USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 86 LYS NZ :NH3+ -177:sc= 0.18 (180deg=-0.0148) USER MOD Set 1.2: A 89 THR OG1 : rot -69:sc= 1.07 USER MOD Set 2.1: A 49 THR OG1 : rot 165:sc= 0.992 USER MOD Set 2.2: A 67 TYR OH : rot -14:sc= 0.994 USER MOD Set 2.3: A 78 THR OG1 : rot 48:sc= 2.1 USER MOD Set 2.4: A 105 HEC O2D : rot 167:sc= 0.982 USER MOD Set 3.1: A 47 THR OG1 : rot 6:sc= 0.544 USER MOD Set 3.2: A 48 TYR OH : rot -6:sc= 0.762 USER MOD Set 4.1: A 19 THR OG1 : rot -67:sc= 1.11 USER MOD Set 4.2: A 26 HIS : no HD1:sc= -0.53 K(o=0.018,f=0.86) USER MOD Set 4.3: A 31 ASN : amide:sc= -0.564 K(o=0.018,f=-1.8) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 12 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.829 (180deg=-1.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0634) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= 0.0633 (180deg=-1.13!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 90:sc= 0.548 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -124:sc= 1.05 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 52 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.79) USER MOD Single : A 54 ASN : amide:sc= -0.0942 X(o=-0.094,f=-0.094) USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.0146) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 23:sc= 1.13 USER MOD Single : A 65 MET CE :methyl 171:sc= -0.101 (180deg=-0.409) USER MOD Single : A 70 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.7) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0.882 (180deg=0.583) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00561) USER MOD Single : A 74 TYR OH : rot -15:sc= -0.264 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 162:sc= -0.0197 (180deg=-0.0765) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -5:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ 124:sc= 1.1 (180deg=0.409) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 1.12 (180deg=1.09) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HEC O2A : rot -79:sc= 2.46 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.183 10.185 5.206 1.00 0.00 N ATOM 2 CA GLY A 1 -10.077 10.205 4.239 1.00 0.00 C ATOM 3 C GLY A 1 -9.629 11.630 3.957 1.00 0.00 C ATOM 4 O GLY A 1 -9.957 12.225 2.936 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.060 9.384 5.858 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.188 11.074 5.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.085 10.083 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.239 9.626 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.391 9.728 3.311 1.00 0.00 H new ATOM 10 N ASP A 2 -8.931 12.174 4.952 1.00 0.00 N ATOM 11 CA ASP A 2 -8.681 13.587 5.194 1.00 0.00 C ATOM 12 C ASP A 2 -7.334 14.042 4.622 1.00 0.00 C ATOM 13 O ASP A 2 -6.953 15.200 4.745 1.00 0.00 O ATOM 14 CB ASP A 2 -8.706 13.730 6.720 1.00 0.00 C ATOM 15 CG ASP A 2 -8.559 15.157 7.214 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.392 15.989 6.798 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.650 15.356 8.050 1.00 0.00 O ATOM 0 H ASP A 2 -8.493 11.589 5.664 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.426 14.213 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.644 13.322 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.903 13.126 7.143 1.00 0.00 H new ATOM 22 N VAL A 3 -6.574 13.112 4.033 1.00 0.00 N ATOM 23 CA VAL A 3 -5.273 13.273 3.408 1.00 0.00 C ATOM 24 C VAL A 3 -4.156 13.530 4.429 1.00 0.00 C ATOM 25 O VAL A 3 -3.047 13.021 4.272 1.00 0.00 O ATOM 26 CB VAL A 3 -5.357 14.301 2.267 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.087 14.313 1.406 1.00 0.00 C ATOM 28 CG2 VAL A 3 -6.550 14.086 1.320 1.00 0.00 C ATOM 0 H VAL A 3 -6.890 12.144 3.982 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.983 12.329 2.947 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.484 15.252 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.192 15.054 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.228 14.566 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.937 13.328 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.540 14.850 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.477 13.100 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.480 14.155 1.885 1.00 0.00 H new ATOM 38 N GLU A 4 -4.462 14.253 5.505 1.00 0.00 N ATOM 39 CA GLU A 4 -3.581 14.463 6.633 1.00 0.00 C ATOM 40 C GLU A 4 -3.595 13.222 7.514 1.00 0.00 C ATOM 41 O GLU A 4 -2.565 12.587 7.738 1.00 0.00 O ATOM 42 CB GLU A 4 -4.063 15.692 7.419 1.00 0.00 C ATOM 43 CG GLU A 4 -3.727 16.997 6.686 1.00 0.00 C ATOM 44 CD GLU A 4 -2.366 17.542 7.104 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.404 16.740 7.118 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.308 18.746 7.426 1.00 0.00 O ATOM 0 H GLU A 4 -5.362 14.721 5.611 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.560 14.639 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.140 15.627 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.600 15.698 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.735 16.823 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.497 17.740 6.894 1.00 0.00 H new ATOM 53 N LYS A 5 -4.775 12.863 8.022 1.00 0.00 N ATOM 54 CA LYS A 5 -4.857 11.827 9.046 1.00 0.00 C ATOM 55 C LYS A 5 -4.434 10.482 8.476 1.00 0.00 C ATOM 56 O LYS A 5 -3.806 9.704 9.187 1.00 0.00 O ATOM 57 CB LYS A 5 -6.250 11.753 9.683 1.00 0.00 C ATOM 58 CG LYS A 5 -6.515 12.985 10.560 1.00 0.00 C ATOM 59 CD LYS A 5 -7.578 12.680 11.626 1.00 0.00 C ATOM 60 CE LYS A 5 -7.616 13.814 12.661 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.572 13.545 13.755 1.00 0.00 N ATOM 0 H LYS A 5 -5.670 13.267 7.746 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.164 12.096 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.008 11.686 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.332 10.848 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.589 13.299 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.847 13.815 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.556 12.570 11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.352 11.734 12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.619 13.954 13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.888 14.746 12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.562 14.338 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.529 13.437 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.299 12.670 14.247 1.00 0.00 H new ATOM 75 N GLY A 6 -4.706 10.229 7.192 1.00 0.00 N ATOM 76 CA GLY A 6 -4.222 9.020 6.534 1.00 0.00 C ATOM 77 C GLY A 6 -2.735 8.816 6.792 1.00 0.00 C ATOM 78 O GLY A 6 -2.322 7.725 7.176 1.00 0.00 O ATOM 0 H GLY A 6 -5.256 10.845 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.779 8.156 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.403 9.088 5.461 1.00 0.00 H new ATOM 82 N LYS A 7 -1.924 9.863 6.626 1.00 0.00 N ATOM 83 CA LYS A 7 -0.481 9.720 6.728 1.00 0.00 C ATOM 84 C LYS A 7 -0.048 9.410 8.154 1.00 0.00 C ATOM 85 O LYS A 7 0.891 8.645 8.380 1.00 0.00 O ATOM 86 CB LYS A 7 0.225 10.889 6.039 1.00 0.00 C ATOM 87 CG LYS A 7 0.522 12.069 6.948 1.00 0.00 C ATOM 88 CD LYS A 7 0.474 13.356 6.109 1.00 0.00 C ATOM 89 CE LYS A 7 0.719 14.633 6.919 1.00 0.00 C ATOM 90 NZ LYS A 7 2.131 14.807 7.310 1.00 0.00 N ATOM 0 H LYS A 7 -2.244 10.810 6.422 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.152 8.841 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.162 10.531 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.393 11.232 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.207 12.117 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.503 11.954 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.221 13.290 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.500 13.426 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.402 15.495 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.100 14.612 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.234 15.687 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.431 14.001 7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.724 14.856 6.457 1.00 0.00 H new ATOM 104 N LYS A 8 -0.776 9.967 9.118 1.00 0.00 N ATOM 105 CA LYS A 8 -0.472 9.773 10.516 1.00 0.00 C ATOM 106 C LYS A 8 -0.789 8.333 10.893 1.00 0.00 C ATOM 107 O LYS A 8 0.040 7.640 11.478 1.00 0.00 O ATOM 108 CB LYS A 8 -1.269 10.782 11.354 1.00 0.00 C ATOM 109 CG LYS A 8 -0.993 10.715 12.864 1.00 0.00 C ATOM 110 CD LYS A 8 0.362 11.310 13.275 1.00 0.00 C ATOM 111 CE LYS A 8 1.563 10.381 12.994 1.00 0.00 C ATOM 112 NZ LYS A 8 2.601 10.432 14.044 1.00 0.00 N ATOM 0 H LYS A 8 -1.587 10.561 8.944 1.00 0.00 H new ATOM 0 HA LYS A 8 0.586 9.947 10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.043 11.788 11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.333 10.616 11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.786 11.244 13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.034 9.674 13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.511 12.251 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.337 11.544 14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.205 9.356 12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.009 10.655 12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.378 9.787 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.968 11.402 14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.189 10.143 14.954 1.00 0.00 H new ATOM 126 N ILE A 9 -2.004 7.899 10.566 1.00 0.00 N ATOM 127 CA ILE A 9 -2.532 6.608 10.941 1.00 0.00 C ATOM 128 C ILE A 9 -1.703 5.534 10.239 1.00 0.00 C ATOM 129 O ILE A 9 -1.276 4.564 10.861 1.00 0.00 O ATOM 130 CB ILE A 9 -4.020 6.602 10.563 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.800 7.587 11.458 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.603 5.202 10.722 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.230 7.835 10.961 1.00 0.00 C ATOM 0 H ILE A 9 -2.659 8.457 10.018 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.465 6.401 12.009 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.111 6.911 9.522 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.836 7.197 12.475 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.265 8.536 11.499 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.659 5.214 10.450 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.069 4.509 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.499 4.880 11.758 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.731 8.536 11.629 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.198 8.253 9.955 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.778 6.893 10.946 1.00 0.00 H new ATOM 145 N PHE A 10 -1.430 5.748 8.952 1.00 0.00 N ATOM 146 CA PHE A 10 -0.491 4.952 8.185 1.00 0.00 C ATOM 147 C PHE A 10 0.811 4.794 8.950 1.00 0.00 C ATOM 148 O PHE A 10 1.149 3.690 9.362 1.00 0.00 O ATOM 149 CB PHE A 10 -0.248 5.650 6.834 1.00 0.00 C ATOM 150 CG PHE A 10 0.925 5.139 6.027 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.767 4.043 5.180 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.208 5.666 6.228 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.892 3.416 4.627 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.341 5.018 5.732 1.00 0.00 C ATOM 155 CZ PHE A 10 3.180 3.890 4.914 1.00 0.00 C ATOM 0 H PHE A 10 -1.866 6.494 8.410 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.899 3.956 8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.150 5.553 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.101 6.714 7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.223 3.677 4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.322 6.590 6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.766 2.563 3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.329 5.381 5.975 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.045 3.388 4.507 1.00 0.00 H new ATOM 165 N VAL A 11 1.547 5.884 9.170 1.00 0.00 N ATOM 166 CA VAL A 11 2.829 5.792 9.832 1.00 0.00 C ATOM 167 C VAL A 11 2.677 5.056 11.172 1.00 0.00 C ATOM 168 O VAL A 11 3.532 4.250 11.532 1.00 0.00 O ATOM 169 CB VAL A 11 3.467 7.192 9.941 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.471 7.259 11.090 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.166 7.644 8.651 1.00 0.00 C ATOM 0 H VAL A 11 1.273 6.828 8.899 1.00 0.00 H new ATOM 0 HA VAL A 11 3.524 5.194 9.243 1.00 0.00 H new ATOM 0 HB VAL A 11 2.635 7.870 10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.902 8.259 11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.965 7.036 12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.264 6.530 10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.593 8.636 8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.960 6.940 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.442 7.677 7.837 1.00 0.00 H new ATOM 181 N GLN A 12 1.571 5.290 11.885 1.00 0.00 N ATOM 182 CA GLN A 12 1.265 4.581 13.116 1.00 0.00 C ATOM 183 C GLN A 12 1.292 3.051 12.949 1.00 0.00 C ATOM 184 O GLN A 12 1.756 2.376 13.865 1.00 0.00 O ATOM 185 CB GLN A 12 -0.086 5.051 13.691 1.00 0.00 C ATOM 186 CG GLN A 12 -0.011 5.412 15.180 1.00 0.00 C ATOM 187 CD GLN A 12 0.274 6.898 15.423 1.00 0.00 C ATOM 188 OE1 GLN A 12 1.190 7.492 14.855 1.00 0.00 O ATOM 189 NE2 GLN A 12 -0.526 7.530 16.278 1.00 0.00 N ATOM 0 H GLN A 12 0.867 5.978 11.619 1.00 0.00 H new ATOM 0 HA GLN A 12 2.055 4.826 13.826 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.431 5.919 13.129 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.828 4.265 13.550 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.952 5.145 15.661 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.769 4.816 15.654 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.281 7.023 16.740 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.385 8.522 16.471 1.00 0.00 H new ATOM 198 N LYS A 13 0.759 2.486 11.850 1.00 0.00 N ATOM 199 CA LYS A 13 0.572 1.036 11.747 1.00 0.00 C ATOM 200 C LYS A 13 0.811 0.438 10.347 1.00 0.00 C ATOM 201 O LYS A 13 0.290 -0.633 10.035 1.00 0.00 O ATOM 202 CB LYS A 13 -0.776 0.648 12.384 1.00 0.00 C ATOM 203 CG LYS A 13 -1.970 1.563 12.089 1.00 0.00 C ATOM 204 CD LYS A 13 -2.512 1.332 10.678 1.00 0.00 C ATOM 205 CE LYS A 13 -3.856 0.596 10.686 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.876 -0.667 11.447 1.00 0.00 N ATOM 0 H LYS A 13 0.454 3.010 11.030 1.00 0.00 H new ATOM 0 HA LYS A 13 1.371 0.565 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.030 -0.359 12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.641 0.604 13.465 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.759 1.381 12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.668 2.605 12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.628 2.291 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.788 0.756 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.614 1.262 11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.143 0.385 9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.757 -1.181 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.062 -1.252 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.823 -0.460 12.465 1.00 0.00 H new ATOM 220 N CYS A 14 1.634 1.098 9.530 1.00 0.00 N ATOM 221 CA CYS A 14 2.091 0.628 8.224 1.00 0.00 C ATOM 222 C CYS A 14 3.611 0.815 8.121 1.00 0.00 C ATOM 223 O CYS A 14 4.310 -0.094 7.687 1.00 0.00 O ATOM 224 CB CYS A 14 1.435 1.383 7.094 1.00 0.00 C ATOM 225 SG CYS A 14 -0.381 1.476 7.085 1.00 0.00 S ATOM 0 H CYS A 14 2.015 2.013 9.772 1.00 0.00 H new ATOM 0 HA CYS A 14 1.820 -0.424 8.137 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.823 2.401 7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.753 0.927 6.156 1.00 0.00 H new ATOM 230 N ALA A 15 4.136 1.986 8.516 1.00 0.00 N ATOM 231 CA ALA A 15 5.551 2.361 8.382 1.00 0.00 C ATOM 232 C ALA A 15 6.538 1.338 8.923 1.00 0.00 C ATOM 233 O ALA A 15 7.628 1.216 8.372 1.00 0.00 O ATOM 234 CB ALA A 15 5.830 3.698 9.049 1.00 0.00 C ATOM 0 H ALA A 15 3.572 2.717 8.949 1.00 0.00 H new ATOM 0 HA ALA A 15 5.709 2.419 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.884 3.949 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.220 4.472 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.586 3.633 10.109 1.00 0.00 H new ATOM 240 N GLN A 16 6.180 0.613 9.988 1.00 0.00 N ATOM 241 CA GLN A 16 6.978 -0.499 10.485 1.00 0.00 C ATOM 242 C GLN A 16 7.474 -1.381 9.333 1.00 0.00 C ATOM 243 O GLN A 16 8.618 -1.829 9.349 1.00 0.00 O ATOM 244 CB GLN A 16 6.143 -1.321 11.477 1.00 0.00 C ATOM 245 CG GLN A 16 6.412 -0.905 12.928 1.00 0.00 C ATOM 246 CD GLN A 16 5.732 -1.847 13.915 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.805 -1.463 14.619 1.00 0.00 O ATOM 248 NE2 GLN A 16 6.187 -3.096 13.979 1.00 0.00 N ATOM 0 H GLN A 16 5.330 0.785 10.525 1.00 0.00 H new ATOM 0 HA GLN A 16 7.856 -0.103 10.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.084 -1.195 11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.371 -2.380 11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.486 -0.897 13.112 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.054 0.112 13.088 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.960 -3.388 13.381 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.763 -3.761 14.626 1.00 0.00 H new ATOM 257 N CYS A 17 6.602 -1.616 8.350 1.00 0.00 N ATOM 258 CA CYS A 17 6.903 -2.353 7.140 1.00 0.00 C ATOM 259 C CYS A 17 7.141 -1.420 5.942 1.00 0.00 C ATOM 260 O CYS A 17 7.866 -1.809 5.039 1.00 0.00 O ATOM 261 CB CYS A 17 5.785 -3.316 6.846 1.00 0.00 C ATOM 262 SG CYS A 17 5.558 -4.553 8.161 1.00 0.00 S ATOM 0 H CYS A 17 5.638 -1.284 8.384 1.00 0.00 H new ATOM 0 HA CYS A 17 7.828 -2.906 7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.857 -2.759 6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.989 -3.826 5.905 1.00 0.00 H new ATOM 267 N HIS A 18 6.541 -0.222 5.882 1.00 0.00 N ATOM 268 CA HIS A 18 6.558 0.620 4.682 1.00 0.00 C ATOM 269 C HIS A 18 7.106 2.014 4.960 1.00 0.00 C ATOM 270 O HIS A 18 6.334 2.957 5.116 1.00 0.00 O ATOM 271 CB HIS A 18 5.137 0.754 4.134 1.00 0.00 C ATOM 272 CG HIS A 18 4.629 -0.504 3.510 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.913 -0.923 2.234 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.615 -1.274 3.997 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.086 -1.939 1.962 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.292 -2.213 3.004 1.00 0.00 N ATOM 0 H HIS A 18 6.031 0.188 6.665 1.00 0.00 H new ATOM 0 HA HIS A 18 7.214 0.137 3.957 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.468 1.047 4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.113 1.555 3.395 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.621 -0.533 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.147 -1.180 4.966 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.062 -2.470 1.022 1.00 0.00 H new ATOM 284 N THR A 19 8.424 2.196 4.961 1.00 0.00 N ATOM 285 CA THR A 19 8.992 3.502 5.264 1.00 0.00 C ATOM 286 C THR A 19 8.965 4.466 4.057 1.00 0.00 C ATOM 287 O THR A 19 9.985 5.024 3.656 1.00 0.00 O ATOM 288 CB THR A 19 10.358 3.323 5.941 1.00 0.00 C ATOM 289 OG1 THR A 19 11.335 2.680 5.134 1.00 0.00 O ATOM 290 CG2 THR A 19 10.239 2.545 7.253 1.00 0.00 C ATOM 0 H THR A 19 9.108 1.467 4.758 1.00 0.00 H new ATOM 0 HA THR A 19 8.357 4.015 5.986 1.00 0.00 H new ATOM 0 HB THR A 19 10.696 4.343 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.072 1.748 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.226 2.438 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.584 3.084 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.822 1.558 7.054 1.00 0.00 H new ATOM 298 N VAL A 20 7.777 4.707 3.487 1.00 0.00 N ATOM 299 CA VAL A 20 7.557 5.658 2.416 1.00 0.00 C ATOM 300 C VAL A 20 7.623 7.087 2.966 1.00 0.00 C ATOM 301 O VAL A 20 6.627 7.621 3.442 1.00 0.00 O ATOM 302 CB VAL A 20 6.238 5.328 1.696 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.962 5.518 2.523 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.141 6.140 0.406 1.00 0.00 C ATOM 0 H VAL A 20 6.925 4.226 3.775 1.00 0.00 H new ATOM 0 HA VAL A 20 8.345 5.585 1.667 1.00 0.00 H new ATOM 0 HB VAL A 20 6.286 4.258 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.094 5.257 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.999 4.874 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.885 6.558 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.206 5.905 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.168 7.204 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.980 5.892 -0.244 1.00 0.00 H new ATOM 314 N GLU A 21 8.799 7.713 2.895 1.00 0.00 N ATOM 315 CA GLU A 21 8.979 9.122 3.220 1.00 0.00 C ATOM 316 C GLU A 21 10.269 9.593 2.538 1.00 0.00 C ATOM 317 O GLU A 21 11.059 10.348 3.097 1.00 0.00 O ATOM 318 CB GLU A 21 8.947 9.328 4.751 1.00 0.00 C ATOM 319 CG GLU A 21 8.245 10.644 5.129 1.00 0.00 C ATOM 320 CD GLU A 21 8.039 10.808 6.634 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.896 9.771 7.319 1.00 0.00 O ATOM 322 OE2 GLU A 21 8.002 11.977 7.075 1.00 0.00 O ATOM 0 H GLU A 21 9.660 7.248 2.607 1.00 0.00 H new ATOM 0 HA GLU A 21 8.163 9.738 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.431 8.491 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.965 9.333 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.834 11.482 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.277 10.688 4.630 1.00 0.00 H new ATOM 329 N LYS A 22 10.482 9.085 1.314 1.00 0.00 N ATOM 330 CA LYS A 22 11.626 9.361 0.455 1.00 0.00 C ATOM 331 C LYS A 22 12.963 9.382 1.209 1.00 0.00 C ATOM 332 O LYS A 22 13.777 10.287 1.045 1.00 0.00 O ATOM 333 CB LYS A 22 11.356 10.637 -0.348 1.00 0.00 C ATOM 334 CG LYS A 22 10.257 10.388 -1.388 1.00 0.00 C ATOM 335 CD LYS A 22 10.068 11.629 -2.269 1.00 0.00 C ATOM 336 CE LYS A 22 9.408 11.250 -3.602 1.00 0.00 C ATOM 337 NZ LYS A 22 8.965 12.449 -4.335 1.00 10.00 N ATOM 0 H LYS A 22 9.822 8.438 0.882 1.00 0.00 H new ATOM 0 HA LYS A 22 11.740 8.534 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.055 11.441 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.270 10.962 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.520 9.531 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.321 10.143 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.452 12.362 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.033 12.099 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.113 10.686 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.555 10.598 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.930 12.430 -4.439 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 9.244 13.301 -3.808 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 9.408 12.464 -5.276 1.00 10.00 H new ATOM 351 N GLY A 23 13.205 8.329 1.991 1.00 0.00 N ATOM 352 CA GLY A 23 14.441 8.143 2.731 1.00 0.00 C ATOM 353 C GLY A 23 14.276 6.950 3.663 1.00 0.00 C ATOM 354 O GLY A 23 14.452 7.065 4.874 1.00 0.00 O ATOM 0 H GLY A 23 12.534 7.573 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.271 7.975 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.678 9.040 3.303 1.00 0.00 H new ATOM 358 N GLY A 24 13.903 5.803 3.092 1.00 0.00 N ATOM 359 CA GLY A 24 13.528 4.612 3.822 1.00 0.00 C ATOM 360 C GLY A 24 13.999 3.380 3.063 1.00 0.00 C ATOM 361 O GLY A 24 14.719 3.490 2.072 1.00 0.00 O ATOM 0 H GLY A 24 13.855 5.684 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.970 4.629 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.447 4.579 3.954 1.00 0.00 H new ATOM 365 N LYS A 25 13.620 2.206 3.560 1.00 0.00 N ATOM 366 CA LYS A 25 13.974 0.909 3.032 1.00 0.00 C ATOM 367 C LYS A 25 12.770 -0.029 3.145 1.00 0.00 C ATOM 368 O LYS A 25 11.870 0.222 3.948 1.00 0.00 O ATOM 369 CB LYS A 25 15.196 0.396 3.791 1.00 0.00 C ATOM 370 CG LYS A 25 14.949 0.094 5.280 1.00 0.00 C ATOM 371 CD LYS A 25 15.976 0.768 6.200 1.00 0.00 C ATOM 372 CE LYS A 25 15.701 2.276 6.320 1.00 0.00 C ATOM 373 NZ LYS A 25 16.672 2.955 7.204 1.00 0.00 N ATOM 0 H LYS A 25 13.026 2.140 4.386 1.00 0.00 H new ATOM 0 HA LYS A 25 14.235 0.966 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.554 -0.512 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.993 1.136 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.948 0.429 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.979 -0.984 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.942 0.309 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.981 0.608 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.736 2.729 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.693 2.430 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.446 3.969 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.622 2.542 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.632 2.832 6.824 1.00 0.00 H new ATOM 387 N HIS A 26 12.765 -1.092 2.332 1.00 0.00 N ATOM 388 CA HIS A 26 11.618 -1.980 2.189 1.00 0.00 C ATOM 389 C HIS A 26 11.339 -2.702 3.514 1.00 0.00 C ATOM 390 O HIS A 26 10.315 -2.523 4.150 1.00 0.00 O ATOM 391 CB HIS A 26 11.842 -2.984 1.041 1.00 0.00 C ATOM 392 CG HIS A 26 12.428 -2.401 -0.224 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.744 -2.501 -0.620 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.761 -1.710 -1.200 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.864 -1.864 -1.799 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.682 -1.360 -2.188 1.00 0.00 N ATOM 0 H HIS A 26 13.563 -1.357 1.755 1.00 0.00 H new ATOM 0 HA HIS A 26 10.743 -1.382 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.502 -3.775 1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.888 -3.451 0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.707 -1.477 -1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.785 -1.771 -2.356 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.494 -0.827 -3.037 1.00 0.00 H new ATOM 404 N LYS A 27 12.278 -3.537 3.952 1.00 0.00 N ATOM 405 CA LYS A 27 12.296 -4.074 5.314 1.00 0.00 C ATOM 406 C LYS A 27 10.982 -4.776 5.706 1.00 0.00 C ATOM 407 O LYS A 27 10.562 -4.696 6.859 1.00 0.00 O ATOM 408 CB LYS A 27 12.653 -2.934 6.288 1.00 0.00 C ATOM 409 CG LYS A 27 13.715 -3.272 7.347 1.00 0.00 C ATOM 410 CD LYS A 27 13.295 -4.272 8.438 1.00 0.00 C ATOM 411 CE LYS A 27 13.531 -5.743 8.053 1.00 0.00 C ATOM 412 NZ LYS A 27 13.670 -6.612 9.242 1.00 0.00 N ATOM 0 H LYS A 27 13.051 -3.863 3.372 1.00 0.00 H new ATOM 0 HA LYS A 27 13.056 -4.854 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.004 -2.081 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.743 -2.619 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.592 -3.670 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.022 -2.345 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.847 -4.052 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.238 -4.129 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.700 -6.095 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.431 -5.818 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.828 -7.594 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.478 -6.292 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.802 -6.561 9.812 1.00 0.00 H new ATOM 426 N THR A 28 10.393 -5.534 4.775 1.00 0.00 N ATOM 427 CA THR A 28 9.174 -6.341 4.915 1.00 0.00 C ATOM 428 C THR A 28 7.936 -5.640 4.339 1.00 0.00 C ATOM 429 O THR A 28 6.860 -6.223 4.391 1.00 0.00 O ATOM 430 CB THR A 28 8.931 -6.919 6.334 1.00 0.00 C ATOM 431 OG1 THR A 28 10.153 -7.298 6.937 1.00 0.00 O ATOM 432 CG2 THR A 28 8.047 -8.175 6.349 1.00 0.00 C ATOM 0 H THR A 28 10.783 -5.605 3.835 1.00 0.00 H new ATOM 0 HA THR A 28 9.359 -7.221 4.298 1.00 0.00 H new ATOM 0 HB THR A 28 8.429 -6.115 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.525 -6.536 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.923 -8.520 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.071 -7.938 5.925 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.519 -8.959 5.757 1.00 0.00 H new ATOM 440 N GLY A 29 8.060 -4.465 3.713 1.00 0.00 N ATOM 441 CA GLY A 29 6.988 -3.883 2.914 1.00 0.00 C ATOM 442 C GLY A 29 7.622 -2.998 1.844 1.00 0.00 C ATOM 443 O GLY A 29 8.491 -2.200 2.168 1.00 0.00 O ATOM 0 H GLY A 29 8.906 -3.896 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.388 -4.667 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.318 -3.298 3.544 1.00 0.00 H new ATOM 447 N PRO A 30 7.291 -3.126 0.549 1.00 0.00 N ATOM 448 CA PRO A 30 7.901 -2.271 -0.452 1.00 0.00 C ATOM 449 C PRO A 30 7.629 -0.802 -0.120 1.00 0.00 C ATOM 450 O PRO A 30 6.466 -0.441 0.053 1.00 0.00 O ATOM 451 CB PRO A 30 7.274 -2.659 -1.796 1.00 0.00 C ATOM 452 CG PRO A 30 6.660 -4.037 -1.551 1.00 0.00 C ATOM 453 CD PRO A 30 6.370 -4.068 -0.053 1.00 0.00 C ATOM 0 HA PRO A 30 8.983 -2.397 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.518 -1.937 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.023 -2.694 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.749 -4.175 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.346 -4.834 -1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.336 -3.788 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.515 -5.069 0.352 1.00 0.00 H new ATOM 461 N ASN A 31 8.656 0.053 -0.019 1.00 0.00 N ATOM 462 CA ASN A 31 8.414 1.492 0.066 1.00 0.00 C ATOM 463 C ASN A 31 7.443 1.889 -1.044 1.00 0.00 C ATOM 464 O ASN A 31 7.688 1.584 -2.211 1.00 0.00 O ATOM 465 CB ASN A 31 9.684 2.330 -0.116 1.00 0.00 C ATOM 466 CG ASN A 31 10.851 1.875 0.738 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.969 2.231 1.903 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.734 1.087 0.135 1.00 0.00 N ATOM 0 H ASN A 31 9.638 -0.221 0.005 1.00 0.00 H new ATOM 0 HA ASN A 31 8.019 1.688 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.980 2.299 -1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.458 3.370 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.552 0.753 0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.594 0.816 -0.838 1.00 0.00 H new ATOM 475 N LEU A 32 6.350 2.557 -0.684 1.00 0.00 N ATOM 476 CA LEU A 32 5.252 2.864 -1.592 1.00 0.00 C ATOM 477 C LEU A 32 5.605 4.066 -2.481 1.00 0.00 C ATOM 478 O LEU A 32 4.879 5.055 -2.532 1.00 0.00 O ATOM 479 CB LEU A 32 3.953 3.084 -0.793 1.00 0.00 C ATOM 480 CG LEU A 32 3.622 1.959 0.206 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.418 2.362 1.058 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.303 0.640 -0.505 1.00 0.00 C ATOM 0 H LEU A 32 6.202 2.905 0.263 1.00 0.00 H new ATOM 0 HA LEU A 32 5.086 2.018 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.031 4.025 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.124 3.188 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 32 4.502 1.809 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.188 1.563 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.650 3.275 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.557 2.536 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.075 -0.127 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.443 0.779 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.164 0.328 -1.097 1.00 0.00 H new ATOM 494 N HIS A 33 6.736 3.969 -3.184 1.00 0.00 N ATOM 495 CA HIS A 33 7.329 5.012 -4.005 1.00 0.00 C ATOM 496 C HIS A 33 6.342 5.518 -5.059 1.00 0.00 C ATOM 497 O HIS A 33 6.180 6.722 -5.239 1.00 0.00 O ATOM 498 CB HIS A 33 8.592 4.431 -4.657 1.00 0.00 C ATOM 499 CG HIS A 33 9.172 5.283 -5.757 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.540 6.605 -5.656 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.368 4.894 -7.056 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.959 6.998 -6.872 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.875 5.991 -7.757 1.00 0.00 N ATOM 0 H HIS A 33 7.288 3.111 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 33 7.588 5.872 -3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.350 4.287 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.357 3.446 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.167 3.915 -7.465 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.315 7.990 -7.106 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.130 6.021 -8.744 1.00 0.00 H new ATOM 511 N GLY A 34 5.722 4.586 -5.780 1.00 0.00 N ATOM 512 CA GLY A 34 4.778 4.870 -6.841 1.00 0.00 C ATOM 513 C GLY A 34 3.749 3.751 -6.842 1.00 0.00 C ATOM 514 O GLY A 34 4.116 2.604 -7.091 1.00 0.00 O ATOM 0 H GLY A 34 5.871 3.588 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.297 5.834 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.287 4.925 -7.803 1.00 0.00 H new ATOM 518 N LEU A 35 2.492 4.069 -6.525 1.00 0.00 N ATOM 519 CA LEU A 35 1.373 3.133 -6.510 1.00 0.00 C ATOM 520 C LEU A 35 0.457 3.510 -7.677 1.00 0.00 C ATOM 521 O LEU A 35 0.619 2.991 -8.778 1.00 0.00 O ATOM 522 CB LEU A 35 0.663 3.181 -5.143 1.00 0.00 C ATOM 523 CG LEU A 35 1.283 2.259 -4.076 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.903 0.794 -4.291 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.809 2.324 -4.018 1.00 0.00 C ATOM 0 H LEU A 35 2.219 5.017 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 35 1.701 2.101 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.679 4.207 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.383 2.907 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 35 0.873 2.633 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.363 0.181 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.181 0.688 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.256 0.466 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.173 1.648 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.223 2.028 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.121 3.342 -3.787 1.00 0.00 H new ATOM 537 N PHE A 36 -0.455 4.459 -7.446 1.00 0.00 N ATOM 538 CA PHE A 36 -1.366 5.037 -8.428 1.00 0.00 C ATOM 539 C PHE A 36 -0.708 5.210 -9.794 1.00 0.00 C ATOM 540 O PHE A 36 0.171 6.057 -9.942 1.00 0.00 O ATOM 541 CB PHE A 36 -1.868 6.390 -7.906 1.00 0.00 C ATOM 542 CG PHE A 36 -2.669 6.286 -6.623 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.023 6.306 -5.372 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.057 6.061 -6.685 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.736 5.973 -4.209 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.786 5.843 -5.504 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.120 5.745 -4.273 1.00 0.00 C ATOM 0 H PHE A 36 -0.581 4.864 -6.518 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.202 4.350 -8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.013 7.045 -7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.485 6.860 -8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.980 6.577 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.561 6.056 -7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.219 5.892 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.861 5.751 -5.544 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.670 5.495 -3.378 1.00 0.00 H new ATOM 557 N GLY A 37 -1.117 4.416 -10.790 1.00 0.00 N ATOM 558 CA GLY A 37 -0.626 4.587 -12.153 1.00 0.00 C ATOM 559 C GLY A 37 0.664 3.810 -12.420 1.00 0.00 C ATOM 560 O GLY A 37 0.948 3.452 -13.562 1.00 0.00 O ATOM 0 H GLY A 37 -1.784 3.653 -10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.394 4.260 -12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.452 5.646 -12.342 1.00 0.00 H new ATOM 564 N ARG A 38 1.463 3.540 -11.387 1.00 0.00 N ATOM 565 CA ARG A 38 2.704 2.811 -11.515 1.00 0.00 C ATOM 566 C ARG A 38 2.358 1.339 -11.721 1.00 0.00 C ATOM 567 O ARG A 38 1.916 0.665 -10.790 1.00 0.00 O ATOM 568 CB ARG A 38 3.525 3.060 -10.247 1.00 0.00 C ATOM 569 CG ARG A 38 4.999 2.664 -10.361 1.00 0.00 C ATOM 570 CD ARG A 38 5.260 1.161 -10.184 1.00 0.00 C ATOM 571 NE ARG A 38 4.790 0.694 -8.869 1.00 0.00 N ATOM 572 CZ ARG A 38 4.630 -0.579 -8.483 1.00 0.00 C ATOM 573 NH1 ARG A 38 4.789 -1.564 -9.366 1.00 0.00 N ATOM 574 NH2 ARG A 38 4.323 -0.866 -7.211 1.00 0.00 N ATOM 0 H ARG A 38 1.255 3.829 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 38 3.302 3.135 -12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.464 4.118 -9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.075 2.506 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.373 2.974 -11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.570 3.212 -9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.754 0.605 -10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.326 0.959 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 38 4.563 1.413 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.032 -1.348 -10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.668 -2.534 -9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.210 -0.114 -6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.202 -1.837 -6.922 1.00 0.00 H new ATOM 588 N LYS A 39 2.545 0.849 -12.951 1.00 0.00 N ATOM 589 CA LYS A 39 2.211 -0.518 -13.307 1.00 0.00 C ATOM 590 C LYS A 39 2.757 -1.510 -12.275 1.00 0.00 C ATOM 591 O LYS A 39 3.957 -1.552 -11.985 1.00 0.00 O ATOM 592 CB LYS A 39 2.611 -0.845 -14.752 1.00 0.00 C ATOM 593 CG LYS A 39 4.096 -0.651 -15.105 1.00 0.00 C ATOM 594 CD LYS A 39 4.270 0.448 -16.166 1.00 0.00 C ATOM 595 CE LYS A 39 5.683 0.421 -16.766 1.00 0.00 C ATOM 596 NZ LYS A 39 5.866 1.467 -17.796 1.00 0.00 N ATOM 0 H LYS A 39 2.932 1.395 -13.721 1.00 0.00 H new ATOM 0 HA LYS A 39 1.126 -0.622 -13.278 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.343 -1.882 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.016 -0.224 -15.421 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.656 -0.387 -14.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.511 -1.588 -15.475 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.533 0.313 -16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.081 1.423 -15.718 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.417 0.561 -15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.872 -0.558 -17.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.833 1.415 -18.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.183 1.319 -18.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.711 2.404 -17.371 1.00 0.00 H new ATOM 610 N THR A 40 1.843 -2.253 -11.660 1.00 0.00 N ATOM 611 CA THR A 40 2.128 -3.301 -10.728 1.00 0.00 C ATOM 612 C THR A 40 2.654 -4.513 -11.495 1.00 0.00 C ATOM 613 O THR A 40 2.629 -4.556 -12.722 1.00 0.00 O ATOM 614 CB THR A 40 0.817 -3.564 -9.996 1.00 0.00 C ATOM 615 OG1 THR A 40 0.196 -2.319 -9.705 1.00 0.00 O ATOM 616 CG2 THR A 40 1.025 -4.374 -8.727 1.00 0.00 C ATOM 0 H THR A 40 0.843 -2.123 -11.815 1.00 0.00 H new ATOM 0 HA THR A 40 2.900 -3.049 -10.001 1.00 0.00 H new ATOM 0 HB THR A 40 0.171 -4.159 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.022 -2.257 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.065 -4.537 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.473 -5.336 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.687 -3.831 -8.053 1.00 0.00 H new ATOM 624 N GLY A 41 3.149 -5.498 -10.756 1.00 0.00 N ATOM 625 CA GLY A 41 3.743 -6.687 -11.333 1.00 0.00 C ATOM 626 C GLY A 41 5.114 -6.396 -11.948 1.00 0.00 C ATOM 627 O GLY A 41 5.559 -7.119 -12.835 1.00 0.00 O ATOM 0 H GLY A 41 3.147 -5.490 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.845 -7.452 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.080 -7.090 -12.098 1.00 0.00 H new ATOM 631 N GLN A 42 5.785 -5.337 -11.476 1.00 0.00 N ATOM 632 CA GLN A 42 7.043 -4.845 -12.003 1.00 0.00 C ATOM 633 C GLN A 42 7.531 -3.765 -11.032 1.00 0.00 C ATOM 634 O GLN A 42 6.914 -2.708 -10.913 1.00 0.00 O ATOM 635 CB GLN A 42 6.854 -4.295 -13.431 1.00 0.00 C ATOM 636 CG GLN A 42 8.194 -4.145 -14.162 1.00 0.00 C ATOM 637 CD GLN A 42 7.999 -3.674 -15.605 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.226 -4.252 -16.359 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.697 -2.618 -16.015 1.00 0.00 N ATOM 0 H GLN A 42 5.445 -4.786 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 42 7.783 -5.641 -12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.204 -4.964 -13.996 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.354 -3.328 -13.385 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.823 -3.433 -13.628 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.720 -5.100 -14.158 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.336 -2.149 -15.373 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.593 -2.278 -16.971 1.00 0.00 H new ATOM 648 N ALA A 43 8.607 -4.051 -10.301 1.00 0.00 N ATOM 649 CA ALA A 43 9.372 -3.100 -9.495 1.00 0.00 C ATOM 650 C ALA A 43 10.828 -3.148 -9.972 1.00 0.00 C ATOM 651 O ALA A 43 11.218 -4.148 -10.573 1.00 0.00 O ATOM 652 CB ALA A 43 9.297 -3.482 -8.008 1.00 0.00 C ATOM 0 H ALA A 43 8.987 -4.996 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 43 8.964 -2.096 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.871 -2.766 -7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.257 -3.470 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.710 -4.481 -7.868 1.00 0.00 H new ATOM 658 N PRO A 44 11.650 -2.124 -9.688 1.00 0.00 N ATOM 659 CA PRO A 44 13.053 -2.114 -10.079 1.00 0.00 C ATOM 660 C PRO A 44 13.909 -3.128 -9.306 1.00 0.00 C ATOM 661 O PRO A 44 15.064 -3.337 -9.668 1.00 0.00 O ATOM 662 CB PRO A 44 13.529 -0.676 -9.851 1.00 0.00 C ATOM 663 CG PRO A 44 12.618 -0.179 -8.729 1.00 0.00 C ATOM 664 CD PRO A 44 11.291 -0.867 -9.047 1.00 0.00 C ATOM 0 HA PRO A 44 13.161 -2.421 -11.119 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.579 -0.641 -9.562 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.426 -0.070 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.995 -0.461 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.523 0.907 -8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.711 -1.040 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.677 -0.252 -9.705 1.00 0.00 H new ATOM 672 N GLY A 45 13.372 -3.753 -8.254 1.00 0.00 N ATOM 673 CA GLY A 45 14.075 -4.793 -7.516 1.00 0.00 C ATOM 674 C GLY A 45 13.090 -5.721 -6.811 1.00 0.00 C ATOM 675 O GLY A 45 12.693 -6.748 -7.361 1.00 0.00 O ATOM 0 H GLY A 45 12.439 -3.549 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.700 -5.370 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.740 -4.338 -6.783 1.00 0.00 H new ATOM 679 N PHE A 46 12.681 -5.367 -5.588 1.00 0.00 N ATOM 680 CA PHE A 46 11.818 -6.219 -4.778 1.00 0.00 C ATOM 681 C PHE A 46 10.385 -6.128 -5.298 1.00 0.00 C ATOM 682 O PHE A 46 9.526 -5.493 -4.689 1.00 0.00 O ATOM 683 CB PHE A 46 11.926 -5.858 -3.286 1.00 0.00 C ATOM 684 CG PHE A 46 10.939 -6.560 -2.355 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.586 -7.912 -2.554 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.243 -5.802 -1.392 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.508 -8.473 -1.843 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.211 -6.388 -0.639 1.00 0.00 C ATOM 689 CZ PHE A 46 8.830 -7.715 -0.877 1.00 0.00 C ATOM 0 H PHE A 46 12.939 -4.488 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 46 12.144 -7.255 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.937 -6.086 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.790 -4.781 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.144 -8.517 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.504 -4.766 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.202 -9.490 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.710 -5.813 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.016 -8.153 -0.318 1.00 0.00 H new ATOM 699 N THR A 47 10.109 -6.792 -6.420 1.00 0.00 N ATOM 700 CA THR A 47 8.764 -6.851 -6.969 1.00 0.00 C ATOM 701 C THR A 47 7.899 -7.886 -6.236 1.00 0.00 C ATOM 702 O THR A 47 7.200 -8.679 -6.863 1.00 0.00 O ATOM 703 CB THR A 47 8.798 -6.952 -8.500 1.00 0.00 C ATOM 704 OG1 THR A 47 7.525 -6.633 -9.023 1.00 0.00 O ATOM 705 CG2 THR A 47 9.289 -8.295 -9.027 1.00 0.00 C ATOM 0 H THR A 47 10.807 -7.298 -6.966 1.00 0.00 H new ATOM 0 HA THR A 47 8.248 -5.910 -6.777 1.00 0.00 H new ATOM 0 HB THR A 47 9.536 -6.228 -8.846 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.939 -6.332 -8.297 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.282 -8.283 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.304 -8.476 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.633 -9.088 -8.669 1.00 0.00 H new ATOM 713 N TYR A 48 7.867 -7.785 -4.903 1.00 0.00 N ATOM 714 CA TYR A 48 6.897 -8.455 -4.050 1.00 0.00 C ATOM 715 C TYR A 48 7.007 -9.990 -4.131 1.00 0.00 C ATOM 716 O TYR A 48 8.037 -10.518 -4.548 1.00 0.00 O ATOM 717 CB TYR A 48 5.479 -7.917 -4.309 1.00 0.00 C ATOM 718 CG TYR A 48 5.306 -6.742 -5.258 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.902 -5.497 -4.988 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.704 -6.961 -6.508 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.990 -4.527 -6.004 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.693 -5.951 -7.476 1.00 0.00 C ATOM 723 CZ TYR A 48 5.350 -4.740 -7.237 1.00 0.00 C ATOM 724 OH TYR A 48 5.560 -3.904 -8.295 1.00 0.00 O ATOM 0 H TYR A 48 8.535 -7.219 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 48 7.133 -8.216 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.877 -8.742 -4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.053 -7.631 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.291 -5.286 -4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.247 -7.915 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.550 -3.619 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.175 -6.107 -8.411 1.00 0.00 H new ATOM 0 HH TYR A 48 6.110 -3.145 -8.008 1.00 0.00 H new ATOM 734 N THR A 49 5.971 -10.713 -3.692 1.00 0.00 N ATOM 735 CA THR A 49 5.822 -12.140 -3.932 1.00 0.00 C ATOM 736 C THR A 49 5.254 -12.341 -5.337 1.00 0.00 C ATOM 737 O THR A 49 4.505 -11.495 -5.813 1.00 0.00 O ATOM 738 CB THR A 49 4.808 -12.703 -2.928 1.00 0.00 C ATOM 739 OG1 THR A 49 3.617 -11.948 -3.031 1.00 0.00 O ATOM 740 CG2 THR A 49 5.317 -12.621 -1.487 1.00 0.00 C ATOM 0 H THR A 49 5.205 -10.311 -3.152 1.00 0.00 H new ATOM 0 HA THR A 49 6.785 -12.640 -3.829 1.00 0.00 H new ATOM 0 HB THR A 49 4.641 -13.754 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.885 -12.431 -2.593 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.566 -13.031 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.240 -13.194 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.508 -11.580 -1.227 1.00 0.00 H new ATOM 748 N ASP A 50 5.526 -13.487 -5.968 1.00 0.00 N ATOM 749 CA ASP A 50 4.947 -13.904 -7.243 1.00 0.00 C ATOM 750 C ASP A 50 3.435 -13.714 -7.321 1.00 0.00 C ATOM 751 O ASP A 50 2.929 -13.370 -8.381 1.00 0.00 O ATOM 752 CB ASP A 50 5.386 -15.335 -7.560 1.00 0.00 C ATOM 753 CG ASP A 50 6.867 -15.321 -7.893 1.00 0.00 C ATOM 754 OD1 ASP A 50 7.671 -15.161 -6.951 1.00 0.00 O ATOM 755 OD2 ASP A 50 7.188 -15.309 -9.102 1.00 0.00 O ATOM 0 H ASP A 50 6.179 -14.173 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 50 5.335 -13.242 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.195 -15.987 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.813 -15.730 -8.399 1.00 0.00 H new ATOM 760 N ALA A 51 2.698 -13.880 -6.223 1.00 0.00 N ATOM 761 CA ALA A 51 1.261 -13.638 -6.238 1.00 0.00 C ATOM 762 C ALA A 51 0.920 -12.200 -6.641 1.00 0.00 C ATOM 763 O ALA A 51 -0.040 -11.980 -7.380 1.00 0.00 O ATOM 764 CB ALA A 51 0.663 -13.989 -4.876 1.00 0.00 C ATOM 0 H ALA A 51 3.070 -14.178 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 51 0.819 -14.283 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.411 -13.806 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.849 -15.040 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.124 -13.371 -4.106 1.00 0.00 H new ATOM 770 N ASN A 52 1.693 -11.221 -6.165 1.00 0.00 N ATOM 771 CA ASN A 52 1.474 -9.825 -6.521 1.00 0.00 C ATOM 772 C ASN A 52 2.241 -9.487 -7.804 1.00 0.00 C ATOM 773 O ASN A 52 1.762 -8.699 -8.617 1.00 0.00 O ATOM 774 CB ASN A 52 1.856 -8.918 -5.352 1.00 0.00 C ATOM 775 CG ASN A 52 1.298 -7.499 -5.455 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.782 -6.976 -4.483 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.334 -6.843 -6.612 1.00 0.00 N ATOM 0 H ASN A 52 2.477 -11.374 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 52 0.416 -9.656 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.502 -9.370 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.943 -8.866 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.931 -5.908 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.764 -7.275 -7.430 1.00 0.00 H new ATOM 784 N LYS A 53 3.424 -10.076 -8.009 1.00 0.00 N ATOM 785 CA LYS A 53 4.196 -9.912 -9.240 1.00 0.00 C ATOM 786 C LYS A 53 3.299 -10.279 -10.421 1.00 0.00 C ATOM 787 O LYS A 53 3.246 -9.592 -11.435 1.00 0.00 O ATOM 788 CB LYS A 53 5.414 -10.837 -9.245 1.00 0.00 C ATOM 789 CG LYS A 53 6.378 -10.608 -10.421 1.00 0.00 C ATOM 790 CD LYS A 53 7.296 -11.829 -10.616 1.00 0.00 C ATOM 791 CE LYS A 53 8.298 -12.030 -9.465 1.00 0.00 C ATOM 792 NZ LYS A 53 8.923 -13.369 -9.497 1.00 0.00 N ATOM 0 H LYS A 53 3.872 -10.682 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 53 4.540 -8.880 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.960 -10.704 -8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.070 -11.871 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.810 -10.424 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.981 -9.719 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.682 -12.724 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.845 -11.716 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.074 -11.267 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.787 -11.892 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.400 -13.551 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.190 -14.090 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.619 -13.409 -10.269 1.00 0.00 H new ATOM 806 N ASN A 54 2.587 -11.394 -10.266 1.00 0.00 N ATOM 807 CA ASN A 54 1.751 -11.953 -11.302 1.00 0.00 C ATOM 808 C ASN A 54 0.551 -11.039 -11.603 1.00 0.00 C ATOM 809 O ASN A 54 -0.132 -11.223 -12.605 1.00 0.00 O ATOM 810 CB ASN A 54 1.275 -13.349 -10.887 1.00 0.00 C ATOM 811 CG ASN A 54 0.468 -14.028 -11.989 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.950 -14.195 -13.104 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.755 -14.455 -11.687 1.00 0.00 N ATOM 0 H ASN A 54 2.581 -11.935 -9.401 1.00 0.00 H new ATOM 0 HA ASN A 54 2.341 -12.034 -12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.137 -13.967 -10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.666 -13.272 -9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.316 -14.935 -12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.132 -14.303 -10.751 1.00 0.00 H new ATOM 820 N LYS A 55 0.238 -10.091 -10.706 1.00 0.00 N ATOM 821 CA LYS A 55 -1.056 -9.420 -10.703 1.00 0.00 C ATOM 822 C LYS A 55 -1.226 -8.477 -11.901 1.00 0.00 C ATOM 823 O LYS A 55 -2.319 -8.379 -12.451 1.00 0.00 O ATOM 824 CB LYS A 55 -1.263 -8.680 -9.373 1.00 0.00 C ATOM 825 CG LYS A 55 -2.750 -8.566 -9.011 1.00 0.00 C ATOM 826 CD LYS A 55 -3.221 -9.802 -8.234 1.00 0.00 C ATOM 827 CE LYS A 55 -4.753 -9.805 -8.118 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.258 -10.886 -7.247 1.00 0.00 N ATOM 0 H LYS A 55 0.873 -9.776 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.827 -10.184 -10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.734 -9.206 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.827 -7.683 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.915 -7.670 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.342 -8.455 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.886 -10.708 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.774 -9.808 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.085 -8.844 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.188 -9.912 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.171 -11.227 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.575 -11.671 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.384 -10.523 -6.281 1.00 0.00 H new ATOM 842 N GLY A 56 -0.166 -7.748 -12.267 1.00 0.00 N ATOM 843 CA GLY A 56 -0.165 -6.861 -13.427 1.00 0.00 C ATOM 844 C GLY A 56 -1.256 -5.783 -13.390 1.00 0.00 C ATOM 845 O GLY A 56 -1.764 -5.381 -14.434 1.00 0.00 O ATOM 0 H GLY A 56 0.719 -7.760 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.808 -6.376 -13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.291 -7.460 -14.329 1.00 0.00 H new ATOM 849 N ILE A 57 -1.609 -5.302 -12.192 1.00 0.00 N ATOM 850 CA ILE A 57 -2.536 -4.187 -12.011 1.00 0.00 C ATOM 851 C ILE A 57 -1.790 -2.850 -12.161 1.00 0.00 C ATOM 852 O ILE A 57 -0.728 -2.790 -12.780 1.00 0.00 O ATOM 853 CB ILE A 57 -3.320 -4.346 -10.688 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.407 -4.413 -9.452 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.228 -5.576 -10.790 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.150 -4.486 -8.120 1.00 0.00 C ATOM 0 H ILE A 57 -1.254 -5.682 -11.315 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.293 -4.191 -12.795 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.930 -3.454 -10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.760 -5.285 -9.541 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.760 -3.536 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.785 -5.695 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.926 -5.445 -11.617 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.620 -6.464 -10.965 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.429 -4.530 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.776 -3.602 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.775 -5.378 -8.101 1.00 0.00 H new ATOM 868 N THR A 58 -2.340 -1.748 -11.647 1.00 0.00 N ATOM 869 CA THR A 58 -1.796 -0.411 -11.812 1.00 0.00 C ATOM 870 C THR A 58 -2.050 0.392 -10.526 1.00 0.00 C ATOM 871 O THR A 58 -2.261 1.604 -10.562 1.00 0.00 O ATOM 872 CB THR A 58 -2.476 0.152 -13.071 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.336 -0.774 -14.134 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.897 1.479 -13.522 1.00 0.00 C ATOM 0 H THR A 58 -3.196 -1.768 -11.093 1.00 0.00 H new ATOM 0 HA THR A 58 -0.716 -0.376 -11.956 1.00 0.00 H new ATOM 0 HB THR A 58 -3.522 0.316 -12.812 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.770 -0.418 -14.937 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.421 1.820 -14.415 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.015 2.216 -12.728 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.838 1.356 -13.748 1.00 0.00 H new ATOM 882 N TRP A 59 -2.059 -0.335 -9.398 1.00 0.00 N ATOM 883 CA TRP A 59 -2.443 0.103 -8.062 1.00 0.00 C ATOM 884 C TRP A 59 -3.310 1.357 -8.038 1.00 0.00 C ATOM 885 O TRP A 59 -2.909 2.380 -7.487 1.00 0.00 O ATOM 886 CB TRP A 59 -1.191 0.264 -7.203 1.00 0.00 C ATOM 887 CG TRP A 59 -0.660 -1.013 -6.662 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.586 -1.489 -6.864 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.317 -1.952 -5.761 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.741 -2.663 -6.169 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.408 -3.011 -5.488 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.577 -2.004 -5.119 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.745 -4.077 -4.648 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.905 -3.058 -4.245 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.004 -4.113 -4.038 1.00 0.00 C ATOM 0 H TRP A 59 -1.776 -1.315 -9.405 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.081 -0.675 -7.643 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.415 0.745 -7.798 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.417 0.933 -6.372 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.342 -1.020 -7.476 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.601 -3.211 -6.157 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.299 -1.222 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.035 -4.871 -4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.855 -3.054 -3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.280 -4.948 -3.412 1.00 0.00 H new ATOM 906 N LYS A 60 -4.518 1.271 -8.596 1.00 0.00 N ATOM 907 CA LYS A 60 -5.439 2.383 -8.486 1.00 0.00 C ATOM 908 C LYS A 60 -6.138 2.340 -7.129 1.00 0.00 C ATOM 909 O LYS A 60 -6.097 1.331 -6.417 1.00 0.00 O ATOM 910 CB LYS A 60 -6.410 2.481 -9.674 1.00 0.00 C ATOM 911 CG LYS A 60 -7.421 1.344 -9.886 1.00 0.00 C ATOM 912 CD LYS A 60 -6.883 0.131 -10.659 1.00 0.00 C ATOM 913 CE LYS A 60 -8.082 -0.626 -11.255 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.710 -1.903 -11.892 1.00 0.00 N ATOM 0 H LYS A 60 -4.867 0.464 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.866 3.309 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.971 3.409 -9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.815 2.570 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.775 1.007 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.285 1.741 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.205 0.453 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.313 -0.520 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.808 -0.820 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.574 0.009 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.562 -2.362 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.039 -1.722 -12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.266 -2.526 -11.187 1.00 0.00 H new ATOM 928 N GLU A 61 -6.807 3.451 -6.823 1.00 0.00 N ATOM 929 CA GLU A 61 -7.625 3.667 -5.633 1.00 0.00 C ATOM 930 C GLU A 61 -8.419 2.423 -5.288 1.00 0.00 C ATOM 931 O GLU A 61 -8.356 1.906 -4.174 1.00 0.00 O ATOM 932 CB GLU A 61 -8.517 4.897 -5.877 1.00 0.00 C ATOM 933 CG GLU A 61 -8.883 5.617 -4.579 1.00 0.00 C ATOM 934 CD GLU A 61 -9.600 6.921 -4.882 1.00 0.00 C ATOM 935 OE1 GLU A 61 -10.794 6.865 -5.231 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.920 7.966 -4.802 1.00 0.00 O ATOM 0 H GLU A 61 -6.791 4.268 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.994 3.864 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.001 5.591 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.429 4.586 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.520 4.978 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.982 5.816 -3.999 1.00 0.00 H new ATOM 943 N GLU A 62 -9.115 1.923 -6.297 1.00 0.00 N ATOM 944 CA GLU A 62 -10.028 0.823 -6.145 1.00 0.00 C ATOM 945 C GLU A 62 -9.302 -0.408 -5.590 1.00 0.00 C ATOM 946 O GLU A 62 -9.721 -1.037 -4.619 1.00 0.00 O ATOM 947 CB GLU A 62 -10.674 0.498 -7.507 1.00 0.00 C ATOM 948 CG GLU A 62 -10.964 1.695 -8.433 1.00 0.00 C ATOM 949 CD GLU A 62 -11.465 1.197 -9.781 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.591 0.802 -10.584 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.697 1.190 -9.975 1.00 0.00 O ATOM 0 H GLU A 62 -9.055 2.280 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.807 1.104 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.020 -0.194 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.612 -0.027 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.709 2.347 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.060 2.289 -8.568 1.00 0.00 H new ATOM 958 N THR A 63 -8.187 -0.750 -6.239 1.00 0.00 N ATOM 959 CA THR A 63 -7.434 -1.948 -5.933 1.00 0.00 C ATOM 960 C THR A 63 -6.746 -1.803 -4.579 1.00 0.00 C ATOM 961 O THR A 63 -6.721 -2.757 -3.803 1.00 0.00 O ATOM 962 CB THR A 63 -6.460 -2.251 -7.080 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.847 -1.077 -7.589 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.233 -2.878 -8.244 1.00 0.00 C ATOM 0 H THR A 63 -7.786 -0.194 -6.995 1.00 0.00 H new ATOM 0 HA THR A 63 -8.102 -2.805 -5.849 1.00 0.00 H new ATOM 0 HB THR A 63 -5.696 -2.916 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.876 -0.372 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.546 -3.095 -9.062 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.705 -3.802 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.999 -2.183 -8.588 1.00 0.00 H new ATOM 972 N LEU A 64 -6.225 -0.609 -4.273 1.00 0.00 N ATOM 973 CA LEU A 64 -5.737 -0.336 -2.934 1.00 0.00 C ATOM 974 C LEU A 64 -6.844 -0.574 -1.909 1.00 0.00 C ATOM 975 O LEU A 64 -6.621 -1.286 -0.940 1.00 0.00 O ATOM 976 CB LEU A 64 -5.204 1.097 -2.816 1.00 0.00 C ATOM 977 CG LEU A 64 -3.683 1.205 -3.002 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.346 1.757 -4.382 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.087 2.133 -1.941 1.00 0.00 C ATOM 0 H LEU A 64 -6.135 0.167 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.912 -1.019 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.698 1.722 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.471 1.496 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.261 0.205 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.264 1.825 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.748 1.093 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.785 2.748 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.008 2.202 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.530 3.125 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.298 1.734 -0.949 1.00 0.00 H new ATOM 991 N MET A 65 -8.026 0.012 -2.102 1.00 0.00 N ATOM 992 CA MET A 65 -9.137 -0.122 -1.180 1.00 0.00 C ATOM 993 C MET A 65 -9.434 -1.598 -0.920 1.00 0.00 C ATOM 994 O MET A 65 -9.509 -2.020 0.235 1.00 0.00 O ATOM 995 CB MET A 65 -10.353 0.642 -1.726 1.00 0.00 C ATOM 996 CG MET A 65 -11.400 0.872 -0.630 1.00 0.00 C ATOM 997 SD MET A 65 -13.076 0.254 -0.932 1.00 0.00 S ATOM 998 CE MET A 65 -12.752 -1.516 -1.063 1.00 0.00 C ATOM 0 H MET A 65 -8.234 0.596 -2.912 1.00 0.00 H new ATOM 0 HA MET A 65 -8.879 0.319 -0.217 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.031 1.601 -2.132 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.799 0.081 -2.547 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.033 0.413 0.288 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.465 1.944 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.697 -2.058 -1.090 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.193 -1.717 -1.977 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.170 -1.844 -0.202 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.597 -2.380 -1.991 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.943 -3.790 -1.866 1.00 0.00 C ATOM 1010 C GLU A 66 -8.838 -4.564 -1.129 1.00 0.00 C ATOM 1011 O GLU A 66 -9.113 -5.381 -0.251 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.272 -4.377 -3.252 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.342 -5.471 -3.117 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.667 -6.161 -4.433 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.155 -5.457 -5.341 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.449 -7.394 -4.488 1.00 0.00 O ATOM 0 H GLU A 66 -9.494 -2.056 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.840 -3.890 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.628 -3.588 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.371 -4.791 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.001 -6.216 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.253 -5.031 -2.711 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.574 -4.287 -1.460 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.431 -4.944 -0.831 1.00 0.00 C ATOM 1025 C TYR A 67 -6.385 -4.635 0.661 1.00 0.00 C ATOM 1026 O TYR A 67 -6.385 -5.537 1.487 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.154 -4.466 -1.524 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.860 -5.057 -1.001 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.701 -6.449 -0.873 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.752 -4.220 -0.793 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.469 -7.001 -0.489 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.495 -4.787 -0.548 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.346 -6.171 -0.369 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.110 -6.712 -0.196 1.00 0.00 O ATOM 0 H TYR A 67 -7.317 -3.602 -2.171 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.524 -6.025 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.232 -4.694 -2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.099 -3.381 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.538 -7.102 -1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.868 -3.147 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.387 -8.059 -0.287 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.626 -4.148 -0.496 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.198 -7.659 0.039 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.334 -3.352 1.007 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.291 -2.900 2.387 1.00 0.00 C ATOM 1046 C LEU A 68 -7.472 -3.448 3.186 1.00 0.00 C ATOM 1047 O LEU A 68 -7.298 -3.819 4.345 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.249 -1.365 2.454 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.843 -0.743 2.445 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.983 -1.302 3.581 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.108 -0.895 1.112 1.00 0.00 C ATOM 0 H LEU A 68 -6.321 -2.592 0.327 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.378 -3.287 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.810 -0.966 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.764 -1.043 3.359 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.000 0.325 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.995 -0.843 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.455 -1.080 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.886 -2.382 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.124 -0.432 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.994 -1.953 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.681 -0.408 0.323 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.665 -3.501 2.584 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.819 -4.123 3.217 1.00 0.00 C ATOM 1065 C GLU A 69 -9.503 -5.585 3.547 1.00 0.00 C ATOM 1066 O GLU A 69 -9.638 -5.999 4.699 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.059 -3.968 2.319 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.359 -4.461 2.983 1.00 0.00 C ATOM 1069 CD GLU A 69 -12.709 -5.908 2.642 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.776 -6.214 1.434 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -12.918 -6.682 3.600 1.00 0.00 O ATOM 0 H GLU A 69 -8.851 -3.118 1.657 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.046 -3.623 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.173 -2.919 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.900 -4.521 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.264 -4.364 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.182 -3.815 2.676 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.074 -6.358 2.543 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.891 -7.796 2.685 1.00 0.00 C ATOM 1080 C ASN A 70 -7.679 -8.286 1.893 1.00 0.00 C ATOM 1081 O ASN A 70 -7.822 -8.747 0.762 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.161 -8.495 2.212 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.326 -9.842 2.892 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.368 -10.599 3.035 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.545 -10.137 3.337 1.00 0.00 N ATOM 0 H ASN A 70 -8.846 -6.001 1.615 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.704 -8.032 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.027 -7.868 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.124 -8.631 1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.712 -11.021 3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.312 -9.479 3.197 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.469 -8.211 2.457 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.266 -8.376 1.666 1.00 0.00 C ATOM 1094 C PRO A 71 -5.068 -9.825 1.229 1.00 0.00 C ATOM 1095 O PRO A 71 -4.778 -10.083 0.063 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.128 -7.799 2.510 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.663 -7.836 3.942 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.177 -7.700 3.780 1.00 0.00 C ATOM 0 HA PRO A 71 -5.317 -7.840 0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.219 -8.391 2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.882 -6.782 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.398 -8.767 4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.252 -7.024 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.707 -8.267 4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.491 -6.661 3.878 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.251 -10.773 2.152 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.169 -12.196 1.836 1.00 0.00 C ATOM 1108 C LYS A 72 -6.193 -12.606 0.767 1.00 0.00 C ATOM 1109 O LYS A 72 -5.904 -13.472 -0.055 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.301 -13.060 3.107 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.960 -13.687 3.524 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.073 -12.702 4.304 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.367 -12.813 5.812 1.00 0.00 C ATOM 1114 NZ LYS A 72 -2.828 -11.683 6.601 1.00 0.00 N ATOM 0 H LYS A 72 -5.458 -10.575 3.131 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.180 -12.377 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.683 -12.447 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.031 -13.850 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.148 -14.568 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.428 -14.026 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.021 -12.916 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.258 -11.684 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.445 -12.869 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.944 -13.744 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.656 -11.993 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.935 -11.359 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.514 -10.902 6.602 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.389 -12.011 0.777 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.390 -12.281 -0.247 1.00 0.00 C ATOM 1130 C LYS A 73 -7.912 -11.714 -1.585 1.00 0.00 C ATOM 1131 O LYS A 73 -7.830 -12.441 -2.573 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.730 -11.677 0.187 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.856 -11.788 -0.847 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.109 -11.103 -0.277 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.226 -10.927 -1.318 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.904 -9.899 -2.338 1.00 0.00 N ATOM 0 H LYS A 73 -7.684 -11.339 1.486 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.531 -13.354 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.052 -12.167 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.577 -10.624 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.559 -11.316 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.064 -12.834 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.489 -11.691 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.833 -10.126 0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.407 -11.880 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.150 -10.651 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.711 -9.786 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.707 -8.993 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.067 -10.197 -2.879 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.640 -10.406 -1.632 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.256 -9.729 -2.860 1.00 0.00 C ATOM 1152 C TYR A 74 -6.052 -10.392 -3.544 1.00 0.00 C ATOM 1153 O TYR A 74 -6.037 -10.550 -4.768 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.970 -8.270 -2.517 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.735 -7.392 -3.725 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.824 -7.030 -4.534 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.427 -7.056 -4.118 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.603 -6.396 -5.767 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.204 -6.431 -5.355 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.292 -6.125 -6.189 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.071 -5.687 -7.458 1.00 0.00 O ATOM 0 H TYR A 74 -7.682 -9.794 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.072 -9.797 -3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.808 -7.870 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.094 -8.224 -1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.832 -7.239 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.594 -7.279 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.440 -6.117 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.199 -6.186 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.871 -5.844 -8.002 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.027 -10.761 -2.770 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.843 -11.467 -3.256 1.00 0.00 C ATOM 1173 C ILE A 75 -3.689 -12.801 -2.510 1.00 0.00 C ATOM 1174 O ILE A 75 -3.305 -12.799 -1.339 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.594 -10.578 -3.123 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.619 -9.513 -4.230 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.296 -11.388 -3.300 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.823 -8.270 -3.846 1.00 0.00 C ATOM 0 H ILE A 75 -4.999 -10.572 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.962 -11.692 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.610 -10.135 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.211 -9.935 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.651 -9.232 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.437 -10.725 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.246 -12.166 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.286 -11.847 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.868 -7.544 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.247 -7.831 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.784 -8.545 -3.663 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.911 -13.947 -3.182 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.741 -15.262 -2.586 1.00 0.00 C ATOM 1192 C PRO A 76 -2.248 -15.608 -2.496 1.00 0.00 C ATOM 1193 O PRO A 76 -1.766 -16.511 -3.177 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.520 -16.209 -3.503 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.349 -15.571 -4.880 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.355 -14.074 -4.565 1.00 0.00 C ATOM 0 HA PRO A 76 -4.114 -15.327 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.117 -17.221 -3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.570 -16.276 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.418 -15.880 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.159 -15.845 -5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.691 -13.532 -5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.352 -13.653 -4.694 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.512 -14.882 -1.652 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.094 -15.113 -1.394 1.00 0.00 C ATOM 1206 C GLY A 77 0.649 -13.808 -1.115 1.00 0.00 C ATOM 1207 O GLY A 77 1.700 -13.545 -1.702 1.00 0.00 O ATOM 0 H GLY A 77 -1.896 -14.101 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.016 -15.784 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.356 -15.611 -2.253 1.00 0.00 H new ATOM 1211 N THR A 78 0.101 -12.993 -0.209 1.00 0.00 N ATOM 1212 CA THR A 78 0.718 -11.756 0.245 1.00 0.00 C ATOM 1213 C THR A 78 1.318 -12.007 1.626 1.00 0.00 C ATOM 1214 O THR A 78 0.607 -12.407 2.549 1.00 0.00 O ATOM 1215 CB THR A 78 -0.309 -10.606 0.224 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.306 -9.373 0.523 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.500 -10.796 1.169 1.00 0.00 C ATOM 0 H THR A 78 -0.798 -13.183 0.233 1.00 0.00 H new ATOM 0 HA THR A 78 1.522 -11.446 -0.423 1.00 0.00 H new ATOM 0 HB THR A 78 -0.701 -10.612 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.122 -9.277 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.169 -9.940 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.038 -11.704 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.141 -10.879 2.195 1.00 0.00 H new ATOM 1225 N LYS A 79 2.621 -11.752 1.799 1.00 0.00 N ATOM 1226 CA LYS A 79 3.268 -11.833 3.108 1.00 0.00 C ATOM 1227 C LYS A 79 3.094 -10.506 3.866 1.00 0.00 C ATOM 1228 O LYS A 79 3.994 -10.059 4.572 1.00 0.00 O ATOM 1229 CB LYS A 79 4.732 -12.292 2.961 1.00 0.00 C ATOM 1230 CG LYS A 79 5.637 -11.270 2.261 1.00 0.00 C ATOM 1231 CD LYS A 79 7.090 -11.745 2.150 1.00 0.00 C ATOM 1232 CE LYS A 79 7.939 -10.617 1.537 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.375 -10.958 1.465 1.00 0.00 N ATOM 0 H LYS A 79 3.249 -11.486 1.041 1.00 0.00 H new ATOM 0 HA LYS A 79 2.784 -12.595 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.137 -12.504 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.755 -13.227 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.247 -11.069 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.608 -10.329 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.475 -12.014 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.148 -12.639 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.572 -10.395 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.814 -9.711 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.900 -10.164 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.736 -11.144 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.501 -11.806 0.877 1.00 0.00 H new ATOM 1247 N MET A 80 1.933 -9.865 3.709 1.00 0.00 N ATOM 1248 CA MET A 80 1.670 -8.531 4.223 1.00 0.00 C ATOM 1249 C MET A 80 1.317 -8.534 5.711 1.00 0.00 C ATOM 1250 O MET A 80 1.511 -7.547 6.409 1.00 0.00 O ATOM 1251 CB MET A 80 0.619 -7.871 3.330 1.00 0.00 C ATOM 1252 CG MET A 80 0.106 -6.537 3.870 1.00 0.00 C ATOM 1253 SD MET A 80 0.114 -5.167 2.681 1.00 0.00 S ATOM 1254 CE MET A 80 -1.547 -4.471 2.849 1.00 0.00 C ATOM 0 H MET A 80 1.140 -10.271 3.212 1.00 0.00 H new ATOM 0 HA MET A 80 2.578 -7.930 4.179 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.044 -7.713 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.223 -8.553 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.913 -6.677 4.231 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.713 -6.254 4.730 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.564 -3.465 2.431 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.260 -5.098 2.314 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.820 -4.430 3.904 1.00 0.00 H new ATOM 1264 N ILE A 81 0.812 -9.660 6.206 1.00 0.00 N ATOM 1265 CA ILE A 81 0.484 -9.852 7.612 1.00 0.00 C ATOM 1266 C ILE A 81 -0.359 -8.683 8.139 1.00 0.00 C ATOM 1267 O ILE A 81 -0.056 -8.060 9.152 1.00 0.00 O ATOM 1268 CB ILE A 81 1.768 -10.094 8.424 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.752 -11.066 7.744 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.475 -10.583 9.853 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.222 -12.497 7.603 1.00 0.00 C ATOM 0 H ILE A 81 0.616 -10.478 5.630 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.134 -10.743 7.726 1.00 0.00 H new ATOM 0 HB ILE A 81 2.246 -9.116 8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.999 -10.682 6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.679 -11.088 8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.414 -10.739 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.881 -9.836 10.379 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.922 -11.522 9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.974 -13.117 7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.002 -12.903 8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.312 -12.491 7.003 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.453 -8.409 7.429 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.436 -7.411 7.805 1.00 0.00 C ATOM 1285 C PHE A 82 -3.818 -8.060 7.701 1.00 0.00 C ATOM 1286 O PHE A 82 -3.945 -9.137 7.094 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.254 -6.186 6.901 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.901 -4.914 7.408 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.227 -4.135 8.366 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.095 -4.439 6.834 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.738 -2.882 8.745 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.613 -3.196 7.227 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.958 -2.435 8.210 1.00 0.00 C ATOM 0 H PHE A 82 -1.679 -8.889 6.558 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.317 -7.061 8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.187 -6.006 6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.662 -6.416 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.314 -4.501 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.611 -5.030 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.195 -2.265 9.445 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.519 -2.823 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.392 -1.508 8.554 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.808 -7.427 8.339 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.189 -7.862 8.469 1.00 0.00 C ATOM 1305 C ALA A 83 -6.977 -6.704 9.093 1.00 0.00 C ATOM 1306 O ALA A 83 -6.468 -6.059 10.009 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.254 -9.085 9.388 1.00 0.00 C ATOM 0 H ALA A 83 -4.647 -6.536 8.808 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.605 -8.132 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.289 -9.412 9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.657 -9.892 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.862 -8.823 10.371 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.195 -6.438 8.613 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.996 -5.315 9.086 1.00 0.00 C ATOM 1315 C GLY A 84 -8.371 -3.979 8.674 1.00 0.00 C ATOM 1316 O GLY A 84 -7.412 -3.958 7.911 1.00 0.00 O ATOM 0 H GLY A 84 -8.648 -6.995 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.005 -5.388 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.084 -5.359 10.172 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.921 -2.859 9.158 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.419 -1.526 8.861 1.00 0.00 C ATOM 1322 C ILE A 85 -8.807 -0.627 10.046 1.00 0.00 C ATOM 1323 O ILE A 85 -8.085 -0.608 11.041 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.840 -1.114 7.425 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -8.307 0.267 7.029 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.329 -1.239 7.061 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.418 0.218 5.787 1.00 0.00 C ATOM 0 H ILE A 85 -9.735 -2.860 9.772 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.334 -1.444 8.799 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.355 -1.885 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.146 0.937 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.741 0.686 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.480 -0.918 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.644 -2.277 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.920 -0.610 7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.068 1.223 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.562 -0.429 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.989 -0.174 4.946 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.987 0.003 10.012 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.709 0.481 11.188 1.00 0.00 C ATOM 1341 C LYS A 86 -12.199 0.233 10.959 1.00 0.00 C ATOM 1342 O LYS A 86 -12.751 -0.771 11.397 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.462 1.980 11.456 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.163 2.201 12.231 1.00 0.00 C ATOM 1345 CD LYS A 86 -8.818 3.665 12.557 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.964 4.474 13.189 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.777 5.208 12.192 1.00 0.00 N ATOM 0 H LYS A 86 -10.477 0.198 9.139 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.349 -0.059 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.419 2.518 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.299 2.393 12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.221 1.644 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.342 1.773 11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.965 3.680 13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.504 4.162 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.611 3.799 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.548 5.184 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.500 5.773 12.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.162 5.838 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.241 4.529 11.555 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.844 1.181 10.276 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.285 1.277 10.143 1.00 0.00 C ATOM 1363 C LYS A 87 -14.541 2.374 9.110 1.00 0.00 C ATOM 1364 O LYS A 87 -14.788 3.521 9.482 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.911 1.621 11.506 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.445 1.628 11.449 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.011 2.209 12.755 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.547 2.265 12.761 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.166 0.931 12.909 1.00 0.00 N ATOM 0 H LYS A 87 -12.351 1.927 9.785 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.735 0.338 9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.579 0.897 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.556 2.599 11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.784 2.221 10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.817 0.615 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.670 1.604 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.614 3.213 12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.880 2.908 13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.893 2.721 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.202 1.027 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.873 0.323 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.860 0.504 13.806 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.410 2.024 7.827 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.582 2.891 6.664 1.00 0.00 C ATOM 1385 C LYS A 88 -13.560 4.033 6.614 1.00 0.00 C ATOM 1386 O LYS A 88 -12.752 4.073 5.698 1.00 0.00 O ATOM 1387 CB LYS A 88 -16.030 3.388 6.537 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.299 3.862 5.101 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.626 4.622 5.001 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.910 4.963 3.529 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.072 5.862 3.371 1.00 0.00 N ATOM 0 H LYS A 88 -14.166 1.070 7.560 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.378 2.279 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.722 2.588 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.206 4.205 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.484 4.506 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.319 3.003 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.436 4.017 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.581 5.535 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.029 5.433 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.089 4.042 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.222 6.062 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.920 5.405 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.893 6.753 3.877 1.00 0.00 H new ATOM 1405 N THR A 89 -13.604 4.942 7.591 1.00 0.00 N ATOM 1406 CA THR A 89 -12.677 6.042 7.823 1.00 0.00 C ATOM 1407 C THR A 89 -11.280 5.742 7.291 1.00 0.00 C ATOM 1408 O THR A 89 -10.870 6.281 6.266 1.00 0.00 O ATOM 1409 CB THR A 89 -12.625 6.329 9.333 1.00 0.00 C ATOM 1410 OG1 THR A 89 -12.487 5.121 10.086 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.906 7.047 9.756 1.00 0.00 C ATOM 0 H THR A 89 -14.346 4.923 8.291 1.00 0.00 H new ATOM 0 HA THR A 89 -13.036 6.917 7.281 1.00 0.00 H new ATOM 0 HB THR A 89 -11.757 6.957 9.533 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.317 4.603 10.028 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.872 7.252 10.826 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.994 7.986 9.210 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.767 6.416 9.535 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.572 4.841 7.977 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.212 4.501 7.603 1.00 0.00 C ATOM 1421 C GLU A 90 -9.119 4.031 6.150 1.00 0.00 C ATOM 1422 O GLU A 90 -8.195 4.394 5.431 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.639 3.469 8.567 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.121 3.527 8.436 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.412 2.585 9.380 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.503 2.822 10.603 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.788 1.641 8.861 1.00 0.00 O ATOM 0 H GLU A 90 -10.924 4.339 8.792 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.608 5.406 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.946 3.686 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.008 2.472 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.841 3.285 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.784 4.546 8.627 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.106 3.247 5.721 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.203 2.736 4.361 1.00 0.00 C ATOM 1436 C ARG A 91 -10.179 3.864 3.321 1.00 0.00 C ATOM 1437 O ARG A 91 -9.789 3.628 2.182 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.471 1.876 4.213 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.258 0.696 3.259 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.589 0.215 2.660 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.666 0.054 3.652 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.813 -0.983 4.490 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -12.861 -1.913 4.573 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.914 -1.084 5.243 1.00 0.00 N ATOM 0 H ARG A 91 -10.873 2.945 6.322 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.328 2.114 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.771 1.501 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.288 2.496 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.582 0.991 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.780 -0.125 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.912 0.926 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.426 -0.738 2.157 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.362 0.797 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.021 -1.836 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.973 -2.702 5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.642 -0.372 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.026 -1.873 5.880 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.600 5.074 3.702 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.535 6.261 2.883 1.00 0.00 C ATOM 1460 C GLU A 92 -9.190 6.951 3.153 1.00 0.00 C ATOM 1461 O GLU A 92 -8.402 7.183 2.243 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.749 7.129 3.265 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.212 8.067 2.144 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.239 7.381 1.252 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.341 7.106 1.779 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.900 7.138 0.077 1.00 0.00 O ATOM 0 H GLU A 92 -11.007 5.247 4.621 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.581 6.055 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.576 6.478 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.498 7.723 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.644 8.970 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.355 8.377 1.547 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.933 7.289 4.421 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.803 8.089 4.878 1.00 0.00 C ATOM 1475 C ASP A 93 -6.478 7.550 4.362 1.00 0.00 C ATOM 1476 O ASP A 93 -5.742 8.274 3.701 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.823 8.201 6.409 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.844 9.211 6.885 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.482 10.403 6.915 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -10.020 8.829 7.073 1.00 0.00 O ATOM 0 H ASP A 93 -9.538 6.996 5.188 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.904 9.091 4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.047 7.226 6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.834 8.488 6.765 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.163 6.290 4.643 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.947 5.646 4.158 1.00 0.00 C ATOM 1487 C LEU A 94 -4.801 5.825 2.652 1.00 0.00 C ATOM 1488 O LEU A 94 -3.794 6.332 2.158 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.016 4.156 4.503 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.443 3.817 5.886 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.000 3.407 5.676 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.464 4.941 6.926 1.00 0.00 C ATOM 0 H LEU A 94 -6.748 5.683 5.217 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.081 6.105 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.055 3.830 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.473 3.591 3.746 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.086 3.039 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.550 3.156 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.961 2.539 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.450 4.231 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.034 4.580 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.881 5.786 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.493 5.258 7.099 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.844 5.442 1.924 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.866 5.493 0.475 1.00 0.00 C ATOM 1506 C ILE A 95 -5.732 6.947 -0.006 1.00 0.00 C ATOM 1507 O ILE A 95 -5.355 7.179 -1.154 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.141 4.774 -0.018 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.013 3.242 0.065 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.458 5.082 -1.488 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.721 2.637 1.440 1.00 0.00 C ATOM 0 H ILE A 95 -6.707 5.083 2.333 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.014 4.969 0.042 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.929 5.143 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.940 2.805 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.220 2.932 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.363 4.552 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.609 6.154 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.627 4.759 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.656 1.552 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.776 3.028 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.523 2.899 2.131 1.00 0.00 H new ATOM 1523 N ALA A 96 -5.988 7.936 0.861 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.018 9.332 0.485 1.00 0.00 C ATOM 1525 C ALA A 96 -4.617 9.890 0.685 1.00 0.00 C ATOM 1526 O ALA A 96 -4.090 10.574 -0.191 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.074 10.058 1.320 1.00 0.00 C ATOM 0 H ALA A 96 -6.180 7.774 1.850 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.298 9.470 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.099 11.111 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.051 9.611 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.825 9.971 2.378 1.00 0.00 H new ATOM 1533 N TYR A 97 -3.979 9.530 1.807 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.576 9.816 2.009 1.00 0.00 C ATOM 1535 C TYR A 97 -1.787 9.296 0.825 1.00 0.00 C ATOM 1536 O TYR A 97 -1.012 10.036 0.237 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.005 9.176 3.279 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.475 9.255 3.344 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.172 10.392 2.830 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.317 8.184 3.802 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.564 10.454 2.722 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.726 8.267 3.743 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.353 9.397 3.179 1.00 0.00 C ATOM 1544 OH TYR A 97 3.706 9.473 3.037 1.00 0.00 O ATOM 0 H TYR A 97 -4.425 9.040 2.583 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.489 10.898 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.428 9.672 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.313 8.131 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.420 11.237 2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.154 7.297 4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.031 11.323 2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.327 7.459 4.133 1.00 0.00 H new ATOM 0 HH TYR A 97 3.937 10.281 2.532 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.946 8.025 0.470 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.091 7.468 -0.566 1.00 0.00 C ATOM 1556 C LEU A 98 -1.273 8.165 -1.910 1.00 0.00 C ATOM 1557 O LEU A 98 -0.372 8.142 -2.746 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.250 5.957 -0.646 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.900 5.310 0.700 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.093 3.800 0.560 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.510 5.662 1.201 1.00 0.00 C ATOM 0 H LEU A 98 -2.632 7.384 0.868 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.056 7.663 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.275 5.707 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.603 5.558 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.568 5.710 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.851 3.313 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.130 3.588 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.436 3.420 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.690 5.170 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.249 5.324 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.592 6.742 1.327 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.406 8.844 -2.088 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.688 9.593 -3.299 1.00 0.00 C ATOM 1575 C LYS A 99 -1.850 10.876 -3.386 1.00 0.00 C ATOM 1576 O LYS A 99 -1.724 11.442 -4.471 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.200 9.846 -3.389 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.715 9.597 -4.811 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.232 9.393 -4.833 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.008 10.593 -4.272 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.455 10.453 -4.529 1.00 0.00 N ATOM 0 H LYS A 99 -3.151 8.886 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.392 9.007 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.724 9.194 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.419 10.872 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.452 10.442 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.223 8.718 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.553 9.207 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.482 8.504 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.832 10.676 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.641 11.513 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.974 10.511 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.771 11.216 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.641 9.533 -4.978 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.266 11.317 -2.265 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.238 12.350 -2.226 1.00 0.00 C ATOM 1597 C LYS A 100 1.151 11.773 -1.928 1.00 0.00 C ATOM 1598 O LYS A 100 2.133 12.417 -2.278 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.594 13.498 -1.267 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.688 13.100 0.214 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.200 14.241 1.121 1.00 0.00 C ATOM 1602 CE LYS A 100 1.330 14.129 1.235 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.012 15.384 1.596 1.00 0.00 N ATOM 0 H LYS A 100 -1.504 10.954 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.199 12.778 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.155 14.283 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.548 13.926 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.719 12.848 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.090 12.207 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.482 15.208 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.663 14.171 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.571 13.372 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.727 13.776 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.980 15.174 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.048 16.010 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.490 15.855 2.363 1.00 0.00 H new ATOM 1617 N ALA A 101 1.264 10.592 -1.305 1.00 0.00 N ATOM 1618 CA ALA A 101 2.552 9.953 -1.024 1.00 0.00 C ATOM 1619 C ALA A 101 3.337 9.757 -2.316 1.00 0.00 C ATOM 1620 O ALA A 101 4.556 9.884 -2.344 1.00 0.00 O ATOM 1621 CB ALA A 101 2.376 8.602 -0.335 1.00 0.00 C ATOM 0 H ALA A 101 0.461 10.053 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 101 3.100 10.613 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.354 8.161 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.850 8.741 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.798 7.938 -0.978 1.00 0.00 H new ATOM 1627 N THR A 102 2.619 9.440 -3.395 1.00 0.00 N ATOM 1628 CA THR A 102 3.215 9.305 -4.713 1.00 0.00 C ATOM 1629 C THR A 102 3.732 10.643 -5.263 1.00 0.00 C ATOM 1630 O THR A 102 4.603 10.653 -6.132 1.00 0.00 O ATOM 1631 CB THR A 102 2.152 8.707 -5.638 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.943 9.424 -5.466 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.898 7.243 -5.273 1.00 0.00 C ATOM 0 H THR A 102 1.613 9.272 -3.374 1.00 0.00 H new ATOM 0 HA THR A 102 4.087 8.654 -4.650 1.00 0.00 H new ATOM 0 HB THR A 102 2.500 8.771 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.255 9.051 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.140 6.829 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.823 6.676 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.550 7.180 -4.242 1.00 0.00 H new ATOM 1641 N ASN A 103 3.158 11.763 -4.808 1.00 0.00 N ATOM 1642 CA ASN A 103 3.412 13.098 -5.336 1.00 0.00 C ATOM 1643 C ASN A 103 4.462 13.856 -4.522 1.00 0.00 C ATOM 1644 O ASN A 103 5.303 14.528 -5.113 1.00 0.00 O ATOM 1645 CB ASN A 103 2.095 13.880 -5.389 1.00 0.00 C ATOM 1646 CG ASN A 103 2.298 15.260 -6.005 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.387 15.395 -7.220 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.351 16.303 -5.180 1.00 0.00 N ATOM 0 H ASN A 103 2.486 11.760 -4.041 1.00 0.00 H new ATOM 0 HA ASN A 103 3.818 12.993 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.361 13.323 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.690 13.984 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.468 17.244 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.274 16.161 -4.173 1.00 0.00 H new ATOM 1655 N GLU A 104 4.392 13.787 -3.187 1.00 0.00 N ATOM 1656 CA GLU A 104 5.429 14.349 -2.331 1.00 0.00 C ATOM 1657 C GLU A 104 6.747 13.640 -2.643 1.00 0.00 C ATOM 1658 O GLU A 104 6.725 12.446 -3.003 1.00 0.00 O ATOM 1659 CB GLU A 104 5.028 14.288 -0.842 1.00 0.00 C ATOM 1660 CG GLU A 104 4.925 12.878 -0.235 1.00 0.00 C ATOM 1661 CD GLU A 104 4.463 12.872 1.220 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.179 13.980 1.736 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.325 11.764 1.785 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.819 14.281 -2.685 1.00 0.00 O ATOM 0 H GLU A 104 3.624 13.345 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 104 5.560 15.411 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.755 14.859 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.065 14.786 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.231 12.285 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.898 12.391 -0.301 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.783 -3.443 2.920 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.623 -4.620 -0.350 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.012 -0.909 1.564 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.966 -2.525 6.119 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.899 -5.905 4.227 1.00 0.00 C HETATM 1677 NA HEC A 105 1.342 -2.895 0.947 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.814 -3.481 -0.215 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.364 -2.656 -1.320 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.522 -1.694 -0.786 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.600 -1.793 0.657 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.404 -0.761 -1.542 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.725 -2.837 -2.792 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.212 -2.682 -3.173 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.428 -2.067 -4.562 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.686 -0.846 -4.618 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.357 -2.809 -5.573 1.00 0.00 O HETATM 1688 NB HEC A 105 0.671 -1.996 3.704 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.041 -1.048 2.967 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.538 -0.117 3.908 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.348 -0.614 5.185 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.473 -1.787 5.044 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.059 1.237 3.533 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.965 -0.135 6.495 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.491 -0.138 6.448 1.00 0.00 C HETATM 1696 NC HEC A 105 2.320 -4.103 4.822 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.854 -3.568 5.970 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.476 -4.250 7.074 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.396 -5.122 6.538 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.214 -5.086 5.106 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.230 -3.954 8.531 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.566 -5.773 7.253 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.207 -6.996 8.097 1.00 0.00 C HETATM 1704 ND HEC A 105 3.015 -5.007 2.087 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.768 -5.854 2.841 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.462 -6.739 1.943 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.101 -6.411 0.662 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.178 -5.295 0.745 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.491 -7.773 2.309 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.704 -7.075 -0.558 1.00 0.00 C HETATM 1711 CBD HEC A 105 4.106 -8.455 -0.868 1.00 0.00 C HETATM 1712 CGD HEC A 105 2.829 -8.367 -1.686 1.00 0.00 C HETATM 1713 O1D HEC A 105 2.735 -7.414 -2.485 1.00 0.00 O HETATM 1714 O2D HEC A 105 1.987 -9.272 -1.511 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.338 -7.288 2.793 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.050 -8.499 2.992 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.831 -8.283 1.408 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.503 -2.920 8.743 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.175 -4.105 8.760 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.834 -4.622 9.145 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.253 1.830 3.100 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.862 1.129 2.804 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.441 1.739 4.422 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.180 -0.142 -2.224 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.125 -1.347 -2.112 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.933 -0.122 -0.835 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 4.840 -9.052 -1.410 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.899 -8.976 0.067 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.491 -6.709 8.867 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.766 -7.762 7.459 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.108 -7.390 8.568 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.832 0.523 5.651 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.847 -1.150 6.256 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.885 0.211 7.403 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.707 -2.059 -2.428 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.691 -3.660 -3.139 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.563 -6.425 -1.422 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.779 -7.179 -0.410 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.398 -3.830 -3.101 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.150 -2.116 -3.373 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.587 -6.639 4.646 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.634 -2.265 7.124 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.563 -0.061 1.156 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.829 -4.996 -1.352 1.00 0.00 H new HETATM 0 H2D HEC A 105 1.133 -9.007 -1.912 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.196 -3.305 -5.674 1.00 0.00 H new