USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 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 MET CE :methyl -176:sc= 0 (180deg=-0.0278) USER MOD Set 1.2: A 95 THR OG1 : rot 173:sc= 0.879 USER MOD Set 2.1: A 66 ASN : amide:sc= 1.84 K(o=3.1,f=-6.1) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 152:sc= 1.28 (180deg=-0.12) USER MOD Set 3.1: A 37 GLN : amide:sc= 1.82 K(o=2.2,f=-3.1) USER MOD Set 3.2: A 72 HIS : no HE2:sc= -0.907! C(o=2.2!,f=-9.6!) USER MOD Set 3.3: B 3 THR OG1 : rot -105:sc= 1.24 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 176:sc= 1.83 (180deg=1.8) USER MOD Set 4.2: A 24 TYR OH : rot -164:sc= 0.131 USER MOD Single : A 9 THR OG1 : rot -117:sc= 0.693 USER MOD Single : A 15 CYS SG : rot -70:sc= 1.06 USER MOD Single : A 16 CYS SG : rot 41:sc= 0.0105 USER MOD Single : A 22 ASN : amide:sc=-0.00446 X(o=-0.0045,f=-0.2) USER MOD Single : A 27 HIS : no HE2:sc= -3.12! C(o=-3.1!,f=-12!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=-0.024) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc=-0.00941 (180deg=-0.213) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -60:sc= 1.19 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.06) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.32 F(o=-2.4,f=-0.32) USER MOD Single : A 71 THR OG1 : rot 171:sc= -1.08 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.329 K(o=-0.33,f=-1) USER MOD Single : A 77 SER OG : rot 82:sc= 1.2 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 98 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.15) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.233 F(o=-0.8,f=-0.23) USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= -0.117 (180deg=-0.507) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : B 1 GLN : amide:sc= 1.24 K(o=1.2,f=-0.99) USER MOD Single : B 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -21.875 -20.666 0.487 1.00 0.00 N ATOM 2 CA GLY A 4 -22.464 -19.397 0.971 1.00 0.00 C ATOM 3 C GLY A 4 -21.436 -18.293 1.034 1.00 0.00 C ATOM 4 O GLY A 4 -20.384 -18.401 0.400 1.00 0.00 O ATOM 0 HA2 GLY A 4 -23.279 -19.099 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.895 -19.550 1.960 1.00 0.00 H new ATOM 10 N ILE A 5 -21.743 -17.248 1.815 1.00 0.00 N ATOM 11 CA ILE A 5 -20.896 -16.052 1.975 1.00 0.00 C ATOM 12 C ILE A 5 -20.353 -15.517 0.643 1.00 0.00 C ATOM 13 O ILE A 5 -20.820 -15.885 -0.438 1.00 0.00 O ATOM 14 CB ILE A 5 -19.744 -16.265 3.011 1.00 0.00 C ATOM 15 CG1 ILE A 5 -18.841 -17.465 2.684 1.00 0.00 C ATOM 16 CG2 ILE A 5 -20.327 -16.426 4.407 1.00 0.00 C ATOM 17 CD1 ILE A 5 -17.722 -17.155 1.711 1.00 0.00 C ATOM 0 H ILE A 5 -22.602 -17.207 2.364 1.00 0.00 H new ATOM 0 HA ILE A 5 -21.557 -15.285 2.377 1.00 0.00 H new ATOM 0 HB ILE A 5 -19.114 -15.377 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -18.407 -17.842 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -19.455 -18.265 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -19.519 -16.574 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -20.888 -15.530 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -20.992 -17.289 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -17.133 -18.055 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -18.145 -16.808 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -17.081 -16.378 2.129 1.00 0.00 H new ATOM 29 N ASP A 6 -19.406 -14.599 0.724 1.00 0.00 N ATOM 30 CA ASP A 6 -18.812 -14.011 -0.464 1.00 0.00 C ATOM 31 C ASP A 6 -17.301 -13.957 -0.316 1.00 0.00 C ATOM 32 O ASP A 6 -16.789 -13.560 0.736 1.00 0.00 O ATOM 33 CB ASP A 6 -19.374 -12.604 -0.696 1.00 0.00 C ATOM 34 CG ASP A 6 -18.919 -11.992 -2.007 1.00 0.00 C ATOM 35 OD1 ASP A 6 -19.302 -12.525 -3.075 1.00 0.00 O ATOM 36 OD2 ASP A 6 -18.213 -10.965 -1.977 1.00 0.00 O ATOM 0 H ASP A 6 -19.031 -14.244 1.603 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.059 -14.630 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -20.463 -12.647 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -19.068 -11.957 0.126 1.00 0.00 H new ATOM 41 N PRO A 7 -16.576 -14.409 -1.350 1.00 0.00 N ATOM 42 CA PRO A 7 -15.113 -14.329 -1.404 1.00 0.00 C ATOM 43 C PRO A 7 -14.634 -12.898 -1.273 1.00 0.00 C ATOM 44 O PRO A 7 -15.436 -11.967 -1.283 1.00 0.00 O ATOM 45 CB PRO A 7 -14.773 -14.870 -2.796 1.00 0.00 C ATOM 46 CG PRO A 7 -15.936 -15.714 -3.161 1.00 0.00 C ATOM 47 CD PRO A 7 -17.131 -15.039 -2.556 1.00 0.00 C ATOM 0 HA PRO A 7 -14.639 -14.883 -0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.630 -14.061 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.850 -15.450 -2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.038 -15.794 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.821 -16.727 -2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.565 -14.303 -3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.918 -15.753 -2.313 1.00 0.00 H new ATOM 55 N PHE A 8 -13.333 -12.708 -1.163 1.00 0.00 N ATOM 56 CA PHE A 8 -12.814 -11.364 -1.013 1.00 0.00 C ATOM 57 C PHE A 8 -12.884 -10.618 -2.342 1.00 0.00 C ATOM 58 O PHE A 8 -11.989 -10.685 -3.187 1.00 0.00 O ATOM 59 CB PHE A 8 -11.414 -11.332 -0.375 1.00 0.00 C ATOM 60 CG PHE A 8 -10.373 -12.205 -1.012 1.00 0.00 C ATOM 61 CD1 PHE A 8 -10.240 -13.535 -0.650 1.00 0.00 C ATOM 62 CD2 PHE A 8 -9.507 -11.683 -1.948 1.00 0.00 C ATOM 63 CE1 PHE A 8 -9.264 -14.326 -1.223 1.00 0.00 C ATOM 64 CE2 PHE A 8 -8.529 -12.462 -2.522 1.00 0.00 C ATOM 65 CZ PHE A 8 -8.404 -13.788 -2.161 1.00 0.00 C ATOM 0 H PHE A 8 -12.631 -13.448 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.453 -10.836 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.054 -10.303 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -11.508 -11.620 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.906 -13.958 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.597 -10.646 -2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.173 -15.364 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.860 -12.036 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.637 -14.402 -2.610 1.00 0.00 H new ATOM 75 N THR A 9 -14.003 -9.934 -2.509 1.00 0.00 N ATOM 76 CA THR A 9 -14.338 -9.237 -3.729 1.00 0.00 C ATOM 77 C THR A 9 -13.585 -7.924 -3.877 1.00 0.00 C ATOM 78 O THR A 9 -13.106 -7.358 -2.891 1.00 0.00 O ATOM 79 CB THR A 9 -15.845 -8.942 -3.757 1.00 0.00 C ATOM 80 OG1 THR A 9 -16.354 -8.879 -2.415 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.600 -9.998 -4.532 1.00 0.00 C ATOM 0 H THR A 9 -14.715 -9.849 -1.783 1.00 0.00 H new ATOM 0 HA THR A 9 -14.050 -9.887 -4.556 1.00 0.00 H new ATOM 0 HB THR A 9 -15.989 -7.983 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.009 -9.595 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.663 -9.759 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.235 -10.027 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.447 -10.971 -4.065 1.00 0.00 H new ATOM 89 N MET A 10 -13.455 -7.482 -5.130 1.00 0.00 N ATOM 90 CA MET A 10 -12.993 -6.132 -5.465 1.00 0.00 C ATOM 91 C MET A 10 -11.492 -5.967 -5.267 1.00 0.00 C ATOM 92 O MET A 10 -10.783 -5.608 -6.207 1.00 0.00 O ATOM 93 CB MET A 10 -13.734 -5.080 -4.636 1.00 0.00 C ATOM 94 CG MET A 10 -13.343 -3.656 -4.984 1.00 0.00 C ATOM 95 SD MET A 10 -13.858 -3.182 -6.647 1.00 0.00 S ATOM 96 CE MET A 10 -13.325 -1.472 -6.677 1.00 0.00 C ATOM 0 H MET A 10 -13.669 -8.054 -5.947 1.00 0.00 H new ATOM 0 HA MET A 10 -13.212 -5.985 -6.523 1.00 0.00 H new ATOM 0 HB2 MET A 10 -14.807 -5.201 -4.784 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.536 -5.255 -3.579 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.790 -2.973 -4.261 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.262 -3.549 -4.898 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.634 -1.011 -7.615 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.777 -0.935 -5.843 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.239 -1.428 -6.592 1.00 0.00 H new ATOM 106 N LEU A 11 -11.025 -6.238 -4.051 1.00 0.00 N ATOM 107 CA LEU A 11 -9.651 -5.946 -3.652 1.00 0.00 C ATOM 108 C LEU A 11 -9.462 -4.433 -3.595 1.00 0.00 C ATOM 109 O LEU A 11 -9.280 -3.782 -4.628 1.00 0.00 O ATOM 110 CB LEU A 11 -8.644 -6.591 -4.612 1.00 0.00 C ATOM 111 CG LEU A 11 -8.793 -8.104 -4.768 1.00 0.00 C ATOM 112 CD1 LEU A 11 -7.887 -8.628 -5.869 1.00 0.00 C ATOM 113 CD2 LEU A 11 -8.493 -8.801 -3.455 1.00 0.00 C ATOM 0 H LEU A 11 -11.588 -6.666 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.467 -6.371 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.747 -6.126 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.636 -6.373 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.824 -8.318 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.012 -9.707 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.149 -8.151 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.849 -8.402 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.603 -9.878 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.472 -8.574 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.188 -8.452 -2.691 1.00 0.00 H new ATOM 125 N PRO A 12 -9.540 -3.858 -2.383 1.00 0.00 N ATOM 126 CA PRO A 12 -9.489 -2.408 -2.178 1.00 0.00 C ATOM 127 C PRO A 12 -8.279 -1.773 -2.844 1.00 0.00 C ATOM 128 O PRO A 12 -7.155 -2.258 -2.713 1.00 0.00 O ATOM 129 CB PRO A 12 -9.414 -2.242 -0.654 1.00 0.00 C ATOM 130 CG PRO A 12 -9.106 -3.597 -0.119 1.00 0.00 C ATOM 131 CD PRO A 12 -9.662 -4.576 -1.110 1.00 0.00 C ATOM 0 HA PRO A 12 -10.353 -1.913 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.641 -1.525 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.356 -1.867 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.031 -3.733 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.557 -3.739 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.098 -5.509 -1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.698 -4.832 -0.888 1.00 0.00 H new ATOM 139 N ARG A 13 -8.517 -0.687 -3.557 1.00 0.00 N ATOM 140 CA ARG A 13 -7.467 -0.040 -4.316 1.00 0.00 C ATOM 141 C ARG A 13 -6.704 0.950 -3.448 1.00 0.00 C ATOM 142 O ARG A 13 -7.295 1.808 -2.791 1.00 0.00 O ATOM 143 CB ARG A 13 -8.059 0.655 -5.549 1.00 0.00 C ATOM 144 CG ARG A 13 -9.256 1.547 -5.239 1.00 0.00 C ATOM 145 CD ARG A 13 -9.935 2.042 -6.509 1.00 0.00 C ATOM 146 NE ARG A 13 -11.166 2.779 -6.225 1.00 0.00 N ATOM 147 CZ ARG A 13 -12.345 2.513 -6.787 1.00 0.00 C ATOM 148 NH1 ARG A 13 -12.469 1.525 -7.666 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.403 3.236 -6.462 1.00 0.00 N ATOM 0 H ARG A 13 -9.429 -0.236 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.762 -0.800 -4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.283 1.256 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.361 -0.103 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.975 0.994 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.929 2.400 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.248 2.684 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.162 1.192 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.119 3.546 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.657 0.961 -7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.376 1.330 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.315 3.993 -5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.308 3.037 -6.889 1.00 0.00 H new ATOM 163 N LEU A 14 -5.389 0.809 -3.440 1.00 0.00 N ATOM 164 CA LEU A 14 -4.528 1.746 -2.744 1.00 0.00 C ATOM 165 C LEU A 14 -4.082 2.805 -3.731 1.00 0.00 C ATOM 166 O LEU A 14 -3.411 2.500 -4.720 1.00 0.00 O ATOM 167 CB LEU A 14 -3.323 1.016 -2.128 1.00 0.00 C ATOM 168 CG LEU A 14 -2.446 1.841 -1.168 1.00 0.00 C ATOM 169 CD1 LEU A 14 -1.627 0.918 -0.278 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.513 2.780 -1.927 1.00 0.00 C ATOM 0 H LEU A 14 -4.894 0.051 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.071 2.218 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.690 0.142 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.693 0.650 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.112 2.446 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.012 1.514 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.297 0.287 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.985 0.291 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.910 3.346 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.859 2.197 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.103 3.469 -2.532 1.00 0.00 H new ATOM 182 N CYS A 15 -4.468 4.035 -3.479 1.00 0.00 N ATOM 183 CA CYS A 15 -4.159 5.114 -4.388 1.00 0.00 C ATOM 184 C CYS A 15 -3.045 5.981 -3.825 1.00 0.00 C ATOM 185 O CYS A 15 -3.232 6.692 -2.839 1.00 0.00 O ATOM 186 CB CYS A 15 -5.417 5.940 -4.661 1.00 0.00 C ATOM 187 SG CYS A 15 -6.764 4.983 -5.399 1.00 0.00 S ATOM 0 H CYS A 15 -4.996 4.313 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.810 4.696 -5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.764 6.379 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.163 6.766 -5.325 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.454 4.668 -6.622 1.00 0.00 H new ATOM 193 N CYS A 16 -1.877 5.891 -4.438 1.00 0.00 N ATOM 194 CA CYS A 16 -0.766 6.738 -4.063 1.00 0.00 C ATOM 195 C CYS A 16 -0.876 8.067 -4.793 1.00 0.00 C ATOM 196 O CYS A 16 -0.659 8.146 -6.004 1.00 0.00 O ATOM 197 CB CYS A 16 0.559 6.041 -4.386 1.00 0.00 C ATOM 198 SG CYS A 16 0.659 5.413 -6.077 1.00 0.00 S ATOM 0 H CYS A 16 -1.677 5.239 -5.197 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.794 6.926 -2.990 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.377 6.741 -4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.702 5.213 -3.692 1.00 0.00 H new ATOM 0 HG CYS A 16 0.137 6.280 -6.893 1.00 0.00 H new ATOM 204 N LEU A 17 -1.242 9.101 -4.056 1.00 0.00 N ATOM 205 CA LEU A 17 -1.438 10.413 -4.641 1.00 0.00 C ATOM 206 C LEU A 17 -0.134 11.185 -4.690 1.00 0.00 C ATOM 207 O LEU A 17 0.581 11.282 -3.692 1.00 0.00 O ATOM 208 CB LEU A 17 -2.498 11.205 -3.873 1.00 0.00 C ATOM 209 CG LEU A 17 -3.938 10.998 -4.347 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.049 11.292 -5.825 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.423 9.588 -4.051 1.00 0.00 C ATOM 0 H LEU A 17 -1.409 9.056 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.792 10.270 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.437 10.935 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.258 12.266 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.575 11.691 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.078 11.141 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.757 12.325 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.392 10.622 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.449 9.475 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.784 8.868 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.384 9.408 -2.977 1.00 0.00 H new ATOM 223 N GLU A 18 0.164 11.720 -5.863 1.00 0.00 N ATOM 224 CA GLU A 18 1.394 12.456 -6.087 1.00 0.00 C ATOM 225 C GLU A 18 1.160 13.944 -5.866 1.00 0.00 C ATOM 226 O GLU A 18 0.175 14.505 -6.350 1.00 0.00 O ATOM 227 CB GLU A 18 1.894 12.209 -7.514 1.00 0.00 C ATOM 228 CG GLU A 18 1.815 10.747 -7.936 1.00 0.00 C ATOM 229 CD GLU A 18 2.289 10.505 -9.357 1.00 0.00 C ATOM 230 OE1 GLU A 18 1.541 10.823 -10.308 1.00 0.00 O ATOM 231 OE2 GLU A 18 3.409 9.981 -9.526 1.00 0.00 O ATOM 0 H GLU A 18 -0.439 11.656 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 18 2.149 12.111 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.307 12.812 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.927 12.547 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.415 10.146 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.785 10.404 -7.841 1.00 0.00 H new ATOM 238 N LYS A 19 2.046 14.571 -5.107 1.00 0.00 N ATOM 239 CA LYS A 19 1.960 16.000 -4.847 1.00 0.00 C ATOM 240 C LYS A 19 2.199 16.792 -6.126 1.00 0.00 C ATOM 241 O LYS A 19 3.334 16.947 -6.575 1.00 0.00 O ATOM 242 CB LYS A 19 2.966 16.406 -3.763 1.00 0.00 C ATOM 243 CG LYS A 19 2.962 17.891 -3.417 1.00 0.00 C ATOM 244 CD LYS A 19 1.627 18.352 -2.850 1.00 0.00 C ATOM 245 CE LYS A 19 1.152 17.473 -1.703 1.00 0.00 C ATOM 246 NZ LYS A 19 2.160 17.355 -0.613 1.00 0.00 N ATOM 0 H LYS A 19 2.837 14.109 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 19 0.956 16.227 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.756 15.835 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.967 16.126 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.751 18.094 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.193 18.470 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.718 19.381 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.878 18.348 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.228 17.883 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.918 16.479 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.760 16.802 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.009 16.877 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.416 18.304 -0.273 1.00 0.00 H new ATOM 260 N GLY A 20 1.115 17.272 -6.711 1.00 0.00 N ATOM 261 CA GLY A 20 1.209 18.062 -7.921 1.00 0.00 C ATOM 262 C GLY A 20 1.434 19.530 -7.624 1.00 0.00 C ATOM 263 O GLY A 20 2.410 19.881 -6.967 1.00 0.00 O ATOM 0 H GLY A 20 0.165 17.128 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.027 17.687 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.294 17.946 -8.502 1.00 0.00 H new ATOM 267 N PRO A 21 0.529 20.415 -8.078 1.00 0.00 N ATOM 268 CA PRO A 21 0.654 21.862 -7.869 1.00 0.00 C ATOM 269 C PRO A 21 0.813 22.222 -6.390 1.00 0.00 C ATOM 270 O PRO A 21 1.829 22.779 -5.981 1.00 0.00 O ATOM 271 CB PRO A 21 -0.657 22.430 -8.434 1.00 0.00 C ATOM 272 CG PRO A 21 -1.569 21.259 -8.592 1.00 0.00 C ATOM 273 CD PRO A 21 -0.684 20.075 -8.836 1.00 0.00 C ATOM 0 HA PRO A 21 1.542 22.268 -8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.085 23.172 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.489 22.927 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.176 21.114 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.257 21.410 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.138 19.150 -8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.474 19.939 -9.897 1.00 0.00 H new ATOM 281 N ASN A 22 -0.194 21.898 -5.592 1.00 0.00 N ATOM 282 CA ASN A 22 -0.118 22.095 -4.149 1.00 0.00 C ATOM 283 C ASN A 22 -0.951 21.031 -3.450 1.00 0.00 C ATOM 284 O ASN A 22 -1.317 21.167 -2.283 1.00 0.00 O ATOM 285 CB ASN A 22 -0.596 23.500 -3.747 1.00 0.00 C ATOM 286 CG ASN A 22 -2.104 23.681 -3.832 1.00 0.00 C ATOM 287 OD1 ASN A 22 -2.827 23.431 -2.869 1.00 0.00 O ATOM 288 ND2 ASN A 22 -2.587 24.145 -4.971 1.00 0.00 N ATOM 0 H ASN A 22 -1.074 21.498 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 22 0.924 22.004 -3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.271 23.707 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.114 24.236 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.589 24.307 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.958 24.341 -5.749 1.00 0.00 H new ATOM 295 N GLY A 23 -1.203 19.948 -4.169 1.00 0.00 N ATOM 296 CA GLY A 23 -2.116 18.935 -3.696 1.00 0.00 C ATOM 297 C GLY A 23 -2.124 17.724 -4.600 1.00 0.00 C ATOM 298 O GLY A 23 -1.078 17.322 -5.105 1.00 0.00 O ATOM 0 H GLY A 23 -0.786 19.754 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.835 18.634 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.122 19.351 -3.636 1.00 0.00 H new ATOM 302 N TYR A 24 -3.298 17.157 -4.835 1.00 0.00 N ATOM 303 CA TYR A 24 -3.399 15.894 -5.554 1.00 0.00 C ATOM 304 C TYR A 24 -4.455 15.957 -6.656 1.00 0.00 C ATOM 305 O TYR A 24 -4.450 15.142 -7.576 1.00 0.00 O ATOM 306 CB TYR A 24 -3.706 14.766 -4.568 1.00 0.00 C ATOM 307 CG TYR A 24 -2.788 14.793 -3.365 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.447 14.453 -3.487 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.251 15.199 -2.122 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.595 14.516 -2.404 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.405 15.261 -1.032 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.079 14.919 -1.178 1.00 0.00 C ATOM 313 OH TYR A 24 -0.230 14.997 -0.095 1.00 0.00 O ATOM 0 H TYR A 24 -4.192 17.549 -4.540 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.443 15.696 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.741 14.848 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.609 13.806 -5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.065 14.134 -4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.290 15.471 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.446 14.251 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.781 15.576 -0.070 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.756 15.045 0.730 1.00 0.00 H new ATOM 323 N GLY A 25 -5.369 16.915 -6.558 1.00 0.00 N ATOM 324 CA GLY A 25 -6.287 17.171 -7.651 1.00 0.00 C ATOM 325 C GLY A 25 -7.689 16.633 -7.426 1.00 0.00 C ATOM 326 O GLY A 25 -8.387 16.296 -8.383 1.00 0.00 O ATOM 0 H GLY A 25 -5.491 17.517 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.345 18.247 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.882 16.729 -8.562 1.00 0.00 H new ATOM 330 N PHE A 26 -8.112 16.545 -6.179 1.00 0.00 N ATOM 331 CA PHE A 26 -9.489 16.181 -5.882 1.00 0.00 C ATOM 332 C PHE A 26 -9.951 16.925 -4.648 1.00 0.00 C ATOM 333 O PHE A 26 -9.133 17.415 -3.876 1.00 0.00 O ATOM 334 CB PHE A 26 -9.646 14.665 -5.698 1.00 0.00 C ATOM 335 CG PHE A 26 -8.831 14.077 -4.579 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.476 13.830 -4.745 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.425 13.750 -3.371 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.732 13.270 -3.724 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.685 13.192 -2.348 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.338 12.952 -2.526 1.00 0.00 C ATOM 0 H PHE A 26 -7.529 16.718 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.113 16.466 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.698 14.442 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.370 14.170 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.998 14.078 -5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.480 13.934 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.678 13.082 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.159 12.944 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.758 12.515 -1.727 1.00 0.00 H new ATOM 350 N HIS A 27 -11.253 17.037 -4.468 1.00 0.00 N ATOM 351 CA HIS A 27 -11.779 17.727 -3.305 1.00 0.00 C ATOM 352 C HIS A 27 -12.708 16.830 -2.507 1.00 0.00 C ATOM 353 O HIS A 27 -13.558 16.124 -3.064 1.00 0.00 O ATOM 354 CB HIS A 27 -12.451 19.061 -3.667 1.00 0.00 C ATOM 355 CG HIS A 27 -13.428 19.019 -4.801 1.00 0.00 C ATOM 356 ND1 HIS A 27 -14.786 19.061 -4.617 1.00 0.00 N ATOM 357 CD2 HIS A 27 -13.233 19.029 -6.140 1.00 0.00 C ATOM 358 CE1 HIS A 27 -15.390 19.097 -5.786 1.00 0.00 C ATOM 359 NE2 HIS A 27 -14.469 19.080 -6.734 1.00 0.00 N ATOM 0 H HIS A 27 -11.959 16.664 -5.103 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.927 17.973 -2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -12.967 19.436 -2.783 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.672 19.783 -3.912 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -15.257 19.064 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.280 19.002 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.458 19.134 -5.944 1.00 0.00 H new ATOM 368 N LEU A 28 -12.504 16.855 -1.203 1.00 0.00 N ATOM 369 CA LEU A 28 -13.194 15.984 -0.275 1.00 0.00 C ATOM 370 C LEU A 28 -14.339 16.746 0.379 1.00 0.00 C ATOM 371 O LEU A 28 -14.119 17.769 1.031 1.00 0.00 O ATOM 372 CB LEU A 28 -12.186 15.513 0.789 1.00 0.00 C ATOM 373 CG LEU A 28 -12.513 14.216 1.549 1.00 0.00 C ATOM 374 CD1 LEU A 28 -13.792 14.340 2.358 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.604 13.044 0.590 1.00 0.00 C ATOM 0 H LEU A 28 -11.845 17.491 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.606 15.120 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.219 15.384 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.071 16.312 1.521 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.698 14.036 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.986 13.402 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.685 15.144 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.624 14.563 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.836 12.136 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.390 13.232 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.651 12.921 0.075 1.00 0.00 H new ATOM 387 N HIS A 29 -15.555 16.249 0.218 1.00 0.00 N ATOM 388 CA HIS A 29 -16.704 16.857 0.867 1.00 0.00 C ATOM 389 C HIS A 29 -17.189 15.931 1.972 1.00 0.00 C ATOM 390 O HIS A 29 -17.145 14.708 1.826 1.00 0.00 O ATOM 391 CB HIS A 29 -17.825 17.180 -0.145 1.00 0.00 C ATOM 392 CG HIS A 29 -18.839 16.091 -0.364 1.00 0.00 C ATOM 393 ND1 HIS A 29 -20.161 16.217 0.008 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.733 14.870 -0.945 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.819 15.128 -0.332 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.979 14.293 -0.912 1.00 0.00 N ATOM 0 H HIS A 29 -15.771 15.432 -0.353 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.408 17.810 1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.347 18.075 0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.366 17.422 -1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.836 14.433 -1.357 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.871 14.949 -0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.216 13.370 -1.276 1.00 0.00 H new ATOM 405 N GLY A 30 -17.622 16.503 3.079 1.00 0.00 N ATOM 406 CA GLY A 30 -17.997 15.693 4.214 1.00 0.00 C ATOM 407 C GLY A 30 -19.320 16.106 4.811 1.00 0.00 C ATOM 408 O GLY A 30 -19.866 17.149 4.457 1.00 0.00 O ATOM 0 H GLY A 30 -17.721 17.509 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -18.051 14.648 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.221 15.762 4.977 1.00 0.00 H new ATOM 412 N GLU A 31 -19.843 15.274 5.691 1.00 0.00 N ATOM 413 CA GLU A 31 -21.054 15.592 6.430 1.00 0.00 C ATOM 414 C GLU A 31 -20.686 16.133 7.808 1.00 0.00 C ATOM 415 O GLU A 31 -19.565 15.936 8.281 1.00 0.00 O ATOM 416 CB GLU A 31 -21.959 14.361 6.525 1.00 0.00 C ATOM 417 CG GLU A 31 -21.229 13.078 6.880 1.00 0.00 C ATOM 418 CD GLU A 31 -22.126 11.862 6.787 1.00 0.00 C ATOM 419 OE1 GLU A 31 -22.529 11.501 5.662 1.00 0.00 O ATOM 420 OE2 GLU A 31 -22.435 11.260 7.836 1.00 0.00 O ATOM 0 H GLU A 31 -19.444 14.362 5.915 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.612 16.365 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.729 14.547 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.468 14.224 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.377 12.950 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.831 13.157 7.892 1.00 0.00 H new ATOM 427 N LYS A 32 -21.623 16.839 8.432 1.00 0.00 N ATOM 428 CA LYS A 32 -21.346 17.562 9.669 1.00 0.00 C ATOM 429 C LYS A 32 -21.180 16.605 10.850 1.00 0.00 C ATOM 430 O LYS A 32 -22.125 16.355 11.602 1.00 0.00 O ATOM 431 CB LYS A 32 -22.473 18.560 9.953 1.00 0.00 C ATOM 432 CG LYS A 32 -22.126 19.603 11.007 1.00 0.00 C ATOM 433 CD LYS A 32 -21.007 20.519 10.536 1.00 0.00 C ATOM 434 CE LYS A 32 -20.660 21.568 11.580 1.00 0.00 C ATOM 435 NZ LYS A 32 -21.819 22.440 11.911 1.00 0.00 N ATOM 0 H LYS A 32 -22.584 16.926 8.101 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.407 18.102 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.736 19.069 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.357 18.011 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.011 20.196 11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.826 19.105 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.122 19.925 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.306 21.012 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.310 21.074 12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.838 22.183 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.489 23.266 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.275 22.759 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.504 21.905 12.482 1.00 0.00 H new ATOM 449 N GLY A 33 -19.979 16.071 11.000 1.00 0.00 N ATOM 450 CA GLY A 33 -19.687 15.183 12.104 1.00 0.00 C ATOM 451 C GLY A 33 -18.253 14.693 12.067 1.00 0.00 C ATOM 452 O GLY A 33 -17.319 15.494 11.980 1.00 0.00 O ATOM 0 H GLY A 33 -19.194 16.239 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.870 15.701 13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.364 14.329 12.073 1.00 0.00 H new ATOM 456 N LYS A 34 -18.081 13.381 12.120 1.00 0.00 N ATOM 457 CA LYS A 34 -16.761 12.771 12.055 1.00 0.00 C ATOM 458 C LYS A 34 -16.667 11.918 10.802 1.00 0.00 C ATOM 459 O LYS A 34 -15.916 12.218 9.875 1.00 0.00 O ATOM 460 CB LYS A 34 -16.517 11.906 13.291 1.00 0.00 C ATOM 461 CG LYS A 34 -16.574 12.686 14.591 1.00 0.00 C ATOM 462 CD LYS A 34 -16.581 11.766 15.797 1.00 0.00 C ATOM 463 CE LYS A 34 -15.310 10.937 15.884 1.00 0.00 C ATOM 464 NZ LYS A 34 -15.362 9.955 16.997 1.00 0.00 N ATOM 0 H LYS A 34 -18.846 12.713 12.209 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.004 13.554 12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.260 11.109 13.321 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.541 11.428 13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.717 13.357 14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.469 13.309 14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.691 12.359 16.705 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.444 11.103 15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.156 10.410 14.942 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.455 11.598 16.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.476 9.410 17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.484 10.459 17.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.163 9.307 16.851 1.00 0.00 H new ATOM 478 N LEU A 35 -17.479 10.874 10.775 1.00 0.00 N ATOM 479 CA LEU A 35 -17.529 9.965 9.649 1.00 0.00 C ATOM 480 C LEU A 35 -18.309 10.592 8.512 1.00 0.00 C ATOM 481 O LEU A 35 -19.328 11.245 8.739 1.00 0.00 O ATOM 482 CB LEU A 35 -18.180 8.635 10.041 1.00 0.00 C ATOM 483 CG LEU A 35 -17.444 7.831 11.112 1.00 0.00 C ATOM 484 CD1 LEU A 35 -17.791 8.324 12.508 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.759 6.352 10.967 1.00 0.00 C ATOM 0 H LEU A 35 -18.119 10.636 11.532 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.506 9.769 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.192 8.836 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.271 8.018 9.147 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.373 7.975 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.252 7.732 13.247 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.507 9.372 12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.863 8.222 12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.229 5.790 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.832 6.196 11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.443 6.007 9.982 1.00 0.00 H new ATOM 497 N GLY A 36 -17.823 10.396 7.301 1.00 0.00 N ATOM 498 CA GLY A 36 -18.498 10.931 6.138 1.00 0.00 C ATOM 499 C GLY A 36 -17.553 11.643 5.192 1.00 0.00 C ATOM 500 O GLY A 36 -17.834 12.754 4.747 1.00 0.00 O ATOM 0 H GLY A 36 -16.970 9.874 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.996 10.120 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.275 11.625 6.460 1.00 0.00 H new ATOM 504 N GLN A 37 -16.430 11.006 4.887 1.00 0.00 N ATOM 505 CA GLN A 37 -15.472 11.549 3.940 1.00 0.00 C ATOM 506 C GLN A 37 -15.684 10.925 2.567 1.00 0.00 C ATOM 507 O GLN A 37 -15.506 9.719 2.390 1.00 0.00 O ATOM 508 CB GLN A 37 -14.048 11.271 4.430 1.00 0.00 C ATOM 509 CG GLN A 37 -13.476 12.346 5.344 1.00 0.00 C ATOM 510 CD GLN A 37 -14.420 12.779 6.448 1.00 0.00 C ATOM 511 OE1 GLN A 37 -15.185 13.733 6.282 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.364 12.093 7.577 1.00 0.00 N ATOM 0 H GLN A 37 -16.161 10.107 5.286 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.618 12.626 3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.039 10.318 4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.394 11.161 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.554 11.975 5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.211 13.216 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.715 11.311 7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.970 12.345 8.358 1.00 0.00 H new ATOM 521 N TYR A 38 -16.059 11.751 1.602 1.00 0.00 N ATOM 522 CA TYR A 38 -16.344 11.281 0.253 1.00 0.00 C ATOM 523 C TYR A 38 -15.694 12.195 -0.773 1.00 0.00 C ATOM 524 O TYR A 38 -15.733 13.424 -0.637 1.00 0.00 O ATOM 525 CB TYR A 38 -17.854 11.251 0.005 1.00 0.00 C ATOM 526 CG TYR A 38 -18.643 10.454 1.019 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.597 9.068 1.030 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.442 11.089 1.961 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.323 8.337 1.947 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.174 10.365 2.880 1.00 0.00 C ATOM 531 CZ TYR A 38 -20.110 8.991 2.871 1.00 0.00 C ATOM 532 OH TYR A 38 -20.844 8.269 3.781 1.00 0.00 O ATOM 0 H TYR A 38 -16.174 12.757 1.729 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.939 10.274 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.228 12.275 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.038 10.836 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.982 8.552 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.491 12.168 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.275 7.258 1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.794 10.875 3.603 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.342 8.883 4.360 1.00 0.00 H new ATOM 542 N ILE A 39 -15.097 11.599 -1.794 1.00 0.00 N ATOM 543 CA ILE A 39 -14.545 12.368 -2.897 1.00 0.00 C ATOM 544 C ILE A 39 -15.690 13.000 -3.674 1.00 0.00 C ATOM 545 O ILE A 39 -16.583 12.303 -4.145 1.00 0.00 O ATOM 546 CB ILE A 39 -13.712 11.494 -3.863 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.745 10.591 -3.090 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.947 12.377 -4.843 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.723 11.342 -2.275 1.00 0.00 C ATOM 0 H ILE A 39 -14.983 10.589 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.883 13.125 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.395 10.855 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.320 9.944 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.226 9.943 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.364 11.751 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.652 12.975 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.278 13.037 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.077 10.632 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.121 11.968 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.231 11.970 -1.543 1.00 0.00 H new ATOM 561 N ARG A 40 -15.676 14.316 -3.789 1.00 0.00 N ATOM 562 CA ARG A 40 -16.763 15.016 -4.456 1.00 0.00 C ATOM 563 C ARG A 40 -16.537 15.037 -5.963 1.00 0.00 C ATOM 564 O ARG A 40 -17.459 14.801 -6.740 1.00 0.00 O ATOM 565 CB ARG A 40 -16.903 16.437 -3.903 1.00 0.00 C ATOM 566 CG ARG A 40 -18.068 17.222 -4.490 1.00 0.00 C ATOM 567 CD ARG A 40 -19.388 16.491 -4.311 1.00 0.00 C ATOM 568 NE ARG A 40 -20.518 17.286 -4.778 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.583 16.783 -5.400 1.00 0.00 C ATOM 570 NH1 ARG A 40 -21.657 15.488 -5.675 1.00 0.00 N ATOM 571 NH2 ARG A 40 -22.575 17.579 -5.762 1.00 0.00 N ATOM 0 H ARG A 40 -14.933 14.918 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.693 14.483 -4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.024 16.384 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.979 16.982 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.126 18.199 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.890 17.397 -5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.358 15.548 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.527 16.246 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.491 18.293 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.893 14.866 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.478 15.114 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.525 18.579 -5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.390 17.193 -6.238 1.00 0.00 H new ATOM 585 N LEU A 41 -15.301 15.303 -6.368 1.00 0.00 N ATOM 586 CA LEU A 41 -14.944 15.320 -7.781 1.00 0.00 C ATOM 587 C LEU A 41 -13.434 15.236 -7.947 1.00 0.00 C ATOM 588 O LEU A 41 -12.678 15.806 -7.152 1.00 0.00 O ATOM 589 CB LEU A 41 -15.476 16.585 -8.461 1.00 0.00 C ATOM 590 CG LEU A 41 -15.224 16.674 -9.970 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.991 15.587 -10.709 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.601 18.050 -10.492 1.00 0.00 C ATOM 0 H LEU A 41 -14.528 15.510 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.401 14.453 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.550 16.648 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.023 17.453 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.160 16.519 -10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.798 15.669 -11.779 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.667 14.608 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.059 15.705 -10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.416 18.095 -11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.657 18.236 -10.298 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.001 18.807 -9.988 1.00 0.00 H new ATOM 604 N VAL A 42 -13.012 14.509 -8.969 1.00 0.00 N ATOM 605 CA VAL A 42 -11.605 14.373 -9.309 1.00 0.00 C ATOM 606 C VAL A 42 -11.298 15.207 -10.548 1.00 0.00 C ATOM 607 O VAL A 42 -12.083 15.226 -11.495 1.00 0.00 O ATOM 608 CB VAL A 42 -11.233 12.896 -9.578 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.771 12.758 -9.971 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.538 12.036 -8.362 1.00 0.00 C ATOM 0 H VAL A 42 -13.638 13.995 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.014 14.726 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.841 12.548 -10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.541 11.708 -10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.582 13.334 -10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.141 13.133 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.269 11.001 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.962 12.395 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.602 12.095 -8.132 1.00 0.00 H new ATOM 620 N GLU A 43 -10.180 15.913 -10.525 1.00 0.00 N ATOM 621 CA GLU A 43 -9.785 16.754 -11.634 1.00 0.00 C ATOM 622 C GLU A 43 -9.142 15.902 -12.727 1.00 0.00 C ATOM 623 O GLU A 43 -8.262 15.087 -12.452 1.00 0.00 O ATOM 624 CB GLU A 43 -8.809 17.816 -11.128 1.00 0.00 C ATOM 625 CG GLU A 43 -8.619 18.977 -12.079 1.00 0.00 C ATOM 626 CD GLU A 43 -7.784 20.085 -11.475 1.00 0.00 C ATOM 627 OE1 GLU A 43 -6.545 19.997 -11.532 1.00 0.00 O ATOM 628 OE2 GLU A 43 -8.367 21.054 -10.940 1.00 0.00 O ATOM 0 H GLU A 43 -9.527 15.917 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.659 17.248 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.166 18.197 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.842 17.348 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.141 18.621 -12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.594 19.374 -12.363 1.00 0.00 H new ATOM 635 N PRO A 44 -9.583 16.074 -13.982 1.00 0.00 N ATOM 636 CA PRO A 44 -9.089 15.289 -15.124 1.00 0.00 C ATOM 637 C PRO A 44 -7.588 15.464 -15.356 1.00 0.00 C ATOM 638 O PRO A 44 -6.946 14.627 -15.994 1.00 0.00 O ATOM 639 CB PRO A 44 -9.877 15.847 -16.315 1.00 0.00 C ATOM 640 CG PRO A 44 -10.354 17.183 -15.865 1.00 0.00 C ATOM 641 CD PRO A 44 -10.604 17.049 -14.395 1.00 0.00 C ATOM 0 HA PRO A 44 -9.228 14.220 -14.963 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.248 15.930 -17.201 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.712 15.197 -16.576 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.610 17.953 -16.067 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.263 17.472 -16.392 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.489 18.001 -13.876 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.613 16.692 -14.186 1.00 0.00 H new ATOM 649 N GLY A 45 -7.040 16.556 -14.842 1.00 0.00 N ATOM 650 CA GLY A 45 -5.617 16.807 -14.966 1.00 0.00 C ATOM 651 C GLY A 45 -4.898 16.664 -13.642 1.00 0.00 C ATOM 652 O GLY A 45 -4.076 17.508 -13.276 1.00 0.00 O ATOM 0 H GLY A 45 -7.558 17.276 -14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.188 16.112 -15.688 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.459 17.812 -15.358 1.00 0.00 H new ATOM 656 N SER A 46 -5.214 15.604 -12.913 1.00 0.00 N ATOM 657 CA SER A 46 -4.597 15.362 -11.622 1.00 0.00 C ATOM 658 C SER A 46 -4.081 13.929 -11.535 1.00 0.00 C ATOM 659 O SER A 46 -4.540 13.047 -12.264 1.00 0.00 O ATOM 660 CB SER A 46 -5.618 15.607 -10.512 1.00 0.00 C ATOM 661 OG SER A 46 -6.620 14.602 -10.511 1.00 0.00 O ATOM 0 H SER A 46 -5.895 14.899 -13.196 1.00 0.00 H new ATOM 0 HA SER A 46 -3.755 16.044 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.113 15.623 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.079 16.585 -10.647 1.00 0.00 H new ATOM 0 HG SER A 46 -7.084 14.602 -11.374 1.00 0.00 H new ATOM 667 N PRO A 47 -3.101 13.679 -10.650 1.00 0.00 N ATOM 668 CA PRO A 47 -2.591 12.330 -10.383 1.00 0.00 C ATOM 669 C PRO A 47 -3.637 11.427 -9.730 1.00 0.00 C ATOM 670 O PRO A 47 -3.457 10.213 -9.656 1.00 0.00 O ATOM 671 CB PRO A 47 -1.417 12.564 -9.428 1.00 0.00 C ATOM 672 CG PRO A 47 -1.685 13.893 -8.812 1.00 0.00 C ATOM 673 CD PRO A 47 -2.383 14.699 -9.868 1.00 0.00 C ATOM 0 HA PRO A 47 -2.310 11.819 -11.304 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.361 11.782 -8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.467 12.560 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.306 13.793 -7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.758 14.374 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.067 15.427 -9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.676 15.254 -10.484 1.00 0.00 H new ATOM 681 N ALA A 48 -4.719 12.027 -9.241 1.00 0.00 N ATOM 682 CA ALA A 48 -5.805 11.276 -8.627 1.00 0.00 C ATOM 683 C ALA A 48 -6.444 10.303 -9.609 1.00 0.00 C ATOM 684 O ALA A 48 -6.693 9.146 -9.263 1.00 0.00 O ATOM 685 CB ALA A 48 -6.844 12.230 -8.057 1.00 0.00 C ATOM 0 H ALA A 48 -4.865 13.036 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.386 10.684 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.652 11.658 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.379 12.866 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.247 12.850 -8.858 1.00 0.00 H new ATOM 691 N GLU A 49 -6.687 10.754 -10.833 1.00 0.00 N ATOM 692 CA GLU A 49 -7.281 9.886 -11.841 1.00 0.00 C ATOM 693 C GLU A 49 -6.300 8.784 -12.244 1.00 0.00 C ATOM 694 O GLU A 49 -6.708 7.693 -12.644 1.00 0.00 O ATOM 695 CB GLU A 49 -7.787 10.698 -13.047 1.00 0.00 C ATOM 696 CG GLU A 49 -6.713 11.422 -13.849 1.00 0.00 C ATOM 697 CD GLU A 49 -6.156 10.585 -14.982 1.00 0.00 C ATOM 698 OE1 GLU A 49 -6.935 10.194 -15.878 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.944 10.304 -14.977 1.00 0.00 O ATOM 0 H GLU A 49 -6.485 11.703 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.155 9.397 -11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.323 10.025 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.507 11.434 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.130 12.343 -14.256 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.900 11.708 -13.182 1.00 0.00 H new ATOM 706 N LYS A 50 -5.004 9.075 -12.130 1.00 0.00 N ATOM 707 CA LYS A 50 -3.964 8.064 -12.330 1.00 0.00 C ATOM 708 C LYS A 50 -4.032 7.015 -11.223 1.00 0.00 C ATOM 709 O LYS A 50 -3.966 5.814 -11.478 1.00 0.00 O ATOM 710 CB LYS A 50 -2.568 8.700 -12.302 1.00 0.00 C ATOM 711 CG LYS A 50 -2.280 9.672 -13.433 1.00 0.00 C ATOM 712 CD LYS A 50 -0.925 10.343 -13.242 1.00 0.00 C ATOM 713 CE LYS A 50 0.199 9.319 -13.149 1.00 0.00 C ATOM 714 NZ LYS A 50 1.506 9.949 -12.820 1.00 0.00 N ATOM 0 H LYS A 50 -4.649 10.003 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.135 7.602 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.443 9.223 -11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.823 7.905 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.297 9.143 -14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.063 10.429 -13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.733 11.020 -14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.943 10.948 -12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.048 8.579 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.282 8.786 -14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.270 9.259 -12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.660 10.771 -13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.502 10.258 -11.827 1.00 0.00 H new ATOM 728 N ALA A 51 -4.182 7.495 -9.990 1.00 0.00 N ATOM 729 CA ALA A 51 -4.184 6.638 -8.809 1.00 0.00 C ATOM 730 C ALA A 51 -5.395 5.709 -8.793 1.00 0.00 C ATOM 731 O ALA A 51 -5.396 4.680 -8.115 1.00 0.00 O ATOM 732 CB ALA A 51 -4.142 7.492 -7.548 1.00 0.00 C ATOM 0 H ALA A 51 -4.305 8.486 -9.783 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.294 6.010 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.144 6.845 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.237 8.099 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.016 8.143 -7.520 1.00 0.00 H new ATOM 738 N GLY A 52 -6.424 6.087 -9.532 1.00 0.00 N ATOM 739 CA GLY A 52 -7.602 5.252 -9.652 1.00 0.00 C ATOM 740 C GLY A 52 -8.751 5.767 -8.818 1.00 0.00 C ATOM 741 O GLY A 52 -9.794 5.124 -8.723 1.00 0.00 O ATOM 0 H GLY A 52 -6.466 6.962 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.907 5.204 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.358 4.235 -9.344 1.00 0.00 H new ATOM 745 N LEU A 53 -8.542 6.924 -8.213 1.00 0.00 N ATOM 746 CA LEU A 53 -9.546 7.560 -7.379 1.00 0.00 C ATOM 747 C LEU A 53 -10.721 8.062 -8.218 1.00 0.00 C ATOM 748 O LEU A 53 -10.525 8.703 -9.251 1.00 0.00 O ATOM 749 CB LEU A 53 -8.903 8.721 -6.635 1.00 0.00 C ATOM 750 CG LEU A 53 -9.765 9.378 -5.567 1.00 0.00 C ATOM 751 CD1 LEU A 53 -10.043 8.405 -4.435 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.074 10.621 -5.052 1.00 0.00 C ATOM 0 H LEU A 53 -7.670 7.449 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.933 6.829 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.985 8.365 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.616 9.480 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.722 9.664 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.661 8.892 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.567 7.533 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.101 8.091 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.692 11.091 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.110 10.350 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.921 11.320 -5.875 1.00 0.00 H new ATOM 764 N LEU A 54 -11.932 7.763 -7.772 1.00 0.00 N ATOM 765 CA LEU A 54 -13.135 8.185 -8.473 1.00 0.00 C ATOM 766 C LEU A 54 -13.912 9.208 -7.645 1.00 0.00 C ATOM 767 O LEU A 54 -13.681 9.360 -6.442 1.00 0.00 O ATOM 768 CB LEU A 54 -14.021 6.975 -8.776 1.00 0.00 C ATOM 769 CG LEU A 54 -13.393 5.927 -9.696 1.00 0.00 C ATOM 770 CD1 LEU A 54 -14.324 4.737 -9.860 1.00 0.00 C ATOM 771 CD2 LEU A 54 -13.063 6.541 -11.050 1.00 0.00 C ATOM 0 H LEU A 54 -12.108 7.226 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.839 8.653 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.290 6.496 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.947 7.327 -9.230 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.466 5.576 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.861 4.001 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.512 4.286 -8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.267 5.070 -10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.617 5.783 -11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.976 6.917 -11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.360 7.363 -10.915 1.00 0.00 H new ATOM 783 N ALA A 55 -14.833 9.907 -8.297 1.00 0.00 N ATOM 784 CA ALA A 55 -15.628 10.935 -7.640 1.00 0.00 C ATOM 785 C ALA A 55 -16.773 10.314 -6.850 1.00 0.00 C ATOM 786 O ALA A 55 -17.925 10.309 -7.288 1.00 0.00 O ATOM 787 CB ALA A 55 -16.156 11.931 -8.661 1.00 0.00 C ATOM 0 H ALA A 55 -15.048 9.779 -9.286 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.986 11.468 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.748 12.693 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.319 12.404 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.780 11.411 -9.388 1.00 0.00 H new ATOM 793 N GLY A 56 -16.445 9.795 -5.679 1.00 0.00 N ATOM 794 CA GLY A 56 -17.437 9.159 -4.842 1.00 0.00 C ATOM 795 C GLY A 56 -16.822 8.196 -3.849 1.00 0.00 C ATOM 796 O GLY A 56 -17.498 7.738 -2.926 1.00 0.00 O ATOM 0 H GLY A 56 -15.502 9.803 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.998 9.923 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.149 8.624 -5.470 1.00 0.00 H new ATOM 800 N ASP A 57 -15.541 7.890 -4.043 1.00 0.00 N ATOM 801 CA ASP A 57 -14.810 6.982 -3.165 1.00 0.00 C ATOM 802 C ASP A 57 -14.865 7.407 -1.708 1.00 0.00 C ATOM 803 O ASP A 57 -14.816 8.599 -1.382 1.00 0.00 O ATOM 804 CB ASP A 57 -13.343 6.890 -3.587 1.00 0.00 C ATOM 805 CG ASP A 57 -13.100 5.856 -4.661 1.00 0.00 C ATOM 806 OD1 ASP A 57 -12.898 4.675 -4.317 1.00 0.00 O ATOM 807 OD2 ASP A 57 -13.103 6.218 -5.849 1.00 0.00 O ATOM 0 H ASP A 57 -14.983 8.264 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.297 6.011 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.013 7.864 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.735 6.650 -2.715 1.00 0.00 H new ATOM 812 N ARG A 58 -14.980 6.415 -0.840 1.00 0.00 N ATOM 813 CA ARG A 58 -14.849 6.623 0.587 1.00 0.00 C ATOM 814 C ARG A 58 -13.392 6.479 0.984 1.00 0.00 C ATOM 815 O ARG A 58 -12.768 5.455 0.704 1.00 0.00 O ATOM 816 CB ARG A 58 -15.680 5.608 1.373 1.00 0.00 C ATOM 817 CG ARG A 58 -17.170 5.877 1.366 1.00 0.00 C ATOM 818 CD ARG A 58 -17.937 4.748 2.035 1.00 0.00 C ATOM 819 NE ARG A 58 -17.302 4.306 3.279 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.644 3.195 3.934 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.708 2.497 3.552 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.943 2.798 4.989 1.00 0.00 N ATOM 0 H ARG A 58 -15.166 5.448 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.211 7.624 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.501 4.615 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.331 5.593 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.375 6.815 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.516 5.996 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.954 5.078 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -18.011 3.905 1.348 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.555 4.881 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.265 2.810 2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.968 1.648 4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.139 3.343 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.208 1.948 5.487 1.00 0.00 H new ATOM 836 N LEU A 59 -12.851 7.502 1.617 1.00 0.00 N ATOM 837 CA LEU A 59 -11.484 7.447 2.100 1.00 0.00 C ATOM 838 C LEU A 59 -11.428 6.608 3.371 1.00 0.00 C ATOM 839 O LEU A 59 -11.924 7.021 4.417 1.00 0.00 O ATOM 840 CB LEU A 59 -10.943 8.852 2.364 1.00 0.00 C ATOM 841 CG LEU A 59 -9.488 8.903 2.828 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.573 8.245 1.804 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.068 10.338 3.076 1.00 0.00 C ATOM 0 H LEU A 59 -13.335 8.379 1.809 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.858 6.986 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.039 9.440 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.567 9.330 3.119 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.403 8.349 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.542 8.292 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.864 7.203 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.657 8.768 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.029 10.361 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.169 10.911 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.703 10.775 3.846 1.00 0.00 H new ATOM 855 N VAL A 60 -10.813 5.441 3.271 1.00 0.00 N ATOM 856 CA VAL A 60 -10.814 4.484 4.364 1.00 0.00 C ATOM 857 C VAL A 60 -9.652 4.744 5.322 1.00 0.00 C ATOM 858 O VAL A 60 -9.854 4.925 6.525 1.00 0.00 O ATOM 859 CB VAL A 60 -10.729 3.038 3.825 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.741 2.032 4.967 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.870 2.759 2.849 1.00 0.00 C ATOM 0 H VAL A 60 -10.305 5.133 2.441 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.750 4.606 4.908 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.786 2.931 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.680 1.022 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.888 2.213 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.664 2.140 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.792 1.736 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.825 2.890 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.809 3.452 2.010 1.00 0.00 H new ATOM 871 N GLU A 61 -8.437 4.783 4.800 1.00 0.00 N ATOM 872 CA GLU A 61 -7.276 5.011 5.645 1.00 0.00 C ATOM 873 C GLU A 61 -6.281 5.953 4.987 1.00 0.00 C ATOM 874 O GLU A 61 -6.288 6.135 3.766 1.00 0.00 O ATOM 875 CB GLU A 61 -6.606 3.678 6.023 1.00 0.00 C ATOM 876 CG GLU A 61 -6.083 2.853 4.849 1.00 0.00 C ATOM 877 CD GLU A 61 -4.742 3.330 4.312 1.00 0.00 C ATOM 878 OE1 GLU A 61 -3.986 3.966 5.066 1.00 0.00 O ATOM 879 OE2 GLU A 61 -4.427 3.040 3.139 1.00 0.00 O ATOM 0 H GLU A 61 -8.230 4.662 3.809 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.623 5.491 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.775 3.886 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.324 3.074 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.990 1.813 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.817 2.879 4.043 1.00 0.00 H new ATOM 886 N VAL A 62 -5.445 6.564 5.817 1.00 0.00 N ATOM 887 CA VAL A 62 -4.343 7.383 5.343 1.00 0.00 C ATOM 888 C VAL A 62 -3.053 6.917 6.007 1.00 0.00 C ATOM 889 O VAL A 62 -2.869 7.091 7.214 1.00 0.00 O ATOM 890 CB VAL A 62 -4.561 8.887 5.650 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.369 9.719 5.197 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.834 9.394 4.993 1.00 0.00 C ATOM 0 H VAL A 62 -5.513 6.505 6.833 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.284 7.270 4.261 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.661 8.992 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.551 10.769 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.472 9.384 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.230 9.600 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.966 10.451 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.763 9.263 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.688 8.832 5.371 1.00 0.00 H new ATOM 902 N ASN A 63 -2.177 6.315 5.209 1.00 0.00 N ATOM 903 CA ASN A 63 -0.879 5.826 5.678 1.00 0.00 C ATOM 904 C ASN A 63 -1.004 4.802 6.812 1.00 0.00 C ATOM 905 O ASN A 63 -0.227 4.825 7.768 1.00 0.00 O ATOM 906 CB ASN A 63 0.035 6.983 6.103 1.00 0.00 C ATOM 907 CG ASN A 63 0.623 7.723 4.915 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.009 8.831 4.534 1.00 0.00 O flip ATOM 909 ND2 ASN A 63 1.641 7.315 4.358 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.345 6.151 4.216 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.425 5.314 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.531 7.682 6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.844 6.595 6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.088 6.456 4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.038 7.836 3.576 1.00 0.00 H new ATOM 916 N GLY A 64 -1.981 3.911 6.708 1.00 0.00 N ATOM 917 CA GLY A 64 -2.037 2.766 7.599 1.00 0.00 C ATOM 918 C GLY A 64 -3.160 2.820 8.617 1.00 0.00 C ATOM 919 O GLY A 64 -3.633 1.778 9.077 1.00 0.00 O ATOM 0 H GLY A 64 -2.736 3.959 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.147 1.861 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.087 2.685 8.128 1.00 0.00 H new ATOM 923 N GLU A 65 -3.596 4.016 8.981 1.00 0.00 N ATOM 924 CA GLU A 65 -4.577 4.161 10.050 1.00 0.00 C ATOM 925 C GLU A 65 -5.935 4.609 9.509 1.00 0.00 C ATOM 926 O GLU A 65 -6.016 5.445 8.604 1.00 0.00 O ATOM 927 CB GLU A 65 -4.061 5.131 11.120 1.00 0.00 C ATOM 928 CG GLU A 65 -3.748 6.519 10.600 1.00 0.00 C ATOM 929 CD GLU A 65 -3.094 7.394 11.647 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.663 7.543 12.751 1.00 0.00 O ATOM 931 OE2 GLU A 65 -2.020 7.967 11.362 1.00 0.00 O ATOM 0 H GLU A 65 -3.291 4.893 8.558 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.720 3.184 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.806 5.211 11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.161 4.712 11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.090 6.440 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.669 6.992 10.259 1.00 0.00 H new ATOM 938 N ASN A 66 -6.992 4.034 10.078 1.00 0.00 N ATOM 939 CA ASN A 66 -8.369 4.314 9.666 1.00 0.00 C ATOM 940 C ASN A 66 -8.728 5.765 9.971 1.00 0.00 C ATOM 941 O ASN A 66 -8.709 6.182 11.129 1.00 0.00 O ATOM 942 CB ASN A 66 -9.327 3.370 10.408 1.00 0.00 C ATOM 943 CG ASN A 66 -10.779 3.496 9.969 1.00 0.00 C ATOM 944 OD1 ASN A 66 -11.691 3.413 10.793 1.00 0.00 O ATOM 945 ND2 ASN A 66 -11.009 3.662 8.674 1.00 0.00 N ATOM 0 H ASN A 66 -6.920 3.359 10.839 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.460 4.152 8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.999 2.342 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.262 3.570 11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.967 3.725 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.228 3.726 8.021 1.00 0.00 H new ATOM 952 N VAL A 67 -9.052 6.531 8.939 1.00 0.00 N ATOM 953 CA VAL A 67 -9.302 7.959 9.107 1.00 0.00 C ATOM 954 C VAL A 67 -10.782 8.299 9.003 1.00 0.00 C ATOM 955 O VAL A 67 -11.167 9.461 9.126 1.00 0.00 O ATOM 956 CB VAL A 67 -8.527 8.796 8.075 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.032 8.637 8.286 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.924 8.404 6.657 1.00 0.00 C ATOM 0 H VAL A 67 -9.148 6.192 7.982 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.953 8.207 10.110 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.782 9.846 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.495 9.234 7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.768 8.974 9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.758 7.588 8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.364 9.008 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.700 7.350 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.992 8.574 6.518 1.00 0.00 H new ATOM 968 N GLU A 68 -11.612 7.289 8.793 1.00 0.00 N ATOM 969 CA GLU A 68 -13.053 7.499 8.693 1.00 0.00 C ATOM 970 C GLU A 68 -13.615 8.001 10.015 1.00 0.00 C ATOM 971 O GLU A 68 -14.660 8.640 10.055 1.00 0.00 O ATOM 972 CB GLU A 68 -13.759 6.202 8.312 1.00 0.00 C ATOM 973 CG GLU A 68 -13.327 5.635 6.977 1.00 0.00 C ATOM 974 CD GLU A 68 -13.962 4.293 6.710 1.00 0.00 C ATOM 975 OE1 GLU A 68 -15.068 4.259 6.130 1.00 0.00 O ATOM 976 OE2 GLU A 68 -13.370 3.271 7.109 1.00 0.00 O ATOM 0 H GLU A 68 -11.317 6.318 8.688 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.227 8.247 7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.575 5.459 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.834 6.379 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.597 6.330 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.242 5.535 6.958 1.00 0.00 H new ATOM 983 N LYS A 69 -12.904 7.709 11.093 1.00 0.00 N ATOM 984 CA LYS A 69 -13.380 8.024 12.431 1.00 0.00 C ATOM 985 C LYS A 69 -12.810 9.358 12.916 1.00 0.00 C ATOM 986 O LYS A 69 -13.097 9.802 14.029 1.00 0.00 O ATOM 987 CB LYS A 69 -12.988 6.900 13.390 1.00 0.00 C ATOM 988 CG LYS A 69 -13.220 5.506 12.817 1.00 0.00 C ATOM 989 CD LYS A 69 -14.700 5.201 12.639 1.00 0.00 C ATOM 990 CE LYS A 69 -14.931 4.040 11.674 1.00 0.00 C ATOM 991 NZ LYS A 69 -14.098 2.851 11.997 1.00 0.00 N ATOM 0 H LYS A 69 -11.992 7.253 11.067 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.466 8.115 12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.935 7.006 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.558 7.005 14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.714 5.421 11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.774 4.763 13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.140 4.961 13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.211 6.089 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.984 3.758 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.711 4.368 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.583 1.989 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.178 2.931 11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.950 2.800 13.025 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.991 9.984 12.080 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.430 11.293 12.383 1.00 0.00 C ATOM 1007 C GLU A 70 -12.403 12.381 11.955 1.00 0.00 C ATOM 1008 O GLU A 70 -13.324 12.123 11.185 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.104 11.472 11.644 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.046 10.456 12.029 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.570 10.632 13.456 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.708 11.505 13.696 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.054 9.902 14.346 1.00 0.00 O ATOM 0 H GLU A 70 -11.699 9.602 11.180 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.256 11.367 13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.285 11.405 10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.721 12.473 11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.449 9.451 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.197 10.545 11.352 1.00 0.00 H new ATOM 1020 N THR A 71 -12.210 13.592 12.457 1.00 0.00 N ATOM 1021 CA THR A 71 -13.031 14.714 12.030 1.00 0.00 C ATOM 1022 C THR A 71 -12.679 15.093 10.597 1.00 0.00 C ATOM 1023 O THR A 71 -11.563 14.817 10.149 1.00 0.00 O ATOM 1024 CB THR A 71 -12.844 15.950 12.937 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.522 16.478 12.791 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.070 15.598 14.395 1.00 0.00 C ATOM 0 H THR A 71 -11.500 13.821 13.153 1.00 0.00 H new ATOM 0 HA THR A 71 -14.072 14.399 12.098 1.00 0.00 H new ATOM 0 HB THR A 71 -13.578 16.695 12.632 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.461 17.339 13.255 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.932 16.487 15.010 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.084 15.221 14.525 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.357 14.832 14.699 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.599 15.730 9.888 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.362 16.089 8.492 1.00 0.00 C ATOM 1036 C HIS A 72 -12.084 16.917 8.365 1.00 0.00 C ATOM 1037 O HIS A 72 -11.248 16.667 7.495 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.557 16.871 7.938 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.406 17.259 6.499 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.651 16.390 5.462 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.019 18.424 5.928 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.420 17.002 4.317 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -14.034 18.237 4.568 1.00 0.00 N ATOM 0 H HIS A 72 -14.511 16.009 10.250 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.242 15.174 7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.458 16.268 8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.699 17.772 8.535 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.962 15.424 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.749 19.332 6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.529 16.564 3.336 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.942 17.886 9.259 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.769 18.750 9.295 1.00 0.00 C ATOM 1054 C GLN A 73 -9.492 17.941 9.518 1.00 0.00 C ATOM 1055 O GLN A 73 -8.479 18.166 8.851 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.929 19.792 10.405 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.735 20.720 10.567 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.893 21.661 11.746 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.129 22.017 12.060 1.00 0.00 O flip ATOM 1060 NE2 GLN A 73 -8.913 22.060 12.369 1.00 0.00 N flip ATOM 0 H GLN A 73 -12.634 18.095 9.978 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.685 19.253 8.332 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.816 20.392 10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.105 19.276 11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.831 20.126 10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.604 21.303 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.977 21.761 12.094 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.035 22.690 13.162 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.546 16.986 10.443 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.376 16.178 10.766 1.00 0.00 C ATOM 1071 C GLN A 74 -7.964 15.306 9.588 1.00 0.00 C ATOM 1072 O GLN A 74 -6.778 15.164 9.297 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.628 15.315 12.001 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.596 16.104 13.301 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.291 16.851 13.497 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.241 16.413 13.033 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.348 17.976 14.191 1.00 0.00 N ATOM 0 H GLN A 74 -10.383 16.754 10.979 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.557 16.864 10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.598 14.827 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.877 14.526 12.044 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.422 16.815 13.311 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.751 15.424 14.139 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.241 18.304 14.558 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.499 18.515 14.358 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.950 14.737 8.904 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.687 13.884 7.751 1.00 0.00 C ATOM 1088 C VAL A 75 -7.919 14.649 6.675 1.00 0.00 C ATOM 1089 O VAL A 75 -6.901 14.175 6.167 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.994 13.328 7.147 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.699 12.423 5.962 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.791 12.575 8.197 1.00 0.00 C ATOM 0 H VAL A 75 -9.939 14.851 9.128 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.083 13.048 8.103 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.589 14.171 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.635 12.043 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.171 12.989 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.080 11.587 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.709 12.191 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.197 11.744 8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.040 13.249 9.017 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.399 15.847 6.351 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.767 16.677 5.330 1.00 0.00 C ATOM 1104 C VAL A 76 -6.343 17.051 5.735 1.00 0.00 C ATOM 1105 O VAL A 76 -5.423 17.033 4.911 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.579 17.964 5.072 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.924 18.821 3.999 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.009 17.621 4.682 1.00 0.00 C ATOM 0 H VAL A 76 -9.224 16.265 6.781 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.737 16.090 4.412 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.598 18.541 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.518 19.721 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.921 19.101 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.863 18.256 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.568 18.540 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.004 17.017 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.481 17.060 5.488 1.00 0.00 H new ATOM 1118 N SER A 77 -6.166 17.371 7.012 1.00 0.00 N ATOM 1119 CA SER A 77 -4.862 17.750 7.537 1.00 0.00 C ATOM 1120 C SER A 77 -3.848 16.617 7.359 1.00 0.00 C ATOM 1121 O SER A 77 -2.678 16.859 7.066 1.00 0.00 O ATOM 1122 CB SER A 77 -4.983 18.121 9.014 1.00 0.00 C ATOM 1123 OG SER A 77 -5.966 19.127 9.203 1.00 0.00 O ATOM 0 H SER A 77 -6.914 17.375 7.705 1.00 0.00 H new ATOM 0 HA SER A 77 -4.505 18.615 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.245 17.237 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.020 18.473 9.385 1.00 0.00 H new ATOM 0 HG SER A 77 -6.855 18.716 9.225 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.316 15.380 7.520 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.463 14.204 7.367 1.00 0.00 C ATOM 1131 C ARG A 78 -2.984 14.054 5.931 1.00 0.00 C ATOM 1132 O ARG A 78 -1.814 13.759 5.681 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.219 12.940 7.774 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.644 12.918 9.226 1.00 0.00 C ATOM 1135 CD ARG A 78 -5.362 11.623 9.553 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.657 11.495 10.975 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.886 10.824 11.825 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.741 10.305 11.419 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.258 10.674 13.086 1.00 0.00 N ATOM 0 H ARG A 78 -5.285 15.167 7.757 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.598 14.341 8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.104 12.840 7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.589 12.073 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.770 13.027 9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.299 13.765 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.292 11.573 8.986 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.749 10.780 9.235 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.499 11.944 11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.445 10.418 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.153 9.791 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.139 11.074 13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.664 10.158 13.735 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.893 14.256 4.989 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.578 14.086 3.576 1.00 0.00 C ATOM 1155 C ILE A 79 -2.609 15.171 3.110 1.00 0.00 C ATOM 1156 O ILE A 79 -1.684 14.907 2.340 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.851 14.127 2.709 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.917 13.194 3.286 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.523 13.729 1.275 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.245 13.276 2.568 1.00 0.00 C ATOM 0 H ILE A 79 -4.855 14.538 5.176 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.111 13.108 3.460 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.242 15.145 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.552 12.168 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.067 13.434 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.430 13.762 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.789 14.422 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.115 12.718 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.952 12.588 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.632 14.293 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.110 13.007 1.520 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.820 16.388 3.598 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.951 17.512 3.268 1.00 0.00 C ATOM 1174 C ARG A 80 -0.589 17.363 3.949 1.00 0.00 C ATOM 1175 O ARG A 80 0.409 17.925 3.495 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.611 18.842 3.650 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.822 19.170 2.790 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.387 20.553 3.088 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.450 20.917 2.145 1.00 0.00 N ATOM 1180 CZ ARG A 80 -6.108 22.078 2.161 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -5.863 22.975 3.104 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -7.026 22.330 1.238 1.00 0.00 N ATOM 0 H ARG A 80 -3.589 16.622 4.226 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.792 17.513 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.914 18.804 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.879 19.644 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.543 19.113 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.596 18.421 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.779 20.575 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.587 21.292 3.038 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.703 20.237 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.168 22.781 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.370 23.860 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.228 21.637 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.530 23.217 1.249 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.561 16.603 5.041 1.00 0.00 N ATOM 1197 CA ALA A 81 0.671 16.360 5.788 1.00 0.00 C ATOM 1198 C ALA A 81 1.667 15.520 4.987 1.00 0.00 C ATOM 1199 O ALA A 81 2.862 15.499 5.295 1.00 0.00 O ATOM 1200 CB ALA A 81 0.355 15.677 7.110 1.00 0.00 C ATOM 0 H ALA A 81 -1.383 16.142 5.430 1.00 0.00 H new ATOM 0 HA ALA A 81 1.136 17.327 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.280 15.501 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.302 16.315 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.140 14.725 6.918 1.00 0.00 H new ATOM 1206 N ALA A 82 1.173 14.824 3.969 1.00 0.00 N ATOM 1207 CA ALA A 82 2.026 14.014 3.116 1.00 0.00 C ATOM 1208 C ALA A 82 2.925 14.898 2.261 1.00 0.00 C ATOM 1209 O ALA A 82 2.498 15.939 1.755 1.00 0.00 O ATOM 1210 CB ALA A 82 1.189 13.106 2.240 1.00 0.00 C ATOM 0 H ALA A 82 0.185 14.806 3.717 1.00 0.00 H new ATOM 0 HA ALA A 82 2.659 13.395 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.843 12.506 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.588 12.448 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.532 13.709 1.614 1.00 0.00 H new ATOM 1216 N LEU A 83 4.163 14.461 2.091 1.00 0.00 N ATOM 1217 CA LEU A 83 5.176 15.252 1.409 1.00 0.00 C ATOM 1218 C LEU A 83 5.045 15.132 -0.105 1.00 0.00 C ATOM 1219 O LEU A 83 4.601 16.065 -0.773 1.00 0.00 O ATOM 1220 CB LEU A 83 6.572 14.804 1.855 1.00 0.00 C ATOM 1221 CG LEU A 83 6.794 14.781 3.368 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.173 14.238 3.696 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.611 16.170 3.958 1.00 0.00 C ATOM 0 H LEU A 83 4.493 13.553 2.420 1.00 0.00 H new ATOM 0 HA LEU A 83 5.029 16.298 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.759 13.805 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.310 15.468 1.405 1.00 0.00 H new ATOM 0 HG LEU A 83 6.050 14.120 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.313 14.229 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.266 13.223 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.932 14.871 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.773 16.132 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.329 16.854 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.599 16.521 3.756 1.00 0.00 H new ATOM 1235 N ASN A 84 5.413 13.978 -0.639 1.00 0.00 N ATOM 1236 CA ASN A 84 5.400 13.771 -2.080 1.00 0.00 C ATOM 1237 C ASN A 84 4.295 12.808 -2.478 1.00 0.00 C ATOM 1238 O ASN A 84 3.519 13.080 -3.391 1.00 0.00 O ATOM 1239 CB ASN A 84 6.751 13.234 -2.551 1.00 0.00 C ATOM 1240 CG ASN A 84 6.779 12.976 -4.047 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.527 11.859 -4.502 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.087 14.006 -4.821 1.00 0.00 N ATOM 0 H ASN A 84 5.724 13.171 -0.098 1.00 0.00 H new ATOM 0 HA ASN A 84 5.211 14.732 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.533 13.948 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.977 12.309 -2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.122 13.890 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.289 14.915 -4.404 1.00 0.00 H new ATOM 1249 N ALA A 85 4.225 11.687 -1.783 1.00 0.00 N ATOM 1250 CA ALA A 85 3.229 10.674 -2.078 1.00 0.00 C ATOM 1251 C ALA A 85 2.484 10.274 -0.815 1.00 0.00 C ATOM 1252 O ALA A 85 3.081 10.124 0.254 1.00 0.00 O ATOM 1253 CB ALA A 85 3.879 9.454 -2.720 1.00 0.00 C ATOM 0 H ALA A 85 4.848 11.455 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 85 2.512 11.095 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.116 8.705 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.368 9.749 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.618 9.034 -2.038 1.00 0.00 H new ATOM 1259 N VAL A 86 1.180 10.123 -0.940 1.00 0.00 N ATOM 1260 CA VAL A 86 0.348 9.694 0.169 1.00 0.00 C ATOM 1261 C VAL A 86 -0.466 8.470 -0.231 1.00 0.00 C ATOM 1262 O VAL A 86 -1.022 8.417 -1.330 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.594 10.830 0.643 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.452 11.349 -0.501 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.468 10.370 1.801 1.00 0.00 C ATOM 0 H VAL A 86 0.669 10.293 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 86 1.004 9.435 1.000 1.00 0.00 H new ATOM 0 HB VAL A 86 0.033 11.650 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.102 12.145 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.809 11.738 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.061 10.536 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.118 11.187 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.076 9.523 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.836 10.070 2.637 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.515 7.475 0.644 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.307 6.288 0.375 1.00 0.00 C ATOM 1277 C ARG A 87 -2.716 6.468 0.906 1.00 0.00 C ATOM 1278 O ARG A 87 -2.936 6.545 2.115 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.671 5.027 0.973 1.00 0.00 C ATOM 1280 CG ARG A 87 -0.331 5.124 2.450 1.00 0.00 C ATOM 1281 CD ARG A 87 -0.091 3.748 3.058 1.00 0.00 C ATOM 1282 NE ARG A 87 -1.333 2.985 3.184 1.00 0.00 N ATOM 1283 CZ ARG A 87 -1.416 1.768 3.719 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -0.331 1.144 4.154 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -2.594 1.179 3.819 1.00 0.00 N ATOM 0 H ARG A 87 -0.021 7.467 1.536 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.343 6.155 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.352 4.189 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.240 4.799 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.558 5.741 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.144 5.621 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.614 3.195 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.368 3.860 4.040 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.192 3.413 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.581 1.595 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.408 0.212 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.432 1.656 3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.665 0.247 4.228 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.656 6.576 -0.013 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.054 6.703 0.341 1.00 0.00 C ATOM 1301 C LEU A 88 -5.810 5.457 -0.091 1.00 0.00 C ATOM 1302 O LEU A 88 -5.865 5.134 -1.279 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.666 7.942 -0.321 1.00 0.00 C ATOM 1304 CG LEU A 88 -4.995 9.275 0.027 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.677 10.419 -0.705 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.021 9.520 1.527 1.00 0.00 C ATOM 0 H LEU A 88 -3.474 6.578 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.132 6.814 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.631 7.809 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.718 8.000 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.954 9.224 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.189 11.359 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.606 10.256 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.726 10.463 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.539 10.472 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.054 9.547 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.489 8.717 2.036 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.363 4.744 0.873 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.183 3.587 0.572 1.00 0.00 C ATOM 1320 C LEU A 89 -8.606 4.054 0.358 1.00 0.00 C ATOM 1321 O LEU A 89 -9.164 4.776 1.187 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.122 2.569 1.713 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.538 1.128 1.372 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -9.012 1.027 1.010 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -6.672 0.573 0.250 1.00 0.00 C ATOM 0 H LEU A 89 -6.259 4.945 1.868 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.811 3.097 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.102 2.548 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.759 2.925 2.522 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.384 0.527 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.259 -0.009 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.617 1.364 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.217 1.653 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.981 -0.447 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.786 1.193 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.628 0.575 0.562 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.190 3.637 -0.746 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.520 4.086 -1.107 1.00 0.00 C ATOM 1339 C VAL A 90 -11.359 2.940 -1.649 1.00 0.00 C ATOM 1340 O VAL A 90 -10.827 1.977 -2.214 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.462 5.229 -2.148 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.930 6.505 -1.514 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.606 4.833 -3.344 1.00 0.00 C ATOM 0 H VAL A 90 -8.766 2.988 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.989 4.464 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.476 5.414 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.897 7.297 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.585 6.806 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.926 6.328 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.581 5.653 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.592 4.613 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.031 3.949 -3.819 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.666 3.045 -1.454 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.617 2.078 -1.986 1.00 0.00 C ATOM 1355 C VAL A 91 -14.900 2.799 -2.376 1.00 0.00 C ATOM 1356 O VAL A 91 -15.275 3.795 -1.747 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.972 0.948 -0.971 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.732 0.269 -0.412 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.863 1.464 0.153 1.00 0.00 C ATOM 0 H VAL A 91 -13.097 3.802 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.143 1.609 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.532 0.195 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.029 -0.510 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.162 -0.175 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.115 1.005 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.090 0.649 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.347 2.259 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.791 1.853 -0.267 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.558 2.316 -3.416 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.852 2.851 -3.807 1.00 0.00 C ATOM 1371 C ASP A 92 -17.866 2.539 -2.713 1.00 0.00 C ATOM 1372 O ASP A 92 -17.781 1.478 -2.091 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.331 2.237 -5.127 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.203 1.990 -6.111 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.474 0.990 -5.933 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.047 2.780 -7.064 1.00 0.00 O ATOM 0 H ASP A 92 -15.218 1.555 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.755 3.928 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.838 1.294 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.066 2.900 -5.584 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.820 3.440 -2.436 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.844 3.207 -1.410 1.00 0.00 C ATOM 1383 C PRO A 93 -20.544 1.854 -1.583 1.00 0.00 C ATOM 1384 O PRO A 93 -20.764 1.127 -0.610 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.826 4.359 -1.624 1.00 0.00 C ATOM 1386 CG PRO A 93 -20.005 5.444 -2.236 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.965 4.757 -3.079 1.00 0.00 C ATOM 0 HA PRO A 93 -19.421 3.176 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.646 4.065 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.270 4.681 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.624 6.105 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.539 6.060 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.286 4.664 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.024 5.307 -3.084 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.857 1.509 -2.827 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.481 0.224 -3.138 1.00 0.00 C ATOM 1397 C GLU A 94 -20.501 -0.933 -2.962 1.00 0.00 C ATOM 1398 O GLU A 94 -20.905 -2.059 -2.663 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.066 0.210 -4.557 1.00 0.00 C ATOM 1400 CG GLU A 94 -21.282 1.024 -5.572 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.720 2.474 -5.614 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -21.198 3.280 -4.820 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -22.602 2.810 -6.430 1.00 0.00 O ATOM 0 H GLU A 94 -20.689 2.102 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.298 0.091 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.121 -0.822 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.088 0.588 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.220 0.975 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.405 0.582 -6.561 1.00 0.00 H new ATOM 1410 N THR A 95 -19.216 -0.664 -3.158 1.00 0.00 N ATOM 1411 CA THR A 95 -18.194 -1.689 -3.016 1.00 0.00 C ATOM 1412 C THR A 95 -18.079 -2.133 -1.561 1.00 0.00 C ATOM 1413 O THR A 95 -17.942 -3.321 -1.273 1.00 0.00 O ATOM 1414 CB THR A 95 -16.832 -1.186 -3.532 1.00 0.00 C ATOM 1415 OG1 THR A 95 -16.929 -0.907 -4.933 1.00 0.00 O ATOM 1416 CG2 THR A 95 -15.737 -2.210 -3.294 1.00 0.00 C ATOM 0 H THR A 95 -18.859 0.256 -3.416 1.00 0.00 H new ATOM 0 HA THR A 95 -18.491 -2.546 -3.620 1.00 0.00 H new ATOM 0 HB THR A 95 -16.573 -0.280 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.098 -0.488 -5.241 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.790 -1.824 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.650 -2.408 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.984 -3.135 -3.816 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.177 -1.171 -0.653 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.132 -1.454 0.780 1.00 0.00 C ATOM 1426 C ASP A 96 -19.260 -2.393 1.181 1.00 0.00 C ATOM 1427 O ASP A 96 -19.069 -3.301 1.986 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.236 -0.153 1.577 1.00 0.00 C ATOM 1429 CG ASP A 96 -18.562 -0.390 3.040 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -17.628 -0.543 3.845 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -19.763 -0.382 3.388 1.00 0.00 O ATOM 0 H ASP A 96 -18.289 -0.183 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.181 -1.938 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.295 0.391 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.006 0.479 1.135 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.426 -2.180 0.586 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.613 -2.965 0.900 1.00 0.00 C ATOM 1438 C GLU A 97 -21.371 -4.452 0.639 1.00 0.00 C ATOM 1439 O GLU A 97 -21.830 -5.306 1.394 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.799 -2.451 0.086 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.078 -0.971 0.303 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.223 -0.454 -0.543 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -24.178 -0.618 -1.778 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.169 0.132 0.024 1.00 0.00 O ATOM 0 H GLU A 97 -20.576 -1.463 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.840 -2.853 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.608 -2.627 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.688 -3.024 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.305 -0.800 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.178 -0.400 0.074 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.670 -4.762 -0.444 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.276 -6.137 -0.717 1.00 0.00 C ATOM 1453 C GLN A 98 -19.143 -6.570 0.216 1.00 0.00 C ATOM 1454 O GLN A 98 -19.201 -7.637 0.825 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.842 -6.296 -2.178 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.598 -7.738 -2.596 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.832 -8.603 -2.435 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -21.657 -8.702 -3.344 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -20.969 -9.242 -1.286 1.00 0.00 N ATOM 0 H GLN A 98 -20.365 -4.085 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.140 -6.777 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.608 -5.866 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.930 -5.722 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -19.274 -7.762 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.786 -8.154 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.265 -9.135 -0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -21.779 -9.842 -1.129 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.137 -5.705 0.342 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.881 -6.027 1.027 1.00 0.00 C ATOM 1470 C LEU A 99 -17.058 -6.261 2.531 1.00 0.00 C ATOM 1471 O LEU A 99 -16.329 -7.055 3.123 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.862 -4.907 0.784 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.067 -4.979 -0.533 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.709 -5.613 -0.290 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.825 -5.754 -1.608 1.00 0.00 C ATOM 0 H LEU A 99 -18.169 -4.756 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.519 -6.966 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.389 -3.953 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.153 -4.905 1.612 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.930 -3.960 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.156 -5.659 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.152 -5.015 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.843 -6.621 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.232 -5.783 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -16.008 -6.771 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.777 -5.262 -1.808 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.005 -5.569 3.151 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.263 -5.739 4.580 1.00 0.00 C ATOM 1489 C GLN A 100 -18.625 -7.187 4.915 1.00 0.00 C ATOM 1490 O GLN A 100 -18.302 -7.677 5.996 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.355 -4.780 5.069 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.617 -4.789 4.225 1.00 0.00 C ATOM 1493 CD GLN A 100 -21.660 -3.819 4.739 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.549 -2.563 4.336 1.00 0.00 O flip ATOM 1495 NE2 GLN A 100 -22.538 -4.188 5.518 1.00 0.00 N flip ATOM 0 H GLN A 100 -18.607 -4.886 2.691 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.340 -5.494 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -19.616 -5.038 6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.952 -3.768 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.364 -4.535 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -21.035 -5.795 4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -22.588 -5.166 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -23.216 -3.516 5.878 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.296 -7.864 3.987 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.703 -9.254 4.190 1.00 0.00 C ATOM 1506 C LYS A 101 -18.485 -10.180 4.265 1.00 0.00 C ATOM 1507 O LYS A 101 -18.571 -11.299 4.775 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.624 -9.708 3.057 1.00 0.00 C ATOM 1509 CG LYS A 101 -21.881 -8.867 2.913 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.759 -8.938 4.154 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.071 -8.191 3.955 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.817 -8.689 2.766 1.00 0.00 N ATOM 0 H LYS A 101 -19.570 -7.473 3.086 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.240 -9.310 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.070 -9.680 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.910 -10.746 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.604 -7.830 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.448 -9.208 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.966 -9.981 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.224 -8.515 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.691 -8.301 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -23.869 -7.126 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.833 -8.730 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.662 -8.045 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.478 -9.640 2.517 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.363 -9.705 3.738 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.109 -10.448 3.740 1.00 0.00 C ATOM 1528 C LEU A 102 -15.521 -10.517 5.145 1.00 0.00 C ATOM 1529 O LEU A 102 -15.728 -11.486 5.872 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.097 -9.765 2.812 1.00 0.00 C ATOM 1531 CG LEU A 102 -15.326 -9.901 1.302 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.750 -9.564 0.895 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -14.348 -9.005 0.564 1.00 0.00 C ATOM 0 H LEU A 102 -17.297 -8.789 3.295 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.315 -11.459 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.078 -8.703 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.108 -10.162 3.041 1.00 0.00 H new ATOM 0 HG LEU A 102 -15.159 -10.945 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.856 -9.677 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -17.442 -10.238 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.975 -8.535 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.508 -9.099 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.505 -7.969 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.328 -9.302 0.806 1.00 0.00 H new ATOM 1545 N GLY A 103 -14.784 -9.477 5.520 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.125 -9.457 6.815 1.00 0.00 C ATOM 1547 C GLY A 103 -12.882 -10.334 6.855 1.00 0.00 C ATOM 1548 O GLY A 103 -12.247 -10.479 7.902 1.00 0.00 O ATOM 0 H GLY A 103 -14.630 -8.645 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.849 -8.432 7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.826 -9.792 7.580 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.521 -10.910 5.714 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.373 -11.809 5.640 1.00 0.00 C ATOM 1554 C VAL A 104 -10.092 -11.035 5.331 1.00 0.00 C ATOM 1555 O VAL A 104 -9.567 -11.110 4.220 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.576 -12.909 4.573 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -10.458 -13.942 4.644 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.934 -13.578 4.737 1.00 0.00 C ATOM 0 H VAL A 104 -13.006 -10.771 4.827 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.281 -12.285 6.616 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.545 -12.437 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.621 -14.707 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.500 -13.454 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.453 -14.406 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.054 -14.348 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.999 -14.032 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.722 -12.833 4.627 1.00 0.00 H new ATOM 1568 N GLN A 105 -9.629 -10.271 6.328 1.00 0.00 N ATOM 1569 CA GLN A 105 -8.363 -9.509 6.274 1.00 0.00 C ATOM 1570 C GLN A 105 -8.111 -8.839 4.913 1.00 0.00 C ATOM 1571 O GLN A 105 -6.970 -8.688 4.482 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.173 -10.407 6.656 1.00 0.00 C ATOM 1573 CG GLN A 105 -6.836 -11.491 5.641 1.00 0.00 C ATOM 1574 CD GLN A 105 -5.574 -12.252 6.001 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -5.313 -12.394 7.292 1.00 0.00 O flip ATOM 1576 NE2 GLN A 105 -4.843 -12.719 5.125 1.00 0.00 N flip ATOM 0 H GLN A 105 -10.127 -10.159 7.211 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.461 -8.704 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.294 -9.779 6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.387 -10.881 7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.670 -12.189 5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.715 -11.038 4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.078 -12.588 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.003 -13.236 5.384 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.172 -8.385 4.268 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.072 -7.861 2.911 1.00 0.00 C ATOM 1587 C VAL A 106 -8.573 -6.413 2.909 1.00 0.00 C ATOM 1588 O VAL A 106 -8.405 -5.805 1.858 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.431 -7.971 2.171 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.409 -6.901 2.639 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.237 -7.925 0.658 1.00 0.00 C ATOM 0 H VAL A 106 -10.114 -8.367 4.660 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.342 -8.469 2.377 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.866 -8.939 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.350 -7.008 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.588 -7.014 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.989 -5.914 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.206 -8.004 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.764 -6.983 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.603 -8.755 0.347 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.302 -5.884 4.100 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.008 -4.461 4.272 1.00 0.00 C ATOM 1603 C ARG A 107 -6.744 -4.021 3.522 1.00 0.00 C ATOM 1604 O ARG A 107 -6.762 -3.013 2.821 1.00 0.00 O ATOM 1605 CB ARG A 107 -7.852 -4.134 5.766 1.00 0.00 C ATOM 1606 CG ARG A 107 -6.714 -4.892 6.442 1.00 0.00 C ATOM 1607 CD ARG A 107 -6.447 -4.392 7.851 1.00 0.00 C ATOM 1608 NE ARG A 107 -5.219 -4.965 8.404 1.00 0.00 N ATOM 1609 CZ ARG A 107 -4.779 -4.730 9.641 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -5.490 -3.981 10.471 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -3.633 -5.253 10.055 1.00 0.00 N ATOM 0 H ARG A 107 -8.280 -6.422 4.966 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.849 -3.912 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.682 -3.063 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.786 -4.364 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.957 -5.954 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.808 -4.791 5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.370 -3.305 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.290 -4.647 8.494 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.667 -5.581 7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.377 -3.582 10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.150 -3.804 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.083 -5.838 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.301 -5.070 11.002 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.661 -4.779 3.653 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.375 -4.372 3.087 1.00 0.00 C ATOM 1627 C GLU A 108 -3.550 -5.574 2.654 1.00 0.00 C ATOM 1628 O GLU A 108 -2.661 -5.453 1.811 1.00 0.00 O ATOM 1629 CB GLU A 108 -3.555 -3.591 4.118 1.00 0.00 C ATOM 1630 CG GLU A 108 -4.164 -2.272 4.556 1.00 0.00 C ATOM 1631 CD GLU A 108 -3.337 -1.603 5.630 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -2.273 -1.036 5.298 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -3.731 -1.663 6.810 1.00 0.00 O ATOM 0 H GLU A 108 -5.645 -5.674 4.143 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.597 -3.748 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.413 -4.218 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.566 -3.397 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.250 -1.608 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.174 -2.443 4.928 1.00 0.00 H new ATOM 1640 N GLU A 109 -3.845 -6.730 3.234 1.00 0.00 N ATOM 1641 CA GLU A 109 -2.994 -7.903 3.081 1.00 0.00 C ATOM 1642 C GLU A 109 -2.849 -8.308 1.615 1.00 0.00 C ATOM 1643 O GLU A 109 -1.760 -8.664 1.169 1.00 0.00 O ATOM 1644 CB GLU A 109 -3.537 -9.074 3.903 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.014 -8.682 5.299 1.00 0.00 C ATOM 1646 CD GLU A 109 -3.059 -7.757 6.027 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -1.902 -8.149 6.264 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -3.465 -6.625 6.364 1.00 0.00 O ATOM 0 H GLU A 109 -4.669 -6.881 3.816 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.004 -7.639 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.365 -9.532 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.759 -9.832 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.987 -8.197 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.156 -9.585 5.893 1.00 0.00 H new ATOM 1655 N LEU A 110 -3.939 -8.210 0.865 1.00 0.00 N ATOM 1656 CA LEU A 110 -3.955 -8.634 -0.535 1.00 0.00 C ATOM 1657 C LEU A 110 -3.143 -7.693 -1.422 1.00 0.00 C ATOM 1658 O LEU A 110 -2.719 -8.074 -2.515 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.392 -8.733 -1.067 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.237 -9.882 -0.506 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.475 -11.193 -0.575 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.684 -9.590 0.918 1.00 0.00 C ATOM 0 H LEU A 110 -4.828 -7.840 1.201 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.494 -9.621 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.903 -7.794 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.351 -8.834 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.130 -9.974 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.093 -11.995 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.225 -11.414 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.559 -11.112 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.282 -10.422 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.809 -9.459 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.282 -8.679 0.932 1.00 0.00 H new ATOM 1674 N LEU A 111 -2.918 -6.471 -0.952 1.00 0.00 N ATOM 1675 CA LEU A 111 -2.162 -5.484 -1.714 1.00 0.00 C ATOM 1676 C LEU A 111 -0.730 -5.957 -1.930 1.00 0.00 C ATOM 1677 O LEU A 111 -0.145 -5.747 -2.994 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.170 -4.135 -0.993 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.551 -3.492 -0.843 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -3.472 -2.247 0.023 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.123 -3.148 -2.210 1.00 0.00 C ATOM 0 H LEU A 111 -3.249 -6.140 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.638 -5.364 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.737 -4.267 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.522 -3.446 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.212 -4.208 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.464 -1.805 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.099 -2.515 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.796 -1.526 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.105 -2.691 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.458 -2.449 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.216 -4.057 -2.805 1.00 0.00 H new ATOM 1693 N ARG A 112 -0.179 -6.608 -0.915 1.00 0.00 N ATOM 1694 CA ARG A 112 1.154 -7.177 -1.004 1.00 0.00 C ATOM 1695 C ARG A 112 1.157 -8.626 -0.545 1.00 0.00 C ATOM 1696 O ARG A 112 1.946 -9.030 0.309 1.00 0.00 O ATOM 1697 CB ARG A 112 2.164 -6.344 -0.213 1.00 0.00 C ATOM 1698 CG ARG A 112 1.581 -5.559 0.957 1.00 0.00 C ATOM 1699 CD ARG A 112 1.173 -6.457 2.113 1.00 0.00 C ATOM 1700 NE ARG A 112 0.530 -5.694 3.185 1.00 0.00 N ATOM 1701 CZ ARG A 112 -0.107 -6.250 4.217 1.00 0.00 C ATOM 1702 NH1 ARG A 112 -0.095 -7.563 4.380 1.00 0.00 N ATOM 1703 NH2 ARG A 112 -0.727 -5.490 5.108 1.00 0.00 N ATOM 0 H ARG A 112 -0.639 -6.754 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 112 1.458 -7.157 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.941 -7.008 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.647 -5.644 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 112 2.316 -4.834 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.713 -4.995 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.491 -7.227 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.052 -6.968 2.506 1.00 0.00 H new ATOM 0 HE ARG A 112 0.572 -4.676 3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.403 -8.155 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.584 -7.983 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.719 -4.475 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.213 -5.920 5.895 1.00 0.00 H new ATOM 1717 N ALA A 113 0.253 -9.387 -1.124 1.00 0.00 N ATOM 1718 CA ALA A 113 0.152 -10.813 -0.866 1.00 0.00 C ATOM 1719 C ALA A 113 0.812 -11.589 -1.999 1.00 0.00 C ATOM 1720 O ALA A 113 1.456 -10.996 -2.867 1.00 0.00 O ATOM 1721 CB ALA A 113 -1.304 -11.211 -0.726 1.00 0.00 C ATOM 0 H ALA A 113 -0.436 -9.036 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 113 0.667 -11.049 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.372 -12.282 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.753 -10.664 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.836 -10.974 -1.647 1.00 0.00 H new ATOM 1727 N GLN A 114 0.650 -12.904 -2.008 1.00 0.00 N ATOM 1728 CA GLN A 114 1.242 -13.712 -3.059 1.00 0.00 C ATOM 1729 C GLN A 114 0.245 -13.995 -4.165 1.00 0.00 C ATOM 1730 O GLN A 114 -0.944 -13.685 -4.049 1.00 0.00 O ATOM 1731 CB GLN A 114 1.809 -15.017 -2.508 1.00 0.00 C ATOM 1732 CG GLN A 114 3.019 -14.798 -1.625 1.00 0.00 C ATOM 1733 CD GLN A 114 3.601 -16.084 -1.078 1.00 0.00 C ATOM 1734 OE1 GLN A 114 4.507 -16.669 -1.668 1.00 0.00 O ATOM 1735 NE2 GLN A 114 3.083 -16.539 0.048 1.00 0.00 N ATOM 0 H GLN A 114 0.121 -13.426 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 114 2.066 -13.136 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.036 -15.533 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.082 -15.669 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.786 -14.274 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.741 -14.150 -0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.332 -16.025 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.434 -17.405 0.458 1.00 0.00 H new ATOM 1744 N GLU A 115 0.763 -14.601 -5.221 1.00 0.00 N ATOM 1745 CA GLU A 115 0.027 -14.840 -6.464 1.00 0.00 C ATOM 1746 C GLU A 115 -0.277 -13.516 -7.159 1.00 0.00 C ATOM 1747 O GLU A 115 -0.920 -12.626 -6.599 1.00 0.00 O ATOM 1748 CB GLU A 115 -1.263 -15.629 -6.224 1.00 0.00 C ATOM 1749 CG GLU A 115 -1.943 -16.090 -7.505 1.00 0.00 C ATOM 1750 CD GLU A 115 -3.232 -16.839 -7.246 1.00 0.00 C ATOM 1751 OE1 GLU A 115 -3.168 -18.023 -6.849 1.00 0.00 O ATOM 1752 OE2 GLU A 115 -4.315 -16.248 -7.436 1.00 0.00 O ATOM 0 H GLU A 115 1.722 -14.948 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 115 0.661 -15.446 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.037 -16.500 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.958 -15.010 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.151 -15.224 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.261 -16.731 -8.063 1.00 0.00 H new ATOM 1759 N ALA A 116 0.180 -13.403 -8.390 1.00 0.00 N ATOM 1760 CA ALA A 116 0.132 -12.142 -9.110 1.00 0.00 C ATOM 1761 C ALA A 116 -1.053 -12.076 -10.064 1.00 0.00 C ATOM 1762 O ALA A 116 -1.131 -12.837 -11.031 1.00 0.00 O ATOM 1763 CB ALA A 116 1.432 -11.929 -9.870 1.00 0.00 C ATOM 0 H ALA A 116 0.592 -14.173 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 116 0.005 -11.346 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.388 -10.982 -10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 116 2.265 -11.910 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 116 1.575 -12.743 -10.581 1.00 0.00 H new ATOM 1769 N PRO A 117 -2.010 -11.185 -9.782 1.00 0.00 N ATOM 1770 CA PRO A 117 -3.104 -10.882 -10.686 1.00 0.00 C ATOM 1771 C PRO A 117 -2.760 -9.710 -11.605 1.00 0.00 C ATOM 1772 O PRO A 117 -2.456 -8.611 -11.135 1.00 0.00 O ATOM 1773 CB PRO A 117 -4.235 -10.511 -9.728 1.00 0.00 C ATOM 1774 CG PRO A 117 -3.566 -9.967 -8.502 1.00 0.00 C ATOM 1775 CD PRO A 117 -2.117 -10.406 -8.539 1.00 0.00 C ATOM 0 HA PRO A 117 -3.350 -11.707 -11.354 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.898 -9.770 -10.174 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.846 -11.381 -9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.636 -8.880 -8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.056 -10.338 -7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -1.441 -9.551 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -1.861 -11.008 -7.668 1.00 0.00 H new ATOM 1783 N GLY A 118 -2.779 -9.946 -12.906 1.00 0.00 N ATOM 1784 CA GLY A 118 -2.465 -8.890 -13.843 1.00 0.00 C ATOM 1785 C GLY A 118 -2.479 -9.368 -15.275 1.00 0.00 C ATOM 1786 O GLY A 118 -1.601 -10.125 -15.693 1.00 0.00 O ATOM 0 H GLY A 118 -3.005 -10.846 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.184 -8.079 -13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.482 -8.481 -13.609 1.00 0.00 H new ATOM 1790 N GLN A 119 -3.479 -8.940 -16.023 1.00 0.00 N ATOM 1791 CA GLN A 119 -3.601 -9.311 -17.422 1.00 0.00 C ATOM 1792 C GLN A 119 -2.963 -8.250 -18.307 1.00 0.00 C ATOM 1793 O GLN A 119 -3.491 -7.144 -18.444 1.00 0.00 O ATOM 1794 CB GLN A 119 -5.074 -9.498 -17.798 1.00 0.00 C ATOM 1795 CG GLN A 119 -5.637 -10.880 -17.481 1.00 0.00 C ATOM 1796 CD GLN A 119 -5.395 -11.336 -16.052 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -6.174 -11.031 -15.149 1.00 0.00 O ATOM 1798 NE2 GLN A 119 -4.333 -12.102 -15.846 1.00 0.00 N ATOM 0 H GLN A 119 -4.223 -8.331 -15.683 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.080 -10.256 -17.577 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.668 -8.749 -17.274 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.191 -9.308 -18.865 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -6.710 -10.876 -17.673 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.194 -11.606 -18.163 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.712 -12.332 -16.622 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -4.137 -12.462 -14.912 1.00 0.00 H new ATOM 1807 N ALA A 120 -1.823 -8.590 -18.889 1.00 0.00 N ATOM 1808 CA ALA A 120 -1.087 -7.681 -19.757 1.00 0.00 C ATOM 1809 C ALA A 120 -0.042 -8.450 -20.553 1.00 0.00 C ATOM 1810 O ALA A 120 1.108 -8.554 -20.085 1.00 0.00 O ATOM 1811 CB ALA A 120 -0.429 -6.576 -18.943 1.00 0.00 C ATOM 1812 OXT ALA A 120 -0.386 -8.983 -21.626 1.00 0.00 O ATOM 0 H ALA A 120 -1.382 -9.502 -18.774 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.789 -7.220 -20.452 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.116 -5.908 -19.610 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.194 -6.012 -18.410 1.00 0.00 H new ATOM 0 HB3 ALA A 120 0.263 -7.016 -18.225 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -16.606 23.864 3.681 1.00 0.00 N ATOM 1820 CA GLN B 1 -17.356 22.594 3.558 1.00 0.00 C ATOM 1821 C GLN B 1 -16.575 21.617 2.685 1.00 0.00 C ATOM 1822 O GLN B 1 -16.020 20.631 3.175 1.00 0.00 O ATOM 1823 CB GLN B 1 -18.738 22.862 2.953 1.00 0.00 C ATOM 1824 CG GLN B 1 -19.859 22.070 3.601 1.00 0.00 C ATOM 1825 CD GLN B 1 -19.739 20.574 3.390 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -19.243 20.113 2.362 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -20.181 19.811 4.370 1.00 0.00 N ATOM 0 H1 GLN B 1 -17.142 24.527 4.277 1.00 0.00 H new ATOM 0 H2 GLN B 1 -15.679 23.679 4.115 1.00 0.00 H new ATOM 0 H3 GLN B 1 -16.469 24.279 2.737 1.00 0.00 H new ATOM 0 HA GLN B 1 -17.487 22.155 4.547 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -18.961 23.925 3.039 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -18.709 22.628 1.889 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -19.870 22.279 4.671 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -20.814 22.411 3.200 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -20.585 20.236 5.205 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -20.119 18.796 4.294 1.00 0.00 H new ATOM 1838 N ASP B 2 -16.534 21.903 1.393 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.753 21.114 0.457 1.00 0.00 C ATOM 1840 C ASP B 2 -14.288 21.524 0.541 1.00 0.00 C ATOM 1841 O ASP B 2 -13.944 22.691 0.333 1.00 0.00 O ATOM 1842 CB ASP B 2 -16.285 21.304 -0.964 1.00 0.00 C ATOM 1843 CG ASP B 2 -15.439 20.606 -2.008 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -15.543 19.368 -2.142 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -14.676 21.299 -2.719 1.00 0.00 O ATOM 0 H ASP B 2 -17.037 22.682 0.968 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.838 20.059 0.716 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -17.306 20.925 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -16.328 22.369 -1.191 1.00 0.00 H new ATOM 1850 N THR B 3 -13.441 20.573 0.883 1.00 0.00 N ATOM 1851 CA THR B 3 -12.025 20.836 1.062 1.00 0.00 C ATOM 1852 C THR B 3 -11.209 20.216 -0.067 1.00 0.00 C ATOM 1853 O THR B 3 -11.146 18.991 -0.196 1.00 0.00 O ATOM 1854 CB THR B 3 -11.548 20.282 2.417 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.157 19.004 2.654 1.00 0.00 O ATOM 1856 CG2 THR B 3 -11.891 21.234 3.555 1.00 0.00 C ATOM 0 H THR B 3 -13.711 19.603 1.044 1.00 0.00 H new ATOM 0 HA THR B 3 -11.876 21.916 1.043 1.00 0.00 H new ATOM 0 HB THR B 3 -10.464 20.175 2.380 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.871 19.100 3.318 1.00 0.00 H new ATOM 0 HG21 THR B 3 -11.541 20.814 4.498 1.00 0.00 H new ATOM 0 HG22 THR B 3 -11.407 22.195 3.384 1.00 0.00 H new ATOM 0 HG23 THR B 3 -12.971 21.375 3.599 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.598 21.060 -0.890 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.843 20.579 -2.035 1.00 0.00 C ATOM 1866 C ARG B 4 -8.448 20.146 -1.611 1.00 0.00 C ATOM 1867 O ARG B 4 -7.949 20.548 -0.558 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.731 21.656 -3.113 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.561 21.080 -4.511 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.696 21.961 -5.395 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.272 21.795 -5.105 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.297 22.134 -5.949 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.587 22.641 -7.141 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.030 21.935 -5.609 1.00 0.00 N ATOM 0 H ARG B 4 -10.612 22.074 -0.785 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.379 19.724 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.624 22.281 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.883 22.303 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -9.114 20.088 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -10.541 20.956 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.884 21.721 -6.441 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.976 23.005 -5.252 1.00 0.00 H new ATOM 0 HE ARG B 4 -7.009 21.396 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.560 22.773 -7.416 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -5.837 22.898 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -4.804 21.523 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -4.282 22.194 -6.253 1.00 0.00 H new ATOM 1888 N LEU B 5 -7.834 19.313 -2.428 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.478 18.870 -2.196 1.00 0.00 C ATOM 1890 C LEU B 5 -5.631 19.148 -3.426 1.00 0.00 C ATOM 1891 O LEU B 5 -5.599 18.293 -4.329 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.472 17.381 -1.860 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.067 17.035 -0.495 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -7.138 15.534 -0.312 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -6.253 17.670 0.621 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.019 20.233 -3.491 1.00 0.00 O ATOM 0 H LEU B 5 -8.262 18.926 -3.269 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.055 19.416 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.027 16.846 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.445 17.018 -1.897 1.00 0.00 H new ATOM 0 HG LEU B 5 -8.080 17.436 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -7.564 15.306 0.665 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -7.766 15.102 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.135 15.112 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -6.693 17.412 1.584 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -5.228 17.301 0.579 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -6.254 18.753 0.501 1.00 0.00 H new TER 1908 LEU B 5