 0 H ASN A 19 -15.251 8.359 1.162 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.208 10.083 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.811 10.029 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.383 9.080 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.100 11.786 5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -14.241 10.032 5.542 1.00 0.00 H new ATOM 313 N TYR A 20 -13.616 7.391 3.859 1.00 0.00 N ATOM 314 CA TYR A 20 -12.984 6.435 4.787 1.00 0.00 C ATOM 315 C TYR A 20 -11.543 6.105 4.352 1.00 0.00 C ATOM 316 O TYR A 20 -10.614 6.082 5.168 1.00 0.00 O ATOM 317 CB TYR A 20 -13.821 5.136 4.820 1.00 0.00 C ATOM 318 CG TYR A 20 -13.549 4.210 5.994 1.00 0.00 C ATOM 319 CD1 TYR A 20 -14.594 3.632 6.704 1.00 0.00 C ATOM 320 CD2 TYR A 20 -12.251 3.898 6.380 1.00 0.00 C ATOM 321 CE1 TYR A 20 -14.349 2.772 7.761 1.00 0.00 C ATOM 322 CE2 TYR A 20 -12.000 3.045 7.434 1.00 0.00 C ATOM 323 CZ TYR A 20 -13.051 2.483 8.120 1.00 0.00 C ATOM 324 OH TYR A 20 -12.802 1.630 9.168 1.00 0.00 O ATOM 0 H TYR A 20 -14.591 7.172 3.655 1.00 0.00 H new ATOM 0 HA TYR A 20 -12.945 6.887 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -14.877 5.406 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.641 4.585 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -15.613 3.857 6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.421 4.333 5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.172 2.329 8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.983 2.819 7.719 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.834 1.533 9.288 1.00 0.00 H new ATOM 334 N ILE A 21 -11.363 5.912 3.053 1.00 0.00 N ATOM 335 CA ILE A 21 -10.117 5.431 2.525 1.00 0.00 C ATOM 336 C ILE A 21 -9.244 6.616 2.295 1.00 0.00 C ATOM 337 O ILE A 21 -8.020 6.549 2.390 1.00 0.00 O ATOM 338 CB ILE A 21 -10.336 4.712 1.193 1.00 0.00 C ATOM 339 CG1 ILE A 21 -11.241 3.492 1.390 1.00 0.00 C ATOM 340 CG2 ILE A 21 -9.006 4.300 0.571 1.00 0.00 C ATOM 341 CD1 ILE A 21 -11.493 2.703 0.123 1.00 0.00 C ATOM 0 H ILE A 21 -12.079 6.087 2.348 1.00 0.00 H new ATOM 0 HA ILE A 21 -9.665 4.728 3.225 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.828 5.403 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.790 2.834 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.197 3.823 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.189 3.791 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.397 5.186 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.480 3.628 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.142 1.856 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.974 3.344 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.545 2.340 -0.274 1.00 0.00 H new ATOM 353 N GLU A 22 -9.904 7.726 2.027 1.00 0.00 N ATOM 354 CA GLU A 22 -9.198 8.945 1.792 1.00 0.00 C ATOM 355 C GLU A 22 -8.576 9.395 3.101 1.00 0.00 C ATOM 356 O GLU A 22 -7.544 10.063 3.138 1.00 0.00 O ATOM 357 CB GLU A 22 -10.100 10.045 1.222 1.00 0.00 C ATOM 358 CG GLU A 22 -9.330 11.286 0.795 1.00 0.00 C ATOM 359 CD GLU A 22 -10.228 12.441 0.411 1.00 0.00 C ATOM 360 OE1 GLU A 22 -10.762 12.439 -0.721 1.00 0.00 O ATOM 361 OE2 GLU A 22 -10.386 13.370 1.232 1.00 0.00 O ATOM 0 H GLU A 22 -10.920 7.797 1.969 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.428 8.761 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.646 9.651 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.841 10.324 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.676 11.598 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.689 11.035 -0.051 1.00 0.00 H new ATOM 368 N GLU A 23 -9.240 9.005 4.172 1.00 0.00 N ATOM 369 CA GLU A 23 -8.774 9.239 5.520 1.00 0.00 C ATOM 370 C GLU A 23 -7.635 8.302 5.840 1.00 0.00 C ATOM 371 O GLU A 23 -6.602 8.729 6.333 1.00 0.00 O ATOM 372 CB GLU A 23 -9.920 9.013 6.488 1.00 0.00 C ATOM 373 CG GLU A 23 -11.150 9.791 6.097 1.00 0.00 C ATOM 374 CD GLU A 23 -10.935 11.284 6.234 1.00 0.00 C ATOM 375 OE1 GLU A 23 -11.060 11.804 7.364 1.00 0.00 O ATOM 376 OE2 GLU A 23 -10.620 11.945 5.224 1.00 0.00 O ATOM 0 H GLU A 23 -10.131 8.510 4.127 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.418 10.265 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.160 7.950 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.610 9.305 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.418 9.555 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.988 9.485 6.723 1.00 0.00 H new ATOM 383 N LYS A 24 -7.829 7.019 5.549 1.00 0.00 N ATOM 384 CA LYS A 24 -6.772 6.040 5.733 1.00 0.00 C ATOM 385 C LYS A 24 -5.505 6.511 5.014 1.00 0.00 C ATOM 386 O LYS A 24 -4.471 6.732 5.631 1.00 0.00 O ATOM 387 CB LYS A 24 -7.227 4.691 5.177 1.00 0.00 C ATOM 388 CG LYS A 24 -6.291 3.535 5.488 1.00 0.00 C ATOM 389 CD LYS A 24 -6.394 3.122 6.949 1.00 0.00 C ATOM 390 CE LYS A 24 -5.702 1.794 7.214 1.00 0.00 C ATOM 391 NZ LYS A 24 -5.953 1.301 8.597 1.00 0.00 N ATOM 0 H LYS A 24 -8.704 6.638 5.187 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.553 5.930 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.214 4.461 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.334 4.775 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.533 2.686 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.265 3.823 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.949 3.894 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.444 3.047 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.052 1.053 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.629 1.907 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.521 0.362 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.536 1.963 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.978 1.233 8.761 1.00 0.00 H new ATOM 405 N ILE A 25 -5.642 6.706 3.704 1.00 0.00 N ATOM 406 CA ILE A 25 -4.551 7.172 2.863 1.00 0.00 C ATOM 407 C ILE A 25 -4.067 8.538 3.321 1.00 0.00 C ATOM 408 O ILE A 25 -2.887 8.836 3.238 1.00 0.00 O ATOM 409 CB ILE A 25 -4.971 7.230 1.377 1.00 0.00 C ATOM 410 CG1 ILE A 25 -5.343 5.830 0.881 1.00 0.00 C ATOM 411 CG2 ILE A 25 -3.856 7.818 0.520 1.00 0.00 C ATOM 412 CD1 ILE A 25 -5.808 5.798 -0.558 1.00 0.00 C ATOM 0 H ILE A 25 -6.514 6.544 3.200 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.734 6.457 2.958 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.843 7.879 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.479 5.175 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.131 5.426 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.175 7.848 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.630 8.829 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.964 7.198 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.054 4.774 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.692 6.426 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.014 6.171 -1.205 1.00 0.00 H new ATOM 424 N GLY A 26 -4.984 9.355 3.818 1.00 0.00 N ATOM 425 CA GLY A 26 -4.609 10.644 4.363 1.00 0.00 C ATOM 426 C GLY A 26 -3.749 10.511 5.604 1.00 0.00 C ATOM 427 O GLY A 26 -2.824 11.298 5.816 1.00 0.00 O ATOM 0 H GLY A 26 -5.982 9.148 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.068 11.213 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.508 11.210 4.605 1.00 0.00 H new ATOM 431 N LYS A 27 -4.019 9.483 6.404 1.00 0.00 N ATOM 432 CA LYS A 27 -3.288 9.293 7.634 1.00 0.00 C ATOM 433 C LYS A 27 -1.951 8.701 7.292 1.00 0.00 C ATOM 434 O LYS A 27 -0.945 8.967 7.949 1.00 0.00 O ATOM 435 CB LYS A 27 -4.049 8.399 8.610 1.00 0.00 C ATOM 436 CG LYS A 27 -4.898 9.163 9.621 1.00 0.00 C ATOM 437 CD LYS A 27 -5.995 9.971 8.947 1.00 0.00 C ATOM 438 CE LYS A 27 -6.765 10.822 9.945 1.00 0.00 C ATOM 439 NZ LYS A 27 -5.908 11.872 10.551 1.00 0.00 N ATOM 0 H LYS A 27 -4.734 8.779 6.217 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.158 10.253 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.694 7.727 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.335 7.776 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.345 8.460 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.260 9.830 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.556 10.614 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.683 9.296 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.614 11.289 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.169 10.184 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.506 12.571 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.259 11.437 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.358 12.344 9.805 1.00 0.00 H new ATOM 453 N LEU A 28 -1.955 7.915 6.228 1.00 0.00 N ATOM 454 CA LEU A 28 -0.728 7.366 5.694 1.00 0.00 C ATOM 455 C LEU A 28 0.104 8.467 5.057 1.00 0.00 C ATOM 456 O LEU A 28 1.309 8.560 5.273 1.00 0.00 O ATOM 457 CB LEU A 28 -1.052 6.290 4.688 1.00 0.00 C ATOM 458 CG LEU A 28 -2.063 5.310 5.228 1.00 0.00 C ATOM 459 CD1 LEU A 28 -2.510 4.338 4.147 1.00 0.00 C ATOM 460 CD2 LEU A 28 -1.491 4.565 6.423 1.00 0.00 C ATOM 0 H LEU A 28 -2.797 7.645 5.719 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.146 6.925 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.439 6.747 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.140 5.759 4.416 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.940 5.868 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.239 3.642 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.964 4.892 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.648 3.783 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.232 3.861 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.597 4.021 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.233 5.277 7.207 1.00 0.00 H new ATOM 472 N GLU A 29 -0.574 9.303 4.281 1.00 0.00 N ATOM 473 CA GLU A 29 0.021 10.467 3.640 1.00 0.00 C ATOM 474 C GLU A 29 0.726 11.338 4.667 1.00 0.00 C ATOM 475 O GLU A 29 1.837 11.820 4.434 1.00 0.00 O ATOM 476 CB GLU A 29 -1.076 11.278 2.945 1.00 0.00 C ATOM 477 CG GLU A 29 -0.588 12.534 2.249 1.00 0.00 C ATOM 478 CD GLU A 29 -1.725 13.469 1.897 1.00 0.00 C ATOM 479 OE1 GLU A 29 -1.796 14.560 2.495 1.00 0.00 O ATOM 480 OE2 GLU A 29 -2.560 13.115 1.037 1.00 0.00 O ATOM 0 H GLU A 29 -1.567 9.189 4.077 1.00 0.00 H new ATOM 0 HA GLU A 29 0.754 10.131 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.571 10.641 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.827 11.557 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.121 13.053 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.051 12.259 1.341 1.00 0.00 H new ATOM 487 N ARG A 30 0.078 11.533 5.807 1.00 0.00 N ATOM 488 CA ARG A 30 0.650 12.360 6.855 1.00 0.00 C ATOM 489 C ARG A 30 1.802 11.680 7.586 1.00 0.00 C ATOM 490 O ARG A 30 2.512 12.323 8.359 1.00 0.00 O ATOM 491 CB ARG A 30 -0.404 12.802 7.838 1.00 0.00 C ATOM 492 CG ARG A 30 -1.445 13.746 7.257 1.00 0.00 C ATOM 493 CD ARG A 30 -0.830 15.047 6.764 1.00 0.00 C ATOM 494 NE ARG A 30 -0.604 15.035 5.319 1.00 0.00 N ATOM 495 CZ ARG A 30 0.464 15.563 4.720 1.00 0.00 C ATOM 496 NH1 ARG A 30 1.436 16.114 5.436 1.00 0.00 N ATOM 497 NH2 ARG A 30 0.549 15.541 3.397 1.00 0.00 N ATOM 0 H ARG A 30 -0.835 11.134 6.027 1.00 0.00 H new ATOM 0 HA ARG A 30 1.060 13.238 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.910 11.920 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.084 13.292 8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.959 13.254 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.197 13.966 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.487 15.878 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.116 15.218 7.277 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.310 14.593 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.370 16.136 6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.249 16.515 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.199 15.122 2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.363 15.943 2.931 1.00 0.00 H new ATOM 511 N TYR A 31 1.995 10.389 7.351 1.00 0.00 N ATOM 512 CA TYR A 31 3.161 9.702 7.888 1.00 0.00 C ATOM 513 C TYR A 31 4.369 9.988 7.019 1.00 0.00 C ATOM 514 O TYR A 31 5.506 9.716 7.405 1.00 0.00 O ATOM 515 CB TYR A 31 2.959 8.184 7.958 1.00 0.00 C ATOM 516 CG TYR A 31 2.011 7.718 9.040 1.00 0.00 C ATOM 517 CD1 TYR A 31 1.074 6.727 8.783 1.00 0.00 C ATOM 518 CD2 TYR A 31 2.060 8.257 10.319 1.00 0.00 C ATOM 519 CE1 TYR A 31 0.212 6.286 9.766 1.00 0.00 C ATOM 520 CE2 TYR A 31 1.201 7.823 11.308 1.00 0.00 C ATOM 521 CZ TYR A 31 0.279 6.836 11.028 1.00 0.00 C ATOM 522 OH TYR A 31 -0.578 6.395 12.012 1.00 0.00 O ATOM 0 H TYR A 31 1.368 9.803 6.800 1.00 0.00 H new ATOM 0 HA TYR A 31 3.314 10.074 8.901 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.586 7.837 6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.928 7.710 8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.019 6.293 7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.782 9.028 10.543 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.511 5.514 9.548 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.250 8.254 12.297 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.401 6.883 12.843 1.00 0.00 H new ATOM 532 N PHE A 32 4.125 10.539 5.838 1.00 0.00 N ATOM 533 CA PHE A 32 5.178 10.734 4.885 1.00 0.00 C ATOM 534 C PHE A 32 5.538 12.185 4.794 1.00 0.00 C ATOM 535 O PHE A 32 4.721 13.057 5.091 1.00 0.00 O ATOM 536 CB PHE A 32 4.739 10.323 3.499 1.00 0.00 C ATOM 537 CG PHE A 32 4.055 8.979 3.401 1.00 0.00 C ATOM 538 CD1 PHE A 32 3.037 8.775 2.484 1.00 0.00 C ATOM 539 CD2 PHE A 32 4.441 7.919 4.210 1.00 0.00 C ATOM 540 CE1 PHE A 32 2.418 7.544 2.373 1.00 0.00 C ATOM 541 CE2 PHE A 32 3.822 6.687 4.107 1.00 0.00 C ATOM 542 CZ PHE A 32 2.810 6.500 3.187 1.00 0.00 C ATOM 0 H PHE A 32 3.205 10.854 5.529 1.00 0.00 H new ATOM 0 HA PHE A 32 6.021 10.131 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.062 11.084 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.614 10.314 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.723 9.589 1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.235 8.058 4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.629 7.399 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.130 5.872 4.745 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.326 5.538 3.104 1.00 0.00 H new ATOM 552 N ASN A 33 6.765 12.449 4.417 1.00 0.00 N ATOM 553 CA ASN A 33 7.087 13.750 3.901 1.00 0.00 C ATOM 554 C ASN A 33 7.726 13.632 2.522 1.00 0.00 C ATOM 555 O ASN A 33 7.628 14.541 1.698 1.00 0.00 O ATOM 556 CB ASN A 33 7.994 14.538 4.858 1.00 0.00 C ATOM 557 CG ASN A 33 9.413 13.996 4.918 1.00 0.00 C ATOM 558 OD1 ASN A 33 10.276 14.396 4.137 1.00 0.00 O ATOM 559 ND2 ASN A 33 9.668 13.088 5.847 1.00 0.00 N ATOM 0 H ASN A 33 7.543 11.791 4.458 1.00 0.00 H new ATOM 0 HA ASN A 33 6.155 14.308 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.023 15.582 4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.561 14.518 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.606 12.696 5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.927 12.781 6.477 1.00 0.00 H new ATOM 566 N ASP A 34 8.373 12.497 2.271 1.00 0.00 N ATOM 567 CA ASP A 34 9.126 12.296 1.065 1.00 0.00 C ATOM 568 C ASP A 34 8.324 11.572 -0.002 1.00 0.00 C ATOM 569 O ASP A 34 8.880 10.934 -0.894 1.00 0.00 O ATOM 570 CB ASP A 34 10.423 11.541 1.360 1.00 0.00 C ATOM 571 CG ASP A 34 10.177 10.133 1.866 1.00 0.00 C ATOM 572 OD1 ASP A 34 10.484 9.168 1.135 1.00 0.00 O ATOM 573 OD2 ASP A 34 9.683 9.981 3.002 1.00 0.00 O ATOM 0 H ASP A 34 8.382 11.699 2.906 1.00 0.00 H new ATOM 0 HA ASP A 34 9.369 13.283 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.027 11.497 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.000 12.094 2.101 1.00 0.00 H new ATOM 578 N VAL A 35 7.020 11.693 0.080 1.00 0.00 N ATOM 579 CA VAL A 35 6.139 11.071 -0.894 1.00 0.00 C ATOM 580 C VAL A 35 5.215 12.105 -1.527 1.00 0.00 C ATOM 581 O VAL A 35 4.099 12.330 -1.057 1.00 0.00 O ATOM 582 CB VAL A 35 5.304 9.938 -0.295 1.00 0.00 C ATOM 583 CG1 VAL A 35 4.398 9.313 -1.345 1.00 0.00 C ATOM 584 CG2 VAL A 35 6.188 8.873 0.329 1.00 0.00 C ATOM 0 H VAL A 35 6.540 12.217 0.811 1.00 0.00 H new ATOM 0 HA VAL A 35 6.784 10.639 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 35 4.682 10.372 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.816 8.510 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.723 10.072 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.005 8.908 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.565 8.082 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.846 8.454 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.789 9.318 1.122 1.00 0.00 H new ATOM 594 N PRO A 36 5.681 12.773 -2.591 1.00 0.00 N ATOM 595 CA PRO A 36 4.856 13.705 -3.349 1.00 0.00 C ATOM 596 C PRO A 36 3.950 12.976 -4.337 1.00 0.00 C ATOM 597 O PRO A 36 2.990 13.544 -4.852 1.00 0.00 O ATOM 598 CB PRO A 36 5.886 14.559 -4.086 1.00 0.00 C ATOM 599 CG PRO A 36 7.056 13.656 -4.282 1.00 0.00 C ATOM 600 CD PRO A 36 7.059 12.697 -3.118 1.00 0.00 C ATOM 0 HA PRO A 36 4.184 14.285 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.496 14.914 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.159 15.440 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.977 13.118 -5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.984 14.226 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.310 11.685 -3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.791 12.986 -2.364 1.00 0.00 H new ATOM 608 N ASN A 37 4.252 11.705 -4.580 1.00 0.00 N ATOM 609 CA ASN A 37 3.502 10.912 -5.541 1.00 0.00 C ATOM 610 C ASN A 37 3.349 9.472 -5.064 1.00 0.00 C ATOM 611 O ASN A 37 4.340 8.772 -4.834 1.00 0.00 O ATOM 612 CB ASN A 37 4.192 10.933 -6.907 1.00 0.00 C ATOM 613 CG ASN A 37 3.420 10.157 -7.957 1.00 0.00 C ATOM 614 OD1 ASN A 37 3.628 8.956 -8.139 1.00 0.00 O ATOM 615 ND2 ASN A 37 2.527 10.837 -8.657 1.00 0.00 N ATOM 0 H ASN A 37 5.013 11.203 -4.122 1.00 0.00 H new ATOM 0 HA ASN A 37 2.510 11.354 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.310 11.966 -7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.193 10.513 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.980 10.368 -9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.385 11.831 -8.475 1.00 0.00 H new ATOM 622 N ALA A 38 2.103 9.054 -4.904 1.00 0.00 N ATOM 623 CA ALA A 38 1.768 7.683 -4.547 1.00 0.00 C ATOM 624 C ALA A 38 0.344 7.396 -5.008 1.00 0.00 C ATOM 625 O ALA A 38 -0.465 8.315 -5.107 1.00 0.00 O ATOM 626 CB ALA A 38 1.908 7.460 -3.045 1.00 0.00 C ATOM 0 H ALA A 38 1.290 9.660 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 38 2.458 6.999 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.652 6.428 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.936 7.659 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.236 8.134 -2.513 1.00 0.00 H new ATOM 632 N VAL A 39 0.049 6.151 -5.329 1.00 0.00 N ATOM 633 CA VAL A 39 -1.245 5.769 -5.797 1.00 0.00 C ATOM 634 C VAL A 39 -1.757 4.589 -4.976 1.00 0.00 C ATOM 635 O VAL A 39 -0.966 3.851 -4.414 1.00 0.00 O ATOM 636 CB VAL A 39 -1.130 5.368 -7.280 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.121 4.289 -7.613 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.314 6.563 -8.186 1.00 0.00 C ATOM 0 H VAL A 39 0.714 5.380 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.944 6.599 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.126 4.977 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.025 4.019 -8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.927 3.413 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.131 4.651 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.227 6.248 -9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.300 6.998 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.548 7.307 -7.967 1.00 0.00 H new ATOM 648 N ALA A 40 -3.066 4.436 -4.888 1.00 0.00 N ATOM 649 CA ALA A 40 -3.658 3.216 -4.350 1.00 0.00 C ATOM 650 C ALA A 40 -4.673 2.678 -5.333 1.00 0.00 C ATOM 651 O ALA A 40 -5.851 3.029 -5.286 1.00 0.00 O ATOM 652 CB ALA A 40 -4.315 3.472 -3.003 1.00 0.00 C ATOM 0 H ALA A 40 -3.743 5.140 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.867 2.481 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.747 2.545 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.568 3.837 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.101 4.219 -3.118 1.00 0.00 H new ATOM 658 N HIS A 41 -4.203 1.856 -6.244 1.00 0.00 N ATOM 659 CA HIS A 41 -5.059 1.222 -7.223 1.00 0.00 C ATOM 660 C HIS A 41 -5.632 -0.034 -6.593 1.00 0.00 C ATOM 661 O HIS A 41 -5.002 -1.088 -6.616 1.00 0.00 O ATOM 662 CB HIS A 41 -4.252 0.883 -8.480 1.00 0.00 C ATOM 663 CG HIS A 41 -5.072 0.749 -9.720 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.056 1.689 -10.727 1.00 0.00 N ATOM 665 CD2 HIS A 41 -5.915 -0.228 -10.132 1.00 0.00 C ATOM 666 CE1 HIS A 41 -5.852 1.298 -11.704 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.386 0.139 -11.367 1.00 0.00 N ATOM 0 H HIS A 41 -3.217 1.608 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.868 1.889 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.503 1.659 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.714 -0.050 -8.312 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -4.513 2.553 -10.719 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.169 -1.127 -9.590 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.035 1.835 -12.623 1.00 0.00 H new ATOM 676 N VAL A 42 -6.809 0.081 -6.008 1.00 0.00 N ATOM 677 CA VAL A 42 -7.335 -0.953 -5.169 1.00 0.00 C ATOM 678 C VAL A 42 -8.608 -1.453 -5.789 1.00 0.00 C ATOM 679 O VAL A 42 -9.260 -0.730 -6.505 1.00 0.00 O ATOM 680 CB VAL A 42 -7.577 -0.353 -3.788 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.753 -0.994 -3.115 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.333 -0.527 -2.957 1.00 0.00 C ATOM 0 H VAL A 42 -7.417 0.894 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.649 -1.794 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.804 0.708 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.900 -0.545 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.646 -0.842 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.569 -2.062 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.495 -0.101 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.104 -1.588 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.499 -0.017 -3.439 1.00 0.00 H new ATOM 692 N LYS A 43 -8.927 -2.688 -5.551 1.00 0.00 N ATOM 693 CA LYS A 43 -10.073 -3.301 -6.190 1.00 0.00 C ATOM 694 C LYS A 43 -10.677 -4.343 -5.287 1.00 0.00 C ATOM 695 O LYS A 43 -10.087 -5.373 -5.008 1.00 0.00 O ATOM 696 CB LYS A 43 -9.661 -3.889 -7.545 1.00 0.00 C ATOM 697 CG LYS A 43 -10.816 -4.412 -8.385 1.00 0.00 C ATOM 698 CD LYS A 43 -10.387 -4.665 -9.827 1.00 0.00 C ATOM 699 CE LYS A 43 -9.252 -5.674 -9.914 1.00 0.00 C ATOM 700 NZ LYS A 43 -9.674 -7.025 -9.469 1.00 0.00 N ATOM 0 H LYS A 43 -8.414 -3.301 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.837 -2.545 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.133 -3.123 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.956 -4.702 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.195 -5.336 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.635 -3.693 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.240 -5.028 -10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.073 -3.726 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.892 -5.727 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.417 -5.335 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.016 -7.736 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.668 -7.066 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.634 -7.221 -9.818 1.00 0.00 H new ATOM 714 N VAL A 44 -11.863 -4.042 -4.842 1.00 0.00 N ATOM 715 CA VAL A 44 -12.538 -4.824 -3.840 1.00 0.00 C ATOM 716 C VAL A 44 -13.860 -5.334 -4.410 1.00 0.00 C ATOM 717 O VAL A 44 -14.386 -4.786 -5.379 1.00 0.00 O ATOM 718 CB VAL A 44 -12.828 -3.979 -2.588 1.00 0.00 C ATOM 719 CG1 VAL A 44 -13.996 -3.075 -2.856 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.106 -4.854 -1.386 1.00 0.00 C ATOM 0 H VAL A 44 -12.397 -3.237 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.895 -5.658 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.946 -3.380 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.203 -2.475 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.762 -2.417 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.872 -3.675 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.307 -4.226 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.973 -5.484 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.239 -5.483 -1.186 1.00 0.00 H new ATOM 730 N LYS A 45 -14.354 -6.393 -3.819 1.00 0.00 N ATOM 731 CA LYS A 45 -15.596 -7.030 -4.218 1.00 0.00 C ATOM 732 C LYS A 45 -16.230 -7.694 -3.008 1.00 0.00 C ATOM 733 O LYS A 45 -15.538 -8.326 -2.212 1.00 0.00 O ATOM 734 CB LYS A 45 -15.346 -8.091 -5.293 1.00 0.00 C ATOM 735 CG LYS A 45 -15.085 -7.528 -6.677 1.00 0.00 C ATOM 736 CD LYS A 45 -14.984 -8.639 -7.709 1.00 0.00 C ATOM 737 CE LYS A 45 -14.793 -8.088 -9.111 1.00 0.00 C ATOM 738 NZ LYS A 45 -13.535 -7.311 -9.237 1.00 0.00 N ATOM 0 H LYS A 45 -13.898 -6.850 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.259 -6.267 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.493 -8.700 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.210 -8.754 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.888 -6.844 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.161 -6.949 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.149 -9.294 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.887 -9.248 -7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.784 -8.911 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.639 -7.451 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.367 -7.083 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.615 -6.430 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.741 -7.875 -8.872 1.00 0.00 H new ATOM 752 N THR A 46 -17.526 -7.537 -2.852 1.00 0.00 N ATOM 753 CA THR A 46 -18.238 -8.219 -1.788 1.00 0.00 C ATOM 754 C THR A 46 -19.665 -8.536 -2.213 1.00 0.00 C ATOM 755 O THR A 46 -20.514 -7.651 -2.332 1.00 0.00 O ATOM 756 CB THR A 46 -18.232 -7.410 -0.466 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.065 -8.042 0.514 1.00 0.00 O ATOM 758 CG2 THR A 46 -18.689 -5.976 -0.677 1.00 0.00 C ATOM 0 H THR A 46 -18.109 -6.946 -3.445 1.00 0.00 H new ATOM 0 HA THR A 46 -17.710 -9.154 -1.598 1.00 0.00 H new ATOM 0 HB THR A 46 -17.203 -7.387 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.569 -8.135 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 46 -18.670 -5.444 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.021 -5.481 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.704 -5.972 -1.074 1.00 0.00 H new ATOM 766 N TYR A 47 -19.909 -9.801 -2.499 1.00 0.00 N ATOM 767 CA TYR A 47 -21.253 -10.268 -2.758 1.00 0.00 C ATOM 768 C TYR A 47 -21.604 -11.299 -1.703 1.00 0.00 C ATOM 769 O TYR A 47 -21.813 -12.478 -1.992 1.00 0.00 O ATOM 770 CB TYR A 47 -21.350 -10.857 -4.168 1.00 0.00 C ATOM 771 CG TYR A 47 -20.869 -9.901 -5.239 1.00 0.00 C ATOM 772 CD1 TYR A 47 -19.599 -10.024 -5.791 1.00 0.00 C ATOM 773 CD2 TYR A 47 -21.678 -8.866 -5.679 1.00 0.00 C ATOM 774 CE1 TYR A 47 -19.153 -9.136 -6.753 1.00 0.00 C ATOM 775 CE2 TYR A 47 -21.241 -7.979 -6.641 1.00 0.00 C ATOM 776 CZ TYR A 47 -19.979 -8.116 -7.174 1.00 0.00 C ATOM 777 OH TYR A 47 -19.541 -7.225 -8.129 1.00 0.00 O ATOM 0 H TYR A 47 -19.191 -10.523 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 47 -21.961 -9.441 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -20.762 -11.773 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.385 -11.132 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -18.952 -10.824 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -22.668 -8.752 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -18.163 -9.241 -7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -21.887 -7.180 -6.975 1.00 0.00 H new ATOM 0 HH TYR A 47 -20.246 -6.570 -8.313 1.00 0.00 H new ATOM 787 N SER A 48 -21.675 -10.813 -0.473 1.00 0.00 N ATOM 788 CA SER A 48 -21.869 -11.634 0.709 1.00 0.00 C ATOM 789 C SER A 48 -22.221 -10.722 1.878 1.00 0.00 C ATOM 790 O SER A 48 -22.344 -9.512 1.692 1.00 0.00 O ATOM 791 CB SER A 48 -20.606 -12.444 1.021 1.00 0.00 C ATOM 792 OG SER A 48 -20.307 -13.362 -0.019 1.00 0.00 O ATOM 0 H SER A 48 -21.598 -9.817 -0.266 1.00 0.00 H new ATOM 0 HA SER A 48 -22.679 -12.342 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 48 -19.764 -11.767 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.741 -12.985 1.958 1.00 0.00 H new ATOM 0 HG SER A 48 -21.051 -13.389 -0.656 1.00 0.00 H new ATOM 798 N ASN A 49 -22.376 -11.278 3.070 1.00 0.00 N ATOM 799 CA ASN A 49 -22.860 -10.498 4.204 1.00 0.00 C ATOM 800 C ASN A 49 -21.862 -9.424 4.637 1.00 0.00 C ATOM 801 O ASN A 49 -22.161 -8.230 4.564 1.00 0.00 O ATOM 802 CB ASN A 49 -23.187 -11.411 5.390 1.00 0.00 C ATOM 803 CG ASN A 49 -24.333 -12.362 5.094 1.00 0.00 C ATOM 804 OD1 ASN A 49 -24.122 -13.496 4.662 1.00 0.00 O ATOM 805 ND2 ASN A 49 -25.552 -11.906 5.314 1.00 0.00 N ATOM 0 H ASN A 49 -22.177 -12.256 3.279 1.00 0.00 H new ATOM 0 HA ASN A 49 -23.768 -9.994 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -22.301 -11.987 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -23.441 -10.799 6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -26.360 -12.499 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -25.686 -10.961 5.672 1.00 0.00 H new ATOM 812 N SER A 50 -20.675 -9.832 5.071 1.00 0.00 N ATOM 813 CA SER A 50 -19.716 -8.883 5.622 1.00 0.00 C ATOM 814 C SER A 50 -18.320 -9.056 5.036 1.00 0.00 C ATOM 815 O SER A 50 -17.347 -8.477 5.521 1.00 0.00 O ATOM 816 CB SER A 50 -19.703 -8.967 7.152 1.00 0.00 C ATOM 817 OG SER A 50 -18.878 -7.966 7.727 1.00 0.00 O ATOM 0 H SER A 50 -20.357 -10.801 5.053 1.00 0.00 H new ATOM 0 HA SER A 50 -20.041 -7.883 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.720 -8.862 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.349 -9.951 7.459 1.00 0.00 H new ATOM 0 HG SER A 50 -18.101 -7.812 7.150 1.00 0.00 H new ATOM 823 N ALA A 51 -18.236 -9.861 4.006 1.00 0.00 N ATOM 824 CA ALA A 51 -16.959 -10.146 3.345 1.00 0.00 C ATOM 825 C ALA A 51 -16.410 -8.920 2.663 1.00 0.00 C ATOM 826 O ALA A 51 -17.133 -7.951 2.432 1.00 0.00 O ATOM 827 CB ALA A 51 -17.110 -11.188 2.263 1.00 0.00 C ATOM 0 H ALA A 51 -19.037 -10.341 3.595 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.293 -10.495 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.142 -11.372 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.484 -12.114 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.813 -10.832 1.510 1.00 0.00 H new ATOM 833 N THR A 52 -15.128 -8.962 2.325 1.00 0.00 N ATOM 834 CA THR A 52 -14.605 -8.078 1.362 1.00 0.00 C ATOM 835 C THR A 52 -13.347 -8.640 0.698 1.00 0.00 C ATOM 836 O THR A 52 -12.338 -8.872 1.358 1.00 0.00 O ATOM 837 CB THR A 52 -14.307 -6.701 1.940 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.683 -6.709 3.297 1.00 0.00 O ATOM 839 CG2 THR A 52 -15.072 -5.613 1.204 1.00 0.00 C ATOM 0 H THR A 52 -14.450 -9.612 2.721 1.00 0.00 H new ATOM 0 HA THR A 52 -15.382 -7.969 0.606 1.00 0.00 H new ATOM 0 HB THR A 52 -13.244 -6.487 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.959 -5.808 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.836 -4.643 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.786 -5.615 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.143 -5.799 1.290 1.00 0.00 H new ATOM 847 N LYS A 53 -13.418 -8.866 -0.604 1.00 0.00 N ATOM 848 CA LYS A 53 -12.288 -9.368 -1.365 1.00 0.00 C ATOM 849 C LYS A 53 -11.565 -8.218 -2.032 1.00 0.00 C ATOM 850 O LYS A 53 -12.164 -7.465 -2.782 1.00 0.00 O ATOM 851 CB LYS A 53 -12.786 -10.344 -2.422 1.00 0.00 C ATOM 852 CG LYS A 53 -13.710 -11.421 -1.881 1.00 0.00 C ATOM 853 CD LYS A 53 -14.302 -12.252 -3.005 1.00 0.00 C ATOM 854 CE LYS A 53 -15.379 -13.197 -2.501 1.00 0.00 C ATOM 855 NZ LYS A 53 -14.840 -14.225 -1.574 1.00 0.00 N ATOM 0 H LYS A 53 -14.258 -8.707 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.598 -9.879 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.310 -9.787 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.927 -10.820 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.159 -12.068 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.512 -10.960 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.724 -11.591 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.511 -12.826 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.154 -12.623 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.853 -13.690 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.609 -14.856 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.107 -14.781 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.426 -13.759 -0.742 1.00 0.00 H new ATOM 869 N ILE A 54 -10.281 -8.103 -1.779 1.00 0.00 N ATOM 870 CA ILE A 54 -9.532 -6.932 -2.186 1.00 0.00 C ATOM 871 C ILE A 54 -8.393 -7.239 -3.116 1.00 0.00 C ATOM 872 O ILE A 54 -7.920 -8.370 -3.216 1.00 0.00 O ATOM 873 CB ILE A 54 -8.924 -6.195 -0.984 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.369 -7.161 0.077 1.00 0.00 C ATOM 875 CG2 ILE A 54 -9.962 -5.290 -0.428 1.00 0.00 C ATOM 876 CD1 ILE A 54 -9.368 -7.586 1.136 1.00 0.00 C ATOM 0 H ILE A 54 -9.730 -8.809 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.269 -6.316 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.064 -5.611 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.992 -8.052 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.519 -6.688 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.555 -4.753 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.269 -4.575 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.825 -5.876 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.886 -8.266 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.728 -6.707 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.209 -8.092 0.661 1.00 0.00 H new ATOM 888 N GLU A 55 -7.962 -6.192 -3.785 1.00 0.00 N ATOM 889 CA GLU A 55 -6.775 -6.202 -4.580 1.00 0.00 C ATOM 890 C GLU A 55 -6.174 -4.821 -4.554 1.00 0.00 C ATOM 891 O GLU A 55 -6.679 -3.907 -5.169 1.00 0.00 O ATOM 892 CB GLU A 55 -7.089 -6.556 -6.014 1.00 0.00 C ATOM 893 CG GLU A 55 -7.127 -8.043 -6.310 1.00 0.00 C ATOM 894 CD GLU A 55 -7.515 -8.332 -7.741 1.00 0.00 C ATOM 895 OE1 GLU A 55 -6.752 -7.970 -8.659 1.00 0.00 O ATOM 896 OE2 GLU A 55 -8.594 -8.917 -7.963 1.00 0.00 O ATOM 0 H GLU A 55 -8.446 -5.294 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.086 -6.944 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.054 -6.123 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.344 -6.091 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.148 -8.477 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.836 -8.527 -5.639 1.00 0.00 H new ATOM 903 N VAL A 56 -5.085 -4.679 -3.877 1.00 0.00 N ATOM 904 CA VAL A 56 -4.442 -3.388 -3.765 1.00 0.00 C ATOM 905 C VAL A 56 -3.273 -3.383 -4.683 1.00 0.00 C ATOM 906 O VAL A 56 -2.654 -4.410 -4.938 1.00 0.00 O ATOM 907 CB VAL A 56 -3.919 -3.086 -2.323 1.00 0.00 C ATOM 908 CG1 VAL A 56 -4.022 -4.331 -1.520 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.456 -2.561 -2.323 1.00 0.00 C ATOM 0 H VAL A 56 -4.610 -5.437 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.182 -2.627 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.531 -2.296 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.662 -4.143 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.062 -4.653 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.417 -5.112 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.139 -2.366 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.801 -3.309 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.400 -1.639 -2.902 1.00 0.00 H new ATOM 919 N THR A 57 -3.028 -2.243 -5.205 1.00 0.00 N ATOM 920 CA THR A 57 -1.775 -1.969 -5.848 1.00 0.00 C ATOM 921 C THR A 57 -1.479 -0.491 -5.705 1.00 0.00 C ATOM 922 O THR A 57 -2.067 0.352 -6.368 1.00 0.00 O ATOM 923 CB THR A 57 -1.765 -2.357 -7.337 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.239 -3.703 -7.511 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.364 -2.236 -7.915 1.00 0.00 C ATOM 0 H THR A 57 -3.684 -1.462 -5.206 1.00 0.00 H new ATOM 0 HA THR A 57 -1.010 -2.576 -5.364 1.00 0.00 H new ATOM 0 HB THR A 57 -2.428 -1.672 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.205 -3.733 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.380 -2.515 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.018 -1.207 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.311 -2.899 -7.374 1.00 0.00 H new ATOM 933 N ILE A 58 -0.571 -0.213 -4.825 1.00 0.00 N ATOM 934 CA ILE A 58 -0.271 1.118 -4.366 1.00 0.00 C ATOM 935 C ILE A 58 1.145 1.523 -4.835 1.00 0.00 C ATOM 936 O ILE A 58 2.143 1.243 -4.165 1.00 0.00 O ATOM 937 CB ILE A 58 -0.350 1.090 -2.824 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.803 0.996 -2.356 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.328 2.298 -2.187 1.00 0.00 C ATOM 940 CD1 ILE A 58 -1.951 0.753 -0.869 1.00 0.00 C ATOM 0 H ILE A 58 0.007 -0.929 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.974 1.847 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 58 0.189 0.201 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.320 1.920 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.298 0.190 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.245 2.232 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.380 2.316 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.156 3.211 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.009 0.698 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.464 -0.185 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.486 1.571 -0.319 1.00 0.00 H new ATOM 952 N PRO A 59 1.247 2.097 -6.042 1.00 0.00 N ATOM 953 CA PRO A 59 2.501 2.632 -6.592 1.00 0.00 C ATOM 954 C PRO A 59 2.956 3.942 -5.953 1.00 0.00 C ATOM 955 O PRO A 59 2.389 5.003 -6.215 1.00 0.00 O ATOM 956 CB PRO A 59 2.157 2.897 -8.070 1.00 0.00 C ATOM 957 CG PRO A 59 0.916 2.125 -8.318 1.00 0.00 C ATOM 958 CD PRO A 59 0.174 2.184 -7.023 1.00 0.00 C ATOM 0 HA PRO A 59 3.318 1.933 -6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.004 3.960 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.963 2.571 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.333 2.560 -9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.138 1.096 -8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.394 3.109 -6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.535 1.362 -6.923 1.00 0.00 H new ATOM 966 N LEU A 60 3.984 3.867 -5.126 1.00 0.00 N ATOM 967 CA LEU A 60 4.702 5.046 -4.697 1.00 0.00 C ATOM 968 C LEU A 60 5.820 5.309 -5.698 1.00 0.00 C ATOM 969 O LEU A 60 5.952 4.565 -6.673 1.00 0.00 O ATOM 970 CB LEU A 60 5.306 4.837 -3.305 1.00 0.00 C ATOM 971 CG LEU A 60 4.373 5.084 -2.115 1.00 0.00 C ATOM 972 CD1 LEU A 60 3.310 4.004 -2.022 1.00 0.00 C ATOM 973 CD2 LEU A 60 5.171 5.161 -0.823 1.00 0.00 C ATOM 0 H LEU A 60 4.339 2.993 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 60 4.017 5.892 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.676 3.814 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.170 5.495 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 60 3.870 6.038 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.662 4.204 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.716 3.999 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.788 3.033 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.494 5.337 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.703 4.223 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.889 5.979 -0.887 1.00 0.00 H new ATOM 985 N LYS A 61 6.612 6.354 -5.489 1.00 0.00 N ATOM 986 CA LYS A 61 7.821 6.521 -6.274 1.00 0.00 C ATOM 987 C LYS A 61 8.675 5.311 -6.062 1.00 0.00 C ATOM 988 O LYS A 61 9.105 4.631 -6.995 1.00 0.00 O ATOM 989 CB LYS A 61 8.655 7.680 -5.775 1.00 0.00 C ATOM 990 CG LYS A 61 7.898 8.984 -5.579 1.00 0.00 C ATOM 991 CD LYS A 61 8.802 10.071 -5.013 1.00 0.00 C ATOM 992 CE LYS A 61 10.085 10.234 -5.820 1.00 0.00 C ATOM 993 NZ LYS A 61 9.823 10.648 -7.225 1.00 0.00 N ATOM 0 H LYS A 61 6.441 7.083 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 61 7.525 6.682 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.111 7.397 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.468 7.853 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.484 9.313 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.057 8.821 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.262 11.018 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.053 9.830 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.722 10.976 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.634 9.293 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.726 10.762 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.252 9.921 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.308 11.551 -7.230 1.00 0.00 H new ATOM 1007 N ASN A 62 8.890 5.064 -4.782 1.00 0.00 N ATOM 1008 CA ASN A 62 9.865 4.120 -4.342 1.00 0.00 C ATOM 1009 C ASN A 62 9.490 2.706 -4.757 1.00 0.00 C ATOM 1010 O ASN A 62 10.177 2.072 -5.556 1.00 0.00 O ATOM 1011 CB ASN A 62 10.032 4.191 -2.853 1.00 0.00 C ATOM 1012 CG ASN A 62 10.439 5.569 -2.389 1.00 0.00 C ATOM 1013 OD1 ASN A 62 9.641 6.308 -1.813 1.00 0.00 O ATOM 1014 ND2 ASN A 62 11.660 5.948 -2.708 1.00 0.00 N ATOM 0 H ASN A 62 8.383 5.523 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 62 10.812 4.375 -4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.096 3.909 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.784 3.467 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.978 6.889 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.287 5.300 -3.185 1.00 0.00 H new ATOM 1021 N VAL A 63 8.373 2.235 -4.221 1.00 0.00 N ATOM 1022 CA VAL A 63 7.909 0.883 -4.461 1.00 0.00 C ATOM 1023 C VAL A 63 6.394 0.859 -4.686 1.00 0.00 C ATOM 1024 O VAL A 63 5.678 1.769 -4.269 1.00 0.00 O ATOM 1025 CB VAL A 63 8.288 -0.018 -3.264 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.556 0.414 -2.002 1.00 0.00 C ATOM 1027 CG2 VAL A 63 8.038 -1.490 -3.564 1.00 0.00 C ATOM 0 H VAL A 63 7.766 2.781 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 63 8.390 0.503 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 63 9.358 0.102 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.841 -0.237 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.822 1.443 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.480 0.345 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.317 -2.090 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.982 -1.642 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.636 -1.793 -4.423 1.00 0.00 H new ATOM 1037 N THR A 64 5.927 -0.174 -5.364 1.00 0.00 N ATOM 1038 CA THR A 64 4.507 -0.370 -5.614 1.00 0.00 C ATOM 1039 C THR A 64 4.027 -1.630 -4.891 1.00 0.00 C ATOM 1040 O THR A 64 4.491 -2.728 -5.199 1.00 0.00 O ATOM 1041 CB THR A 64 4.242 -0.527 -7.126 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.654 0.656 -7.825 1.00 0.00 O ATOM 1043 CG2 THR A 64 2.772 -0.800 -7.405 1.00 0.00 C ATOM 0 H THR A 64 6.521 -0.903 -5.758 1.00 0.00 H new ATOM 0 HA THR A 64 3.967 0.501 -5.244 1.00 0.00 H new ATOM 0 HB THR A 64 4.822 -1.380 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.483 0.546 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.619 -0.905 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.471 -1.720 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.171 0.029 -7.033 1.00 0.00 H new ATOM 1051 N LEU A 65 3.120 -1.491 -3.927 1.00 0.00 N ATOM 1052 CA LEU A 65 2.633 -2.667 -3.206 1.00 0.00 C ATOM 1053 C LEU A 65 1.338 -3.170 -3.732 1.00 0.00 C ATOM 1054 O LEU A 65 0.395 -2.434 -3.927 1.00 0.00 O ATOM 1055 CB LEU A 65 2.461 -2.452 -1.709 1.00 0.00 C ATOM 1056 CG LEU A 65 3.774 -2.492 -0.912 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.438 -1.118 -0.762 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.540 -3.139 0.439 1.00 0.00 C ATOM 0 H LEU A 65 2.716 -0.602 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 65 3.422 -3.401 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.979 -1.488 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.789 -3.216 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 65 4.477 -3.096 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.360 -1.220 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.667 -0.715 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.760 -0.441 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.476 -3.163 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.800 -2.563 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.176 -4.156 0.297 1.00 0.00 H new ATOM 1070 N ARG A 66 1.297 -4.450 -3.917 1.00 0.00 N ATOM 1071 CA ARG A 66 0.095 -5.100 -4.316 1.00 0.00 C ATOM 1072 C ARG A 66 -0.302 -6.175 -3.328 1.00 0.00 C ATOM 1073 O ARG A 66 0.536 -6.935 -2.844 1.00 0.00 O ATOM 1074 CB ARG A 66 0.273 -5.703 -5.676 1.00 0.00 C ATOM 1075 CG ARG A 66 -0.868 -6.625 -6.075 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.033 -6.730 -7.573 1.00 0.00 C ATOM 1077 NE ARG A 66 -2.037 -7.735 -7.916 1.00 0.00 N ATOM 1078 CZ ARG A 66 -3.296 -7.460 -8.263 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -3.705 -6.199 -8.385 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -4.144 -8.454 -8.489 1.00 0.00 N ATOM 0 H ARG A 66 2.096 -5.072 -3.795 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.700 -4.355 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.361 -4.904 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.209 -6.262 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.689 -7.618 -5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.796 -6.260 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.327 -5.762 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.079 -6.992 -8.031 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.756 -8.715 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.054 -5.433 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.669 -5.999 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.833 -9.421 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.108 -8.252 -8.755 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.577 -6.229 -3.046 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.127 -7.323 -2.234 1.00 0.00 C ATOM 1096 C ALA A 67 -3.472 -7.772 -2.770 1.00 0.00 C ATOM 1097 O ALA A 67 -4.445 -7.029 -2.747 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.242 -6.958 -0.755 1.00 0.00 C ATOM 0 H ALA A 67 -2.264 -5.541 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.420 -8.149 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.654 -7.803 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.255 -6.715 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.900 -6.096 -0.643 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.514 -8.991 -3.259 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.743 -9.562 -3.774 1.00 0.00 C ATOM 1106 C GLU A 68 -5.282 -10.589 -2.785 1.00 0.00 C ATOM 1107 O GLU A 68 -4.864 -11.747 -2.766 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.514 -10.170 -5.164 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.234 -10.979 -5.293 1.00 0.00 C ATOM 1110 CD GLU A 68 -3.011 -11.473 -6.707 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -2.330 -10.770 -7.488 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -3.521 -12.563 -7.049 1.00 0.00 O ATOM 0 H GLU A 68 -2.706 -9.612 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.490 -8.777 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.361 -10.811 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.497 -9.366 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.386 -10.367 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.274 -11.831 -4.614 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.208 -10.142 -1.951 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.709 -10.947 -0.848 1.00 0.00 C ATOM 1121 C GLU A 69 -8.228 -11.053 -0.883 1.00 0.00 C ATOM 1122 O GLU A 69 -8.931 -10.095 -0.588 1.00 0.00 O ATOM 1123 CB GLU A 69 -6.284 -10.321 0.482 1.00 0.00 C ATOM 1124 CG GLU A 69 -4.784 -10.289 0.699 1.00 0.00 C ATOM 1125 CD GLU A 69 -4.189 -11.672 0.811 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -4.507 -12.381 1.787 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -3.389 -12.055 -0.067 1.00 0.00 O ATOM 0 H GLU A 69 -6.631 -9.216 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.289 -11.948 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.669 -9.303 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.747 -10.877 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.311 -9.759 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.563 -9.727 1.606 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.737 -12.209 -1.247 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.166 -12.460 -1.156 1.00 0.00 C ATOM 1136 C ARG A 70 -10.487 -12.963 0.248 1.00 0.00 C ATOM 1137 O ARG A 70 -10.754 -14.148 0.456 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.594 -13.477 -2.216 1.00 0.00 C ATOM 1139 CG ARG A 70 -10.387 -12.984 -3.639 1.00 0.00 C ATOM 1140 CD ARG A 70 -10.522 -14.107 -4.649 1.00 0.00 C ATOM 1141 NE ARG A 70 -9.476 -15.112 -4.481 1.00 0.00 N ATOM 1142 CZ ARG A 70 -9.188 -16.047 -5.381 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -9.865 -16.109 -6.523 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -8.221 -16.921 -5.136 1.00 0.00 N ATOM 0 H ARG A 70 -8.189 -12.990 -1.608 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.719 -11.539 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.031 -14.400 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.647 -13.720 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.115 -12.204 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.399 -12.533 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.499 -14.577 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.474 -13.697 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.932 -15.096 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.609 -15.437 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.640 -16.828 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.701 -16.874 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.997 -17.640 -5.824 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.437 -12.051 1.210 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.530 -12.417 2.618 1.00 0.00 C ATOM 1160 C ASN A 71 -11.809 -11.882 3.255 1.00 0.00 C ATOM 1161 O ASN A 71 -12.751 -11.502 2.556 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.306 -11.894 3.383 1.00 0.00 C ATOM 1163 CG ASN A 71 -8.024 -12.441 2.906 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -7.945 -13.475 2.242 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -6.998 -11.762 3.306 1.00 0.00 N ATOM 0 H ASN A 71 -10.332 -11.051 1.041 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.556 -13.505 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.278 -10.807 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.421 -12.134 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.056 -12.077 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.131 -10.912 3.854 1.00 0.00 H new ATOM 1172 N ASP A 72 -11.836 -11.859 4.580 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.022 -11.448 5.326 1.00 0.00 C ATOM 1174 C ASP A 72 -13.132 -9.924 5.389 1.00 0.00 C ATOM 1175 O ASP A 72 -14.105 -9.341 4.913 1.00 0.00 O ATOM 1176 CB ASP A 72 -12.964 -12.034 6.740 1.00 0.00 C ATOM 1177 CG ASP A 72 -14.220 -11.773 7.542 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -14.266 -10.770 8.279 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -15.167 -12.583 7.453 1.00 0.00 O ATOM 0 H ASP A 72 -11.044 -12.122 5.167 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.905 -11.826 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.799 -13.109 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.109 -11.611 7.267 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.123 -9.290 5.969 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.083 -7.834 6.099 1.00 0.00 C ATOM 1186 C ASP A 73 -11.211 -7.217 5.059 1.00 0.00 C ATOM 1187 O ASP A 73 -10.016 -7.477 4.942 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.604 -7.408 7.490 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.718 -7.371 8.514 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -13.661 -6.570 8.343 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -12.646 -8.119 9.509 1.00 0.00 O ATOM 0 H ASP A 73 -11.310 -9.765 6.362 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.103 -7.478 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.830 -8.097 7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.146 -6.421 7.424 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.890 -6.433 4.277 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.324 -5.412 3.449 1.00 0.00 C ATOM 1198 C LEU A 74 -10.149 -4.759 4.082 1.00 0.00 C ATOM 1199 O LEU A 74 -9.061 -4.702 3.517 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.396 -4.364 3.349 1.00 0.00 C ATOM 1201 CG LEU A 74 -11.993 -2.962 2.869 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.289 -3.015 1.531 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.214 -2.059 2.789 1.00 0.00 C ATOM 0 H LEU A 74 -12.905 -6.492 4.195 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.002 -5.841 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.167 -4.738 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.855 -4.261 4.332 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.294 -2.549 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.018 -2.005 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.388 -3.622 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.953 -3.456 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.912 -1.069 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.934 -2.481 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.672 -1.979 3.775 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.393 -4.235 5.260 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.431 -3.399 5.861 1.00 0.00 C ATOM 1217 C TYR A 75 -8.313 -4.229 6.427 1.00 0.00 C ATOM 1218 O TYR A 75 -7.257 -3.726 6.760 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.020 -2.400 6.843 1.00 0.00 C ATOM 1220 CG TYR A 75 -9.947 -1.098 6.264 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -11.077 -0.492 5.839 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -8.743 -0.509 6.085 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -11.019 0.696 5.234 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -8.655 0.688 5.493 1.00 0.00 C ATOM 1225 CZ TYR A 75 -9.794 1.314 5.050 1.00 0.00 C ATOM 1226 OH TYR A 75 -9.705 2.531 4.417 1.00 0.00 O ATOM 0 H TYR A 75 -11.245 -4.382 5.801 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.006 -2.763 5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -11.055 -2.656 7.069 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.472 -2.427 7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.033 -0.972 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.846 -1.008 6.422 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.924 1.174 4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.692 1.160 5.364 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.382 3.139 4.780 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.567 -5.523 6.504 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.561 -6.480 6.880 1.00 0.00 C ATOM 1238 C ALA A 76 -6.709 -6.769 5.671 1.00 0.00 C ATOM 1239 O ALA A 76 -5.521 -7.057 5.785 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.207 -7.755 7.348 1.00 0.00 C ATOM 0 H ALA A 76 -9.480 -5.933 6.306 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.954 -6.077 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.436 -8.472 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.841 -7.547 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.813 -8.172 6.544 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.339 -6.697 4.500 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.616 -6.880 3.277 1.00 0.00 C ATOM 1248 C GLY A 77 -5.728 -5.687 2.980 1.00 0.00 C ATOM 1249 O GLY A 77 -4.541 -5.822 2.686 1.00 0.00 O ATOM 0 H GLY A 77 -8.336 -6.515 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.007 -7.782 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.317 -7.028 2.456 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.337 -4.516 3.054 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.650 -3.282 2.872 1.00 0.00 C ATOM 1255 C ILE A 78 -4.677 -2.998 4.033 1.00 0.00 C ATOM 1256 O ILE A 78 -3.671 -2.373 3.813 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.649 -2.110 2.688 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.351 -2.232 1.332 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -5.957 -0.757 2.814 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -8.331 -1.113 1.045 1.00 0.00 C ATOM 0 H ILE A 78 -7.333 -4.411 3.245 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.058 -3.370 1.961 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.392 -2.170 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.598 -2.253 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.880 -3.184 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.689 0.040 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.504 -0.671 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.183 -0.672 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.787 -1.270 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.107 -1.104 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.805 -0.158 1.051 1.00 0.00 H new ATOM 1272 N ASP A 79 -4.956 -3.449 5.266 1.00 0.00 N ATOM 1273 CA ASP A 79 -3.961 -3.352 6.374 1.00 0.00 C ATOM 1274 C ASP A 79 -2.922 -4.412 6.247 1.00 0.00 C ATOM 1275 O ASP A 79 -1.823 -4.248 6.747 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.605 -3.423 7.747 1.00 0.00 C ATOM 1277 CG ASP A 79 -4.444 -2.125 8.511 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.325 -1.843 8.978 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -5.436 -1.377 8.651 1.00 0.00 O ATOM 0 H ASP A 79 -5.843 -3.879 5.530 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.493 -2.372 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.665 -3.653 7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.158 -4.238 8.316 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.234 -5.488 5.573 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.190 -6.394 5.185 1.00 0.00 C ATOM 1286 C LEU A 80 -1.238 -5.630 4.302 1.00 0.00 C ATOM 1287 O LEU A 80 -0.059 -5.506 4.604 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.743 -7.601 4.434 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.728 -8.706 4.143 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -1.209 -9.316 5.435 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -2.347 -9.770 3.259 1.00 0.00 C ATOM 0 H LEU A 80 -4.177 -5.753 5.288 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.687 -6.775 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.562 -8.026 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.165 -7.259 3.489 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.882 -8.266 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.488 -10.100 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.726 -8.544 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.041 -9.742 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.612 -10.550 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.211 -10.204 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.664 -9.322 2.317 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.776 -5.076 3.225 1.00 0.00 N ATOM 1304 CA ILE A 81 -0.959 -4.296 2.313 1.00 0.00 C ATOM 1305 C ILE A 81 -0.433 -2.985 2.908 1.00 0.00 C ATOM 1306 O ILE A 81 0.640 -2.551 2.537 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.700 -3.984 1.007 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.686 -3.956 -0.146 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.432 -2.646 1.100 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.449 -4.955 -0.014 1.00 0.00 C ATOM 0 H ILE A 81 -2.760 -5.151 2.965 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.099 -4.934 2.111 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.445 -4.758 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.213 -4.147 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.264 -2.954 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.949 -2.448 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.157 -2.684 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.712 -1.850 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.115 -4.864 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.006 -4.754 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.042 -5.965 0.024 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.168 -2.368 3.816 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.817 -1.055 4.371 1.00 0.00 C ATOM 1324 C ASN A 82 0.301 -1.210 5.367 1.00 0.00 C ATOM 1325 O ASN A 82 1.231 -0.410 5.434 1.00 0.00 O ATOM 1326 CB ASN A 82 -2.033 -0.457 5.092 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.896 1.001 5.501 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -2.901 1.692 5.639 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -0.681 1.483 5.711 1.00 0.00 N ATOM 0 H ASN A 82 -2.030 -2.758 4.196 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.506 -0.399 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.903 -0.555 4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.233 -1.050 5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.560 2.455 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.134 0.883 5.588 1.00 0.00 H new ATOM 1336 N ASN A 83 0.187 -2.246 6.143 1.00 0.00 N ATOM 1337 CA ASN A 83 1.114 -2.498 7.202 1.00 0.00 C ATOM 1338 C ASN A 83 2.377 -3.140 6.610 1.00 0.00 C ATOM 1339 O ASN A 83 3.508 -2.850 7.011 1.00 0.00 O ATOM 1340 CB ASN A 83 0.367 -3.367 8.209 1.00 0.00 C ATOM 1341 CG ASN A 83 0.956 -4.754 8.386 1.00 0.00 C ATOM 1342 OD1 ASN A 83 0.592 -5.694 7.680 1.00 0.00 O ATOM 1343 ND2 ASN A 83 1.865 -4.893 9.337 1.00 0.00 N ATOM 0 H ASN A 83 -0.554 -2.942 6.058 1.00 0.00 H new ATOM 0 HA ASN A 83 1.462 -1.602 7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.359 -2.861 9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.671 -3.462 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.291 -5.804 9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.140 -4.089 9.901 1.00 0.00 H new ATOM 1350 N LYS A 84 2.142 -3.991 5.615 1.00 0.00 N ATOM 1351 CA LYS A 84 3.215 -4.501 4.775 1.00 0.00 C ATOM 1352 C LYS A 84 3.808 -3.352 3.965 1.00 0.00 C ATOM 1353 O LYS A 84 4.967 -3.387 3.593 1.00 0.00 O ATOM 1354 CB LYS A 84 2.687 -5.590 3.837 1.00 0.00 C ATOM 1355 CG LYS A 84 3.753 -6.288 3.009 1.00 0.00 C ATOM 1356 CD LYS A 84 4.680 -7.125 3.873 1.00 0.00 C ATOM 1357 CE LYS A 84 5.621 -7.962 3.021 1.00 0.00 C ATOM 1358 NZ LYS A 84 4.883 -8.923 2.158 1.00 0.00 N ATOM 0 H LYS A 84 1.215 -4.341 5.373 1.00 0.00 H new ATOM 0 HA LYS A 84 3.988 -4.939 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.160 -6.337 4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.955 -5.146 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.276 -6.925 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.336 -5.544 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.260 -6.473 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.090 -7.778 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.227 -7.305 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.307 -8.508 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.537 -9.657 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.120 -9.367 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.476 -8.418 1.345 1.00 0.00 H new ATOM 1372 N LEU A 85 2.987 -2.339 3.696 1.00 0.00 N ATOM 1373 CA LEU A 85 3.421 -1.136 3.001 1.00 0.00 C ATOM 1374 C LEU A 85 4.413 -0.415 3.857 1.00 0.00 C ATOM 1375 O LEU A 85 5.499 -0.128 3.408 1.00 0.00 O ATOM 1376 CB LEU A 85 2.230 -0.222 2.658 1.00 0.00 C ATOM 1377 CG LEU A 85 2.557 1.111 1.972 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.406 1.528 1.074 1.00 0.00 C ATOM 1379 CD2 LEU A 85 2.822 2.205 3.001 1.00 0.00 C ATOM 0 H LEU A 85 2.001 -2.332 3.956 1.00 0.00 H new ATOM 0 HA LEU A 85 3.887 -1.420 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.549 -0.778 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.690 -0.006 3.580 1.00 0.00 H new ATOM 0 HG LEU A 85 3.457 0.972 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.646 2.475 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.242 0.764 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.502 1.645 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.051 3.139 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.938 2.341 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.667 1.918 3.627 1.00 0.00 H new ATOM 1391 N GLU A 86 4.047 -0.154 5.101 1.00 0.00 N ATOM 1392 CA GLU A 86 4.977 0.414 6.043 1.00 0.00 C ATOM 1393 C GLU A 86 6.261 -0.387 5.995 1.00 0.00 C ATOM 1394 O GLU A 86 7.337 0.154 5.778 1.00 0.00 O ATOM 1395 CB GLU A 86 4.385 0.357 7.443 1.00 0.00 C ATOM 1396 CG GLU A 86 3.272 1.353 7.695 1.00 0.00 C ATOM 1397 CD GLU A 86 2.759 1.274 9.115 1.00 0.00 C ATOM 1398 OE1 GLU A 86 1.771 0.550 9.360 1.00 0.00 O ATOM 1399 OE2 GLU A 86 3.349 1.920 10.002 1.00 0.00 O ATOM 0 H GLU A 86 3.114 -0.328 5.474 1.00 0.00 H new ATOM 0 HA GLU A 86 5.179 1.454 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.003 -0.648 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.181 0.529 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.634 2.361 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.452 1.165 7.001 1.00 0.00 H new ATOM 1406 N ARG A 87 6.104 -1.705 6.137 1.00 0.00 N ATOM 1407 CA ARG A 87 7.243 -2.605 6.175 1.00 0.00 C ATOM 1408 C ARG A 87 8.056 -2.591 4.874 1.00 0.00 C ATOM 1409 O ARG A 87 9.285 -2.597 4.912 1.00 0.00 O ATOM 1410 CB ARG A 87 6.779 -4.001 6.478 1.00 0.00 C ATOM 1411 CG ARG A 87 7.906 -4.988 6.739 1.00 0.00 C ATOM 1412 CD ARG A 87 7.363 -6.364 7.079 1.00 0.00 C ATOM 1413 NE ARG A 87 8.401 -7.259 7.586 1.00 0.00 N ATOM 1414 CZ ARG A 87 8.163 -8.249 8.446 1.00 0.00 C ATOM 1415 NH1 ARG A 87 6.926 -8.475 8.875 1.00 0.00 N ATOM 1416 NH2 ARG A 87 9.159 -9.013 8.880 1.00 0.00 N ATOM 0 H ARG A 87 5.198 -2.165 6.227 1.00 0.00 H new ATOM 0 HA ARG A 87 7.905 -2.252 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.125 -3.974 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.180 -4.363 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.546 -5.054 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.527 -4.627 7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.574 -6.267 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.910 -6.803 6.190 1.00 0.00 H new ATOM 0 HE ARG A 87 9.359 -7.119 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.157 -7.891 8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.745 -9.233 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.111 -8.843 8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.972 -9.769 9.538 1.00 0.00 H new ATOM 1430 N GLN A 88 7.379 -2.510 3.731 1.00 0.00 N ATOM 1431 CA GLN A 88 8.033 -2.730 2.441 1.00 0.00 C ATOM 1432 C GLN A 88 8.542 -1.414 1.938 1.00 0.00 C ATOM 1433 O GLN A 88 9.611 -1.314 1.341 1.00 0.00 O ATOM 1434 CB GLN A 88 7.070 -3.317 1.405 1.00 0.00 C ATOM 1435 CG GLN A 88 7.780 -4.031 0.263 1.00 0.00 C ATOM 1436 CD GLN A 88 6.833 -4.809 -0.629 1.00 0.00 C ATOM 1437 OE1 GLN A 88 6.317 -4.292 -1.620 1.00 0.00 O ATOM 1438 NE2 GLN A 88 6.608 -6.068 -0.286 1.00 0.00 N ATOM 0 H GLN A 88 6.384 -2.295 3.670 1.00 0.00 H new ATOM 0 HA GLN A 88 8.845 -3.442 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.397 -4.017 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.453 -2.516 0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.317 -3.298 -0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.525 -4.712 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.056 -6.458 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.987 -6.647 -0.851 1.00 0.00 H new ATOM 1447 N VAL A 89 7.746 -0.406 2.198 1.00 0.00 N ATOM 1448 CA VAL A 89 8.089 0.942 1.878 1.00 0.00 C ATOM 1449 C VAL A 89 9.356 1.337 2.615 1.00 0.00 C ATOM 1450 O VAL A 89 10.305 1.847 2.021 1.00 0.00 O ATOM 1451 CB VAL A 89 6.930 1.891 2.229 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.420 3.297 2.558 1.00 0.00 C ATOM 1453 CG2 VAL A 89 5.937 1.940 1.079 1.00 0.00 C ATOM 0 H VAL A 89 6.834 -0.508 2.643 1.00 0.00 H new ATOM 0 HA VAL A 89 8.271 1.019 0.806 1.00 0.00 H new ATOM 0 HB VAL A 89 6.441 1.499 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.568 3.932 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.096 3.256 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.947 3.709 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.119 2.614 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.438 2.301 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.541 0.941 0.897 1.00 0.00 H new ATOM 1463 N ARG A 90 9.371 1.054 3.913 1.00 0.00 N ATOM 1464 CA ARG A 90 10.551 1.362 4.723 1.00 0.00 C ATOM 1465 C ARG A 90 11.663 0.361 4.457 1.00 0.00 C ATOM 1466 O ARG A 90 12.835 0.688 4.609 1.00 0.00 O ATOM 1467 CB ARG A 90 10.262 1.428 6.226 1.00 0.00 C ATOM 1468 CG ARG A 90 9.958 0.091 6.878 1.00 0.00 C ATOM 1469 CD ARG A 90 9.531 0.271 8.326 1.00 0.00 C ATOM 1470 NE ARG A 90 8.379 1.166 8.449 1.00 0.00 N ATOM 1471 CZ ARG A 90 7.633 1.278 9.548 1.00 0.00 C ATOM 1472 NH1 ARG A 90 7.902 0.539 10.615 1.00 0.00 N ATOM 1473 NH2 ARG A 90 6.620 2.133 9.573 1.00 0.00 N ATOM 0 H ARG A 90 8.599 0.621 4.421 1.00 0.00 H new ATOM 0 HA ARG A 90 10.868 2.359 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.122 1.873 6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.416 2.096 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.168 -0.416 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.840 -0.548 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.283 -0.700 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.365 0.671 8.903 1.00 0.00 H new ATOM 0 HE ARG A 90 8.132 1.740 7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.682 -0.118 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.329 0.627 11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.413 2.703 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.047 2.221 10.413 1.00 0.00 H new ATOM 1487 N LYS A 91 11.302 -0.858 4.064 1.00 0.00 N ATOM 1488 CA LYS A 91 12.296 -1.826 3.638 1.00 0.00 C ATOM 1489 C LYS A 91 13.060 -1.226 2.482 1.00 0.00 C ATOM 1490 O LYS A 91 14.281 -1.143 2.492 1.00 0.00 O ATOM 1491 CB LYS A 91 11.621 -3.121 3.178 1.00 0.00 C ATOM 1492 CG LYS A 91 12.342 -4.392 3.601 1.00 0.00 C ATOM 1493 CD LYS A 91 13.694 -4.537 2.923 1.00 0.00 C ATOM 1494 CE LYS A 91 14.394 -5.811 3.361 1.00 0.00 C ATOM 1495 NZ LYS A 91 13.586 -7.021 3.052 1.00 0.00 N ATOM 0 H LYS A 91 10.339 -1.192 4.033 1.00 0.00 H new ATOM 0 HA LYS A 91 12.962 -2.061 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.605 -3.146 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.541 -3.108 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.478 -4.388 4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.723 -5.256 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.562 -4.545 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.318 -3.676 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.361 -5.883 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.589 -5.768 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.198 -7.750 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.161 -7.388 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.833 -6.773 2.379 1.00 0.00 H new ATOM 1509 N TYR A 92 12.291 -0.757 1.518 1.00 0.00 N ATOM 1510 CA TYR A 92 12.828 -0.220 0.288 1.00 0.00 C ATOM 1511 C TYR A 92 13.634 1.046 0.550 1.00 0.00 C ATOM 1512 O TYR A 92 14.820 1.099 0.227 1.00 0.00 O ATOM 1513 CB TYR A 92 11.691 0.062 -0.692 1.00 0.00 C ATOM 1514 CG TYR A 92 12.153 0.267 -2.119 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.084 -0.766 -3.044 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.663 1.490 -2.540 1.00 0.00 C ATOM 1517 CE1 TYR A 92 12.511 -0.588 -4.346 1.00 0.00 C ATOM 1518 CE2 TYR A 92 13.089 1.677 -3.840 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.011 0.634 -4.739 1.00 0.00 C ATOM 1520 OH TYR A 92 13.437 0.817 -6.036 1.00 0.00 O ATOM 0 H TYR A 92 11.272 -0.739 1.569 1.00 0.00 H new ATOM 0 HA TYR A 92 13.501 -0.958 -0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.985 -0.768 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.152 0.950 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.690 -1.725 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.727 2.308 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.453 -1.403 -5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.481 2.634 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 92 13.760 1.736 -6.148 1.00 0.00 H new ATOM 1530 N LYS A 93 13.002 2.058 1.147 1.00 0.00 N ATOM 1531 CA LYS A 93 13.673 3.343 1.342 1.00 0.00 C ATOM 1532 C LYS A 93 14.866 3.213 2.286 1.00 0.00 C ATOM 1533 O LYS A 93 15.950 3.702 1.988 1.00 0.00 O ATOM 1534 CB LYS A 93 12.715 4.430 1.853 1.00 0.00 C ATOM 1535 CG LYS A 93 12.018 4.099 3.163 1.00 0.00 C ATOM 1536 CD LYS A 93 11.687 5.354 3.957 1.00 0.00 C ATOM 1537 CE LYS A 93 10.859 6.340 3.149 1.00 0.00 C ATOM 1538 NZ LYS A 93 10.644 7.611 3.887 1.00 0.00 N ATOM 0 H LYS A 93 12.045 2.015 1.498 1.00 0.00 H new ATOM 0 HA LYS A 93 14.034 3.650 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.274 5.357 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.958 4.615 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.101 3.546 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.656 3.448 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.142 5.078 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.612 5.834 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.361 6.548 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.895 5.893 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.979 8.211 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.251 7.404 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.551 8.109 3.993 1.00 0.00 H new ATOM 1552 N THR A 94 14.675 2.535 3.410 1.00 0.00 N ATOM 1553 CA THR A 94 15.733 2.410 4.395 1.00 0.00 C ATOM 1554 C THR A 94 16.880 1.551 3.858 1.00 0.00 C ATOM 1555 O THR A 94 18.048 1.832 4.126 1.00 0.00 O ATOM 1556 CB THR A 94 15.189 1.859 5.735 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.321 2.835 6.329 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.315 1.521 6.705 1.00 0.00 C ATOM 0 H THR A 94 13.803 2.068 3.658 1.00 0.00 H new ATOM 0 HA THR A 94 16.130 3.406 4.591 1.00 0.00 H new ATOM 0 HB THR A 94 14.641 0.940 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.973 2.490 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.892 1.137 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.963 0.765 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.896 2.419 6.915 1.00 0.00 H new ATOM 1566 N ARG A 95 16.562 0.530 3.065 1.00 0.00 N ATOM 1567 CA ARG A 95 17.607 -0.260 2.428 1.00 0.00 C ATOM 1568 C ARG A 95 18.352 0.581 1.394 1.00 0.00 C ATOM 1569 O ARG A 95 19.567 0.734 1.471 1.00 0.00 O ATOM 1570 CB ARG A 95 17.024 -1.506 1.761 1.00 0.00 C ATOM 1571 CG ARG A 95 18.067 -2.421 1.144 1.00 0.00 C ATOM 1572 CD ARG A 95 17.418 -3.607 0.454 1.00 0.00 C ATOM 1573 NE ARG A 95 18.404 -4.530 -0.104 1.00 0.00 N ATOM 1574 CZ ARG A 95 18.485 -4.848 -1.397 1.00 0.00 C ATOM 1575 NH1 ARG A 95 17.690 -4.263 -2.285 1.00 0.00 N ATOM 1576 NH2 ARG A 95 19.377 -5.739 -1.805 1.00 0.00 N ATOM 0 H ARG A 95 15.609 0.236 2.852 1.00 0.00 H new ATOM 0 HA ARG A 95 18.306 -0.578 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.454 -2.068 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.323 -1.196 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.666 -1.862 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.748 -2.775 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.788 -4.139 1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.766 -3.249 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 95 19.073 -4.958 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.011 -3.565 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.758 -4.511 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.001 -6.181 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.439 -5.982 -2.794 1.00 0.00 H new ATOM 1590 N ILE A 96 17.616 1.158 0.451 1.00 0.00 N ATOM 1591 CA ILE A 96 18.237 1.875 -0.656 1.00 0.00 C ATOM 1592 C ILE A 96 18.973 3.130 -0.174 1.00 0.00 C ATOM 1593 O ILE A 96 19.946 3.554 -0.791 1.00 0.00 O ATOM 1594 CB ILE A 96 17.206 2.251 -1.756 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.918 2.663 -3.047 1.00 0.00 C ATOM 1596 CG2 ILE A 96 16.284 3.370 -1.290 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.738 1.554 -3.672 1.00 0.00 C ATOM 0 H ILE A 96 16.596 1.144 0.430 1.00 0.00 H new ATOM 0 HA ILE A 96 18.966 1.194 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 96 16.599 1.367 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.175 3.004 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.570 3.511 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.574 3.610 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.741 3.048 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.876 4.254 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 96 19.212 1.921 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 96 19.505 1.228 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 96 18.088 0.713 -3.915 1.00 0.00 H new ATOM 1609 N ASN A 97 18.525 3.716 0.931 1.00 0.00 N ATOM 1610 CA ASN A 97 19.170 4.918 1.454 1.00 0.00 C ATOM 1611 C ASN A 97 20.306 4.582 2.418 1.00 0.00 C ATOM 1612 O ASN A 97 21.437 5.026 2.228 1.00 0.00 O ATOM 1613 CB ASN A 97 18.155 5.835 2.148 1.00 0.00 C ATOM 1614 CG ASN A 97 17.192 6.506 1.180 1.00 0.00 C ATOM 1615 OD1 ASN A 97 16.031 6.753 1.512 1.00 0.00 O ATOM 1616 ND2 ASN A 97 17.667 6.825 -0.018 1.00 0.00 N ATOM 0 H ASN A 97 17.729 3.385 1.477 1.00 0.00 H new ATOM 0 HA ASN A 97 19.594 5.443 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.585 5.253 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.691 6.602 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.065 7.290 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.634 6.605 -0.258 1.00 0.00 H new ATOM 1623 N ARG A 98 20.018 3.783 3.436 1.00 0.00 N ATOM 1624 CA ARG A 98 20.980 3.553 4.510 1.00 0.00 C ATOM 1625 C ARG A 98 22.071 2.568 4.094 1.00 0.00 C ATOM 1626 O ARG A 98 23.219 2.686 4.525 1.00 0.00 O ATOM 1627 CB ARG A 98 20.270 3.046 5.767 1.00 0.00 C ATOM 1628 CG ARG A 98 21.118 3.104 7.034 1.00 0.00 C ATOM 1629 CD ARG A 98 21.342 4.535 7.512 1.00 0.00 C ATOM 1630 NE ARG A 98 22.295 5.272 6.680 1.00 0.00 N ATOM 1631 CZ ARG A 98 21.977 6.332 5.932 1.00 0.00 C ATOM 1632 NH1 ARG A 98 20.716 6.751 5.857 1.00 0.00 N ATOM 1633 NH2 ARG A 98 22.923 6.969 5.253 1.00 0.00 N ATOM 0 H ARG A 98 19.134 3.286 3.543 1.00 0.00 H new ATOM 0 HA ARG A 98 21.457 4.509 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.366 3.635 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 98 19.955 2.016 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.630 2.532 7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 98 22.082 2.630 6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.389 5.064 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.704 4.517 8.540 1.00 0.00 H new ATOM 0 HE ARG A 98 23.265 4.955 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.985 6.262 6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.481 7.561 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 98 23.890 6.649 5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.683 7.779 4.681 1.00 0.00 H new ATOM 1647 N LYS A 99 21.720 1.599 3.258 1.00 0.00 N ATOM 1648 CA LYS A 99 22.675 0.574 2.855 1.00 0.00 C ATOM 1649 C LYS A 99 23.592 1.097 1.753 1.00 0.00 C ATOM 1650 O LYS A 99 24.732 0.655 1.618 1.00 0.00 O ATOM 1651 CB LYS A 99 21.945 -0.694 2.394 1.00 0.00 C ATOM 1652 CG LYS A 99 22.855 -1.901 2.203 1.00 0.00 C ATOM 1653 CD LYS A 99 23.559 -2.290 3.495 1.00 0.00 C ATOM 1654 CE LYS A 99 22.577 -2.707 4.579 1.00 0.00 C ATOM 1655 NZ LYS A 99 23.261 -2.952 5.875 1.00 0.00 N ATOM 0 H LYS A 99 20.791 1.501 2.849 1.00 0.00 H new ATOM 0 HA LYS A 99 23.289 0.320 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 99 21.176 -0.944 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 99 21.434 -0.485 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 99 22.268 -2.745 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.598 -1.678 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 99 24.250 -3.109 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 99 24.155 -1.449 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.824 -1.930 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.053 -3.611 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.560 -3.234 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.962 -3.711 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 23.740 -2.082 6.185 1.00 0.00 H new ATOM 1669 N SER A 100 23.106 2.071 0.993 1.00 0.00 N ATOM 1670 CA SER A 100 23.894 2.656 -0.084 1.00 0.00 C ATOM 1671 C SER A 100 24.789 3.777 0.439 1.00 0.00 C ATOM 1672 O SER A 100 25.132 4.709 -0.291 1.00 0.00 O ATOM 1673 CB SER A 100 22.980 3.180 -1.191 1.00 0.00 C ATOM 1674 OG SER A 100 22.104 2.163 -1.653 1.00 0.00 O ATOM 0 H SER A 100 22.174 2.471 1.102 1.00 0.00 H new ATOM 0 HA SER A 100 24.533 1.875 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.399 4.024 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.583 3.550 -2.020 1.00 0.00 H new ATOM 0 HG SER A 100 21.177 2.416 -1.458 1.00 0.00 H new ATOM 1680 N ARG A 101 25.169 3.680 1.709 1.00 0.00 N ATOM 1681 CA ARG A 101 26.110 4.621 2.298 1.00 0.00 C ATOM 1682 C ARG A 101 27.506 4.348 1.746 1.00 0.00 C ATOM 1683 O ARG A 101 28.392 5.204 1.779 1.00 0.00 O ATOM 1684 CB ARG A 101 26.105 4.503 3.827 1.00 0.00 C ATOM 1685 CG ARG A 101 26.590 3.155 4.339 1.00 0.00 C ATOM 1686 CD ARG A 101 26.571 3.087 5.858 1.00 0.00 C ATOM 1687 NE ARG A 101 27.208 1.869 6.358 1.00 0.00 N ATOM 1688 CZ ARG A 101 27.160 1.463 7.629 1.00 0.00 C ATOM 1689 NH1 ARG A 101 26.468 2.154 8.529 1.00 0.00 N ATOM 1690 NH2 ARG A 101 27.801 0.359 7.997 1.00 0.00 N ATOM 0 H ARG A 101 24.838 2.958 2.349 1.00 0.00 H new ATOM 0 HA ARG A 101 25.812 5.637 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 101 26.735 5.288 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 101 25.093 4.678 4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 101 25.960 2.364 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 101 27.603 2.973 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 101 27.083 3.958 6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 101 25.540 3.128 6.210 1.00 0.00 H new ATOM 0 HE ARG A 101 27.722 1.292 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 101 25.970 2.999 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 101 26.435 1.839 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 101 28.329 -0.177 7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 101 27.765 0.048 8.968 1.00 0.00 H new ATOM 1704 N ASP A 102 27.675 3.139 1.224 1.00 0.00 N ATOM 1705 CA ASP A 102 28.915 2.716 0.596 1.00 0.00 C ATOM 1706 C ASP A 102 28.599 1.691 -0.487 1.00 0.00 C ATOM 1707 O ASP A 102 27.441 1.541 -0.875 1.00 0.00 O ATOM 1708 CB ASP A 102 29.890 2.136 1.631 1.00 0.00 C ATOM 1709 CG ASP A 102 29.360 0.894 2.317 1.00 0.00 C ATOM 1710 OD1 ASP A 102 29.659 -0.220 1.850 1.00 0.00 O ATOM 1711 OD2 ASP A 102 28.654 1.029 3.337 1.00 0.00 O ATOM 0 H ASP A 102 26.949 2.422 1.226 1.00 0.00 H new ATOM 0 HA ASP A 102 29.401 3.581 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 102 30.833 1.898 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 102 30.106 2.895 2.383 1.00 0.00 H new ATOM 1716 N ARG A 103 29.612 0.981 -0.963 1.00 0.00 N ATOM 1717 CA ARG A 103 29.434 0.054 -2.078 1.00 0.00 C ATOM 1718 C ARG A 103 28.967 -1.323 -1.611 1.00 0.00 C ATOM 1719 O ARG A 103 28.870 -2.258 -2.407 1.00 0.00 O ATOM 1720 CB ARG A 103 30.738 -0.069 -2.865 1.00 0.00 C ATOM 1721 CG ARG A 103 31.161 1.231 -3.529 1.00 0.00 C ATOM 1722 CD ARG A 103 30.139 1.685 -4.559 1.00 0.00 C ATOM 1723 NE ARG A 103 30.020 0.729 -5.658 1.00 0.00 N ATOM 1724 CZ ARG A 103 28.869 0.213 -6.092 1.00 0.00 C ATOM 1725 NH1 ARG A 103 27.721 0.517 -5.493 1.00 0.00 N ATOM 1726 NH2 ARG A 103 28.874 -0.623 -7.120 1.00 0.00 N ATOM 0 H ARG A 103 30.563 1.027 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 103 28.654 0.459 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.530 -0.401 -2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 103 30.623 -0.839 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.285 2.005 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.130 1.097 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 103 29.169 1.810 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 103 30.428 2.659 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 103 30.877 0.436 -6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 103 27.715 1.150 -4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 103 26.847 0.117 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 103 29.754 -0.868 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 103 27.998 -1.022 -7.457 1.00 0.00 H new ATOM 1740 N GLY A 104 28.669 -1.442 -0.325 1.00 0.00 N ATOM 1741 CA GLY A 104 28.181 -2.695 0.219 1.00 0.00 C ATOM 1742 C GLY A 104 26.706 -2.911 -0.057 1.00 0.00 C ATOM 1743 O GLY A 104 26.113 -3.878 0.420 1.00 0.00 O ATOM 0 H GLY A 104 28.757 -0.688 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 104 28.752 -3.520 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 104 28.352 -2.712 1.295 1.00 0.00 H new ATOM 1747 N ASP A 105 26.114 -2.012 -0.838 1.00 0.00 N ATOM 1748 CA ASP A 105 24.701 -2.108 -1.187 1.00 0.00 C ATOM 1749 C ASP A 105 24.465 -3.266 -2.145 1.00 0.00 C ATOM 1750 O ASP A 105 23.342 -3.747 -2.288 1.00 0.00 O ATOM 1751 CB ASP A 105 24.200 -0.799 -1.811 1.00 0.00 C ATOM 1752 CG ASP A 105 24.802 -0.513 -3.176 1.00 0.00 C ATOM 1753 OD1 ASP A 105 24.151 -0.831 -4.197 1.00 0.00 O ATOM 1754 OD2 ASP A 105 25.914 0.048 -3.238 1.00 0.00 O ATOM 0 H ASP A 105 26.593 -1.207 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 105 24.141 -2.290 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 105 23.115 -0.841 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.432 0.027 -1.139 1.00 0.00 H new ATOM 1759 N GLN A 106 25.532 -3.717 -2.787 1.00 0.00 N ATOM 1760 CA GLN A 106 25.450 -4.838 -3.706 1.00 0.00 C ATOM 1761 C GLN A 106 25.312 -6.149 -2.944 1.00 0.00 C ATOM 1762 O GLN A 106 24.319 -6.863 -3.094 1.00 0.00 O ATOM 1763 CB GLN A 106 26.685 -4.888 -4.603 1.00 0.00 C ATOM 1764 CG GLN A 106 26.824 -3.689 -5.525 1.00 0.00 C ATOM 1765 CD GLN A 106 28.084 -3.744 -6.366 1.00 0.00 C ATOM 1766 OE1 GLN A 106 28.106 -3.261 -7.499 1.00 0.00 O ATOM 1767 NE2 GLN A 106 29.144 -4.317 -5.816 1.00 0.00 N ATOM 0 H GLN A 106 26.467 -3.321 -2.687 1.00 0.00 H new ATOM 0 HA GLN A 106 24.566 -4.699 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 106 27.574 -4.958 -3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.648 -5.795 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 106 25.955 -3.637 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 106 26.828 -2.776 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 106 29.083 -4.705 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 106 30.021 -4.370 -6.334 1.00 0.00 H new ATOM 1776 N GLU A 107 26.302 -6.458 -2.117 1.00 0.00 N ATOM 1777 CA GLU A 107 26.301 -7.712 -1.386 1.00 0.00 C ATOM 1778 C GLU A 107 27.116 -7.626 -0.096 1.00 0.00 C ATOM 1779 O GLU A 107 28.318 -7.896 -0.077 1.00 0.00 O ATOM 1780 CB GLU A 107 26.813 -8.843 -2.280 1.00 0.00 C ATOM 1781 CG GLU A 107 28.057 -8.490 -3.076 1.00 0.00 C ATOM 1782 CD GLU A 107 28.473 -9.604 -4.009 1.00 0.00 C ATOM 1783 OE1 GLU A 107 29.334 -10.416 -3.620 1.00 0.00 O ATOM 1784 OE2 GLU A 107 27.935 -9.675 -5.137 1.00 0.00 O ATOM 0 H GLU A 107 27.109 -5.861 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 107 25.272 -7.926 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 107 27.027 -9.713 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.022 -9.131 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.872 -7.585 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 107 28.875 -8.269 -2.390 1.00 0.00 H new ATOM 1791 N VAL A 108 26.452 -7.237 0.983 1.00 0.00 N ATOM 1792 CA VAL A 108 27.072 -7.238 2.302 1.00 0.00 C ATOM 1793 C VAL A 108 26.303 -8.184 3.221 1.00 0.00 C ATOM 1794 O VAL A 108 26.592 -8.319 4.413 1.00 0.00 O ATOM 1795 CB VAL A 108 27.123 -5.815 2.910 1.00 0.00 C ATOM 1796 CG1 VAL A 108 25.740 -5.346 3.336 1.00 0.00 C ATOM 1797 CG2 VAL A 108 28.104 -5.752 4.073 1.00 0.00 C ATOM 0 H VAL A 108 25.484 -6.916 0.972 1.00 0.00 H new ATOM 0 HA VAL A 108 28.101 -7.583 2.199 1.00 0.00 H new ATOM 0 HB VAL A 108 27.478 -5.137 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 108 25.810 -4.344 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 108 25.079 -5.329 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 108 25.339 -6.029 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 108 28.120 -4.741 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 108 27.794 -6.452 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 108 29.101 -6.017 3.722 1.00 0.00 H new ATOM 1807 N PHE A 109 25.324 -8.848 2.637 1.00 0.00 N ATOM 1808 CA PHE A 109 24.491 -9.792 3.361 1.00 0.00 C ATOM 1809 C PHE A 109 25.109 -11.183 3.297 1.00 0.00 C ATOM 1810 O PHE A 109 25.414 -11.685 2.215 1.00 0.00 O ATOM 1811 CB PHE A 109 23.077 -9.807 2.771 1.00 0.00 C ATOM 1812 CG PHE A 109 22.113 -10.691 3.511 1.00 0.00 C ATOM 1813 CD1 PHE A 109 21.548 -10.273 4.704 1.00 0.00 C ATOM 1814 CD2 PHE A 109 21.767 -11.935 3.009 1.00 0.00 C ATOM 1815 CE1 PHE A 109 20.657 -11.079 5.384 1.00 0.00 C ATOM 1816 CE2 PHE A 109 20.876 -12.746 3.685 1.00 0.00 C ATOM 1817 CZ PHE A 109 20.320 -12.316 4.874 1.00 0.00 C ATOM 0 H PHE A 109 25.083 -8.750 1.651 1.00 0.00 H new ATOM 0 HA PHE A 109 24.427 -9.484 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 109 22.687 -8.789 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 109 23.131 -10.136 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 109 21.807 -9.305 5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 109 22.199 -12.275 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 109 20.224 -10.742 6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 109 20.615 -13.714 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 109 19.622 -12.947 5.404 1.00 0.00 H new ATOM 1827 N VAL A 110 25.299 -11.791 4.458 1.00 0.00 N ATOM 1828 CA VAL A 110 25.897 -13.114 4.541 1.00 0.00 C ATOM 1829 C VAL A 110 24.840 -14.205 4.370 1.00 0.00 C ATOM 1830 O VAL A 110 24.034 -14.417 5.300 1.00 0.00 O ATOM 1831 CB VAL A 110 26.669 -13.314 5.868 1.00 0.00 C ATOM 1832 CG1 VAL A 110 27.986 -12.555 5.833 1.00 0.00 C ATOM 1833 CG2 VAL A 110 25.841 -12.864 7.066 1.00 0.00 C ATOM 1834 OXT VAL A 110 24.822 -14.848 3.302 1.00 0.00 O ATOM 0 H VAL A 110 25.046 -11.387 5.360 1.00 0.00 H new ATOM 0 HA VAL A 110 26.614 -13.193 3.724 1.00 0.00 H new ATOM 0 HB VAL A 110 26.872 -14.379 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 110 28.518 -12.705 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.596 -12.923 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 110 27.790 -11.492 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 110 26.412 -13.018 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 110 25.598 -11.806 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 110 24.920 -13.445 7.111 1.00 0.00 H new TER 1844 VAL A 110