USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -78:sc= 0.712 USER MOD Set 1.2: A 103 ASN : amide:sc= -4.86! K(o=-4.1!,f=-0.91) USER MOD Set 2.1: A 67 TYR OH : rot 21:sc= 0.643 USER MOD Set 2.2: A 80 MET CE :methyl 137:sc= -0.192 (180deg=-2.44!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -171:sc= 0.44 (180deg=-0.841) USER MOD Set 3.2: A 58 THR OG1 : rot -110:sc= 0.448 USER MOD Set 4.1: A 31 ASN : amide:sc= -1.01 K(o=-5.2,f=-16!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -4.22! C(o=-5.2!,f=-12!) USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= 0.321 (180deg=0.114) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0209) USER MOD Single : A 12 GLN : amide:sc= -2.02! C(o=-2!,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -1.6 (180deg=-3.16!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0816 USER MOD Single : A 16 GLN : amide:sc= -0.569 K(o=-0.57,f=1) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-6.3!) USER MOD Single : A 19 THR OG1 : rot 160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.368 K(o=0.37,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= -2.21! (180deg=-4.66!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 84:sc= -0.841 USER MOD Single : A 42 GLN : amide:sc= -4.44! K(o=-4.4!,f=0.043) USER MOD Single : A 47 THR OG1 : rot 36:sc= 0.133 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 140:sc=-0.00914 USER MOD Single : A 52 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.3!) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.594) USER MOD Single : A 54 ASN : amide:sc= -9.85! C(o=-9.9!,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.51! USER MOD Single : A 65 MET CE :methyl -172:sc= 0 (180deg=-0.0183) USER MOD Single : A 70 ASN : amide:sc= -6.23! K(o=-6.2!,f=-0.61) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -2.8 (180deg=-4.34!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc=-0.00732 (180deg=-0.157) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.0649 (180deg=-0.543) USER MOD Single : A 88 LYS NZ :NH3+ -103:sc= -0.409 (180deg=-1.48!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 143:sc= 0.102 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= 0.539 (180deg=-1.88!) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -0.0687 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.344 8.295 -8.758 1.00 0.00 N ATOM 11 CA ASP A 2 73.869 7.542 -9.917 1.00 0.00 C ATOM 12 C ASP A 2 74.269 6.078 -9.804 1.00 0.00 C ATOM 13 O ASP A 2 75.309 5.668 -10.317 1.00 0.00 O ATOM 14 CB ASP A 2 74.455 8.130 -11.199 1.00 0.00 C ATOM 15 CG ASP A 2 73.953 9.556 -11.400 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.791 10.251 -10.411 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.741 9.933 -12.541 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.782 7.611 -9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.544 8.124 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.173 7.514 -12.053 1.00 0.00 H new ATOM 22 N VAL A 3 73.432 5.293 -9.138 1.00 0.00 N ATOM 23 CA VAL A 3 73.703 3.872 -8.970 1.00 0.00 C ATOM 24 C VAL A 3 74.084 3.244 -10.308 1.00 0.00 C ATOM 25 O VAL A 3 74.655 2.154 -10.352 1.00 0.00 O ATOM 26 CB VAL A 3 72.464 3.171 -8.406 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.265 3.438 -9.318 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.719 1.665 -8.332 1.00 0.00 C ATOM 0 H VAL A 3 72.565 5.614 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 3 74.534 3.753 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 3 72.255 3.555 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.384 2.939 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.081 4.511 -9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.475 3.055 -10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.837 1.166 -7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.930 1.282 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.572 1.472 -7.682 1.00 0.00 H new ATOM 38 N GLU A 4 73.762 3.938 -11.397 1.00 0.00 N ATOM 39 CA GLU A 4 74.076 3.429 -12.728 1.00 0.00 C ATOM 40 C GLU A 4 75.568 3.555 -13.018 1.00 0.00 C ATOM 41 O GLU A 4 76.246 2.560 -13.279 1.00 0.00 O ATOM 42 CB GLU A 4 73.282 4.201 -13.784 1.00 0.00 C ATOM 43 CG GLU A 4 71.799 3.847 -13.668 1.00 0.00 C ATOM 44 CD GLU A 4 71.568 2.410 -14.125 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.392 2.208 -15.315 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 71.572 1.533 -13.277 1.00 0.00 O ATOM 0 H GLU A 4 73.290 4.842 -11.385 1.00 0.00 H new ATOM 0 HA GLU A 4 73.801 2.375 -12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.422 5.273 -13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.648 3.956 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.468 3.967 -12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.205 4.530 -14.275 1.00 0.00 H new ATOM 53 N LYS A 5 76.077 4.780 -12.964 1.00 0.00 N ATOM 54 CA LYS A 5 77.493 5.011 -13.216 1.00 0.00 C ATOM 55 C LYS A 5 78.313 4.524 -12.032 1.00 0.00 C ATOM 56 O LYS A 5 79.513 4.278 -12.152 1.00 0.00 O ATOM 57 CB LYS A 5 77.753 6.500 -13.455 1.00 0.00 C ATOM 58 CG LYS A 5 77.277 6.883 -14.859 1.00 0.00 C ATOM 59 CD LYS A 5 77.168 8.410 -14.974 1.00 0.00 C ATOM 60 CE LYS A 5 75.788 8.871 -14.495 1.00 0.00 C ATOM 61 NZ LYS A 5 75.653 10.340 -14.710 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.538 5.619 -12.751 1.00 0.00 H new ATOM 0 HA LYS A 5 77.788 4.457 -14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.230 7.096 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.816 6.716 -13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.974 6.502 -15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.310 6.424 -15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.947 8.885 -14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.325 8.718 -16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.006 8.340 -15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.660 8.634 -13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.968 10.729 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.577 10.798 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.320 10.520 -15.679 1.00 0.00 H new ATOM 75 N GLY A 6 77.649 4.363 -10.895 1.00 0.00 N ATOM 76 CA GLY A 6 78.322 3.876 -9.702 1.00 0.00 C ATOM 77 C GLY A 6 78.631 2.401 -9.876 1.00 0.00 C ATOM 78 O GLY A 6 79.672 1.908 -9.439 1.00 0.00 O ATOM 0 H GLY A 6 76.655 4.561 -10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.242 4.436 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.692 4.028 -8.826 1.00 0.00 H new ATOM 82 N LYS A 7 77.716 1.706 -10.543 1.00 0.00 N ATOM 83 CA LYS A 7 77.886 0.287 -10.805 1.00 0.00 C ATOM 84 C LYS A 7 79.014 0.082 -11.809 1.00 0.00 C ATOM 85 O LYS A 7 79.822 -0.834 -11.667 1.00 0.00 O ATOM 86 CB LYS A 7 76.586 -0.299 -11.362 1.00 0.00 C ATOM 87 CG LYS A 7 76.693 -1.827 -11.428 1.00 0.00 C ATOM 88 CD LYS A 7 75.592 -2.387 -12.339 1.00 0.00 C ATOM 89 CE LYS A 7 76.082 -2.415 -13.790 1.00 0.00 C ATOM 90 NZ LYS A 7 74.914 -2.535 -14.707 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.852 2.104 -10.910 1.00 0.00 H new ATOM 0 HA LYS A 7 78.136 -0.221 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.746 -0.011 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.390 0.105 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.673 -2.116 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.601 -2.251 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.319 -3.392 -12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.695 -1.773 -12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.641 -1.507 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.762 -3.253 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.247 -2.554 -15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.398 -3.414 -14.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.281 -1.721 -14.571 1.00 0.00 H new ATOM 104 N LYS A 8 79.064 0.943 -12.823 1.00 0.00 N ATOM 105 CA LYS A 8 80.102 0.842 -13.842 1.00 0.00 C ATOM 106 C LYS A 8 81.489 0.952 -13.214 1.00 0.00 C ATOM 107 O LYS A 8 82.358 0.104 -13.437 1.00 0.00 O ATOM 108 CB LYS A 8 79.919 1.951 -14.884 1.00 0.00 C ATOM 109 CG LYS A 8 81.046 1.879 -15.929 1.00 0.00 C ATOM 110 CD LYS A 8 82.120 2.932 -15.623 1.00 0.00 C ATOM 111 CE LYS A 8 81.691 4.289 -16.191 1.00 0.00 C ATOM 112 NZ LYS A 8 81.990 4.332 -17.650 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.405 1.710 -12.959 1.00 0.00 H new ATOM 0 HA LYS A 8 80.015 -0.131 -14.326 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.951 1.846 -15.373 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.926 2.925 -14.396 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.491 0.884 -15.927 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.638 2.044 -16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.271 3.009 -14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.073 2.630 -16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.626 4.446 -16.022 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.217 5.093 -15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.242 5.303 -17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.785 3.695 -17.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 81.152 4.028 -18.185 1.00 0.00 H new ATOM 126 N ILE A 9 81.692 2.003 -12.430 1.00 0.00 N ATOM 127 CA ILE A 9 82.976 2.218 -11.781 1.00 0.00 C ATOM 128 C ILE A 9 83.292 1.085 -10.812 1.00 0.00 C ATOM 129 O ILE A 9 84.454 0.815 -10.527 1.00 0.00 O ATOM 130 CB ILE A 9 82.959 3.543 -11.018 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.676 4.691 -11.991 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.318 3.764 -10.350 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.245 5.932 -11.205 1.00 0.00 C ATOM 0 H ILE A 9 80.989 2.714 -12.230 1.00 0.00 H new ATOM 0 HA ILE A 9 83.745 2.246 -12.553 1.00 0.00 H new ATOM 0 HB ILE A 9 82.180 3.513 -10.257 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.567 4.911 -12.579 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.894 4.402 -12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.307 4.708 -9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.519 2.948 -9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.097 3.793 -11.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.044 6.749 -11.897 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.343 5.707 -10.636 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.042 6.224 -10.521 1.00 0.00 H new ATOM 145 N PHE A 10 82.253 0.441 -10.294 1.00 0.00 N ATOM 146 CA PHE A 10 82.441 -0.643 -9.333 1.00 0.00 C ATOM 147 C PHE A 10 82.899 -1.937 -10.010 1.00 0.00 C ATOM 148 O PHE A 10 83.887 -2.541 -9.593 1.00 0.00 O ATOM 149 CB PHE A 10 81.129 -0.895 -8.578 1.00 0.00 C ATOM 150 CG PHE A 10 81.094 -2.320 -8.072 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.598 -3.339 -8.892 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.570 -2.620 -6.791 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.576 -4.660 -8.434 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.546 -3.944 -6.330 1.00 0.00 C ATOM 155 CZ PHE A 10 81.051 -4.963 -7.154 1.00 0.00 C ATOM 0 H PHE A 10 81.280 0.647 -10.519 1.00 0.00 H new ATOM 0 HA PHE A 10 83.223 -0.337 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.041 -0.201 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.279 -0.712 -9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.231 -3.105 -9.881 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.955 -1.834 -6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.193 -5.446 -9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.909 -4.178 -5.340 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.036 -5.983 -6.801 1.00 0.00 H new ATOM 165 N VAL A 11 82.170 -2.366 -11.035 1.00 0.00 N ATOM 166 CA VAL A 11 82.505 -3.606 -11.733 1.00 0.00 C ATOM 167 C VAL A 11 83.940 -3.586 -12.229 1.00 0.00 C ATOM 168 O VAL A 11 84.576 -4.630 -12.361 1.00 0.00 O ATOM 169 CB VAL A 11 81.571 -3.825 -12.923 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.143 -4.023 -12.423 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.617 -2.607 -13.845 1.00 0.00 C ATOM 0 H VAL A 11 81.351 -1.880 -11.400 1.00 0.00 H new ATOM 0 HA VAL A 11 82.386 -4.422 -11.020 1.00 0.00 H new ATOM 0 HB VAL A 11 81.893 -4.710 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.478 -4.179 -13.273 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.104 -4.893 -11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.825 -3.139 -11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.950 -2.767 -14.692 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.299 -1.722 -13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.635 -2.463 -14.207 1.00 0.00 H new ATOM 181 N GLN A 12 84.436 -2.398 -12.536 1.00 0.00 N ATOM 182 CA GLN A 12 85.794 -2.274 -13.056 1.00 0.00 C ATOM 183 C GLN A 12 86.819 -1.961 -11.961 1.00 0.00 C ATOM 184 O GLN A 12 88.002 -2.256 -12.125 1.00 0.00 O ATOM 185 CB GLN A 12 85.839 -1.184 -14.125 1.00 0.00 C ATOM 186 CG GLN A 12 85.539 0.177 -13.499 1.00 0.00 C ATOM 187 CD GLN A 12 85.451 1.230 -14.596 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.193 2.402 -14.319 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.656 0.879 -15.835 1.00 0.00 N ATOM 0 H GLN A 12 83.931 -1.517 -12.438 1.00 0.00 H new ATOM 0 HA GLN A 12 86.063 -3.239 -13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.821 -1.167 -14.597 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.112 -1.401 -14.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.602 0.136 -12.943 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.320 0.442 -12.787 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.869 -0.092 -16.061 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.603 1.576 -16.578 1.00 0.00 H new ATOM 198 N LYS A 13 86.384 -1.340 -10.863 1.00 0.00 N ATOM 199 CA LYS A 13 87.325 -0.980 -9.793 1.00 0.00 C ATOM 200 C LYS A 13 87.294 -1.935 -8.596 1.00 0.00 C ATOM 201 O LYS A 13 88.300 -2.566 -8.282 1.00 0.00 O ATOM 202 CB LYS A 13 87.045 0.445 -9.299 1.00 0.00 C ATOM 203 CG LYS A 13 87.557 1.471 -10.328 1.00 0.00 C ATOM 204 CD LYS A 13 88.794 2.187 -9.776 1.00 0.00 C ATOM 205 CE LYS A 13 88.392 3.098 -8.609 1.00 0.00 C ATOM 206 NZ LYS A 13 88.556 4.523 -9.015 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.413 -1.080 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 13 88.319 -1.051 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 13 85.975 0.580 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 13 87.533 0.608 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.803 0.969 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 13 86.775 2.197 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 13 89.529 1.455 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.266 2.776 -10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 13 87.358 2.906 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 13 89.009 2.884 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.670 5.115 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 89.398 4.617 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 87.715 4.833 -9.543 1.00 0.00 H new ATOM 220 N CYS A 14 86.168 -1.983 -7.886 1.00 0.00 N ATOM 221 CA CYS A 14 86.077 -2.806 -6.673 1.00 0.00 C ATOM 222 C CYS A 14 85.771 -4.281 -6.936 1.00 0.00 C ATOM 223 O CYS A 14 86.298 -5.150 -6.242 1.00 0.00 O ATOM 224 CB CYS A 14 85.019 -2.216 -5.737 1.00 0.00 C ATOM 225 SG CYS A 14 84.967 -0.410 -5.927 1.00 0.00 S ATOM 0 H CYS A 14 85.317 -1.472 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 14 87.065 -2.784 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.042 -2.643 -5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.249 -2.476 -4.704 1.00 0.00 H new ATOM 0 HG CYS A 14 84.065 0.084 -5.131 1.00 0.00 H new ATOM 230 N ALA A 15 84.924 -4.576 -7.907 1.00 0.00 N ATOM 231 CA ALA A 15 84.583 -5.969 -8.183 1.00 0.00 C ATOM 232 C ALA A 15 85.843 -6.829 -8.260 1.00 0.00 C ATOM 233 O ALA A 15 85.802 -8.032 -8.001 1.00 0.00 O ATOM 234 CB ALA A 15 83.810 -6.073 -9.496 1.00 0.00 C ATOM 0 H ALA A 15 84.466 -3.890 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 15 83.959 -6.334 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.562 -7.116 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.893 -5.489 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.423 -5.688 -10.311 1.00 0.00 H new ATOM 240 N GLN A 16 86.958 -6.207 -8.624 1.00 0.00 N ATOM 241 CA GLN A 16 88.223 -6.924 -8.743 1.00 0.00 C ATOM 242 C GLN A 16 88.488 -7.810 -7.523 1.00 0.00 C ATOM 243 O GLN A 16 88.519 -9.034 -7.638 1.00 0.00 O ATOM 244 CB GLN A 16 89.372 -5.928 -8.912 1.00 0.00 C ATOM 245 CG GLN A 16 89.364 -5.372 -10.338 1.00 0.00 C ATOM 246 CD GLN A 16 90.407 -4.267 -10.473 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.110 -3.192 -10.995 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.618 -4.467 -10.030 1.00 0.00 N ATOM 0 H GLN A 16 87.013 -5.212 -8.841 1.00 0.00 H new ATOM 0 HA GLN A 16 88.158 -7.568 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.270 -5.115 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.324 -6.418 -8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.574 -6.170 -11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.375 -4.982 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.862 -5.358 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.320 -3.732 -10.116 1.00 0.00 H new ATOM 257 N CYS A 17 88.700 -7.189 -6.359 1.00 0.00 N ATOM 258 CA CYS A 17 88.985 -7.950 -5.137 1.00 0.00 C ATOM 259 C CYS A 17 87.891 -7.761 -4.082 1.00 0.00 C ATOM 260 O CYS A 17 88.190 -7.541 -2.910 1.00 0.00 O ATOM 261 CB CYS A 17 90.341 -7.515 -4.548 1.00 0.00 C ATOM 262 SG CYS A 17 91.338 -6.699 -5.823 1.00 0.00 S ATOM 0 H CYS A 17 88.681 -6.177 -6.236 1.00 0.00 H new ATOM 0 HA CYS A 17 89.018 -9.005 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.182 -6.837 -3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.873 -8.383 -4.159 1.00 0.00 H new ATOM 0 HG CYS A 17 92.478 -6.334 -5.315 1.00 0.00 H new ATOM 267 N HIS A 18 86.626 -7.861 -4.490 1.00 0.00 N ATOM 268 CA HIS A 18 85.524 -7.706 -3.538 1.00 0.00 C ATOM 269 C HIS A 18 84.274 -8.443 -4.013 1.00 0.00 C ATOM 270 O HIS A 18 84.286 -9.114 -5.044 1.00 0.00 O ATOM 271 CB HIS A 18 85.194 -6.225 -3.342 1.00 0.00 C ATOM 272 CG HIS A 18 86.223 -5.582 -2.450 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.864 -6.270 -1.428 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.725 -4.308 -2.414 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.709 -5.410 -0.829 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.660 -4.201 -1.393 1.00 0.00 N ATOM 0 H HIS A 18 86.341 -8.045 -5.452 1.00 0.00 H new ATOM 0 HA HIS A 18 85.845 -8.138 -2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.170 -5.719 -4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.202 -6.120 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.437 -3.508 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.347 -5.666 0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.196 -3.374 -1.130 1.00 0.00 H new ATOM 284 N THR A 19 83.198 -8.312 -3.237 1.00 0.00 N ATOM 285 CA THR A 19 81.934 -8.968 -3.562 1.00 0.00 C ATOM 286 C THR A 19 80.764 -8.009 -3.327 1.00 0.00 C ATOM 287 O THR A 19 79.822 -7.956 -4.118 1.00 0.00 O ATOM 288 CB THR A 19 81.773 -10.215 -2.681 1.00 0.00 C ATOM 289 OG1 THR A 19 82.836 -10.258 -1.740 1.00 0.00 O ATOM 290 CG2 THR A 19 81.814 -11.478 -3.544 1.00 0.00 C ATOM 0 H THR A 19 83.177 -7.758 -2.381 1.00 0.00 H new ATOM 0 HA THR A 19 81.938 -9.259 -4.612 1.00 0.00 H new ATOM 0 HB THR A 19 80.815 -10.168 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.586 -10.837 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.699 -12.356 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.003 -11.448 -4.272 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.769 -11.531 -4.067 1.00 0.00 H new ATOM 298 N VAL A 20 80.840 -7.258 -2.234 1.00 0.00 N ATOM 299 CA VAL A 20 79.799 -6.296 -1.880 1.00 0.00 C ATOM 300 C VAL A 20 78.403 -6.889 -2.048 1.00 0.00 C ATOM 301 O VAL A 20 77.422 -6.155 -2.160 1.00 0.00 O ATOM 302 CB VAL A 20 79.936 -5.024 -2.724 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.365 -4.493 -2.615 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.625 -5.324 -4.189 1.00 0.00 C ATOM 0 H VAL A 20 81.616 -7.296 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 20 79.931 -6.043 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 20 79.232 -4.279 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.464 -3.588 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.590 -4.264 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.062 -5.248 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.726 -4.412 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.321 -6.075 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.605 -5.700 -4.275 1.00 0.00 H new ATOM 314 N GLU A 21 78.313 -8.218 -2.055 1.00 0.00 N ATOM 315 CA GLU A 21 77.020 -8.887 -2.197 1.00 0.00 C ATOM 316 C GLU A 21 76.654 -9.615 -0.907 1.00 0.00 C ATOM 317 O GLU A 21 77.287 -10.602 -0.534 1.00 0.00 O ATOM 318 CB GLU A 21 77.057 -9.882 -3.362 1.00 0.00 C ATOM 319 CG GLU A 21 78.366 -10.675 -3.335 1.00 0.00 C ATOM 320 CD GLU A 21 78.209 -11.966 -4.132 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.295 -12.716 -3.833 1.00 0.00 O ATOM 322 OE2 GLU A 21 79.005 -12.185 -5.031 1.00 0.00 O1- ATOM 0 H GLU A 21 79.110 -8.848 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 21 76.264 -8.130 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 76.209 -10.563 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 21 76.965 -9.349 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 21 79.173 -10.075 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 21 78.641 -10.904 -2.305 1.00 0.00 H new ATOM 329 N LYS A 22 75.628 -9.117 -0.226 1.00 0.00 N ATOM 330 CA LYS A 22 75.189 -9.726 1.022 1.00 0.00 C ATOM 331 C LYS A 22 74.830 -11.191 0.806 1.00 0.00 C ATOM 332 O LYS A 22 73.889 -11.510 0.078 1.00 0.00 O ATOM 333 CB LYS A 22 73.975 -8.970 1.572 1.00 0.00 C ATOM 334 CG LYS A 22 73.578 -9.537 2.947 1.00 0.00 C ATOM 335 CD LYS A 22 72.390 -10.499 2.801 1.00 0.00 C ATOM 336 CE LYS A 22 71.081 -9.704 2.773 1.00 0.00 C ATOM 337 NZ LYS A 22 69.939 -10.638 2.556 1.00 0.00 N1+ ATOM 0 H LYS A 22 75.089 -8.300 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 22 76.006 -9.670 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 22 74.207 -7.909 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.138 -9.056 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.425 -10.059 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.315 -8.723 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.492 -11.082 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.379 -11.207 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 22 70.950 -9.164 3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.112 -8.959 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.049 -10.100 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 70.063 -11.134 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 69.907 -11.333 3.329 1.00 0.00 H new ATOM 351 N GLY A 23 75.584 -12.078 1.448 1.00 0.00 N ATOM 352 CA GLY A 23 75.337 -13.511 1.326 1.00 0.00 C ATOM 353 C GLY A 23 76.207 -14.134 0.241 1.00 0.00 C ATOM 354 O GLY A 23 75.957 -15.257 -0.198 1.00 0.00 O ATOM 0 H GLY A 23 76.366 -11.832 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.537 -13.999 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.286 -13.682 1.095 1.00 0.00 H new ATOM 358 N GLY A 24 77.230 -13.403 -0.189 1.00 0.00 N ATOM 359 CA GLY A 24 78.130 -13.905 -1.223 1.00 0.00 C ATOM 360 C GLY A 24 79.340 -14.597 -0.609 1.00 0.00 C ATOM 361 O GLY A 24 79.218 -15.327 0.375 1.00 0.00 O ATOM 0 H GLY A 24 77.456 -12.471 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.596 -14.604 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.461 -13.080 -1.854 1.00 0.00 H new ATOM 365 N LYS A 25 80.512 -14.362 -1.195 1.00 0.00 N ATOM 366 CA LYS A 25 81.743 -14.970 -0.699 1.00 0.00 C ATOM 367 C LYS A 25 82.934 -14.040 -0.922 1.00 0.00 C ATOM 368 O LYS A 25 83.265 -13.695 -2.056 1.00 0.00 O ATOM 369 CB LYS A 25 81.996 -16.304 -1.410 1.00 0.00 C ATOM 370 CG LYS A 25 81.761 -16.150 -2.921 1.00 0.00 C ATOM 371 CD LYS A 25 80.350 -16.624 -3.281 1.00 0.00 C ATOM 372 CE LYS A 25 80.114 -16.431 -4.781 1.00 0.00 C ATOM 373 NZ LYS A 25 78.818 -17.057 -5.166 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.634 -13.759 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 25 81.629 -15.145 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.018 -16.636 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.334 -17.071 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.889 -15.108 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.501 -16.729 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.229 -17.674 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.610 -16.063 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.103 -15.369 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.929 -16.880 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.658 -16.926 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 78.845 -18.074 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 78.045 -16.609 -4.634 1.00 0.00 H new ATOM 387 N HIS A 26 83.575 -13.640 0.172 1.00 0.00 N ATOM 388 CA HIS A 26 84.730 -12.754 0.090 1.00 0.00 C ATOM 389 C HIS A 26 85.787 -13.335 -0.848 1.00 0.00 C ATOM 390 O HIS A 26 86.205 -14.483 -0.693 1.00 0.00 O ATOM 391 CB HIS A 26 85.329 -12.554 1.488 1.00 0.00 C ATOM 392 CG HIS A 26 85.108 -13.794 2.312 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.487 -15.052 1.871 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.545 -13.984 3.550 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.151 -15.936 2.830 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.573 -15.337 3.875 1.00 0.00 N ATOM 0 H HIS A 26 83.316 -13.914 1.120 1.00 0.00 H new ATOM 0 HA HIS A 26 84.405 -11.792 -0.307 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.395 -12.341 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.867 -11.695 1.974 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.938 -15.269 0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.142 -13.202 4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.327 -16.999 2.762 1.00 0.00 H new ATOM 405 N LYS A 27 86.217 -12.530 -1.820 1.00 0.00 N ATOM 406 CA LYS A 27 87.230 -12.967 -2.782 1.00 0.00 C ATOM 407 C LYS A 27 88.437 -12.035 -2.744 1.00 0.00 C ATOM 408 O LYS A 27 88.298 -10.819 -2.879 1.00 0.00 O ATOM 409 CB LYS A 27 86.641 -12.976 -4.195 1.00 0.00 C ATOM 410 CG LYS A 27 87.591 -13.716 -5.143 1.00 0.00 C ATOM 411 CD LYS A 27 87.290 -13.318 -6.592 1.00 0.00 C ATOM 412 CE LYS A 27 85.799 -13.509 -6.882 1.00 0.00 C ATOM 413 NZ LYS A 27 85.048 -12.300 -6.437 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.882 -11.577 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 27 87.548 -13.974 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.665 -13.461 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.487 -11.954 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.625 -13.476 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.476 -14.793 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.572 -12.279 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.884 -13.924 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.643 -13.675 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.427 -14.393 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 84.512 -12.522 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.717 -11.529 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.390 -12.005 -7.186 1.00 0.00 H new ATOM 427 N THR A 28 89.621 -12.612 -2.557 1.00 0.00 N ATOM 428 CA THR A 28 90.848 -11.822 -2.502 1.00 0.00 C ATOM 429 C THR A 28 90.613 -10.533 -1.721 1.00 0.00 C ATOM 430 O THR A 28 91.279 -9.523 -1.946 1.00 0.00 O ATOM 431 CB THR A 28 91.318 -11.489 -3.923 1.00 0.00 C ATOM 432 OG1 THR A 28 91.321 -12.676 -4.704 1.00 0.00 O ATOM 433 CG2 THR A 28 92.731 -10.896 -3.889 1.00 0.00 C ATOM 0 H THR A 28 89.757 -13.616 -2.442 1.00 0.00 H new ATOM 0 HA THR A 28 91.617 -12.405 -1.996 1.00 0.00 H new ATOM 0 HB THR A 28 90.639 -10.757 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.619 -12.468 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.053 -10.664 -4.904 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.729 -9.984 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.418 -11.618 -3.447 1.00 0.00 H new ATOM 441 N GLY A 29 89.658 -10.581 -0.801 1.00 0.00 N ATOM 442 CA GLY A 29 89.331 -9.419 0.016 1.00 0.00 C ATOM 443 C GLY A 29 88.025 -9.646 0.772 1.00 0.00 C ATOM 444 O GLY A 29 87.200 -10.462 0.365 1.00 0.00 O ATOM 0 H GLY A 29 89.097 -11.410 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.138 -9.226 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.243 -8.536 -0.617 1.00 0.00 H new ATOM 448 N PRO A 30 87.825 -8.945 1.857 1.00 0.00 N ATOM 449 CA PRO A 30 86.591 -9.081 2.686 1.00 0.00 C ATOM 450 C PRO A 30 85.354 -8.535 1.974 1.00 0.00 C ATOM 451 O PRO A 30 85.445 -8.007 0.865 1.00 0.00 O ATOM 452 CB PRO A 30 86.906 -8.263 3.945 1.00 0.00 C ATOM 453 CG PRO A 30 87.941 -7.274 3.520 1.00 0.00 C ATOM 454 CD PRO A 30 88.753 -7.947 2.414 1.00 0.00 C ATOM 0 HA PRO A 30 86.355 -10.124 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.014 -7.762 4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.277 -8.901 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.476 -6.357 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.581 -6.997 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 30 89.071 -7.229 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.655 -8.415 2.808 1.00 0.00 H new ATOM 462 N ASN A 31 84.201 -8.664 2.625 1.00 0.00 N ATOM 463 CA ASN A 31 82.948 -8.179 2.058 1.00 0.00 C ATOM 464 C ASN A 31 82.599 -6.821 2.653 1.00 0.00 C ATOM 465 O ASN A 31 83.104 -6.458 3.714 1.00 0.00 O ATOM 466 CB ASN A 31 81.824 -9.176 2.357 1.00 0.00 C ATOM 467 CG ASN A 31 81.405 -9.073 3.820 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.724 -8.124 4.207 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.775 -10.000 4.662 1.00 0.00 N ATOM 0 H ASN A 31 84.109 -9.099 3.543 1.00 0.00 H new ATOM 0 HA ASN A 31 83.063 -8.077 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.969 -8.976 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.159 -10.190 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.499 -9.938 5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.339 -10.786 4.340 1.00 0.00 H new ATOM 476 N LEU A 32 81.734 -6.073 1.973 1.00 0.00 N ATOM 477 CA LEU A 32 81.326 -4.754 2.460 1.00 0.00 C ATOM 478 C LEU A 32 79.843 -4.759 2.822 1.00 0.00 C ATOM 479 O LEU A 32 79.128 -3.791 2.560 1.00 0.00 O ATOM 480 CB LEU A 32 81.579 -3.675 1.397 1.00 0.00 C ATOM 481 CG LEU A 32 83.013 -3.761 0.850 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.321 -2.494 0.043 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.020 -3.875 2.001 1.00 0.00 C ATOM 0 H LEU A 32 81.304 -6.352 1.091 1.00 0.00 H new ATOM 0 HA LEU A 32 81.920 -4.527 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.867 -3.792 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.410 -2.688 1.829 1.00 0.00 H new ATOM 0 HG LEU A 32 83.095 -4.644 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.337 -2.549 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.618 -2.410 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.227 -1.620 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.030 -3.935 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.938 -2.999 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.808 -4.773 2.582 1.00 0.00 H new ATOM 495 N HIS A 33 79.387 -5.851 3.427 1.00 0.00 N ATOM 496 CA HIS A 33 77.985 -5.967 3.822 1.00 0.00 C ATOM 497 C HIS A 33 77.659 -4.959 4.920 1.00 0.00 C ATOM 498 O HIS A 33 78.490 -4.687 5.786 1.00 0.00 O ATOM 499 CB HIS A 33 77.701 -7.383 4.327 1.00 0.00 C ATOM 500 CG HIS A 33 78.076 -8.384 3.267 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.409 -9.694 3.574 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.169 -8.283 1.900 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.683 -10.325 2.417 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.551 -9.512 1.366 1.00 0.00 N ATOM 0 H HIS A 33 79.961 -6.663 3.654 1.00 0.00 H new ATOM 0 HA HIS A 33 77.360 -5.760 2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.267 -7.575 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.646 -7.485 4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.976 -7.388 1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.974 -11.363 2.347 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.698 -9.741 0.383 1.00 0.00 H new ATOM 513 N GLY A 34 76.446 -4.403 4.878 1.00 0.00 N ATOM 514 CA GLY A 34 76.030 -3.420 5.879 1.00 0.00 C ATOM 515 C GLY A 34 77.212 -2.556 6.299 1.00 0.00 C ATOM 516 O GLY A 34 77.308 -2.120 7.446 1.00 0.00 O ATOM 0 H GLY A 34 75.742 -4.614 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.238 -2.791 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.617 -3.930 6.749 1.00 0.00 H new ATOM 520 N LEU A 35 78.116 -2.329 5.354 1.00 0.00 N ATOM 521 CA LEU A 35 79.310 -1.536 5.607 1.00 0.00 C ATOM 522 C LEU A 35 78.965 -0.217 6.299 1.00 0.00 C ATOM 523 O LEU A 35 79.466 0.081 7.381 1.00 0.00 O ATOM 524 CB LEU A 35 80.006 -1.256 4.267 1.00 0.00 C ATOM 525 CG LEU A 35 81.216 -0.325 4.467 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.482 -1.155 4.692 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.405 0.545 3.220 1.00 0.00 C ATOM 0 H LEU A 35 78.043 -2.685 4.401 1.00 0.00 H new ATOM 0 HA LEU A 35 79.971 -2.094 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.333 -2.194 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.300 -0.799 3.573 1.00 0.00 H new ATOM 0 HG LEU A 35 81.036 0.307 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.333 -0.489 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.357 -1.776 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.659 -1.792 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.262 1.204 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.578 -0.093 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.510 1.145 3.056 1.00 0.00 H new ATOM 539 N PHE A 36 78.120 0.575 5.663 1.00 0.00 N ATOM 540 CA PHE A 36 77.737 1.868 6.221 1.00 0.00 C ATOM 541 C PHE A 36 77.168 1.720 7.632 1.00 0.00 C ATOM 542 O PHE A 36 75.960 1.557 7.805 1.00 0.00 O ATOM 543 CB PHE A 36 76.698 2.547 5.317 1.00 0.00 C ATOM 544 CG PHE A 36 77.173 2.521 3.878 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.032 1.354 3.115 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.759 3.661 3.307 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.476 1.326 1.788 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.202 3.630 1.982 1.00 0.00 C ATOM 549 CZ PHE A 36 78.061 2.464 1.221 1.00 0.00 C ATOM 0 H PHE A 36 77.687 0.352 4.767 1.00 0.00 H new ATOM 0 HA PHE A 36 78.634 2.485 6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.739 2.036 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.540 3.576 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.580 0.475 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.868 4.563 3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.367 0.426 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.654 4.508 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.403 2.442 0.197 1.00 0.00 H new ATOM 559 N GLY A 37 78.038 1.801 8.643 1.00 0.00 N ATOM 560 CA GLY A 37 77.585 1.696 10.032 1.00 0.00 C ATOM 561 C GLY A 37 78.560 0.921 10.922 1.00 0.00 C ATOM 562 O GLY A 37 78.581 1.119 12.136 1.00 0.00 O ATOM 0 H GLY A 37 79.043 1.937 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.447 2.697 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.612 1.205 10.055 1.00 0.00 H new ATOM 566 N ARG A 38 79.347 0.025 10.331 1.00 0.00 N ATOM 567 CA ARG A 38 80.292 -0.777 11.120 1.00 0.00 C ATOM 568 C ARG A 38 81.663 -0.102 11.213 1.00 0.00 C ATOM 569 O ARG A 38 82.108 0.563 10.277 1.00 0.00 O ATOM 570 CB ARG A 38 80.451 -2.168 10.491 1.00 0.00 C ATOM 571 CG ARG A 38 79.617 -3.202 11.257 1.00 0.00 C ATOM 572 CD ARG A 38 79.969 -4.612 10.769 1.00 0.00 C ATOM 573 NE ARG A 38 79.127 -4.977 9.633 1.00 0.00 N ATOM 574 CZ ARG A 38 79.557 -5.805 8.681 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.758 -6.317 8.743 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.773 -6.108 7.684 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.354 -0.165 9.329 1.00 0.00 H new ATOM 0 HA ARG A 38 79.887 -0.869 12.128 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.137 -2.140 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.501 -2.460 10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.809 -3.118 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.555 -3.010 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.019 -4.653 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.832 -5.330 11.578 1.00 0.00 H new ATOM 0 HE ARG A 38 78.186 -4.589 9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.372 -6.084 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.081 -6.950 8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.834 -5.712 7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.098 -6.741 6.954 1.00 0.00 H new ATOM 590 N LYS A 39 82.330 -0.295 12.354 1.00 0.00 N ATOM 591 CA LYS A 39 83.654 0.285 12.577 1.00 0.00 C ATOM 592 C LYS A 39 84.678 -0.323 11.620 1.00 0.00 C ATOM 593 O LYS A 39 84.389 -1.295 10.924 1.00 0.00 O ATOM 594 CB LYS A 39 84.093 0.043 14.026 1.00 0.00 C ATOM 595 CG LYS A 39 83.483 1.113 14.945 1.00 0.00 C ATOM 596 CD LYS A 39 84.385 2.353 14.977 1.00 0.00 C ATOM 597 CE LYS A 39 83.840 3.355 15.997 1.00 0.00 C ATOM 598 NZ LYS A 39 82.351 3.322 15.982 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.975 -0.847 13.135 1.00 0.00 H new ATOM 0 HA LYS A 39 83.596 1.357 12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.778 -0.949 14.350 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.181 0.070 14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.489 1.385 14.590 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.364 0.714 15.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.404 2.068 15.240 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.427 2.811 13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.209 3.112 16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.194 4.359 15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 81.981 4.104 16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.011 3.422 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.020 2.417 16.372 1.00 0.00 H new ATOM 612 N THR A 40 85.876 0.264 11.587 1.00 0.00 N ATOM 613 CA THR A 40 86.934 -0.220 10.705 1.00 0.00 C ATOM 614 C THR A 40 87.460 -1.581 11.153 1.00 0.00 C ATOM 615 O THR A 40 87.553 -1.864 12.348 1.00 0.00 O ATOM 616 CB THR A 40 88.086 0.790 10.670 1.00 0.00 C ATOM 617 OG1 THR A 40 88.429 1.166 11.995 1.00 0.00 O ATOM 618 CG2 THR A 40 87.654 2.028 9.884 1.00 0.00 C ATOM 0 H THR A 40 86.134 1.069 12.157 1.00 0.00 H new ATOM 0 HA THR A 40 86.510 -0.333 9.707 1.00 0.00 H new ATOM 0 HB THR A 40 88.951 0.336 10.187 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.049 0.507 12.372 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.473 2.747 9.859 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.393 1.740 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.788 2.481 10.366 1.00 0.00 H new ATOM 626 N GLY A 41 87.812 -2.417 10.176 1.00 0.00 N ATOM 627 CA GLY A 41 88.342 -3.746 10.464 1.00 0.00 C ATOM 628 C GLY A 41 87.457 -4.499 11.449 1.00 0.00 C ATOM 629 O GLY A 41 87.939 -5.014 12.458 1.00 0.00 O ATOM 0 H GLY A 41 87.739 -2.197 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.423 -4.315 9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.349 -3.657 10.872 1.00 0.00 H new ATOM 633 N GLN A 42 86.160 -4.556 11.159 1.00 0.00 N ATOM 634 CA GLN A 42 85.218 -5.248 12.041 1.00 0.00 C ATOM 635 C GLN A 42 84.625 -6.481 11.362 1.00 0.00 C ATOM 636 O GLN A 42 84.104 -7.372 12.032 1.00 0.00 O ATOM 637 CB GLN A 42 84.087 -4.299 12.444 1.00 0.00 C ATOM 638 CG GLN A 42 83.325 -4.892 13.631 1.00 0.00 C ATOM 639 CD GLN A 42 82.207 -3.949 14.061 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.525 -4.204 15.053 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.978 -2.866 13.371 1.00 0.00 N ATOM 0 H GLN A 42 85.738 -4.137 10.330 1.00 0.00 H new ATOM 0 HA GLN A 42 85.765 -5.571 12.927 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.493 -3.323 12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.410 -4.145 11.604 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.908 -5.861 13.358 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.008 -5.062 14.463 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.544 -2.656 12.549 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.233 -2.229 13.654 1.00 0.00 H new ATOM 701 N THR A 47 91.994 -10.957 7.262 1.00 0.00 N ATOM 702 CA THR A 47 92.898 -10.555 8.332 1.00 0.00 C ATOM 703 C THR A 47 93.136 -9.049 8.292 1.00 0.00 C ATOM 704 O THR A 47 94.121 -8.580 7.721 1.00 0.00 O ATOM 705 CB THR A 47 94.234 -11.288 8.191 1.00 0.00 C ATOM 706 OG1 THR A 47 94.006 -12.691 8.219 1.00 0.00 O ATOM 707 CG2 THR A 47 95.159 -10.896 9.343 1.00 0.00 C ATOM 0 HA THR A 47 92.440 -10.815 9.286 1.00 0.00 H new ATOM 0 HB THR A 47 94.702 -11.013 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.164 -12.895 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.110 -11.419 9.240 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.333 -9.820 9.320 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.695 -11.169 10.291 1.00 0.00 H new ATOM 715 N TYR A 48 92.224 -8.298 8.899 1.00 0.00 N ATOM 716 CA TYR A 48 92.338 -6.844 8.925 1.00 0.00 C ATOM 717 C TYR A 48 93.641 -6.417 9.590 1.00 0.00 C ATOM 718 O TYR A 48 94.143 -7.090 10.490 1.00 0.00 O ATOM 719 CB TYR A 48 91.151 -6.242 9.683 1.00 0.00 C ATOM 720 CG TYR A 48 89.982 -6.086 8.744 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.055 -5.163 7.697 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.826 -6.855 8.923 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.975 -5.006 6.827 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.744 -6.696 8.052 1.00 0.00 C ATOM 725 CZ TYR A 48 87.818 -5.772 7.004 1.00 0.00 C ATOM 726 OH TYR A 48 86.749 -5.613 6.147 1.00 0.00 O ATOM 0 H TYR A 48 91.403 -8.668 9.377 1.00 0.00 H new ATOM 0 HA TYR A 48 92.336 -6.480 7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.876 -6.885 10.519 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.426 -5.274 10.102 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.948 -4.571 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.770 -7.569 9.731 1.00 0.00 H new ATOM 0 HE1 TYR A 48 89.033 -4.293 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.850 -7.287 8.188 1.00 0.00 H new ATOM 0 HH TYR A 48 86.027 -6.221 6.409 1.00 0.00 H new ATOM 736 N THR A 49 94.179 -5.291 9.140 1.00 0.00 N ATOM 737 CA THR A 49 95.424 -4.773 9.697 1.00 0.00 C ATOM 738 C THR A 49 95.158 -4.036 11.005 1.00 0.00 C ATOM 739 O THR A 49 94.065 -3.513 11.220 1.00 0.00 O ATOM 740 CB THR A 49 96.085 -3.822 8.695 1.00 0.00 C ATOM 741 OG1 THR A 49 95.227 -2.714 8.463 1.00 0.00 O ATOM 742 CG2 THR A 49 96.344 -4.554 7.374 1.00 0.00 C ATOM 0 H THR A 49 93.777 -4.721 8.396 1.00 0.00 H new ATOM 0 HA THR A 49 96.091 -5.612 9.896 1.00 0.00 H new ATOM 0 HB THR A 49 97.034 -3.473 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.760 -1.893 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.814 -3.872 6.666 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.003 -5.403 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.399 -4.908 6.963 1.00 0.00 H new ATOM 750 N ASP A 50 96.160 -3.998 11.877 1.00 0.00 N ATOM 751 CA ASP A 50 96.017 -3.323 13.161 1.00 0.00 C ATOM 752 C ASP A 50 95.406 -1.937 12.973 1.00 0.00 C ATOM 753 O ASP A 50 94.566 -1.506 13.763 1.00 0.00 O ATOM 754 CB ASP A 50 97.382 -3.200 13.844 1.00 0.00 C ATOM 755 CG ASP A 50 98.223 -4.437 13.551 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.140 -5.381 14.320 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.940 -4.422 12.564 1.00 0.00 O1- ATOM 0 H ASP A 50 97.074 -4.423 11.720 1.00 0.00 H new ATOM 0 HA ASP A 50 95.353 -3.915 13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.897 -2.307 13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.251 -3.085 14.920 1.00 0.00 H new ATOM 762 N ALA A 51 95.834 -1.243 11.923 1.00 0.00 N ATOM 763 CA ALA A 51 95.321 0.093 11.641 1.00 0.00 C ATOM 764 C ALA A 51 93.811 0.058 11.437 1.00 0.00 C ATOM 765 O ALA A 51 93.095 0.954 11.878 1.00 0.00 O ATOM 766 CB ALA A 51 95.991 0.656 10.387 1.00 0.00 C ATOM 0 H ALA A 51 96.530 -1.580 11.258 1.00 0.00 H new ATOM 0 HA ALA A 51 95.546 0.733 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.602 1.654 10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.068 0.711 10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.781 0.005 9.539 1.00 0.00 H new ATOM 772 N ASN A 52 93.333 -0.984 10.766 1.00 0.00 N ATOM 773 CA ASN A 52 91.904 -1.128 10.509 1.00 0.00 C ATOM 774 C ASN A 52 91.201 -1.706 11.736 1.00 0.00 C ATOM 775 O ASN A 52 90.010 -1.476 11.952 1.00 0.00 O ATOM 776 CB ASN A 52 91.689 -2.050 9.296 1.00 0.00 C ATOM 777 CG ASN A 52 91.234 -1.244 8.082 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.522 -0.052 7.980 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.537 -1.831 7.148 1.00 0.00 N ATOM 0 H ASN A 52 93.910 -1.738 10.392 1.00 0.00 H new ATOM 0 HA ASN A 52 91.480 -0.147 10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.615 -2.576 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.943 -2.808 9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.230 -1.302 6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.299 -2.819 7.234 1.00 0.00 H new ATOM 786 N LYS A 53 91.952 -2.447 12.542 1.00 0.00 N ATOM 787 CA LYS A 53 91.407 -3.050 13.748 1.00 0.00 C ATOM 788 C LYS A 53 91.480 -2.046 14.891 1.00 0.00 C ATOM 789 O LYS A 53 90.888 -2.245 15.952 1.00 0.00 O ATOM 790 CB LYS A 53 92.200 -4.326 14.080 1.00 0.00 C ATOM 791 CG LYS A 53 92.348 -4.496 15.598 1.00 0.00 C ATOM 792 CD LYS A 53 93.045 -5.826 15.900 1.00 0.00 C ATOM 793 CE LYS A 53 92.758 -6.240 17.345 1.00 0.00 C ATOM 794 NZ LYS A 53 92.863 -5.048 18.234 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.940 -2.644 12.381 1.00 0.00 H new ATOM 0 HA LYS A 53 90.363 -3.322 13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.693 -5.195 13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.186 -4.278 13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.925 -3.669 16.012 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.368 -4.471 16.074 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.693 -6.596 15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.120 -5.728 15.746 1.00 0.00 H new ATOM 0 HE2 LYS A 53 91.761 -6.675 17.419 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.465 -7.007 17.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.990 -5.359 19.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.678 -4.470 17.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 91.994 -4.482 18.160 1.00 0.00 H new ATOM 808 N ASN A 54 92.210 -0.964 14.658 1.00 0.00 N ATOM 809 CA ASN A 54 92.358 0.074 15.664 1.00 0.00 C ATOM 810 C ASN A 54 91.016 0.733 15.937 1.00 0.00 C ATOM 811 O ASN A 54 90.821 1.380 16.967 1.00 0.00 O ATOM 812 CB ASN A 54 93.357 1.122 15.173 1.00 0.00 C ATOM 813 CG ASN A 54 92.653 2.191 14.339 1.00 0.00 C ATOM 814 OD1 ASN A 54 92.980 3.374 14.442 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.703 1.846 13.515 1.00 0.00 N ATOM 0 H ASN A 54 92.706 -0.784 13.785 1.00 0.00 H new ATOM 0 HA ASN A 54 92.725 -0.374 16.587 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.852 1.587 16.025 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.133 0.641 14.577 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.230 2.556 12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.433 0.866 13.430 1.00 0.00 H new ATOM 822 N LYS A 55 90.096 0.559 15.002 1.00 0.00 N ATOM 823 CA LYS A 55 88.764 1.137 15.137 1.00 0.00 C ATOM 824 C LYS A 55 88.860 2.638 15.380 1.00 0.00 C ATOM 825 O LYS A 55 88.475 3.131 16.440 1.00 0.00 O ATOM 826 CB LYS A 55 88.023 0.479 16.302 1.00 0.00 C ATOM 827 CG LYS A 55 87.766 -0.994 15.980 1.00 0.00 C ATOM 828 CD LYS A 55 87.249 -1.708 17.230 1.00 0.00 C ATOM 829 CE LYS A 55 87.163 -3.211 16.962 1.00 0.00 C ATOM 830 NZ LYS A 55 86.880 -3.928 18.237 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.243 0.026 14.145 1.00 0.00 H new ATOM 0 HA LYS A 55 88.215 0.960 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.612 0.565 17.215 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.079 0.993 16.482 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.038 -1.079 15.173 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.685 -1.467 15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.914 -1.516 18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.268 -1.320 17.503 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.378 -3.417 16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.098 -3.568 16.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.821 -4.950 18.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 87.644 -3.741 18.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.977 -3.594 18.630 1.00 0.00 H new ATOM 844 N GLY A 56 89.383 3.360 14.395 1.00 0.00 N ATOM 845 CA GLY A 56 89.529 4.807 14.519 1.00 0.00 C ATOM 846 C GLY A 56 88.244 5.526 14.134 1.00 0.00 C ATOM 847 O GLY A 56 87.829 6.475 14.799 1.00 0.00 O ATOM 0 H GLY A 56 89.710 2.973 13.510 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.798 5.061 15.544 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.345 5.149 13.882 1.00 0.00 H new ATOM 851 N ILE A 57 87.613 5.067 13.057 1.00 0.00 N ATOM 852 CA ILE A 57 86.370 5.676 12.593 1.00 0.00 C ATOM 853 C ILE A 57 85.402 4.602 12.114 1.00 0.00 C ATOM 854 O ILE A 57 85.721 3.412 12.138 1.00 0.00 O ATOM 855 CB ILE A 57 86.661 6.664 11.461 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.147 5.904 10.214 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.748 7.642 11.913 1.00 0.00 C ATOM 858 CD1 ILE A 57 85.952 5.391 9.396 1.00 0.00 C ATOM 0 H ILE A 57 87.938 4.282 12.493 1.00 0.00 H new ATOM 0 HA ILE A 57 85.912 6.214 13.423 1.00 0.00 H new ATOM 0 HB ILE A 57 85.750 7.210 11.216 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.762 6.560 9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.776 5.066 10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.959 8.348 11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.405 8.186 12.793 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.655 7.090 12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.315 4.856 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.353 4.718 10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.339 6.235 9.079 1.00 0.00 H new ATOM 870 N THR A 58 84.217 5.026 11.686 1.00 0.00 N ATOM 871 CA THR A 58 83.202 4.088 11.211 1.00 0.00 C ATOM 872 C THR A 58 82.861 4.346 9.749 1.00 0.00 C ATOM 873 O THR A 58 82.777 5.494 9.313 1.00 0.00 O ATOM 874 CB THR A 58 81.938 4.215 12.068 1.00 0.00 C ATOM 875 OG1 THR A 58 82.204 3.722 13.374 1.00 0.00 O ATOM 876 CG2 THR A 58 80.800 3.404 11.442 1.00 0.00 C ATOM 0 H THR A 58 83.936 6.006 11.658 1.00 0.00 H new ATOM 0 HA THR A 58 83.602 3.078 11.296 1.00 0.00 H new ATOM 0 HB THR A 58 81.644 5.263 12.122 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.718 2.882 13.512 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.905 3.499 12.057 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.594 3.780 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.090 2.355 11.383 1.00 0.00 H new ATOM 884 N TRP A 59 82.659 3.265 8.997 1.00 0.00 N ATOM 885 CA TRP A 59 82.319 3.391 7.588 1.00 0.00 C ATOM 886 C TRP A 59 80.989 4.116 7.435 1.00 0.00 C ATOM 887 O TRP A 59 80.034 3.848 8.166 1.00 0.00 O ATOM 888 CB TRP A 59 82.213 2.012 6.931 1.00 0.00 C ATOM 889 CG TRP A 59 83.345 1.134 7.367 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.636 1.518 7.461 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.307 -0.271 7.759 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.394 0.438 7.883 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.616 -0.685 8.086 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.273 -1.216 7.862 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.888 -1.991 8.505 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.543 -2.529 8.278 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.847 -2.915 8.601 1.00 0.00 C ATOM 0 H TRP A 59 82.725 2.306 9.338 1.00 0.00 H new ATOM 0 HA TRP A 59 83.109 3.961 7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.263 1.549 7.196 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.224 2.118 5.846 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.016 2.505 7.243 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.403 0.468 8.026 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.260 -0.930 7.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.898 -2.283 8.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.738 -3.246 8.349 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.048 -3.926 8.924 1.00 0.00 H new ATOM 908 N LYS A 60 80.936 5.036 6.483 1.00 0.00 N ATOM 909 CA LYS A 60 79.725 5.804 6.231 1.00 0.00 C ATOM 910 C LYS A 60 79.723 6.294 4.789 1.00 0.00 C ATOM 911 O LYS A 60 80.438 5.754 3.947 1.00 0.00 O ATOM 912 CB LYS A 60 79.651 6.998 7.189 1.00 0.00 C ATOM 913 CG LYS A 60 79.482 6.495 8.627 1.00 0.00 C ATOM 914 CD LYS A 60 79.083 7.658 9.540 1.00 0.00 C ATOM 915 CE LYS A 60 80.309 8.525 9.835 1.00 0.00 C ATOM 916 NZ LYS A 60 79.953 9.563 10.843 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.718 5.269 5.872 1.00 0.00 H new ATOM 0 HA LYS A 60 78.856 5.167 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.557 7.599 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.815 7.643 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.721 5.715 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.412 6.048 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.307 8.258 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.664 7.275 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.125 7.905 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.662 8.999 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.786 10.152 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.188 10.161 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.636 9.102 11.720 1.00 0.00 H new ATOM 930 N GLU A 61 78.920 7.311 4.501 1.00 0.00 N ATOM 931 CA GLU A 61 78.853 7.844 3.147 1.00 0.00 C ATOM 932 C GLU A 61 80.078 8.706 2.844 1.00 0.00 C ATOM 933 O GLU A 61 80.826 8.432 1.905 1.00 0.00 O ATOM 934 CB GLU A 61 77.582 8.681 2.981 1.00 0.00 C ATOM 935 CG GLU A 61 77.273 8.863 1.493 1.00 0.00 C ATOM 936 CD GLU A 61 76.588 7.618 0.942 1.00 0.00 C ATOM 937 OE1 GLU A 61 76.710 6.574 1.562 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.950 7.726 -0.092 1.00 0.00 O1- ATOM 0 H GLU A 61 78.314 7.777 5.176 1.00 0.00 H new ATOM 0 HA GLU A 61 78.834 7.008 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.745 8.191 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.711 9.653 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 61 76.632 9.733 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 61 78.195 9.053 0.943 1.00 0.00 H new ATOM 945 N GLU A 62 80.278 9.747 3.646 1.00 0.00 N ATOM 946 CA GLU A 62 81.414 10.642 3.449 1.00 0.00 C ATOM 947 C GLU A 62 82.724 9.941 3.786 1.00 0.00 C ATOM 948 O GLU A 62 83.709 10.063 3.058 1.00 0.00 O ATOM 949 CB GLU A 62 81.257 11.885 4.326 1.00 0.00 C ATOM 950 CG GLU A 62 80.044 12.690 3.857 1.00 0.00 C ATOM 951 CD GLU A 62 80.338 13.336 2.507 1.00 0.00 C ATOM 952 OE1 GLU A 62 81.490 13.326 2.106 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.406 13.829 1.893 1.00 0.00 O1- ATOM 0 H GLU A 62 79.675 9.991 4.432 1.00 0.00 H new ATOM 0 HA GLU A 62 81.438 10.936 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.132 11.594 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.157 12.498 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.174 12.039 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.800 13.458 4.592 1.00 0.00 H new ATOM 960 N THR A 63 82.734 9.203 4.889 1.00 0.00 N ATOM 961 CA THR A 63 83.936 8.489 5.297 1.00 0.00 C ATOM 962 C THR A 63 84.449 7.641 4.146 1.00 0.00 C ATOM 963 O THR A 63 85.657 7.508 3.946 1.00 0.00 O ATOM 964 CB THR A 63 83.635 7.588 6.492 1.00 0.00 C ATOM 965 OG1 THR A 63 82.625 6.659 6.136 1.00 0.00 O ATOM 966 CG2 THR A 63 83.158 8.439 7.664 1.00 0.00 C ATOM 0 H THR A 63 81.934 9.084 5.510 1.00 0.00 H new ATOM 0 HA THR A 63 84.695 9.219 5.580 1.00 0.00 H new ATOM 0 HB THR A 63 84.538 7.050 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.025 5.916 5.638 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.943 7.796 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.935 9.153 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.254 8.977 7.379 1.00 0.00 H new ATOM 974 N LEU A 64 83.521 7.072 3.387 1.00 0.00 N ATOM 975 CA LEU A 64 83.892 6.242 2.253 1.00 0.00 C ATOM 976 C LEU A 64 84.482 7.105 1.145 1.00 0.00 C ATOM 977 O LEU A 64 85.385 6.675 0.430 1.00 0.00 O ATOM 978 CB LEU A 64 82.670 5.485 1.721 1.00 0.00 C ATOM 979 CG LEU A 64 82.749 4.007 2.122 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.401 3.326 1.841 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.864 3.314 1.318 1.00 0.00 C ATOM 0 H LEU A 64 82.517 7.170 3.535 1.00 0.00 H new ATOM 0 HA LEU A 64 84.638 5.520 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.757 5.929 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.622 5.573 0.636 1.00 0.00 H new ATOM 0 HG LEU A 64 82.974 3.930 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.458 2.275 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.618 3.817 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.170 3.402 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.919 2.264 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.645 3.389 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.818 3.798 1.527 1.00 0.00 H new ATOM 993 N MET A 65 83.959 8.322 1.001 1.00 0.00 N ATOM 994 CA MET A 65 84.446 9.228 -0.037 1.00 0.00 C ATOM 995 C MET A 65 85.922 9.548 0.166 1.00 0.00 C ATOM 996 O MET A 65 86.743 9.313 -0.720 1.00 0.00 O ATOM 997 CB MET A 65 83.636 10.524 -0.030 1.00 0.00 C ATOM 998 CG MET A 65 82.187 10.210 -0.395 1.00 0.00 C ATOM 999 SD MET A 65 81.151 11.652 -0.045 1.00 0.00 S ATOM 1000 CE MET A 65 80.901 12.171 -1.755 1.00 0.00 C ATOM 0 H MET A 65 83.209 8.699 1.581 1.00 0.00 H new ATOM 0 HA MET A 65 84.326 8.731 -1.000 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.683 10.991 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.057 11.235 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.116 9.945 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.836 9.349 0.174 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.398 13.138 -1.772 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.866 12.255 -2.255 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.287 11.434 -2.273 1.00 0.00 H new ATOM 1010 N GLU A 66 86.258 10.075 1.338 1.00 0.00 N ATOM 1011 CA GLU A 66 87.646 10.408 1.633 1.00 0.00 C ATOM 1012 C GLU A 66 88.505 9.153 1.543 1.00 0.00 C ATOM 1013 O GLU A 66 89.681 9.212 1.188 1.00 0.00 O ATOM 1014 CB GLU A 66 87.756 11.008 3.036 1.00 0.00 C ATOM 1015 CG GLU A 66 87.146 12.411 3.042 1.00 0.00 C ATOM 1016 CD GLU A 66 88.055 13.378 2.291 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.129 13.662 2.794 1.00 0.00 O ATOM 1018 OE2 GLU A 66 87.663 13.818 1.223 1.00 0.00 O1- ATOM 0 H GLU A 66 85.599 10.278 2.089 1.00 0.00 H new ATOM 0 HA GLU A 66 87.997 11.140 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.240 10.373 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.801 11.053 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.160 12.390 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.007 12.752 4.068 1.00 0.00 H new ATOM 1025 N TYR A 67 87.895 8.019 1.862 1.00 0.00 N ATOM 1026 CA TYR A 67 88.590 6.740 1.812 1.00 0.00 C ATOM 1027 C TYR A 67 88.689 6.247 0.370 1.00 0.00 C ATOM 1028 O TYR A 67 89.604 5.503 0.019 1.00 0.00 O ATOM 1029 CB TYR A 67 87.832 5.720 2.666 1.00 0.00 C ATOM 1030 CG TYR A 67 88.331 4.323 2.381 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.729 3.559 1.373 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.386 3.789 3.130 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.184 2.261 1.113 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.840 2.490 2.869 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.240 1.727 1.861 1.00 0.00 C ATOM 1036 OH TYR A 67 89.688 0.447 1.605 1.00 0.00 O ATOM 0 H TYR A 67 86.921 7.959 2.158 1.00 0.00 H new ATOM 0 HA TYR A 67 89.600 6.863 2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.963 5.952 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.764 5.782 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 67 86.914 3.971 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.849 4.378 3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.721 1.672 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.654 2.077 3.446 1.00 0.00 H new ATOM 0 HH TYR A 67 89.420 0.181 0.700 1.00 0.00 H new ATOM 1046 N LEU A 68 87.733 6.664 -0.455 1.00 0.00 N ATOM 1047 CA LEU A 68 87.704 6.254 -1.857 1.00 0.00 C ATOM 1048 C LEU A 68 88.664 7.099 -2.693 1.00 0.00 C ATOM 1049 O LEU A 68 88.942 6.775 -3.848 1.00 0.00 O ATOM 1050 CB LEU A 68 86.273 6.391 -2.408 1.00 0.00 C ATOM 1051 CG LEU A 68 85.540 5.043 -2.328 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.066 5.240 -2.682 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.157 4.048 -3.313 1.00 0.00 C ATOM 0 H LEU A 68 86.971 7.283 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 68 88.021 5.213 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.727 7.144 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.305 6.734 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 68 85.632 4.654 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.547 4.283 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.614 5.941 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 68 83.985 5.637 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.629 3.096 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.073 4.440 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.208 3.898 -3.068 1.00 0.00 H new ATOM 1065 N GLU A 69 89.168 8.182 -2.108 1.00 0.00 N ATOM 1066 CA GLU A 69 90.097 9.061 -2.817 1.00 0.00 C ATOM 1067 C GLU A 69 91.535 8.766 -2.397 1.00 0.00 C ATOM 1068 O GLU A 69 92.486 9.227 -3.029 1.00 0.00 O ATOM 1069 CB GLU A 69 89.747 10.528 -2.528 1.00 0.00 C ATOM 1070 CG GLU A 69 90.586 11.060 -1.360 1.00 0.00 C ATOM 1071 CD GLU A 69 89.969 12.344 -0.815 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.543 13.159 -1.617 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 89.932 12.493 0.395 1.00 0.00 O ATOM 0 H GLU A 69 88.952 8.471 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 69 90.008 8.879 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.926 11.133 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.687 10.615 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.642 10.310 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.607 11.250 -1.692 1.00 0.00 H new ATOM 1080 N ASN A 70 91.680 7.998 -1.324 1.00 0.00 N ATOM 1081 CA ASN A 70 93.002 7.643 -0.815 1.00 0.00 C ATOM 1082 C ASN A 70 92.875 6.636 0.329 1.00 0.00 C ATOM 1083 O ASN A 70 93.165 6.945 1.484 1.00 0.00 O ATOM 1084 CB ASN A 70 93.726 8.904 -0.327 1.00 0.00 C ATOM 1085 CG ASN A 70 95.237 8.712 -0.417 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.948 9.596 -0.895 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.773 7.605 0.017 1.00 0.00 N ATOM 0 H ASN A 70 90.903 7.610 -0.790 1.00 0.00 H new ATOM 0 HA ASN A 70 93.580 7.187 -1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.424 9.761 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.440 9.121 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.783 7.471 -0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.183 6.873 0.413 1.00 0.00 H new ATOM 1094 N PRO A 71 92.437 5.447 0.015 1.00 0.00 N ATOM 1095 CA PRO A 71 92.243 4.353 1.016 1.00 0.00 C ATOM 1096 C PRO A 71 93.432 4.181 1.961 1.00 0.00 C ATOM 1097 O PRO A 71 93.257 3.886 3.144 1.00 0.00 O ATOM 1098 CB PRO A 71 92.062 3.105 0.147 1.00 0.00 C ATOM 1099 CG PRO A 71 91.511 3.605 -1.148 1.00 0.00 C ATOM 1100 CD PRO A 71 92.073 5.013 -1.344 1.00 0.00 C ATOM 0 HA PRO A 71 91.401 4.562 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.010 2.588 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.382 2.394 0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.803 2.953 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.421 3.622 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.939 5.008 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.334 5.679 -1.790 1.00 0.00 H new ATOM 1108 N LYS A 72 94.638 4.343 1.431 1.00 0.00 N ATOM 1109 CA LYS A 72 95.844 4.175 2.235 1.00 0.00 C ATOM 1110 C LYS A 72 96.033 5.331 3.213 1.00 0.00 C ATOM 1111 O LYS A 72 96.321 5.118 4.391 1.00 0.00 O ATOM 1112 CB LYS A 72 97.067 4.085 1.318 1.00 0.00 C ATOM 1113 CG LYS A 72 98.323 3.771 2.152 1.00 0.00 C ATOM 1114 CD LYS A 72 98.892 2.403 1.754 1.00 0.00 C ATOM 1115 CE LYS A 72 97.971 1.289 2.259 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.732 1.462 3.720 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.808 4.589 0.456 1.00 0.00 H new ATOM 0 HA LYS A 72 95.735 3.255 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.914 3.309 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.201 5.025 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.075 4.545 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.075 3.775 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.991 2.342 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.891 2.279 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.024 1.314 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.422 0.315 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.425 0.557 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.611 1.771 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.993 2.179 3.868 1.00 0.00 H new ATOM 1130 N LYS A 73 95.895 6.552 2.716 1.00 0.00 N ATOM 1131 CA LYS A 73 96.081 7.733 3.551 1.00 0.00 C ATOM 1132 C LYS A 73 95.042 7.803 4.669 1.00 0.00 C ATOM 1133 O LYS A 73 95.336 8.279 5.765 1.00 0.00 O ATOM 1134 CB LYS A 73 95.992 8.996 2.694 1.00 0.00 C ATOM 1135 CG LYS A 73 96.470 10.205 3.504 1.00 0.00 C ATOM 1136 CD LYS A 73 96.031 11.502 2.810 1.00 0.00 C ATOM 1137 CE LYS A 73 94.631 11.898 3.289 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.128 13.034 2.465 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.656 6.752 1.745 1.00 0.00 H new ATOM 0 HA LYS A 73 97.068 7.662 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.602 8.883 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.965 9.151 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.059 10.164 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.555 10.183 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 73 96.740 12.301 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.030 11.364 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 73 93.953 11.048 3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.662 12.183 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 93.177 13.304 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 94.771 13.846 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 94.084 12.746 1.467 1.00 0.00 H new ATOM 1152 N TYR A 74 93.824 7.347 4.389 1.00 0.00 N ATOM 1153 CA TYR A 74 92.765 7.393 5.394 1.00 0.00 C ATOM 1154 C TYR A 74 93.104 6.498 6.584 1.00 0.00 C ATOM 1155 O TYR A 74 93.168 6.965 7.722 1.00 0.00 O ATOM 1156 CB TYR A 74 91.431 6.957 4.771 1.00 0.00 C ATOM 1157 CG TYR A 74 90.299 7.760 5.375 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.254 9.148 5.195 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.297 7.118 6.117 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.210 9.893 5.755 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.254 7.865 6.676 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.210 9.253 6.496 1.00 0.00 C ATOM 1163 OH TYR A 74 87.182 9.988 7.048 1.00 0.00 O ATOM 0 H TYR A 74 93.548 6.948 3.492 1.00 0.00 H new ATOM 0 HA TYR A 74 92.676 8.419 5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.458 7.103 3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.268 5.893 4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.025 9.644 4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.330 6.048 6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.176 10.963 5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.482 7.370 7.247 1.00 0.00 H new ATOM 0 HH TYR A 74 86.573 9.389 7.529 1.00 0.00 H new ATOM 1173 N ILE A 75 93.325 5.215 6.316 1.00 0.00 N ATOM 1174 CA ILE A 75 93.664 4.265 7.372 1.00 0.00 C ATOM 1175 C ILE A 75 94.901 3.460 6.981 1.00 0.00 C ATOM 1176 O ILE A 75 94.807 2.273 6.671 1.00 0.00 O ATOM 1177 CB ILE A 75 92.491 3.310 7.622 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.207 4.120 7.833 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.772 2.471 8.871 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.993 3.199 7.698 1.00 0.00 C ATOM 0 H ILE A 75 93.276 4.810 5.381 1.00 0.00 H new ATOM 0 HA ILE A 75 93.873 4.824 8.284 1.00 0.00 H new ATOM 0 HB ILE A 75 92.370 2.653 6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.216 4.585 8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.148 4.926 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.938 1.792 9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.685 1.894 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.894 3.129 9.731 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.080 3.776 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.982 2.755 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.050 2.409 8.447 1.00 0.00 H new ATOM 1192 N PRO A 76 96.048 4.088 6.984 1.00 0.00 N ATOM 1193 CA PRO A 76 97.331 3.425 6.618 1.00 0.00 C ATOM 1194 C PRO A 76 97.419 2.003 7.161 1.00 0.00 C ATOM 1195 O PRO A 76 96.721 1.647 8.110 1.00 0.00 O ATOM 1196 CB PRO A 76 98.383 4.332 7.252 1.00 0.00 C ATOM 1197 CG PRO A 76 97.773 5.697 7.237 1.00 0.00 C ATOM 1198 CD PRO A 76 96.254 5.502 7.342 1.00 0.00 C ATOM 0 HA PRO A 76 97.452 3.312 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.617 4.015 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.316 4.310 6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.145 6.296 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.033 6.227 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.893 5.715 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.719 6.167 6.664 1.00 0.00 H new ATOM 1206 N GLY A 77 98.274 1.192 6.550 1.00 0.00 N ATOM 1207 CA GLY A 77 98.438 -0.191 6.978 1.00 0.00 C ATOM 1208 C GLY A 77 97.393 -1.084 6.318 1.00 0.00 C ATOM 1209 O GLY A 77 97.626 -2.271 6.096 1.00 0.00 O ATOM 0 H GLY A 77 98.861 1.466 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.438 -0.541 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.347 -0.255 8.062 1.00 0.00 H new ATOM 1213 N THR A 78 96.240 -0.499 6.003 1.00 0.00 N ATOM 1214 CA THR A 78 95.163 -1.247 5.364 1.00 0.00 C ATOM 1215 C THR A 78 95.662 -1.909 4.087 1.00 0.00 C ATOM 1216 O THR A 78 96.357 -1.284 3.285 1.00 0.00 O ATOM 1217 CB THR A 78 94.004 -0.308 5.033 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.903 -1.067 4.550 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.449 0.685 3.964 1.00 0.00 C ATOM 0 H THR A 78 96.029 0.483 6.179 1.00 0.00 H new ATOM 0 HA THR A 78 94.820 -2.019 6.052 1.00 0.00 H new ATOM 0 HB THR A 78 93.704 0.234 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.159 -0.466 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.624 1.357 3.725 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.294 1.265 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.747 0.144 3.066 1.00 0.00 H new ATOM 1227 N LYS A 79 95.311 -3.177 3.899 1.00 0.00 N ATOM 1228 CA LYS A 79 95.743 -3.899 2.706 1.00 0.00 C ATOM 1229 C LYS A 79 94.848 -3.563 1.514 1.00 0.00 C ATOM 1230 O LYS A 79 93.836 -4.221 1.282 1.00 0.00 O ATOM 1231 CB LYS A 79 95.711 -5.408 2.960 1.00 0.00 C ATOM 1232 CG LYS A 79 96.730 -5.772 4.048 1.00 0.00 C ATOM 1233 CD LYS A 79 97.177 -7.223 3.867 1.00 0.00 C ATOM 1234 CE LYS A 79 98.007 -7.657 5.077 1.00 0.00 C ATOM 1235 NZ LYS A 79 98.273 -9.122 4.998 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.738 -3.719 4.545 1.00 0.00 H new ATOM 0 HA LYS A 79 96.763 -3.592 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.711 -5.713 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.939 -5.946 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.591 -5.106 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.287 -5.638 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 79 96.308 -7.871 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.765 -7.322 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.948 -7.107 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 79 97.475 -7.422 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 98.837 -9.417 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.371 -9.639 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 98.797 -9.333 4.125 1.00 0.00 H new ATOM 1249 N MET A 80 95.237 -2.543 0.756 1.00 0.00 N ATOM 1250 CA MET A 80 94.470 -2.132 -0.417 1.00 0.00 C ATOM 1251 C MET A 80 95.178 -0.989 -1.138 1.00 0.00 C ATOM 1252 O MET A 80 95.026 0.177 -0.775 1.00 0.00 O ATOM 1253 CB MET A 80 93.059 -1.689 -0.009 1.00 0.00 C ATOM 1254 CG MET A 80 92.362 -1.029 -1.206 1.00 0.00 C ATOM 1255 SD MET A 80 90.566 -1.060 -0.966 1.00 0.00 S ATOM 1256 CE MET A 80 90.200 0.508 -1.793 1.00 0.00 C ATOM 0 H MET A 80 96.074 -1.987 0.931 1.00 0.00 H new ATOM 0 HA MET A 80 94.392 -2.986 -1.090 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.482 -2.548 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.113 -0.989 0.825 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.705 -0.000 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.624 -1.553 -2.125 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.319 0.389 -2.424 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.009 1.278 -1.045 1.00 0.00 H new ATOM 0 HE3 MET A 80 91.050 0.802 -2.408 1.00 0.00 H new ATOM 1266 N ILE A 81 95.954 -1.334 -2.162 1.00 0.00 N ATOM 1267 CA ILE A 81 96.687 -0.334 -2.935 1.00 0.00 C ATOM 1268 C ILE A 81 96.507 -0.577 -4.430 1.00 0.00 C ATOM 1269 O ILE A 81 97.287 -1.301 -5.050 1.00 0.00 O ATOM 1270 CB ILE A 81 98.177 -0.391 -2.584 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.361 -0.166 -1.074 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.921 0.700 -3.358 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.303 -1.506 -0.329 1.00 0.00 C ATOM 0 H ILE A 81 96.092 -2.295 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 81 96.292 0.651 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 81 98.577 -1.368 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.317 0.322 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.583 0.500 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.982 0.662 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.792 0.539 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.520 1.676 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.434 -1.334 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.336 -1.978 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.097 -2.159 -0.692 1.00 0.00 H new ATOM 1285 N PHE A 82 95.472 0.034 -5.005 1.00 0.00 N ATOM 1286 CA PHE A 82 95.194 -0.118 -6.432 1.00 0.00 C ATOM 1287 C PHE A 82 95.140 1.246 -7.113 1.00 0.00 C ATOM 1288 O PHE A 82 96.045 1.613 -7.861 1.00 0.00 O ATOM 1289 CB PHE A 82 93.859 -0.841 -6.629 1.00 0.00 C ATOM 1290 CG PHE A 82 93.542 -0.919 -8.105 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.352 -1.682 -8.954 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.438 -0.229 -8.624 1.00 0.00 C ATOM 1293 CE1 PHE A 82 94.059 -1.755 -10.322 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.147 -0.303 -9.992 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.958 -1.066 -10.840 1.00 0.00 C ATOM 0 H PHE A 82 94.815 0.636 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 82 95.995 -0.705 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.910 -1.843 -6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.065 -0.311 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.203 -2.214 -8.555 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.812 0.359 -7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.684 -2.344 -10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.297 0.229 -10.393 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.733 -1.123 -11.895 1.00 0.00 H new ATOM 1305 N ALA A 83 94.073 1.992 -6.847 1.00 0.00 N ATOM 1306 CA ALA A 83 93.909 3.314 -7.438 1.00 0.00 C ATOM 1307 C ALA A 83 92.750 4.055 -6.781 1.00 0.00 C ATOM 1308 O ALA A 83 91.650 3.517 -6.652 1.00 0.00 O ATOM 1309 CB ALA A 83 93.648 3.187 -8.940 1.00 0.00 C ATOM 0 H ALA A 83 93.313 1.706 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 83 94.827 3.879 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.527 4.180 -9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.491 2.684 -9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.740 2.606 -9.104 1.00 0.00 H new ATOM 1315 N GLY A 84 93.002 5.293 -6.369 1.00 0.00 N ATOM 1316 CA GLY A 84 91.970 6.099 -5.728 1.00 0.00 C ATOM 1317 C GLY A 84 91.068 6.753 -6.769 1.00 0.00 C ATOM 1318 O GLY A 84 91.325 6.662 -7.970 1.00 0.00 O ATOM 0 H GLY A 84 93.905 5.757 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.373 5.473 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.434 6.867 -5.109 1.00 0.00 H new ATOM 1322 N ILE A 85 90.012 7.411 -6.303 1.00 0.00 N ATOM 1323 CA ILE A 85 89.076 8.079 -7.204 1.00 0.00 C ATOM 1324 C ILE A 85 89.546 9.502 -7.497 1.00 0.00 C ATOM 1325 O ILE A 85 90.368 10.056 -6.766 1.00 0.00 O ATOM 1326 CB ILE A 85 87.685 8.109 -6.569 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.142 6.674 -6.442 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.740 8.946 -7.435 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.402 6.265 -7.722 1.00 0.00 C ATOM 0 H ILE A 85 89.782 7.497 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 85 89.032 7.527 -8.143 1.00 0.00 H new ATOM 0 HB ILE A 85 87.752 8.556 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.964 5.983 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.468 6.608 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.750 8.965 -6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.123 9.963 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.673 8.506 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.025 5.248 -7.615 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.568 6.945 -7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.087 6.311 -8.569 1.00 0.00 H new ATOM 1341 N LYS A 86 89.033 10.088 -8.579 1.00 0.00 N ATOM 1342 CA LYS A 86 89.422 11.444 -8.966 1.00 0.00 C ATOM 1343 C LYS A 86 88.347 12.464 -8.585 1.00 0.00 C ATOM 1344 O LYS A 86 88.547 13.280 -7.686 1.00 0.00 O ATOM 1345 CB LYS A 86 89.678 11.502 -10.481 1.00 0.00 C ATOM 1346 CG LYS A 86 89.925 10.090 -11.018 1.00 0.00 C ATOM 1347 CD LYS A 86 90.450 10.172 -12.455 1.00 0.00 C ATOM 1348 CE LYS A 86 90.239 8.829 -13.156 1.00 0.00 C ATOM 1349 NZ LYS A 86 88.805 8.686 -13.536 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.352 9.649 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 86 90.336 11.698 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.822 11.949 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 86 90.539 12.137 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.645 9.570 -10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 86 89.001 9.512 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 86 89.931 10.962 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.509 10.430 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.869 8.767 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.535 8.013 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 88.710 7.946 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 88.248 8.423 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 88.455 9.589 -13.915 1.00 0.00 H new ATOM 1363 N LYS A 87 87.217 12.425 -9.287 1.00 0.00 N ATOM 1364 CA LYS A 87 86.131 13.367 -9.024 1.00 0.00 C ATOM 1365 C LYS A 87 85.296 12.929 -7.825 1.00 0.00 C ATOM 1366 O LYS A 87 85.317 11.764 -7.429 1.00 0.00 O ATOM 1367 CB LYS A 87 85.228 13.475 -10.257 1.00 0.00 C ATOM 1368 CG LYS A 87 85.989 14.152 -11.405 1.00 0.00 C ATOM 1369 CD LYS A 87 85.857 15.674 -11.293 1.00 0.00 C ATOM 1370 CE LYS A 87 86.475 16.332 -12.528 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.658 15.998 -13.729 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.030 11.758 -10.036 1.00 0.00 H new ATOM 0 HA LYS A 87 86.575 14.337 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.897 12.483 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.333 14.049 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.040 13.866 -11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.595 13.814 -12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.807 15.953 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 87 86.357 16.028 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.519 17.413 -12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 87 87.500 15.986 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.827 16.706 -14.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.926 15.056 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.650 15.998 -13.474 1.00 0.00 H new ATOM 1385 N LYS A 88 84.551 13.873 -7.258 1.00 0.00 N ATOM 1386 CA LYS A 88 83.704 13.571 -6.112 1.00 0.00 C ATOM 1387 C LYS A 88 82.516 12.723 -6.548 1.00 0.00 C ATOM 1388 O LYS A 88 82.184 11.732 -5.903 1.00 0.00 O ATOM 1389 CB LYS A 88 83.200 14.862 -5.465 1.00 0.00 C ATOM 1390 CG LYS A 88 82.627 14.547 -4.080 1.00 0.00 C ATOM 1391 CD LYS A 88 81.786 15.730 -3.587 1.00 0.00 C ATOM 1392 CE LYS A 88 80.505 15.853 -4.425 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.666 16.952 -5.418 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.517 14.843 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 88 84.296 13.017 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.015 15.581 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.435 15.321 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 88 82.014 13.647 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.436 14.346 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.531 15.592 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.365 16.651 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.301 14.913 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.652 16.055 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 80.146 17.792 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.675 17.185 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.289 16.647 -6.338 1.00 0.00 H new ATOM 1407 N THR A 89 81.880 13.116 -7.649 1.00 0.00 N ATOM 1408 CA THR A 89 80.732 12.373 -8.153 1.00 0.00 C ATOM 1409 C THR A 89 81.111 10.922 -8.411 1.00 0.00 C ATOM 1410 O THR A 89 80.263 10.034 -8.364 1.00 0.00 O ATOM 1411 CB THR A 89 80.214 12.998 -9.447 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.280 13.109 -10.380 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.639 14.385 -9.155 1.00 0.00 C ATOM 0 H THR A 89 82.137 13.934 -8.202 1.00 0.00 H new ATOM 0 HA THR A 89 79.947 12.412 -7.398 1.00 0.00 H new ATOM 0 HB THR A 89 79.431 12.366 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.947 13.508 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.270 14.828 -10.080 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.818 14.296 -8.443 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.418 15.020 -8.734 1.00 0.00 H new ATOM 1421 N GLU A 90 82.391 10.683 -8.670 1.00 0.00 N ATOM 1422 CA GLU A 90 82.855 9.325 -8.913 1.00 0.00 C ATOM 1423 C GLU A 90 82.731 8.525 -7.625 1.00 0.00 C ATOM 1424 O GLU A 90 82.323 7.364 -7.635 1.00 0.00 O ATOM 1425 CB GLU A 90 84.311 9.335 -9.390 1.00 0.00 C ATOM 1426 CG GLU A 90 84.367 9.708 -10.874 1.00 0.00 C ATOM 1427 CD GLU A 90 85.789 10.099 -11.260 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.649 10.057 -10.396 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.997 10.435 -12.414 1.00 0.00 O ATOM 0 H GLU A 90 83.115 11.400 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 90 82.245 8.866 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.891 10.048 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.761 8.355 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.035 8.866 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.686 10.535 -11.076 1.00 0.00 H new ATOM 1436 N ARG A 91 83.063 9.172 -6.511 1.00 0.00 N ATOM 1437 CA ARG A 91 82.965 8.533 -5.207 1.00 0.00 C ATOM 1438 C ARG A 91 81.503 8.435 -4.791 1.00 0.00 C ATOM 1439 O ARG A 91 81.030 7.370 -4.407 1.00 0.00 O ATOM 1440 CB ARG A 91 83.730 9.347 -4.160 1.00 0.00 C ATOM 1441 CG ARG A 91 85.146 9.633 -4.657 1.00 0.00 C ATOM 1442 CD ARG A 91 85.936 10.376 -3.572 1.00 0.00 C ATOM 1443 NE ARG A 91 86.714 11.457 -4.168 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.242 12.420 -3.417 1.00 0.00 C ATOM 1445 NH1 ARG A 91 87.077 12.405 -2.123 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.927 13.380 -3.977 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.401 10.134 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 91 83.398 7.535 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.208 10.284 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.769 8.799 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.648 8.699 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.108 10.232 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.252 10.779 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.599 9.682 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 91 86.856 11.475 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.543 11.654 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.482 13.144 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.057 13.391 -4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.333 14.119 -3.403 1.00 0.00 H new ATOM 1460 N GLU A 92 80.791 9.557 -4.874 1.00 0.00 N ATOM 1461 CA GLU A 92 79.381 9.580 -4.504 1.00 0.00 C ATOM 1462 C GLU A 92 78.612 8.528 -5.294 1.00 0.00 C ATOM 1463 O GLU A 92 77.925 7.685 -4.717 1.00 0.00 O ATOM 1464 CB GLU A 92 78.787 10.963 -4.783 1.00 0.00 C ATOM 1465 CG GLU A 92 77.430 11.084 -4.087 1.00 0.00 C ATOM 1466 CD GLU A 92 76.777 12.415 -4.446 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.073 13.396 -3.784 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.989 12.432 -5.378 1.00 0.00 O ATOM 0 H GLU A 92 81.164 10.452 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 92 79.298 9.360 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.462 11.740 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.672 11.111 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.783 10.259 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.558 11.012 -3.007 1.00 0.00 H new ATOM 1475 N ASP A 93 78.741 8.576 -6.617 1.00 0.00 N ATOM 1476 CA ASP A 93 78.061 7.611 -7.471 1.00 0.00 C ATOM 1477 C ASP A 93 78.500 6.197 -7.108 1.00 0.00 C ATOM 1478 O ASP A 93 77.671 5.311 -6.902 1.00 0.00 O ATOM 1479 CB ASP A 93 78.386 7.889 -8.939 1.00 0.00 C ATOM 1480 CG ASP A 93 77.769 9.218 -9.367 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.239 9.904 -8.510 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.837 9.528 -10.545 1.00 0.00 O1- ATOM 0 H ASP A 93 79.304 9.265 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 93 76.986 7.704 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.466 7.917 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 93 78.003 7.082 -9.564 1.00 0.00 H new ATOM 1487 N LEU A 94 79.812 5.997 -7.028 1.00 0.00 N ATOM 1488 CA LEU A 94 80.359 4.691 -6.683 1.00 0.00 C ATOM 1489 C LEU A 94 79.822 4.230 -5.339 1.00 0.00 C ATOM 1490 O LEU A 94 79.595 3.041 -5.120 1.00 0.00 O ATOM 1491 CB LEU A 94 81.885 4.766 -6.606 1.00 0.00 C ATOM 1492 CG LEU A 94 82.453 3.419 -6.153 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.960 2.313 -7.086 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.981 3.476 -6.189 1.00 0.00 C ATOM 0 H LEU A 94 80.512 6.719 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 94 80.062 3.981 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.294 5.033 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.184 5.549 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 94 82.119 3.207 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.366 1.355 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.871 2.273 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.291 2.521 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.389 2.518 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.313 3.688 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.332 4.263 -5.521 1.00 0.00 H new ATOM 1506 N ILE A 95 79.636 5.182 -4.433 1.00 0.00 N ATOM 1507 CA ILE A 95 79.143 4.864 -3.107 1.00 0.00 C ATOM 1508 C ILE A 95 77.646 4.599 -3.150 1.00 0.00 C ATOM 1509 O ILE A 95 77.125 3.797 -2.374 1.00 0.00 O ATOM 1510 CB ILE A 95 79.476 6.007 -2.137 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.947 5.871 -1.697 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.560 5.932 -0.904 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.624 7.244 -1.615 1.00 0.00 C ATOM 0 H ILE A 95 79.819 6.172 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 95 79.633 3.958 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 95 79.322 6.966 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 95 80.996 5.379 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.485 5.238 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.802 6.746 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.520 6.019 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.708 4.978 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.661 7.120 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.595 7.723 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.098 7.866 -0.891 1.00 0.00 H new ATOM 1525 N ALA A 96 76.961 5.254 -4.078 1.00 0.00 N ATOM 1526 CA ALA A 96 75.531 5.051 -4.225 1.00 0.00 C ATOM 1527 C ALA A 96 75.269 3.587 -4.551 1.00 0.00 C ATOM 1528 O ALA A 96 74.300 2.988 -4.076 1.00 0.00 O ATOM 1529 CB ALA A 96 74.987 5.941 -5.342 1.00 0.00 C ATOM 0 H ALA A 96 77.369 5.922 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 96 75.027 5.315 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.914 5.781 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.177 6.987 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.482 5.691 -6.280 1.00 0.00 H new ATOM 1535 N TYR A 97 76.160 3.008 -5.353 1.00 0.00 N ATOM 1536 CA TYR A 97 76.038 1.608 -5.725 1.00 0.00 C ATOM 1537 C TYR A 97 76.430 0.728 -4.545 1.00 0.00 C ATOM 1538 O TYR A 97 75.655 -0.116 -4.108 1.00 0.00 O ATOM 1539 CB TYR A 97 76.938 1.291 -6.923 1.00 0.00 C ATOM 1540 CG TYR A 97 76.991 -0.207 -7.128 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.928 -0.867 -7.757 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.102 -0.936 -6.684 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.975 -2.253 -7.941 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.148 -2.322 -6.870 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.085 -2.981 -7.496 1.00 0.00 C ATOM 1546 OH TYR A 97 77.131 -4.348 -7.678 1.00 0.00 O ATOM 0 H TYR A 97 76.967 3.486 -5.753 1.00 0.00 H new ATOM 0 HA TYR A 97 75.003 1.409 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.555 1.779 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.941 1.682 -6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.072 -0.306 -8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.922 -0.428 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.155 -2.761 -8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.005 -2.884 -6.530 1.00 0.00 H new ATOM 0 HH TYR A 97 78.049 -4.619 -7.888 1.00 0.00 H new ATOM 1556 N LEU A 98 77.640 0.937 -4.028 1.00 0.00 N ATOM 1557 CA LEU A 98 78.117 0.158 -2.895 1.00 0.00 C ATOM 1558 C LEU A 98 77.030 0.059 -1.826 1.00 0.00 C ATOM 1559 O LEU A 98 77.039 -0.853 -1.001 1.00 0.00 O ATOM 1560 CB LEU A 98 79.372 0.815 -2.299 1.00 0.00 C ATOM 1561 CG LEU A 98 80.617 0.391 -3.100 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.713 1.455 -2.991 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.152 -0.925 -2.537 1.00 0.00 C ATOM 0 H LEU A 98 78.300 1.633 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 98 78.366 -0.845 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.269 1.900 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.484 0.524 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 98 80.336 0.272 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.585 1.139 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.343 2.401 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.992 1.584 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 98 82.034 -1.230 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.420 -0.790 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.385 -1.695 -2.619 1.00 0.00 H new ATOM 1575 N LYS A 99 76.093 1.003 -1.845 1.00 0.00 N ATOM 1576 CA LYS A 99 75.005 1.009 -0.870 1.00 0.00 C ATOM 1577 C LYS A 99 73.919 0.012 -1.266 1.00 0.00 C ATOM 1578 O LYS A 99 73.553 -0.864 -0.483 1.00 0.00 O ATOM 1579 CB LYS A 99 74.398 2.415 -0.768 1.00 0.00 C ATOM 1580 CG LYS A 99 75.173 3.252 0.260 1.00 0.00 C ATOM 1581 CD LYS A 99 74.366 4.504 0.618 1.00 0.00 C ATOM 1582 CE LYS A 99 74.305 5.443 -0.589 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.755 6.760 -0.163 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.064 1.768 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 99 75.413 0.718 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.427 2.903 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.350 2.347 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.363 2.661 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.144 3.537 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.358 4.223 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.825 5.014 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.300 5.572 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.679 5.010 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.022 7.064 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.339 6.672 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.519 7.465 -0.142 1.00 0.00 H new ATOM 1597 N LYS A 100 73.402 0.155 -2.481 1.00 0.00 N ATOM 1598 CA LYS A 100 72.350 -0.737 -2.962 1.00 0.00 C ATOM 1599 C LYS A 100 72.905 -2.131 -3.238 1.00 0.00 C ATOM 1600 O LYS A 100 72.157 -3.106 -3.309 1.00 0.00 O ATOM 1601 CB LYS A 100 71.729 -0.172 -4.240 1.00 0.00 C ATOM 1602 CG LYS A 100 70.953 1.105 -3.909 1.00 0.00 C ATOM 1603 CD LYS A 100 70.319 1.663 -5.185 1.00 0.00 C ATOM 1604 CE LYS A 100 69.257 2.700 -4.818 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.096 2.017 -4.181 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.690 0.872 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 100 71.586 -0.812 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.508 0.042 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.063 -0.909 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.181 0.893 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.621 1.845 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.084 2.118 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.869 0.856 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.676 3.440 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.933 3.236 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.234 2.576 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 67.979 1.071 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.264 1.927 -3.159 1.00 0.00 H new ATOM 1619 N ALA A 101 74.221 -2.217 -3.391 1.00 0.00 N ATOM 1620 CA ALA A 101 74.874 -3.494 -3.659 1.00 0.00 C ATOM 1621 C ALA A 101 75.179 -4.221 -2.355 1.00 0.00 C ATOM 1622 O ALA A 101 75.175 -5.451 -2.303 1.00 0.00 O ATOM 1623 CB ALA A 101 76.172 -3.262 -4.436 1.00 0.00 C ATOM 0 H ALA A 101 74.856 -1.421 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 101 74.201 -4.110 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.654 -4.219 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.947 -2.768 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.840 -2.633 -3.848 1.00 0.00 H new ATOM 1629 N THR A 102 75.443 -3.453 -1.303 1.00 0.00 N ATOM 1630 CA THR A 102 75.749 -4.036 0.000 1.00 0.00 C ATOM 1631 C THR A 102 74.472 -4.205 0.809 1.00 0.00 C ATOM 1632 O THR A 102 74.491 -4.726 1.924 1.00 0.00 O ATOM 1633 CB THR A 102 76.722 -3.136 0.763 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.159 -1.838 0.898 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.043 -3.048 -0.001 1.00 0.00 C ATOM 0 H THR A 102 75.452 -2.433 -1.325 1.00 0.00 H new ATOM 0 HA THR A 102 76.209 -5.012 -0.154 1.00 0.00 H new ATOM 0 HB THR A 102 76.906 -3.555 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.254 -1.351 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.736 -2.406 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.473 -4.045 -0.100 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.863 -2.630 -0.992 1.00 0.00 H new ATOM 1643 N ASN A 103 73.364 -3.754 0.234 1.00 0.00 N ATOM 1644 CA ASN A 103 72.070 -3.849 0.896 1.00 0.00 C ATOM 1645 C ASN A 103 71.294 -5.053 0.375 1.00 0.00 C ATOM 1646 O ASN A 103 70.411 -5.576 1.054 1.00 0.00 O ATOM 1647 CB ASN A 103 71.274 -2.569 0.639 1.00 0.00 C ATOM 1648 CG ASN A 103 71.785 -1.449 1.534 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.044 -0.520 1.854 1.00 0.00 O ATOM 1650 ND2 ASN A 103 73.016 -1.482 1.959 1.00 0.00 N ATOM 0 H ASN A 103 73.336 -3.319 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 103 72.227 -3.974 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.364 -2.279 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.215 -2.745 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.369 -0.736 2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.627 -2.254 1.692 1.00 0.00 H new ATOM 1657 N GLU A 104 71.633 -5.487 -0.834 1.00 0.00 N ATOM 1658 CA GLU A 104 70.963 -6.633 -1.441 1.00 0.00 C ATOM 1659 C GLU A 104 71.604 -7.935 -0.973 1.00 0.00 C ATOM 1660 O GLU A 104 70.908 -8.729 -0.361 1.00 0.00 O ATOM 1661 CB GLU A 104 71.046 -6.543 -2.967 1.00 0.00 C ATOM 1662 CG GLU A 104 70.129 -5.422 -3.463 1.00 0.00 C ATOM 1663 CD GLU A 104 68.670 -5.833 -3.302 1.00 0.00 C ATOM 1664 OE1 GLU A 104 68.119 -5.584 -2.242 1.00 0.00 O ATOM 1665 OE2 GLU A 104 68.124 -6.389 -4.240 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 72.782 -8.122 -1.235 1.00 0.00 O ATOM 0 H GLU A 104 72.362 -5.067 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 104 69.917 -6.622 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 104 72.074 -6.350 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.752 -7.492 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.322 -4.508 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.341 -5.204 -4.510 1.00 0.00 H new