USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=29 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 49 THR OG1 : rot 178:sc= 1.8 USER MOD Set 1.2: A 52 ASN : amide:sc= 0.129 K(o=8.5,f=6.9) USER MOD Set 1.3: A 67 TYR OH : rot -119:sc= 1.25 USER MOD Set 1.4: A 78 THR OG1 : rot 6:sc= 2.04 USER MOD Set 1.5: A 105 HEC O2D : rot 130:sc= 3.28 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -174:sc= 1.24 (180deg=0.235) USER MOD Set 2.2: A 74 TYR OH : rot 100:sc= 0.583 USER MOD Set 3.1: A 19 THR OG1 : rot -37:sc= 1.15 USER MOD Set 3.2: A 25 LYS NZ :NH3+ 179:sc= -0.0307 (180deg=-0.0354) USER MOD Single : A 1 GLY N :NH3+ -145:sc= -0.185 (180deg=-2.46) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -117:sc= 1.04 (180deg=-1.26!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.493 (180deg=0.0813) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -135:sc= -0.0256 (180deg=-0.682) USER MOD Single : A 26 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 31 ASN : amide:sc= 0.539 K(o=0.54,f=-4.6!) USER MOD Single : A 33 HIS : no HE2:sc= 0.893 K(o=0.89,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.0877 (180deg=-0.593) USER MOD Single : A 40 THR OG1 : rot -97:sc= 1.64 USER MOD Single : A 42 GLN : amide:sc= -0.0436 K(o=-0.044,f=-2.7!) USER MOD Single : A 47 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0471 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.42) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0.937 (180deg=0.511) USER MOD Single : A 63 THR OG1 : rot 11:sc= 0.675 USER MOD Single : A 65 MET CE :methyl -168:sc= 0 (180deg=-0.129) USER MOD Single : A 70 ASN : amide:sc= -0.414 K(o=-0.41,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.024) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.179 (180deg=-0.179) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -16:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= -0.794 (180deg=-0.986) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.957) USER MOD Single : A 102 THR OG1 : rot -88:sc= 1.16 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 105 HEC O2A : rot -16:sc= 0.638 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.600 10.002 4.024 1.00 0.00 N ATOM 2 CA GLY A 1 -11.021 10.123 5.360 1.00 0.00 C ATOM 3 C GLY A 1 -10.587 11.576 5.490 1.00 0.00 C ATOM 4 O GLY A 1 -11.291 12.414 4.931 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.392 9.328 4.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.946 10.931 3.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.875 9.660 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.749 9.862 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.173 9.449 5.482 1.00 0.00 H new ATOM 10 N ASP A 2 -9.465 11.862 6.146 1.00 0.00 N ATOM 11 CA ASP A 2 -8.980 13.201 6.461 1.00 0.00 C ATOM 12 C ASP A 2 -7.640 13.514 5.774 1.00 0.00 C ATOM 13 O ASP A 2 -7.149 14.635 5.867 1.00 0.00 O ATOM 14 CB ASP A 2 -8.852 13.289 7.985 1.00 0.00 C ATOM 15 CG ASP A 2 -8.607 14.695 8.509 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.395 15.589 8.136 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.675 14.827 9.333 1.00 0.00 O ATOM 0 H ASP A 2 -8.841 11.131 6.488 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.684 13.944 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.763 12.898 8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.034 12.645 8.308 1.00 0.00 H new ATOM 22 N VAL A 3 -7.033 12.525 5.097 1.00 0.00 N ATOM 23 CA VAL A 3 -5.803 12.557 4.311 1.00 0.00 C ATOM 24 C VAL A 3 -4.586 12.645 5.234 1.00 0.00 C ATOM 25 O VAL A 3 -3.706 11.781 5.216 1.00 0.00 O ATOM 26 CB VAL A 3 -5.858 13.680 3.264 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.540 13.832 2.494 1.00 0.00 C ATOM 28 CG2 VAL A 3 -6.997 13.482 2.259 1.00 0.00 C ATOM 0 H VAL A 3 -7.440 11.590 5.091 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.702 11.626 3.752 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.039 14.591 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.634 14.639 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.736 14.064 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.313 12.901 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.994 14.301 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.858 12.537 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.950 13.467 2.788 1.00 0.00 H new ATOM 38 N GLU A 4 -4.552 13.684 6.064 1.00 0.00 N ATOM 39 CA GLU A 4 -3.541 13.868 7.084 1.00 0.00 C ATOM 40 C GLU A 4 -3.613 12.713 8.069 1.00 0.00 C ATOM 41 O GLU A 4 -2.595 12.077 8.347 1.00 0.00 O ATOM 42 CB GLU A 4 -3.763 15.213 7.779 1.00 0.00 C ATOM 43 CG GLU A 4 -3.308 16.375 6.883 1.00 0.00 C ATOM 44 CD GLU A 4 -1.801 16.341 6.669 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.038 16.531 7.639 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.330 16.022 5.553 1.00 0.00 O ATOM 0 H GLU A 4 -5.244 14.433 6.040 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.546 13.877 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.818 15.330 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.212 15.236 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.817 16.318 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.593 17.323 7.339 1.00 0.00 H new ATOM 53 N LYS A 5 -4.813 12.405 8.572 1.00 0.00 N ATOM 54 CA LYS A 5 -4.964 11.204 9.375 1.00 0.00 C ATOM 55 C LYS A 5 -4.520 9.997 8.560 1.00 0.00 C ATOM 56 O LYS A 5 -3.795 9.185 9.107 1.00 0.00 O ATOM 57 CB LYS A 5 -6.368 11.022 9.952 1.00 0.00 C ATOM 58 CG LYS A 5 -6.675 12.137 10.957 1.00 0.00 C ATOM 59 CD LYS A 5 -8.139 12.063 11.408 1.00 0.00 C ATOM 60 CE LYS A 5 -8.513 13.233 12.328 1.00 0.00 C ATOM 61 NZ LYS A 5 -7.857 13.146 13.648 1.00 0.00 N ATOM 0 H LYS A 5 -5.663 12.954 8.440 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.321 11.309 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.104 11.034 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.445 10.051 10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.017 12.048 11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.476 13.108 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.789 12.067 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.311 11.121 11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.235 14.171 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.594 13.253 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.142 13.958 14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.142 12.264 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.824 13.154 13.524 1.00 0.00 H new ATOM 75 N GLY A 6 -4.862 9.895 7.271 1.00 0.00 N ATOM 76 CA GLY A 6 -4.347 8.821 6.420 1.00 0.00 C ATOM 77 C GLY A 6 -2.841 8.658 6.613 1.00 0.00 C ATOM 78 O GLY A 6 -2.373 7.581 6.980 1.00 0.00 O ATOM 0 H GLY A 6 -5.492 10.542 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.853 7.886 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.563 9.042 5.375 1.00 0.00 H new ATOM 82 N LYS A 7 -2.075 9.735 6.430 1.00 0.00 N ATOM 83 CA LYS A 7 -0.624 9.666 6.539 1.00 0.00 C ATOM 84 C LYS A 7 -0.150 9.342 7.957 1.00 0.00 C ATOM 85 O LYS A 7 0.774 8.553 8.156 1.00 0.00 O ATOM 86 CB LYS A 7 0.032 10.880 5.861 1.00 0.00 C ATOM 87 CG LYS A 7 0.515 11.958 6.819 1.00 0.00 C ATOM 88 CD LYS A 7 0.786 13.258 6.051 1.00 0.00 C ATOM 89 CE LYS A 7 1.382 14.320 6.985 1.00 0.00 C ATOM 90 NZ LYS A 7 1.183 15.687 6.466 1.00 0.00 N ATOM 0 H LYS A 7 -2.438 10.662 6.206 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.267 8.806 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.879 10.534 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.683 11.323 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.234 12.132 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.423 11.628 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.472 13.064 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.141 13.629 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.923 14.236 7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.448 14.133 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.107 16.123 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.628 15.647 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.673 16.256 7.172 1.00 0.00 H new ATOM 104 N LYS A 8 -0.801 9.945 8.949 1.00 0.00 N ATOM 105 CA LYS A 8 -0.386 9.866 10.343 1.00 0.00 C ATOM 106 C LYS A 8 -0.776 8.526 10.973 1.00 0.00 C ATOM 107 O LYS A 8 -0.175 8.102 11.960 1.00 0.00 O ATOM 108 CB LYS A 8 -0.962 11.070 11.106 1.00 0.00 C ATOM 109 CG LYS A 8 -0.066 11.555 12.256 1.00 0.00 C ATOM 110 CD LYS A 8 0.985 12.598 11.825 1.00 0.00 C ATOM 111 CE LYS A 8 2.045 12.039 10.857 1.00 0.00 C ATOM 112 NZ LYS A 8 3.192 12.951 10.651 1.00 0.00 N ATOM 0 H LYS A 8 -1.640 10.507 8.804 1.00 0.00 H new ATOM 0 HA LYS A 8 0.701 9.911 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.118 11.892 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.940 10.802 11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.693 11.985 13.037 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.445 10.697 12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.478 13.438 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.484 12.987 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.412 11.087 11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.576 11.834 9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.867 12.516 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.853 13.851 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.663 13.128 11.561 1.00 0.00 H new ATOM 126 N ILE A 9 -1.777 7.861 10.403 1.00 0.00 N ATOM 127 CA ILE A 9 -2.244 6.547 10.797 1.00 0.00 C ATOM 128 C ILE A 9 -1.388 5.521 10.064 1.00 0.00 C ATOM 129 O ILE A 9 -0.914 4.555 10.661 1.00 0.00 O ATOM 130 CB ILE A 9 -3.725 6.442 10.409 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.631 7.308 11.308 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.222 5.003 10.360 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.895 6.734 12.705 1.00 0.00 C ATOM 0 H ILE A 9 -2.304 8.246 9.619 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.157 6.371 11.869 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.790 6.839 9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.176 8.293 11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.587 7.452 10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.275 4.991 10.080 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.645 4.444 9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.102 4.543 11.341 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.541 7.413 13.261 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.382 5.763 12.613 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.950 6.617 13.235 1.00 0.00 H new ATOM 145 N PHE A 10 -1.196 5.733 8.760 1.00 0.00 N ATOM 146 CA PHE A 10 -0.304 4.933 7.941 1.00 0.00 C ATOM 147 C PHE A 10 1.037 4.795 8.643 1.00 0.00 C ATOM 148 O PHE A 10 1.414 3.698 9.038 1.00 0.00 O ATOM 149 CB PHE A 10 -0.147 5.609 6.565 1.00 0.00 C ATOM 150 CG PHE A 10 1.028 5.148 5.727 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.290 5.737 5.893 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.897 4.058 4.865 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.438 5.154 5.348 1.00 0.00 C ATOM 154 CE2 PHE A 10 2.038 3.486 4.283 1.00 0.00 C ATOM 155 CZ PHE A 10 3.308 4.024 4.529 1.00 0.00 C ATOM 0 H PHE A 10 -1.665 6.477 8.243 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.715 3.934 7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.061 5.443 5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.058 6.684 6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.377 6.657 6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.081 3.656 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.413 5.569 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.937 2.624 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.184 3.570 4.089 1.00 0.00 H new ATOM 165 N VAL A 11 1.743 5.904 8.849 1.00 0.00 N ATOM 166 CA VAL A 11 3.056 5.854 9.454 1.00 0.00 C ATOM 167 C VAL A 11 2.998 5.094 10.790 1.00 0.00 C ATOM 168 O VAL A 11 3.916 4.350 11.123 1.00 0.00 O ATOM 169 CB VAL A 11 3.638 7.279 9.556 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.672 7.389 10.674 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.285 7.760 8.250 1.00 0.00 C ATOM 0 H VAL A 11 1.423 6.841 8.604 1.00 0.00 H new ATOM 0 HA VAL A 11 3.746 5.290 8.827 1.00 0.00 H new ATOM 0 HB VAL A 11 2.782 7.917 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.058 8.408 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.205 7.141 11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.492 6.697 10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.675 8.769 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.100 7.089 7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.540 7.764 7.455 1.00 0.00 H new ATOM 181 N GLN A 12 1.897 5.240 11.533 1.00 0.00 N ATOM 182 CA GLN A 12 1.666 4.512 12.770 1.00 0.00 C ATOM 183 C GLN A 12 1.727 2.988 12.586 1.00 0.00 C ATOM 184 O GLN A 12 2.287 2.315 13.449 1.00 0.00 O ATOM 185 CB GLN A 12 0.325 4.942 13.383 1.00 0.00 C ATOM 186 CG GLN A 12 0.443 5.290 14.869 1.00 0.00 C ATOM 187 CD GLN A 12 -0.901 5.748 15.428 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.418 5.172 16.378 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.489 6.785 14.836 1.00 0.00 N ATOM 0 H GLN A 12 1.138 5.874 11.285 1.00 0.00 H new ATOM 0 HA GLN A 12 2.475 4.765 13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.058 5.806 12.840 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.402 4.139 13.258 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.795 4.420 15.424 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.185 6.077 15.005 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.036 7.246 14.047 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.393 7.119 15.171 1.00 0.00 H new ATOM 198 N LYS A 13 1.124 2.429 11.523 1.00 0.00 N ATOM 199 CA LYS A 13 0.982 0.976 11.397 1.00 0.00 C ATOM 200 C LYS A 13 1.189 0.422 9.980 1.00 0.00 C ATOM 201 O LYS A 13 0.687 -0.651 9.646 1.00 0.00 O ATOM 202 CB LYS A 13 -0.332 0.532 12.049 1.00 0.00 C ATOM 203 CG LYS A 13 -1.583 1.366 11.762 1.00 0.00 C ATOM 204 CD LYS A 13 -2.038 1.289 10.302 1.00 0.00 C ATOM 205 CE LYS A 13 -3.566 1.425 10.296 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.138 1.597 8.951 1.00 0.00 N ATOM 0 H LYS A 13 0.731 2.960 10.746 1.00 0.00 H new ATOM 0 HA LYS A 13 1.811 0.524 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.533 -0.493 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.182 0.512 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.394 1.027 12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.385 2.406 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.579 2.083 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.734 0.343 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.003 0.539 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.849 2.278 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.139 1.867 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.618 2.342 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.062 0.703 8.424 1.00 0.00 H new ATOM 220 N CYS A 14 1.975 1.125 9.171 1.00 0.00 N ATOM 221 CA CYS A 14 2.411 0.708 7.844 1.00 0.00 C ATOM 222 C CYS A 14 3.930 0.918 7.740 1.00 0.00 C ATOM 223 O CYS A 14 4.646 0.035 7.275 1.00 0.00 O ATOM 224 CB CYS A 14 1.704 1.491 6.763 1.00 0.00 C ATOM 225 SG CYS A 14 -0.120 1.544 6.819 1.00 0.00 S ATOM 0 H CYS A 14 2.341 2.040 9.434 1.00 0.00 H new ATOM 0 HA CYS A 14 2.164 -0.344 7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.072 2.517 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.999 1.076 5.799 1.00 0.00 H new ATOM 230 N ALA A 15 4.442 2.076 8.186 1.00 0.00 N ATOM 231 CA ALA A 15 5.846 2.472 8.036 1.00 0.00 C ATOM 232 C ALA A 15 6.859 1.443 8.515 1.00 0.00 C ATOM 233 O ALA A 15 7.948 1.370 7.947 1.00 0.00 O ATOM 234 CB ALA A 15 6.137 3.788 8.739 1.00 0.00 C ATOM 0 H ALA A 15 3.878 2.775 8.670 1.00 0.00 H new ATOM 0 HA ALA A 15 5.969 2.571 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.187 4.048 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.512 4.573 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.921 3.688 9.803 1.00 0.00 H new ATOM 240 N GLN A 16 6.526 0.672 9.553 1.00 0.00 N ATOM 241 CA GLN A 16 7.377 -0.417 10.022 1.00 0.00 C ATOM 242 C GLN A 16 7.825 -1.288 8.841 1.00 0.00 C ATOM 243 O GLN A 16 8.987 -1.687 8.767 1.00 0.00 O ATOM 244 CB GLN A 16 6.644 -1.261 11.081 1.00 0.00 C ATOM 245 CG GLN A 16 7.490 -1.392 12.353 1.00 0.00 C ATOM 246 CD GLN A 16 6.907 -2.424 13.311 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.185 -2.084 14.240 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.221 -3.698 13.097 1.00 0.00 N ATOM 0 H GLN A 16 5.664 0.786 10.087 1.00 0.00 H new ATOM 0 HA GLN A 16 8.264 0.011 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.686 -0.799 11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.428 -2.251 10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.508 -1.677 12.086 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.550 -0.425 12.852 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.825 -3.950 12.315 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.858 -4.424 13.715 1.00 0.00 H new ATOM 257 N CYS A 17 6.886 -1.561 7.931 1.00 0.00 N ATOM 258 CA CYS A 17 7.088 -2.344 6.727 1.00 0.00 C ATOM 259 C CYS A 17 7.280 -1.442 5.492 1.00 0.00 C ATOM 260 O CYS A 17 7.787 -1.914 4.481 1.00 0.00 O ATOM 261 CB CYS A 17 5.921 -3.288 6.549 1.00 0.00 C ATOM 262 SG CYS A 17 5.694 -4.442 7.947 1.00 0.00 S ATOM 0 H CYS A 17 5.928 -1.225 8.025 1.00 0.00 H new ATOM 0 HA CYS A 17 8.004 -2.926 6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.009 -2.705 6.418 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.066 -3.863 5.634 1.00 0.00 H new ATOM 267 N HIS A 18 6.874 -0.164 5.533 1.00 0.00 N ATOM 268 CA HIS A 18 6.844 0.702 4.354 1.00 0.00 C ATOM 269 C HIS A 18 7.254 2.135 4.684 1.00 0.00 C ATOM 270 O HIS A 18 6.392 3.008 4.739 1.00 0.00 O ATOM 271 CB HIS A 18 5.407 0.731 3.820 1.00 0.00 C ATOM 272 CG HIS A 18 4.913 -0.586 3.312 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.257 -1.142 2.106 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.833 -1.268 3.802 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.392 -2.131 1.868 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.526 -2.276 2.874 1.00 0.00 N ATOM 0 H HIS A 18 6.558 0.295 6.387 1.00 0.00 H new ATOM 0 HA HIS A 18 7.548 0.305 3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.743 1.073 4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.345 1.464 3.016 1.00 0.00 H new ATOM 0 HD1 HIS A 18 6.029 -0.854 1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.314 -1.069 4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.393 -2.737 0.974 1.00 0.00 H new ATOM 284 N THR A 19 8.534 2.444 4.890 1.00 0.00 N ATOM 285 CA THR A 19 8.900 3.767 5.395 1.00 0.00 C ATOM 286 C THR A 19 8.970 4.835 4.278 1.00 0.00 C ATOM 287 O THR A 19 9.972 5.541 4.142 1.00 0.00 O ATOM 288 CB THR A 19 10.207 3.638 6.184 1.00 0.00 C ATOM 289 OG1 THR A 19 10.285 2.414 6.901 1.00 0.00 O ATOM 290 CG2 THR A 19 10.404 4.789 7.174 1.00 0.00 C ATOM 0 H THR A 19 9.318 1.814 4.720 1.00 0.00 H new ATOM 0 HA THR A 19 8.117 4.127 6.062 1.00 0.00 H new ATOM 0 HB THR A 19 10.997 3.668 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.397 2.178 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.344 4.652 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.429 5.735 6.632 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.580 4.801 7.887 1.00 0.00 H new ATOM 298 N VAL A 20 7.891 4.989 3.500 1.00 0.00 N ATOM 299 CA VAL A 20 7.754 5.922 2.394 1.00 0.00 C ATOM 300 C VAL A 20 7.601 7.361 2.917 1.00 0.00 C ATOM 301 O VAL A 20 6.541 7.965 2.797 1.00 0.00 O ATOM 302 CB VAL A 20 6.593 5.450 1.498 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.213 5.565 2.157 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.596 6.184 0.155 1.00 0.00 C ATOM 0 H VAL A 20 7.048 4.431 3.640 1.00 0.00 H new ATOM 0 HA VAL A 20 8.653 5.938 1.778 1.00 0.00 H new ATOM 0 HB VAL A 20 6.771 4.387 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.448 5.214 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.190 4.957 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.018 6.606 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.765 5.829 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.490 7.255 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.535 5.991 -0.363 1.00 0.00 H new ATOM 314 N GLU A 21 8.653 7.916 3.523 1.00 0.00 N ATOM 315 CA GLU A 21 8.632 9.294 4.013 1.00 0.00 C ATOM 316 C GLU A 21 10.043 9.874 3.909 1.00 0.00 C ATOM 317 O GLU A 21 10.264 10.888 3.250 1.00 0.00 O ATOM 318 CB GLU A 21 8.051 9.357 5.444 1.00 0.00 C ATOM 319 CG GLU A 21 7.056 10.522 5.624 1.00 0.00 C ATOM 320 CD GLU A 21 6.514 10.641 7.052 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.161 10.075 7.959 1.00 0.00 O ATOM 322 OE2 GLU A 21 5.466 11.308 7.232 1.00 0.00 O ATOM 0 H GLU A 21 9.534 7.428 3.686 1.00 0.00 H new ATOM 0 HA GLU A 21 7.973 9.907 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.550 8.416 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.866 9.465 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.547 11.456 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.221 10.387 4.936 1.00 0.00 H new ATOM 329 N LYS A 22 11.015 9.197 4.527 1.00 0.00 N ATOM 330 CA LYS A 22 12.421 9.476 4.270 1.00 0.00 C ATOM 331 C LYS A 22 12.842 8.836 2.939 1.00 0.00 C ATOM 332 O LYS A 22 12.025 8.199 2.279 1.00 0.00 O ATOM 333 CB LYS A 22 13.286 9.018 5.459 1.00 0.00 C ATOM 334 CG LYS A 22 13.289 7.498 5.673 1.00 0.00 C ATOM 335 CD LYS A 22 14.144 7.054 6.872 1.00 0.00 C ATOM 336 CE LYS A 22 15.626 7.457 6.764 1.00 0.00 C ATOM 337 NZ LYS A 22 15.908 8.781 7.362 1.00 0.00 N ATOM 0 H LYS A 22 10.849 8.454 5.206 1.00 0.00 H new ATOM 0 HA LYS A 22 12.575 10.551 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.311 9.356 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.926 9.503 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.264 7.157 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.660 7.012 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.726 7.483 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.078 5.971 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.239 6.703 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.919 7.468 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.516 9.329 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.014 9.291 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.392 8.654 8.274 1.00 0.00 H new ATOM 351 N GLY A 23 14.130 8.969 2.590 1.00 0.00 N ATOM 352 CA GLY A 23 14.751 8.439 1.376 1.00 0.00 C ATOM 353 C GLY A 23 14.166 7.100 0.920 1.00 0.00 C ATOM 354 O GLY A 23 13.781 6.947 -0.236 1.00 0.00 O ATOM 0 H GLY A 23 14.795 9.473 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.638 9.167 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.820 8.318 1.548 1.00 0.00 H new ATOM 358 N GLY A 24 14.089 6.136 1.841 1.00 0.00 N ATOM 359 CA GLY A 24 13.354 4.905 1.635 1.00 0.00 C ATOM 360 C GLY A 24 13.754 3.887 2.695 1.00 0.00 C ATOM 361 O GLY A 24 14.868 3.951 3.217 1.00 0.00 O ATOM 0 H GLY A 24 14.541 6.197 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.282 5.097 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.559 4.509 0.640 1.00 0.00 H new ATOM 365 N LYS A 25 12.863 2.951 3.033 1.00 0.00 N ATOM 366 CA LYS A 25 13.182 1.831 3.893 1.00 0.00 C ATOM 367 C LYS A 25 12.116 0.746 3.719 1.00 0.00 C ATOM 368 O LYS A 25 10.937 0.984 3.975 1.00 0.00 O ATOM 369 CB LYS A 25 13.342 2.300 5.352 1.00 0.00 C ATOM 370 CG LYS A 25 14.721 1.943 5.914 1.00 0.00 C ATOM 371 CD LYS A 25 14.809 0.445 6.237 1.00 0.00 C ATOM 372 CE LYS A 25 14.583 0.166 7.732 1.00 0.00 C ATOM 373 NZ LYS A 25 13.223 0.530 8.193 1.00 0.00 N ATOM 0 H LYS A 25 11.896 2.958 2.710 1.00 0.00 H new ATOM 0 HA LYS A 25 14.141 1.395 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.195 3.379 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.568 1.842 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.493 2.209 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.913 2.525 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.067 -0.097 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.788 0.067 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.755 -0.892 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.318 0.722 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.127 0.303 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.069 1.549 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.517 -0.006 7.649 1.00 0.00 H new ATOM 387 N HIS A 26 12.565 -0.428 3.257 1.00 0.00 N ATOM 388 CA HIS A 26 11.720 -1.569 2.942 1.00 0.00 C ATOM 389 C HIS A 26 11.531 -2.403 4.218 1.00 0.00 C ATOM 390 O HIS A 26 10.521 -2.315 4.904 1.00 0.00 O ATOM 391 CB HIS A 26 12.329 -2.385 1.771 1.00 0.00 C ATOM 392 CG HIS A 26 13.036 -1.575 0.708 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.352 -1.165 0.756 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.558 -1.264 -0.538 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.640 -0.578 -0.417 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.579 -0.613 -1.236 1.00 0.00 N ATOM 0 H HIS A 26 13.555 -0.607 3.090 1.00 0.00 H new ATOM 0 HA HIS A 26 10.737 -1.241 2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.035 -3.106 2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.531 -2.956 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.569 -1.483 -0.913 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.594 -0.138 -0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.527 -0.238 -2.183 1.00 0.00 H new ATOM 404 N LYS A 27 12.552 -3.186 4.580 1.00 0.00 N ATOM 405 CA LYS A 27 12.624 -4.027 5.767 1.00 0.00 C ATOM 406 C LYS A 27 11.638 -5.200 5.763 1.00 0.00 C ATOM 407 O LYS A 27 12.065 -6.340 5.950 1.00 0.00 O ATOM 408 CB LYS A 27 12.552 -3.195 7.059 1.00 0.00 C ATOM 409 CG LYS A 27 13.301 -3.854 8.230 1.00 0.00 C ATOM 410 CD LYS A 27 14.816 -3.968 7.964 1.00 0.00 C ATOM 411 CE LYS A 27 15.256 -5.419 7.690 1.00 0.00 C ATOM 412 NZ LYS A 27 16.516 -5.492 6.918 1.00 0.00 N ATOM 0 H LYS A 27 13.399 -3.250 4.015 1.00 0.00 H new ATOM 0 HA LYS A 27 13.607 -4.496 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.972 -2.207 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.508 -3.050 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.136 -3.273 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.890 -4.847 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.080 -3.344 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.363 -3.581 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.383 -5.942 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.468 -5.937 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.769 -6.488 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.390 -5.017 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.276 -5.022 7.449 1.00 0.00 H new ATOM 426 N THR A 28 10.339 -4.950 5.599 1.00 0.00 N ATOM 427 CA THR A 28 9.325 -6.002 5.583 1.00 0.00 C ATOM 428 C THR A 28 8.159 -5.654 4.648 1.00 0.00 C ATOM 429 O THR A 28 7.135 -6.321 4.680 1.00 0.00 O ATOM 430 CB THR A 28 8.892 -6.329 7.028 1.00 0.00 C ATOM 431 OG1 THR A 28 10.038 -6.422 7.854 1.00 0.00 O ATOM 432 CG2 THR A 28 8.144 -7.663 7.166 1.00 0.00 C ATOM 0 H THR A 28 9.961 -4.011 5.473 1.00 0.00 H new ATOM 0 HA THR A 28 9.754 -6.912 5.164 1.00 0.00 H new ATOM 0 HB THR A 28 8.219 -5.523 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.764 -6.628 8.772 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.873 -7.822 8.210 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.241 -7.638 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.786 -8.477 6.830 1.00 0.00 H new ATOM 440 N GLY A 29 8.318 -4.670 3.760 1.00 0.00 N ATOM 441 CA GLY A 29 7.358 -4.288 2.737 1.00 0.00 C ATOM 442 C GLY A 29 8.156 -3.496 1.707 1.00 0.00 C ATOM 443 O GLY A 29 9.201 -2.955 2.067 1.00 0.00 O ATOM 0 H GLY A 29 9.160 -4.095 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.895 -5.166 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.554 -3.685 3.159 1.00 0.00 H new ATOM 447 N PRO A 30 7.771 -3.454 0.425 1.00 0.00 N ATOM 448 CA PRO A 30 8.433 -2.575 -0.518 1.00 0.00 C ATOM 449 C PRO A 30 8.173 -1.136 -0.090 1.00 0.00 C ATOM 450 O PRO A 30 7.017 -0.746 0.050 1.00 0.00 O ATOM 451 CB PRO A 30 7.809 -2.865 -1.891 1.00 0.00 C ATOM 452 CG PRO A 30 7.085 -4.197 -1.701 1.00 0.00 C ATOM 453 CD PRO A 30 6.725 -4.214 -0.224 1.00 0.00 C ATOM 0 HA PRO A 30 9.511 -2.730 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.119 -2.076 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.570 -2.933 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.196 -4.261 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.724 -5.040 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.746 -3.766 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.681 -5.233 0.160 1.00 0.00 H new ATOM 461 N ASN A 31 9.216 -0.335 0.130 1.00 0.00 N ATOM 462 CA ASN A 31 9.047 1.104 0.233 1.00 0.00 C ATOM 463 C ASN A 31 8.215 1.583 -0.961 1.00 0.00 C ATOM 464 O ASN A 31 8.617 1.350 -2.100 1.00 0.00 O ATOM 465 CB ASN A 31 10.420 1.771 0.236 1.00 0.00 C ATOM 466 CG ASN A 31 10.278 3.237 0.601 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.399 3.582 1.771 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.035 4.106 -0.376 1.00 0.00 N ATOM 0 H ASN A 31 10.177 -0.660 0.239 1.00 0.00 H new ATOM 0 HA ASN A 31 8.532 1.367 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.076 1.271 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.884 1.674 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.943 5.099 -0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.941 3.779 -1.338 1.00 0.00 H new ATOM 475 N LEU A 32 7.048 2.184 -0.708 1.00 0.00 N ATOM 476 CA LEU A 32 6.017 2.413 -1.715 1.00 0.00 C ATOM 477 C LEU A 32 6.488 3.460 -2.734 1.00 0.00 C ATOM 478 O LEU A 32 6.129 4.631 -2.653 1.00 0.00 O ATOM 479 CB LEU A 32 4.697 2.813 -1.034 1.00 0.00 C ATOM 480 CG LEU A 32 4.186 1.812 0.015 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.949 2.365 0.726 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.835 0.459 -0.608 1.00 0.00 C ATOM 0 H LEU A 32 6.793 2.529 0.217 1.00 0.00 H new ATOM 0 HA LEU A 32 5.835 1.490 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.830 3.783 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.932 2.938 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 32 4.994 1.665 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.601 1.643 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.203 3.300 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.160 2.546 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.478 -0.218 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.055 0.595 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.721 0.035 -1.080 1.00 0.00 H new ATOM 494 N HIS A 33 7.313 3.021 -3.687 1.00 0.00 N ATOM 495 CA HIS A 33 8.153 3.838 -4.558 1.00 0.00 C ATOM 496 C HIS A 33 7.413 4.976 -5.270 1.00 0.00 C ATOM 497 O HIS A 33 8.034 5.980 -5.614 1.00 0.00 O ATOM 498 CB HIS A 33 8.846 2.906 -5.566 1.00 0.00 C ATOM 499 CG HIS A 33 10.067 3.480 -6.245 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.328 4.809 -6.497 1.00 0.00 N ATOM 501 CD2 HIS A 33 11.126 2.757 -6.727 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.519 4.879 -7.118 1.00 0.00 C ATOM 503 NE2 HIS A 33 12.042 3.653 -7.285 1.00 0.00 N ATOM 0 H HIS A 33 7.417 2.025 -3.881 1.00 0.00 H new ATOM 0 HA HIS A 33 8.883 4.347 -3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.135 1.991 -5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.123 2.625 -6.332 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.727 5.597 -6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.234 1.683 -6.683 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.991 5.796 -7.439 1.00 0.00 H new ATOM 511 N GLY A 34 6.118 4.816 -5.545 1.00 0.00 N ATOM 512 CA GLY A 34 5.344 5.855 -6.204 1.00 0.00 C ATOM 513 C GLY A 34 3.847 5.614 -6.066 1.00 0.00 C ATOM 514 O GLY A 34 3.119 6.524 -5.683 1.00 0.00 O ATOM 0 H GLY A 34 5.588 3.974 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.598 6.825 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.611 5.893 -7.260 1.00 0.00 H new ATOM 518 N LEU A 35 3.392 4.396 -6.396 1.00 0.00 N ATOM 519 CA LEU A 35 2.000 4.012 -6.521 1.00 0.00 C ATOM 520 C LEU A 35 1.276 4.831 -7.592 1.00 0.00 C ATOM 521 O LEU A 35 1.806 5.811 -8.109 1.00 0.00 O ATOM 522 CB LEU A 35 1.308 4.050 -5.158 1.00 0.00 C ATOM 523 CG LEU A 35 1.771 2.934 -4.215 1.00 0.00 C ATOM 524 CD1 LEU A 35 1.272 3.265 -2.808 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.186 1.580 -4.633 1.00 0.00 C ATOM 0 H LEU A 35 4.027 3.621 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 35 1.957 2.980 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.497 5.015 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.230 3.971 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 35 2.858 2.868 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.589 2.484 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.687 4.222 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.184 3.325 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.531 0.807 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.097 1.630 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.513 1.339 -5.645 1.00 0.00 H new ATOM 537 N PHE A 36 0.074 4.380 -7.952 1.00 0.00 N ATOM 538 CA PHE A 36 -0.833 5.009 -8.896 1.00 0.00 C ATOM 539 C PHE A 36 -0.226 5.116 -10.303 1.00 0.00 C ATOM 540 O PHE A 36 0.770 5.802 -10.554 1.00 0.00 O ATOM 541 CB PHE A 36 -1.358 6.322 -8.310 1.00 0.00 C ATOM 542 CG PHE A 36 -2.189 6.141 -7.049 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.581 6.065 -5.782 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.583 5.983 -7.157 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.349 5.761 -4.642 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.355 5.753 -6.008 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.740 5.601 -4.757 1.00 0.00 C ATOM 0 H PHE A 36 -0.309 3.516 -7.567 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.705 4.372 -9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.513 6.973 -8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.962 6.829 -9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.520 6.241 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.059 6.039 -8.125 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.870 5.651 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.430 5.693 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.333 5.362 -3.886 1.00 0.00 H new ATOM 557 N GLY A 37 -0.782 4.360 -11.252 1.00 0.00 N ATOM 558 CA GLY A 37 -0.298 4.399 -12.630 1.00 0.00 C ATOM 559 C GLY A 37 0.921 3.495 -12.840 1.00 0.00 C ATOM 560 O GLY A 37 1.139 3.006 -13.946 1.00 0.00 O ATOM 0 H GLY A 37 -1.560 3.720 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.098 4.090 -13.303 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.038 5.424 -12.893 1.00 0.00 H new ATOM 564 N ARG A 38 1.716 3.252 -11.791 1.00 0.00 N ATOM 565 CA ARG A 38 2.744 2.231 -11.814 1.00 0.00 C ATOM 566 C ARG A 38 2.073 0.876 -12.062 1.00 0.00 C ATOM 567 O ARG A 38 1.461 0.305 -11.160 1.00 0.00 O ATOM 568 CB ARG A 38 3.533 2.215 -10.495 1.00 0.00 C ATOM 569 CG ARG A 38 4.686 3.231 -10.421 1.00 0.00 C ATOM 570 CD ARG A 38 4.289 4.617 -9.892 1.00 0.00 C ATOM 571 NE ARG A 38 3.561 5.455 -10.861 1.00 0.00 N ATOM 572 CZ ARG A 38 4.146 6.128 -11.865 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.452 5.958 -12.109 1.00 0.00 N ATOM 574 NH2 ARG A 38 3.431 6.972 -12.613 1.00 0.00 N ATOM 0 H ARG A 38 1.657 3.762 -10.909 1.00 0.00 H new ATOM 0 HA ARG A 38 3.455 2.444 -12.612 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.844 2.408 -9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.938 1.215 -10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.470 2.824 -9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.115 3.346 -11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.670 4.489 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.190 5.145 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 38 2.548 5.529 -10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.999 5.319 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.899 6.468 -12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.438 7.107 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.878 7.482 -13.375 1.00 0.00 H new ATOM 588 N LYS A 39 2.189 0.383 -13.295 1.00 0.00 N ATOM 589 CA LYS A 39 1.771 -0.948 -13.704 1.00 0.00 C ATOM 590 C LYS A 39 2.400 -1.986 -12.770 1.00 0.00 C ATOM 591 O LYS A 39 3.609 -2.207 -12.805 1.00 0.00 O ATOM 592 CB LYS A 39 2.144 -1.141 -15.181 1.00 0.00 C ATOM 593 CG LYS A 39 1.184 -0.312 -16.057 1.00 0.00 C ATOM 594 CD LYS A 39 1.850 0.505 -17.173 1.00 0.00 C ATOM 595 CE LYS A 39 2.376 -0.335 -18.346 1.00 0.00 C ATOM 596 NZ LYS A 39 3.588 -1.104 -18.000 1.00 0.00 N ATOM 0 H LYS A 39 2.592 0.923 -14.061 1.00 0.00 H new ATOM 0 HA LYS A 39 0.692 -1.077 -13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.174 -0.828 -15.352 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.082 -2.196 -15.450 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.457 -0.987 -16.509 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.629 0.370 -15.413 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.131 1.230 -17.555 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.678 1.071 -16.747 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.596 -1.022 -18.673 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.596 0.322 -19.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.080 -1.387 -18.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.220 -0.514 -17.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.319 -1.953 -17.463 1.00 0.00 H new ATOM 610 N THR A 40 1.576 -2.574 -11.903 1.00 0.00 N ATOM 611 CA THR A 40 1.956 -3.530 -10.897 1.00 0.00 C ATOM 612 C THR A 40 2.565 -4.779 -11.535 1.00 0.00 C ATOM 613 O THR A 40 2.351 -5.070 -12.710 1.00 0.00 O ATOM 614 CB THR A 40 0.670 -3.871 -10.144 1.00 0.00 C ATOM 615 OG1 THR A 40 -0.039 -2.679 -9.840 1.00 0.00 O ATOM 616 CG2 THR A 40 0.943 -4.671 -8.879 1.00 0.00 C ATOM 0 H THR A 40 0.575 -2.377 -11.894 1.00 0.00 H new ATOM 0 HA THR A 40 2.715 -3.127 -10.227 1.00 0.00 H new ATOM 0 HB THR A 40 0.059 -4.500 -10.792 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.168 -2.400 -8.924 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.001 -4.890 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.441 -5.605 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.583 -4.092 -8.213 1.00 0.00 H new ATOM 624 N GLY A 41 3.292 -5.540 -10.720 1.00 0.00 N ATOM 625 CA GLY A 41 3.853 -6.819 -11.109 1.00 0.00 C ATOM 626 C GLY A 41 5.282 -6.690 -11.644 1.00 0.00 C ATOM 627 O GLY A 41 5.812 -7.641 -12.213 1.00 0.00 O ATOM 0 H GLY A 41 3.507 -5.276 -9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.848 -7.491 -10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.221 -7.273 -11.873 1.00 0.00 H new ATOM 631 N GLN A 42 5.908 -5.523 -11.449 1.00 0.00 N ATOM 632 CA GLN A 42 7.249 -5.203 -11.917 1.00 0.00 C ATOM 633 C GLN A 42 7.754 -3.989 -11.126 1.00 0.00 C ATOM 634 O GLN A 42 7.430 -2.855 -11.475 1.00 0.00 O ATOM 635 CB GLN A 42 7.206 -4.916 -13.435 1.00 0.00 C ATOM 636 CG GLN A 42 7.887 -6.005 -14.274 1.00 0.00 C ATOM 637 CD GLN A 42 9.410 -5.917 -14.202 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.973 -5.445 -13.221 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.096 -6.353 -15.255 1.00 0.00 N ATOM 0 H GLN A 42 5.473 -4.752 -10.942 1.00 0.00 H new ATOM 0 HA GLN A 42 7.932 -6.037 -11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.167 -4.819 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.690 -3.959 -13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.564 -6.986 -13.925 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.568 -5.915 -15.312 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.603 -6.742 -16.059 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.115 -6.299 -15.258 1.00 0.00 H new ATOM 648 N ALA A 43 8.512 -4.216 -10.049 1.00 0.00 N ATOM 649 CA ALA A 43 9.212 -3.167 -9.305 1.00 0.00 C ATOM 650 C ALA A 43 10.722 -3.333 -9.469 1.00 0.00 C ATOM 651 O ALA A 43 11.200 -4.466 -9.526 1.00 0.00 O ATOM 652 CB ALA A 43 8.880 -3.236 -7.812 1.00 0.00 C ATOM 0 H ALA A 43 8.658 -5.149 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 43 8.888 -2.205 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.413 -2.446 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.807 -3.106 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.183 -4.205 -7.416 1.00 0.00 H new ATOM 658 N PRO A 44 11.498 -2.240 -9.484 1.00 0.00 N ATOM 659 CA PRO A 44 12.940 -2.339 -9.380 1.00 0.00 C ATOM 660 C PRO A 44 13.294 -2.869 -7.985 1.00 0.00 C ATOM 661 O PRO A 44 12.780 -2.387 -6.976 1.00 0.00 O ATOM 662 CB PRO A 44 13.459 -0.920 -9.634 1.00 0.00 C ATOM 663 CG PRO A 44 12.315 -0.030 -9.146 1.00 0.00 C ATOM 664 CD PRO A 44 11.063 -0.852 -9.457 1.00 0.00 C ATOM 0 HA PRO A 44 13.392 -3.028 -10.094 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.381 -0.726 -9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.675 -0.754 -10.690 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.400 0.184 -8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.304 0.929 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.295 -0.697 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.630 -0.559 -10.414 1.00 0.00 H new ATOM 672 N GLY A 45 14.157 -3.884 -7.920 1.00 0.00 N ATOM 673 CA GLY A 45 14.603 -4.462 -6.663 1.00 0.00 C ATOM 674 C GLY A 45 13.604 -5.496 -6.145 1.00 0.00 C ATOM 675 O GLY A 45 13.656 -6.655 -6.550 1.00 0.00 O ATOM 0 H GLY A 45 14.565 -4.326 -8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.577 -4.931 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.731 -3.673 -5.922 1.00 0.00 H new ATOM 679 N PHE A 46 12.717 -5.099 -5.226 1.00 0.00 N ATOM 680 CA PHE A 46 11.847 -6.036 -4.518 1.00 0.00 C ATOM 681 C PHE A 46 10.466 -6.031 -5.160 1.00 0.00 C ATOM 682 O PHE A 46 9.558 -5.352 -4.685 1.00 0.00 O ATOM 683 CB PHE A 46 11.780 -5.704 -3.017 1.00 0.00 C ATOM 684 CG PHE A 46 10.859 -6.584 -2.172 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.585 -7.923 -2.527 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.198 -6.023 -1.062 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.588 -8.645 -1.848 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.210 -6.755 -0.379 1.00 0.00 C ATOM 689 CZ PHE A 46 8.884 -8.055 -0.789 1.00 0.00 C ATOM 0 H PHE A 46 12.585 -4.125 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 46 12.262 -7.041 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.788 -5.769 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.458 -4.668 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.143 -8.394 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.451 -5.026 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.363 -9.659 -2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.701 -6.314 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.095 -8.599 -0.292 1.00 0.00 H new ATOM 699 N THR A 47 10.285 -6.822 -6.218 1.00 0.00 N ATOM 700 CA THR A 47 9.011 -6.888 -6.922 1.00 0.00 C ATOM 701 C THR A 47 8.000 -7.838 -6.274 1.00 0.00 C ATOM 702 O THR A 47 7.132 -8.350 -6.975 1.00 0.00 O ATOM 703 CB THR A 47 9.234 -7.150 -8.415 1.00 0.00 C ATOM 704 OG1 THR A 47 8.052 -6.812 -9.114 1.00 0.00 O ATOM 705 CG2 THR A 47 9.658 -8.589 -8.710 1.00 0.00 C ATOM 0 H THR A 47 11.010 -7.427 -6.605 1.00 0.00 H new ATOM 0 HA THR A 47 8.539 -5.909 -6.833 1.00 0.00 H new ATOM 0 HB THR A 47 10.061 -6.526 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.277 -7.192 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.801 -8.713 -9.783 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.592 -8.807 -8.192 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.884 -9.274 -8.365 1.00 0.00 H new ATOM 713 N TYR A 48 8.045 -7.983 -4.946 1.00 0.00 N ATOM 714 CA TYR A 48 7.068 -8.721 -4.160 1.00 0.00 C ATOM 715 C TYR A 48 7.125 -10.235 -4.445 1.00 0.00 C ATOM 716 O TYR A 48 7.966 -10.695 -5.220 1.00 0.00 O ATOM 717 CB TYR A 48 5.653 -8.123 -4.296 1.00 0.00 C ATOM 718 CG TYR A 48 5.453 -6.806 -5.031 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.234 -5.675 -4.734 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.536 -6.749 -6.094 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.192 -4.555 -5.581 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.440 -5.603 -6.895 1.00 0.00 C ATOM 723 CZ TYR A 48 5.287 -4.512 -6.653 1.00 0.00 C ATOM 724 OH TYR A 48 5.344 -3.493 -7.551 1.00 0.00 O ATOM 0 H TYR A 48 8.787 -7.575 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 48 7.338 -8.609 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.032 -8.869 -4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.256 -7.996 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.864 -5.667 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.899 -7.597 -6.296 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.859 -3.724 -5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.716 -5.560 -7.696 1.00 0.00 H new ATOM 0 HH TYR A 48 4.648 -3.616 -8.230 1.00 0.00 H new ATOM 734 N THR A 49 6.258 -11.024 -3.799 1.00 0.00 N ATOM 735 CA THR A 49 6.067 -12.441 -4.113 1.00 0.00 C ATOM 736 C THR A 49 5.680 -12.616 -5.578 1.00 0.00 C ATOM 737 O THR A 49 5.228 -11.675 -6.210 1.00 0.00 O ATOM 738 CB THR A 49 4.953 -13.048 -3.245 1.00 0.00 C ATOM 739 OG1 THR A 49 3.764 -12.281 -3.346 1.00 0.00 O ATOM 740 CG2 THR A 49 5.411 -13.170 -1.794 1.00 0.00 C ATOM 0 H THR A 49 5.666 -10.692 -3.038 1.00 0.00 H new ATOM 0 HA THR A 49 7.009 -12.950 -3.912 1.00 0.00 H new ATOM 0 HB THR A 49 4.734 -14.050 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.057 -12.701 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.609 -13.602 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.289 -13.813 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.662 -12.182 -1.407 1.00 0.00 H new ATOM 748 N ASP A 50 5.762 -13.839 -6.096 1.00 0.00 N ATOM 749 CA ASP A 50 5.089 -14.247 -7.319 1.00 0.00 C ATOM 750 C ASP A 50 3.611 -13.891 -7.245 1.00 0.00 C ATOM 751 O ASP A 50 3.105 -13.321 -8.195 1.00 0.00 O ATOM 752 CB ASP A 50 5.290 -15.757 -7.521 1.00 0.00 C ATOM 753 CG ASP A 50 4.663 -16.591 -6.405 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.636 -16.073 -5.262 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.208 -17.708 -6.720 1.00 0.00 O ATOM 0 H ASP A 50 6.309 -14.585 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 50 5.514 -13.720 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.857 -16.052 -8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.357 -15.973 -7.575 1.00 0.00 H new ATOM 760 N ALA A 51 2.913 -14.180 -6.150 1.00 0.00 N ATOM 761 CA ALA A 51 1.488 -13.887 -6.044 1.00 0.00 C ATOM 762 C ALA A 51 1.196 -12.403 -6.223 1.00 0.00 C ATOM 763 O ALA A 51 0.428 -12.017 -7.104 1.00 0.00 O ATOM 764 CB ALA A 51 0.941 -14.406 -4.708 1.00 0.00 C ATOM 0 H ALA A 51 3.314 -14.619 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 51 0.977 -14.406 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.124 -14.182 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.090 -15.484 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.468 -13.921 -3.886 1.00 0.00 H new ATOM 770 N ASN A 52 1.809 -11.559 -5.398 1.00 0.00 N ATOM 771 CA ASN A 52 1.541 -10.129 -5.460 1.00 0.00 C ATOM 772 C ASN A 52 2.150 -9.526 -6.734 1.00 0.00 C ATOM 773 O ASN A 52 1.651 -8.537 -7.259 1.00 0.00 O ATOM 774 CB ASN A 52 2.008 -9.483 -4.152 1.00 0.00 C ATOM 775 CG ASN A 52 1.400 -8.108 -3.881 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.585 -7.168 -4.647 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.708 -7.967 -2.752 1.00 0.00 N ATOM 0 H ASN A 52 2.486 -11.837 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 52 0.473 -9.927 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.761 -10.147 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.094 -9.390 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.315 -7.059 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.571 -8.767 -2.135 1.00 0.00 H new ATOM 784 N LYS A 53 3.195 -10.150 -7.287 1.00 0.00 N ATOM 785 CA LYS A 53 3.773 -9.762 -8.568 1.00 0.00 C ATOM 786 C LYS A 53 2.841 -10.160 -9.714 1.00 0.00 C ATOM 787 O LYS A 53 2.700 -9.445 -10.700 1.00 0.00 O ATOM 788 CB LYS A 53 5.146 -10.406 -8.753 1.00 0.00 C ATOM 789 CG LYS A 53 5.903 -9.944 -10.006 1.00 0.00 C ATOM 790 CD LYS A 53 7.017 -10.946 -10.323 1.00 0.00 C ATOM 791 CE LYS A 53 6.430 -12.164 -11.057 1.00 0.00 C ATOM 792 NZ LYS A 53 7.385 -13.287 -11.127 1.00 0.00 N ATOM 0 H LYS A 53 3.664 -10.944 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 53 3.895 -8.679 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.756 -10.190 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.023 -11.488 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.218 -9.865 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.325 -8.952 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.780 -10.472 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.504 -11.265 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.524 -12.491 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.140 -11.873 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.946 -14.085 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.240 -12.985 -11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.643 -13.584 -10.164 1.00 0.00 H new ATOM 806 N ASN A 54 2.175 -11.307 -9.605 1.00 0.00 N ATOM 807 CA ASN A 54 1.384 -11.880 -10.682 1.00 0.00 C ATOM 808 C ASN A 54 0.093 -11.071 -10.914 1.00 0.00 C ATOM 809 O ASN A 54 -0.744 -11.436 -11.732 1.00 0.00 O ATOM 810 CB ASN A 54 1.075 -13.352 -10.370 1.00 0.00 C ATOM 811 CG ASN A 54 0.340 -14.058 -11.507 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.740 -13.962 -12.663 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.710 -14.810 -11.190 1.00 0.00 N ATOM 0 H ASN A 54 2.172 -11.869 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 54 1.960 -11.834 -11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.007 -13.878 -10.165 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.471 -13.407 -9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.206 -15.326 -11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.020 -14.871 -10.220 1.00 0.00 H new ATOM 820 N LYS A 55 -0.103 -9.985 -10.158 1.00 0.00 N ATOM 821 CA LYS A 55 -1.371 -9.269 -10.092 1.00 0.00 C ATOM 822 C LYS A 55 -1.724 -8.550 -11.398 1.00 0.00 C ATOM 823 O LYS A 55 -2.890 -8.526 -11.785 1.00 0.00 O ATOM 824 CB LYS A 55 -1.359 -8.299 -8.898 1.00 0.00 C ATOM 825 CG LYS A 55 -2.375 -8.718 -7.828 1.00 0.00 C ATOM 826 CD LYS A 55 -3.790 -8.331 -8.280 1.00 0.00 C ATOM 827 CE LYS A 55 -4.886 -9.246 -7.721 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.225 -8.819 -8.178 1.00 0.00 N ATOM 0 H LYS A 55 0.625 -9.578 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.158 -10.009 -9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.360 -8.268 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.587 -7.291 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.318 -9.793 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.140 -8.234 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.993 -7.305 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.832 -8.351 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.702 -10.273 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.851 -9.236 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.952 -9.392 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.368 -7.816 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.298 -8.949 -9.207 1.00 0.00 H new ATOM 842 N GLY A 56 -0.740 -7.917 -12.042 1.00 0.00 N ATOM 843 CA GLY A 56 -0.928 -7.241 -13.324 1.00 0.00 C ATOM 844 C GLY A 56 -1.978 -6.121 -13.298 1.00 0.00 C ATOM 845 O GLY A 56 -2.597 -5.834 -14.319 1.00 0.00 O ATOM 0 H GLY A 56 0.214 -7.860 -11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.026 -6.822 -13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.219 -7.979 -14.072 1.00 0.00 H new ATOM 849 N ILE A 57 -2.161 -5.470 -12.145 1.00 0.00 N ATOM 850 CA ILE A 57 -2.976 -4.262 -12.004 1.00 0.00 C ATOM 851 C ILE A 57 -2.092 -3.016 -12.176 1.00 0.00 C ATOM 852 O ILE A 57 -1.037 -3.083 -12.805 1.00 0.00 O ATOM 853 CB ILE A 57 -3.775 -4.311 -10.683 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.910 -4.699 -9.473 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.935 -5.303 -10.833 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.185 -3.833 -8.250 1.00 0.00 C ATOM 0 H ILE A 57 -1.738 -5.775 -11.268 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.726 -4.205 -12.793 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.150 -3.306 -10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.093 -5.744 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.857 -4.615 -9.743 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.503 -5.342 -9.903 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.588 -4.980 -11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.540 -6.293 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.546 -4.152 -7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.976 -2.790 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.230 -3.936 -7.959 1.00 0.00 H new ATOM 868 N THR A 58 -2.518 -1.846 -11.692 1.00 0.00 N ATOM 869 CA THR A 58 -1.829 -0.585 -11.906 1.00 0.00 C ATOM 870 C THR A 58 -1.898 0.258 -10.627 1.00 0.00 C ATOM 871 O THR A 58 -2.029 1.481 -10.684 1.00 0.00 O ATOM 872 CB THR A 58 -2.483 0.038 -13.151 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.414 -0.891 -14.219 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.820 1.321 -13.620 1.00 0.00 C ATOM 0 H THR A 58 -3.366 -1.754 -11.132 1.00 0.00 H new ATOM 0 HA THR A 58 -0.761 -0.683 -12.100 1.00 0.00 H new ATOM 0 HB THR A 58 -3.507 0.280 -12.866 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.830 -0.503 -15.017 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.339 1.698 -14.501 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.866 2.066 -12.826 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.778 1.122 -13.870 1.00 0.00 H new ATOM 882 N TRP A 59 -1.830 -0.438 -9.479 1.00 0.00 N ATOM 883 CA TRP A 59 -2.103 0.048 -8.128 1.00 0.00 C ATOM 884 C TRP A 59 -2.865 1.374 -8.108 1.00 0.00 C ATOM 885 O TRP A 59 -2.334 2.402 -7.690 1.00 0.00 O ATOM 886 CB TRP A 59 -0.814 0.081 -7.299 1.00 0.00 C ATOM 887 CG TRP A 59 -0.379 -1.239 -6.744 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.838 -1.794 -6.919 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.111 -2.154 -5.866 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.884 -3.014 -6.282 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.287 -3.289 -5.609 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.387 -2.146 -5.256 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.710 -4.364 -4.811 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.809 -3.203 -4.429 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.976 -4.314 -4.210 1.00 0.00 C ATOM 0 H TRP A 59 -1.564 -1.423 -9.478 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.780 -0.663 -7.654 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.011 0.478 -7.921 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.951 0.778 -6.472 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.651 -1.350 -7.474 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.689 -3.640 -6.305 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.051 -1.312 -5.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.068 -5.219 -4.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.780 -3.161 -3.959 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.310 -5.126 -3.581 1.00 0.00 H new ATOM 906 N LYS A 60 -4.119 1.319 -8.565 1.00 0.00 N ATOM 907 CA LYS A 60 -5.013 2.464 -8.590 1.00 0.00 C ATOM 908 C LYS A 60 -5.854 2.465 -7.311 1.00 0.00 C ATOM 909 O LYS A 60 -5.898 1.464 -6.587 1.00 0.00 O ATOM 910 CB LYS A 60 -5.895 2.437 -9.854 1.00 0.00 C ATOM 911 CG LYS A 60 -6.532 1.057 -10.105 1.00 0.00 C ATOM 912 CD LYS A 60 -7.923 1.118 -10.746 1.00 0.00 C ATOM 913 CE LYS A 60 -8.012 0.888 -12.259 1.00 0.00 C ATOM 914 NZ LYS A 60 -9.432 0.890 -12.682 1.00 0.00 N ATOM 0 H LYS A 60 -4.540 0.465 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.433 3.386 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.683 3.184 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.293 2.717 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.872 0.476 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.603 0.524 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.553 0.377 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.352 2.096 -10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.464 1.668 -12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.546 -0.062 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.493 0.667 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.957 0.176 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.844 1.829 -12.509 1.00 0.00 H new ATOM 928 N GLU A 61 -6.560 3.573 -7.077 1.00 0.00 N ATOM 929 CA GLU A 61 -7.421 3.773 -5.914 1.00 0.00 C ATOM 930 C GLU A 61 -8.308 2.569 -5.665 1.00 0.00 C ATOM 931 O GLU A 61 -8.349 2.042 -4.555 1.00 0.00 O ATOM 932 CB GLU A 61 -8.204 5.096 -5.992 1.00 0.00 C ATOM 933 CG GLU A 61 -8.757 5.513 -7.366 1.00 0.00 C ATOM 934 CD GLU A 61 -9.304 6.931 -7.262 1.00 0.00 C ATOM 935 OE1 GLU A 61 -10.116 7.192 -6.352 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.763 7.837 -7.931 1.00 0.00 O ATOM 0 H GLU A 61 -6.547 4.375 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.776 3.865 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.041 5.033 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.553 5.894 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.971 5.465 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.543 4.827 -7.681 1.00 0.00 H new ATOM 943 N GLU A 62 -8.967 2.110 -6.721 1.00 0.00 N ATOM 944 CA GLU A 62 -9.958 1.066 -6.600 1.00 0.00 C ATOM 945 C GLU A 62 -9.325 -0.186 -5.977 1.00 0.00 C ATOM 946 O GLU A 62 -9.868 -0.812 -5.067 1.00 0.00 O ATOM 947 CB GLU A 62 -10.546 0.740 -7.988 1.00 0.00 C ATOM 948 CG GLU A 62 -10.920 1.942 -8.885 1.00 0.00 C ATOM 949 CD GLU A 62 -11.017 1.560 -10.361 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.004 0.348 -10.681 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.870 2.457 -11.219 1.00 0.00 O ATOM 0 H GLU A 62 -8.827 2.451 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.764 1.408 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.825 0.125 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.439 0.132 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.874 2.354 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.174 2.728 -8.764 1.00 0.00 H new ATOM 958 N THR A 63 -8.147 -0.544 -6.490 1.00 0.00 N ATOM 959 CA THR A 63 -7.455 -1.764 -6.130 1.00 0.00 C ATOM 960 C THR A 63 -6.804 -1.627 -4.758 1.00 0.00 C ATOM 961 O THR A 63 -6.861 -2.559 -3.956 1.00 0.00 O ATOM 962 CB THR A 63 -6.442 -2.125 -7.223 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.661 -1.016 -7.643 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.174 -2.669 -8.455 1.00 0.00 C ATOM 0 H THR A 63 -7.646 0.020 -7.177 1.00 0.00 H new ATOM 0 HA THR A 63 -8.171 -2.583 -6.058 1.00 0.00 H new ATOM 0 HB THR A 63 -5.778 -2.871 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.799 -0.267 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.448 -2.923 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.737 -3.560 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.858 -1.911 -8.836 1.00 0.00 H new ATOM 972 N LEU A 64 -6.198 -0.466 -4.472 1.00 0.00 N ATOM 973 CA LEU A 64 -5.689 -0.205 -3.135 1.00 0.00 C ATOM 974 C LEU A 64 -6.815 -0.341 -2.121 1.00 0.00 C ATOM 975 O LEU A 64 -6.613 -0.926 -1.067 1.00 0.00 O ATOM 976 CB LEU A 64 -5.066 1.193 -3.020 1.00 0.00 C ATOM 977 CG LEU A 64 -3.544 1.182 -3.225 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.194 1.562 -4.658 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.864 2.156 -2.259 1.00 0.00 C ATOM 0 H LEU A 64 -6.054 0.290 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.908 -0.938 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.523 1.852 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.293 1.608 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.185 0.172 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.111 1.549 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.648 0.848 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.572 2.562 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.786 2.134 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.237 3.165 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.084 1.863 -1.232 1.00 0.00 H new ATOM 991 N MET A 65 -7.991 0.203 -2.423 1.00 0.00 N ATOM 992 CA MET A 65 -9.111 0.188 -1.513 1.00 0.00 C ATOM 993 C MET A 65 -9.471 -1.254 -1.150 1.00 0.00 C ATOM 994 O MET A 65 -9.511 -1.589 0.033 1.00 0.00 O ATOM 995 CB MET A 65 -10.251 0.998 -2.140 1.00 0.00 C ATOM 996 CG MET A 65 -11.297 1.397 -1.107 1.00 0.00 C ATOM 997 SD MET A 65 -12.378 2.772 -1.593 1.00 0.00 S ATOM 998 CE MET A 65 -11.233 4.170 -1.525 1.00 0.00 C ATOM 0 H MET A 65 -8.185 0.666 -3.311 1.00 0.00 H new ATOM 0 HA MET A 65 -8.871 0.666 -0.563 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.845 1.893 -2.610 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.723 0.411 -2.928 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.917 0.528 -0.887 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.787 1.666 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.793 5.103 -1.589 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.680 4.142 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.534 4.109 -2.359 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.679 -2.118 -2.152 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.007 -3.518 -1.884 1.00 0.00 C ATOM 1010 C GLU A 66 -8.891 -4.202 -1.077 1.00 0.00 C ATOM 1011 O GLU A 66 -9.149 -4.873 -0.076 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.297 -4.277 -3.191 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.228 -5.468 -2.909 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.316 -6.450 -4.070 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.100 -6.008 -5.219 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.564 -7.641 -3.780 1.00 0.00 O ATOM 0 H GLU A 66 -9.626 -1.874 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.914 -3.541 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.759 -3.607 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.364 -4.630 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.875 -5.995 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.226 -5.094 -2.681 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.638 -4.027 -1.512 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.483 -4.650 -0.874 1.00 0.00 C ATOM 1025 C TYR A 67 -6.428 -4.269 0.599 1.00 0.00 C ATOM 1026 O TYR A 67 -6.493 -5.129 1.465 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.215 -4.209 -1.611 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.909 -4.805 -1.119 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.759 -6.198 -0.971 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.787 -3.973 -0.963 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.497 -6.756 -0.711 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.530 -4.534 -0.692 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.378 -5.923 -0.588 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.139 -6.465 -0.441 1.00 0.00 O ATOM 0 H TYR A 67 -7.401 -3.448 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.565 -5.736 -0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.329 -4.458 -2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.142 -3.123 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.622 -6.842 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.893 -2.902 -1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.390 -7.826 -0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.673 -3.890 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 67 0.245 -6.176 0.413 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.324 -2.979 0.895 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.261 -2.492 2.262 1.00 0.00 C ATOM 1046 C LEU A 68 -7.490 -2.905 3.075 1.00 0.00 C ATOM 1047 O LEU A 68 -7.354 -3.159 4.271 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.045 -0.971 2.286 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.575 -0.520 2.235 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.748 -1.182 3.345 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.912 -0.767 0.878 1.00 0.00 C ATOM 0 H LEU A 68 -6.281 -2.242 0.191 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.402 -2.960 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.573 -0.531 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.501 -0.569 3.191 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.595 0.558 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.714 -0.842 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.160 -0.910 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.782 -2.265 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.877 -0.426 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.936 -1.833 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.450 -0.218 0.105 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.676 -2.983 2.458 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.852 -3.502 3.144 1.00 0.00 C ATOM 1065 C GLU A 69 -9.633 -4.950 3.588 1.00 0.00 C ATOM 1066 O GLU A 69 -10.010 -5.312 4.702 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.100 -3.396 2.254 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.394 -3.418 3.083 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.637 -3.353 2.202 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.048 -4.429 1.724 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.160 -2.226 2.024 1.00 0.00 O ATOM 0 H GLU A 69 -8.840 -2.695 1.493 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.013 -2.892 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.056 -2.475 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.110 -4.221 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.423 -4.326 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.396 -2.576 3.775 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.087 -5.794 2.701 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.088 -7.238 2.910 1.00 0.00 C ATOM 1080 C ASN A 70 -7.952 -7.930 2.148 1.00 0.00 C ATOM 1081 O ASN A 70 -8.205 -8.666 1.196 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.445 -7.770 2.436 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.809 -9.095 3.090 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.968 -9.779 3.666 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.086 -9.467 3.016 1.00 0.00 N ATOM 0 H ASN A 70 -8.640 -5.496 1.834 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.928 -7.451 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.218 -7.034 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.425 -7.896 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.388 -10.342 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.762 -8.877 2.530 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.686 -7.727 2.526 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.575 -7.958 1.616 1.00 0.00 C ATOM 1094 C PRO A 71 -5.416 -9.435 1.271 1.00 0.00 C ATOM 1095 O PRO A 71 -5.309 -9.801 0.101 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.344 -7.334 2.276 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.743 -7.128 3.739 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.271 -7.078 3.749 1.00 0.00 C ATOM 0 HA PRO A 71 -5.744 -7.489 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.476 -7.988 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.078 -6.389 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.374 -7.942 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.319 -6.205 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.675 -7.591 4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.630 -6.050 3.789 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.466 -10.284 2.297 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.459 -11.732 2.176 1.00 0.00 C ATOM 1108 C LYS A 72 -6.600 -12.282 1.304 1.00 0.00 C ATOM 1109 O LYS A 72 -6.539 -13.442 0.904 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.512 -12.313 3.601 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.561 -13.497 3.789 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.241 -13.633 5.286 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.055 -14.569 5.524 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.448 -15.993 5.543 1.00 0.00 N ATOM 0 H LYS A 72 -5.514 -9.967 3.265 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.548 -12.037 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.260 -11.532 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.531 -12.631 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.018 -14.413 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.645 -13.342 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.019 -12.650 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.116 -14.012 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.311 -14.412 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.581 -14.314 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.607 -16.583 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.138 -16.153 6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.876 -16.247 4.630 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.648 -11.485 1.047 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.773 -11.868 0.205 1.00 0.00 C ATOM 1130 C LYS A 73 -8.554 -11.315 -1.206 1.00 0.00 C ATOM 1131 O LYS A 73 -8.693 -12.064 -2.170 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.078 -11.402 0.869 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.350 -12.147 0.439 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.974 -11.571 -0.841 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.294 -12.278 -1.192 1.00 0.00 C ATOM 1136 NZ LYS A 73 -14.447 -11.759 -0.424 1.00 0.00 N ATOM 0 H LYS A 73 -7.731 -10.543 1.428 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.850 -12.950 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.969 -11.501 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.212 -10.341 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.113 -13.199 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.082 -12.103 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.155 -10.504 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.272 -11.676 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.491 -12.160 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.189 -13.346 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.308 -12.272 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.276 -11.894 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.568 -10.745 -0.623 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.187 -10.031 -1.343 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.832 -9.455 -2.635 1.00 0.00 C ATOM 1152 C TYR A 74 -6.782 -10.289 -3.380 1.00 0.00 C ATOM 1153 O TYR A 74 -6.885 -10.479 -4.594 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.314 -8.028 -2.426 1.00 0.00 C ATOM 1155 CG TYR A 74 -7.010 -7.286 -3.713 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -8.008 -7.169 -4.695 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.711 -6.816 -3.991 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.703 -6.634 -5.954 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.410 -6.259 -5.244 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.407 -6.180 -6.227 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.046 -6.035 -7.532 1.00 0.00 O ATOM 0 H TYR A 74 -8.130 -9.374 -0.565 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.730 -9.446 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.055 -7.463 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.410 -8.066 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.015 -7.493 -4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.942 -6.885 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.468 -6.572 -6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.415 -5.893 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.113 -5.091 -7.787 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.753 -10.751 -2.662 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.721 -11.641 -3.190 1.00 0.00 C ATOM 1173 C ILE A 75 -4.686 -12.905 -2.319 1.00 0.00 C ATOM 1174 O ILE A 75 -4.363 -12.806 -1.134 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.349 -10.937 -3.223 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.401 -9.676 -4.100 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.291 -11.885 -3.809 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.192 -8.764 -3.901 1.00 0.00 C ATOM 0 H ILE A 75 -5.614 -10.511 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.955 -11.916 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.091 -10.659 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.459 -9.970 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.311 -9.120 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.324 -11.383 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.222 -12.780 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.576 -12.166 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.285 -7.891 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.146 -8.443 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.281 -9.307 -4.154 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.986 -14.096 -2.870 1.00 0.00 N ATOM 1191 CA PRO A 76 -5.050 -15.336 -2.110 1.00 0.00 C ATOM 1192 C PRO A 76 -3.640 -15.855 -1.807 1.00 0.00 C ATOM 1193 O PRO A 76 -3.214 -16.872 -2.350 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.848 -16.296 -2.998 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.451 -15.858 -4.407 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.333 -14.340 -4.263 1.00 0.00 C ATOM 0 HA PRO A 76 -5.527 -15.214 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.585 -17.337 -2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.921 -16.203 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.510 -16.310 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.202 -16.138 -5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.569 -13.943 -4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.271 -13.849 -4.524 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.919 -15.154 -0.930 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.538 -15.457 -0.596 1.00 0.00 C ATOM 1206 C GLY A 77 -0.652 -14.314 -1.074 1.00 0.00 C ATOM 1207 O GLY A 77 -0.506 -14.085 -2.264 1.00 0.00 O ATOM 0 H GLY A 77 -3.290 -14.348 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.431 -15.592 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.233 -16.392 -1.066 1.00 0.00 H new ATOM 1211 N THR A 78 -0.082 -13.577 -0.132 1.00 0.00 N ATOM 1212 CA THR A 78 0.823 -12.462 -0.301 1.00 0.00 C ATOM 1213 C THR A 78 1.671 -12.437 0.970 1.00 0.00 C ATOM 1214 O THR A 78 1.256 -12.982 1.994 1.00 0.00 O ATOM 1215 CB THR A 78 -0.005 -11.185 -0.513 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.797 -10.061 -0.821 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.905 -10.832 0.678 1.00 0.00 C ATOM 0 H THR A 78 -0.260 -13.765 0.855 1.00 0.00 H new ATOM 0 HA THR A 78 1.476 -12.544 -1.170 1.00 0.00 H new ATOM 0 HB THR A 78 -0.641 -11.422 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.730 -10.343 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.459 -9.920 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.605 -11.647 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.291 -10.678 1.565 1.00 0.00 H new ATOM 1225 N LYS A 79 2.859 -11.843 0.903 1.00 0.00 N ATOM 1226 CA LYS A 79 3.768 -11.723 2.030 1.00 0.00 C ATOM 1227 C LYS A 79 3.234 -10.713 3.050 1.00 0.00 C ATOM 1228 O LYS A 79 3.613 -10.766 4.217 1.00 0.00 O ATOM 1229 CB LYS A 79 5.127 -11.289 1.476 1.00 0.00 C ATOM 1230 CG LYS A 79 6.311 -11.355 2.449 1.00 0.00 C ATOM 1231 CD LYS A 79 6.858 -12.789 2.513 1.00 0.00 C ATOM 1232 CE LYS A 79 8.034 -12.936 3.488 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.203 -12.119 3.100 1.00 0.00 N ATOM 0 H LYS A 79 3.220 -11.425 0.046 1.00 0.00 H new ATOM 0 HA LYS A 79 3.864 -12.675 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.359 -11.912 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.038 -10.264 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.096 -10.671 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.996 -11.033 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.057 -13.465 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.178 -13.095 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.710 -12.647 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.329 -13.984 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.996 -12.320 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.480 -12.351 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.957 -11.110 3.159 1.00 0.00 H new ATOM 1247 N MET A 80 2.399 -9.766 2.610 1.00 0.00 N ATOM 1248 CA MET A 80 1.818 -8.753 3.475 1.00 0.00 C ATOM 1249 C MET A 80 0.985 -9.399 4.581 1.00 0.00 C ATOM 1250 O MET A 80 0.250 -10.359 4.349 1.00 0.00 O ATOM 1251 CB MET A 80 0.977 -7.808 2.623 1.00 0.00 C ATOM 1252 CG MET A 80 0.354 -6.627 3.370 1.00 0.00 C ATOM 1253 SD MET A 80 0.330 -5.110 2.385 1.00 0.00 S ATOM 1254 CE MET A 80 -1.342 -4.451 2.638 1.00 0.00 C ATOM 0 H MET A 80 2.110 -9.687 1.635 1.00 0.00 H new ATOM 0 HA MET A 80 2.610 -8.185 3.963 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.602 -7.418 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.177 -8.383 2.156 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.665 -6.883 3.660 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.912 -6.449 4.289 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.456 -3.524 2.077 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.076 -5.178 2.291 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.499 -4.255 3.699 1.00 0.00 H new ATOM 1264 N ILE A 81 1.107 -8.845 5.785 1.00 0.00 N ATOM 1265 CA ILE A 81 0.503 -9.348 7.005 1.00 0.00 C ATOM 1266 C ILE A 81 -0.402 -8.238 7.528 1.00 0.00 C ATOM 1267 O ILE A 81 0.036 -7.347 8.253 1.00 0.00 O ATOM 1268 CB ILE A 81 1.602 -9.712 8.016 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.682 -10.654 7.453 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.995 -10.295 9.302 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.160 -12.016 6.983 1.00 0.00 C ATOM 0 H ILE A 81 1.654 -7.998 5.938 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.078 -10.254 6.832 1.00 0.00 H new ATOM 0 HB ILE A 81 2.109 -8.775 8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.175 -10.160 6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.440 -10.815 8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.794 -10.544 10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.331 -9.560 9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.429 -11.195 9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.990 -12.612 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.694 -12.536 7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.425 -11.870 6.191 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.666 -8.266 7.116 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.675 -7.316 7.540 1.00 0.00 C ATOM 1285 C PHE A 82 -4.028 -7.998 7.328 1.00 0.00 C ATOM 1286 O PHE A 82 -4.079 -9.029 6.654 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.503 -6.015 6.743 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.097 -4.784 7.393 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.450 -4.218 8.505 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.219 -4.143 6.834 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.925 -3.021 9.068 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.683 -2.937 7.386 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.046 -2.381 8.512 1.00 0.00 C ATOM 0 H PHE A 82 -2.019 -8.967 6.464 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.591 -7.035 8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.439 -5.844 6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.959 -6.145 5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.584 -4.705 8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.722 -4.577 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.429 -2.593 9.927 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.531 -2.435 6.945 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.418 -1.465 8.947 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.098 -7.475 7.930 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.404 -8.123 7.909 1.00 0.00 C ATOM 1305 C ALA A 83 -7.498 -7.059 7.897 1.00 0.00 C ATOM 1306 O ALA A 83 -7.892 -6.608 6.827 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.518 -9.099 9.090 1.00 0.00 C ATOM 0 H ALA A 83 -5.081 -6.594 8.443 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.526 -8.715 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.495 -9.581 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.738 -9.857 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.401 -8.553 10.026 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.971 -6.645 9.074 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.886 -5.522 9.194 1.00 0.00 C ATOM 1315 C GLY A 84 -8.104 -4.215 9.100 1.00 0.00 C ATOM 1316 O GLY A 84 -6.887 -4.209 9.281 1.00 0.00 O ATOM 0 H GLY A 84 -7.728 -7.080 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.637 -5.566 8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.418 -5.572 10.144 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.807 -3.112 8.828 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.226 -1.793 8.662 1.00 0.00 C ATOM 1322 C ILE A 85 -8.550 -0.944 9.894 1.00 0.00 C ATOM 1323 O ILE A 85 -7.665 -0.708 10.710 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.637 -1.230 7.287 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -8.017 0.149 7.018 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.147 -1.207 6.990 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.229 0.156 5.710 1.00 0.00 C ATOM 0 H ILE A 85 -9.821 -3.121 8.716 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.137 -1.806 8.628 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.223 -1.959 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.804 0.902 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.359 0.422 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.316 -0.791 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.541 -2.222 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.654 -0.591 7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.802 1.146 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.427 -0.580 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.894 -0.093 4.883 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.815 -0.544 10.072 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.305 0.115 11.264 1.00 0.00 C ATOM 1341 C LYS A 86 -11.832 0.071 11.238 1.00 0.00 C ATOM 1342 O LYS A 86 -12.435 -0.781 11.882 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.737 1.538 11.342 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.381 2.355 12.461 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.397 3.437 12.910 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.886 4.353 14.032 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.884 5.413 14.278 1.00 0.00 N ATOM 0 H LYS A 86 -10.537 -0.679 9.364 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.972 -0.393 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.660 1.489 11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.894 2.043 10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.308 2.809 12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.640 1.708 13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.477 2.953 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.144 4.053 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.843 4.799 13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.050 3.775 14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.218 6.036 15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.980 4.979 14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.749 5.971 13.411 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.459 0.984 10.488 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.908 1.123 10.431 1.00 0.00 C ATOM 1363 C LYS A 87 -14.275 2.067 9.287 1.00 0.00 C ATOM 1364 O LYS A 87 -14.699 3.196 9.520 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.438 1.646 11.775 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.974 1.669 11.784 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.495 1.910 13.207 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.026 2.042 13.204 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.579 2.166 14.570 1.00 0.00 N ATOM 0 H LYS A 87 -11.963 1.653 9.898 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.369 0.153 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.075 1.014 12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.054 2.650 11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.337 2.453 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.361 0.724 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.196 1.086 13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.047 2.815 13.616 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.312 2.915 12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.463 1.172 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.614 2.253 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.329 1.322 15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.183 3.011 15.029 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.073 1.613 8.052 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.263 2.371 6.820 1.00 0.00 C ATOM 1385 C LYS A 88 -13.279 3.539 6.688 1.00 0.00 C ATOM 1386 O LYS A 88 -12.558 3.595 5.701 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.717 2.820 6.599 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.905 3.312 5.149 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.147 4.197 4.981 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.443 3.376 4.955 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.639 4.239 5.061 1.00 0.00 N ATOM 0 H LYS A 88 -13.757 0.659 7.876 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.036 1.672 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.396 1.992 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.970 3.618 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.021 3.871 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.985 2.451 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.191 4.917 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.062 4.768 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.491 2.800 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.437 2.660 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.495 3.649 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.606 4.770 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.658 4.906 4.263 1.00 0.00 H new ATOM 1405 N THR A 89 -13.268 4.476 7.640 1.00 0.00 N ATOM 1406 CA THR A 89 -12.484 5.704 7.623 1.00 0.00 C ATOM 1407 C THR A 89 -11.083 5.468 7.063 1.00 0.00 C ATOM 1408 O THR A 89 -10.723 6.074 6.058 1.00 0.00 O ATOM 1409 CB THR A 89 -12.524 6.392 9.000 1.00 0.00 C ATOM 1410 OG1 THR A 89 -11.925 7.672 8.963 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.903 5.561 10.120 1.00 0.00 C ATOM 0 H THR A 89 -13.835 4.390 8.483 1.00 0.00 H new ATOM 0 HA THR A 89 -12.938 6.412 6.930 1.00 0.00 H new ATOM 0 HB THR A 89 -13.584 6.498 9.231 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.970 8.080 9.853 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.968 6.110 11.059 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.440 4.617 10.214 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.857 5.361 9.888 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.319 4.546 7.655 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.970 4.247 7.205 1.00 0.00 C ATOM 1421 C GLU A 90 -8.929 3.700 5.778 1.00 0.00 C ATOM 1422 O GLU A 90 -7.987 3.979 5.040 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.293 3.297 8.184 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.908 4.076 9.444 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.018 3.270 10.372 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.459 2.264 9.885 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.862 3.706 11.533 1.00 0.00 O ATOM 0 H GLU A 90 -10.623 3.992 8.456 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.417 5.186 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.964 2.476 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.407 2.855 7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.394 4.994 9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.812 4.370 9.977 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.966 2.961 5.381 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.135 2.440 4.034 1.00 0.00 C ATOM 1436 C ARG A 91 -10.580 3.533 3.053 1.00 0.00 C ATOM 1437 O ARG A 91 -10.997 3.220 1.936 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.166 1.308 4.062 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.998 0.359 2.868 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.362 0.067 2.246 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.956 1.258 1.626 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.162 1.247 1.038 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.905 0.133 1.045 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.615 2.352 0.436 1.00 0.00 N ATOM 0 H ARG A 91 -10.729 2.705 6.008 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.173 2.064 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.065 0.746 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.171 1.730 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.337 0.807 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.529 -0.570 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.257 -0.717 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.035 -0.315 3.014 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.429 2.131 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.555 -0.711 1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.821 0.128 0.597 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.044 3.197 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.531 2.349 -0.013 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.516 4.799 3.469 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.501 5.954 2.603 1.00 0.00 C ATOM 1460 C GLU A 92 -9.175 6.681 2.869 1.00 0.00 C ATOM 1461 O GLU A 92 -8.362 6.864 1.970 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.751 6.784 2.936 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.086 7.823 1.859 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.461 7.151 0.540 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.272 6.199 0.596 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -11.920 7.604 -0.488 1.00 0.00 O ATOM 0 H GLU A 92 -10.472 5.045 4.458 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.544 5.724 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.601 6.114 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.600 7.292 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.911 8.449 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.230 8.480 1.705 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.948 7.053 4.134 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.828 7.836 4.638 1.00 0.00 C ATOM 1475 C ASP A 93 -6.486 7.361 4.093 1.00 0.00 C ATOM 1476 O ASP A 93 -5.779 8.130 3.454 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.828 7.817 6.181 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.901 9.206 6.784 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.315 10.146 6.208 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.691 9.369 7.735 1.00 0.00 O ATOM 0 H ASP A 93 -9.592 6.793 4.881 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.960 8.859 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.675 7.228 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.925 7.319 6.534 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.122 6.102 4.336 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.858 5.536 3.872 1.00 0.00 C ATOM 1487 C LEU A 94 -4.711 5.725 2.366 1.00 0.00 C ATOM 1488 O LEU A 94 -3.710 6.244 1.869 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.832 4.038 4.192 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.512 3.678 5.655 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.118 3.067 5.682 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.545 4.830 6.663 1.00 0.00 C ATOM 0 H LEU A 94 -6.698 5.445 4.862 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.036 6.045 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.802 3.613 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.094 3.560 3.549 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.306 3.002 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.858 2.799 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.100 2.174 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.396 3.790 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.303 4.451 7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.815 5.586 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.541 5.274 6.676 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.749 5.319 1.642 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.771 5.363 0.194 1.00 0.00 C ATOM 1506 C ILE A 95 -5.847 6.819 -0.286 1.00 0.00 C ATOM 1507 O ILE A 95 -5.656 7.067 -1.475 1.00 0.00 O ATOM 1508 CB ILE A 95 -6.903 4.442 -0.319 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.687 3.006 0.212 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -6.971 4.384 -1.853 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.657 2.652 1.340 1.00 0.00 C ATOM 0 H ILE A 95 -6.605 4.947 2.054 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.847 4.974 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.840 4.862 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.810 2.296 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.663 2.904 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.783 3.723 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.150 5.384 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.028 4.003 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.465 1.634 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.517 3.343 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.682 2.726 0.975 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.054 7.795 0.613 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.119 9.193 0.236 1.00 0.00 C ATOM 1525 C ALA A 96 -4.744 9.805 0.467 1.00 0.00 C ATOM 1526 O ALA A 96 -4.253 10.569 -0.362 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.227 9.885 1.030 1.00 0.00 C ATOM 0 H ALA A 96 -6.179 7.626 1.611 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.371 9.317 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.276 10.936 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.182 9.406 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.014 9.806 2.096 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.078 9.409 1.556 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.692 9.752 1.771 1.00 0.00 C ATOM 1535 C TYR A 97 -1.866 9.282 0.587 1.00 0.00 C ATOM 1536 O TYR A 97 -1.165 10.077 -0.024 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.120 9.133 3.051 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.599 9.261 3.135 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.019 10.413 2.620 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.212 8.196 3.568 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.409 10.508 2.519 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.616 8.309 3.512 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.220 9.465 2.976 1.00 0.00 C ATOM 1544 OH TYR A 97 3.573 9.589 2.882 1.00 0.00 O ATOM 0 H TYR A 97 -4.491 8.847 2.300 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.643 10.836 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.570 9.617 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.396 8.079 3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.593 11.242 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.242 7.291 3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.858 11.390 2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.234 7.504 3.882 1.00 0.00 H new ATOM 0 HH TYR A 97 3.793 10.317 2.264 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.906 7.994 0.259 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.003 7.493 -0.768 1.00 0.00 C ATOM 1556 C LEU A 98 -1.256 8.157 -2.121 1.00 0.00 C ATOM 1557 O LEU A 98 -0.355 8.263 -2.952 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.060 5.973 -0.839 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.692 5.351 0.517 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -0.835 3.831 0.423 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.713 5.741 0.997 1.00 0.00 C ATOM 0 H LEU A 98 -2.530 7.301 0.672 1.00 0.00 H new ATOM 0 HA LEU A 98 0.015 7.765 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.061 5.655 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.375 5.614 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.381 5.747 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.576 3.381 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.864 3.577 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.167 3.450 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.912 5.270 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.452 5.406 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.773 6.824 1.104 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.465 8.687 -2.304 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.827 9.427 -3.497 1.00 0.00 C ATOM 1575 C LYS A 99 -1.973 10.691 -3.631 1.00 0.00 C ATOM 1576 O LYS A 99 -1.631 11.090 -4.741 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.328 9.729 -3.445 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.987 9.751 -4.828 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.513 9.789 -4.629 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.232 9.665 -5.979 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.688 9.430 -5.854 1.00 0.00 N ATOM 0 H LYS A 99 -3.219 8.611 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.627 8.833 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.822 8.980 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.482 10.694 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.655 10.621 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.700 8.869 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.820 8.977 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.799 10.721 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.067 10.576 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.787 8.846 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.082 9.188 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.858 8.646 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.149 10.291 -5.496 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.603 11.295 -2.500 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.746 12.470 -2.428 1.00 0.00 C ATOM 1597 C LYS A 100 0.704 12.101 -2.105 1.00 0.00 C ATOM 1598 O LYS A 100 1.583 12.918 -2.352 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.310 13.553 -1.492 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.245 13.240 0.014 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.699 14.416 0.848 1.00 0.00 C ATOM 1602 CE LYS A 100 0.695 14.072 1.395 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.460 15.264 1.806 1.00 0.00 N ATOM 0 H LYS A 100 -1.903 10.966 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.736 12.915 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.769 14.481 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.351 13.733 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.242 12.981 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.614 12.366 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.646 15.314 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.378 14.634 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.590 13.402 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.256 13.532 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.473 15.031 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.304 16.030 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.143 15.573 2.747 1.00 0.00 H new ATOM 1617 N ALA A 101 0.979 10.886 -1.611 1.00 0.00 N ATOM 1618 CA ALA A 101 2.337 10.349 -1.526 1.00 0.00 C ATOM 1619 C ALA A 101 2.981 10.351 -2.910 1.00 0.00 C ATOM 1620 O ALA A 101 4.183 10.545 -3.043 1.00 0.00 O ATOM 1621 CB ALA A 101 2.356 8.948 -0.918 1.00 0.00 C ATOM 0 H ALA A 101 0.263 10.250 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 101 2.916 10.992 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.383 8.585 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.938 8.982 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.760 8.275 -1.535 1.00 0.00 H new ATOM 1627 N THR A 102 2.163 10.164 -3.950 1.00 0.00 N ATOM 1628 CA THR A 102 2.631 10.274 -5.325 1.00 0.00 C ATOM 1629 C THR A 102 3.170 11.679 -5.636 1.00 0.00 C ATOM 1630 O THR A 102 3.983 11.834 -6.545 1.00 0.00 O ATOM 1631 CB THR A 102 1.510 9.900 -6.306 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.534 10.920 -6.410 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.831 8.572 -5.956 1.00 0.00 C ATOM 0 H THR A 102 1.173 9.936 -3.860 1.00 0.00 H new ATOM 0 HA THR A 102 3.456 9.572 -5.446 1.00 0.00 H new ATOM 0 HB THR A 102 2.000 9.782 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.149 10.791 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.048 8.361 -6.684 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.569 7.770 -5.974 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.392 8.639 -4.960 1.00 0.00 H new ATOM 1641 N ASN A 103 2.659 12.697 -4.929 1.00 0.00 N ATOM 1642 CA ASN A 103 2.839 14.109 -5.251 1.00 0.00 C ATOM 1643 C ASN A 103 3.762 14.855 -4.278 1.00 0.00 C ATOM 1644 O ASN A 103 4.386 15.831 -4.691 1.00 0.00 O ATOM 1645 CB ASN A 103 1.457 14.774 -5.299 1.00 0.00 C ATOM 1646 CG ASN A 103 1.502 16.179 -5.898 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.180 16.429 -6.888 1.00 0.00 O ATOM 1648 ND2 ASN A 103 0.734 17.110 -5.336 1.00 0.00 N ATOM 0 H ASN A 103 2.093 12.550 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 103 3.336 14.165 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.780 14.154 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.048 14.826 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.703 18.051 -5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.177 16.883 -4.512 1.00 0.00 H new ATOM 1655 N GLU A 104 3.801 14.472 -2.993 1.00 0.00 N ATOM 1656 CA GLU A 104 4.688 15.113 -2.021 1.00 0.00 C ATOM 1657 C GLU A 104 6.157 14.746 -2.262 1.00 0.00 C ATOM 1658 O GLU A 104 6.406 13.738 -2.961 1.00 0.00 O ATOM 1659 CB GLU A 104 4.241 14.856 -0.566 1.00 0.00 C ATOM 1660 CG GLU A 104 4.206 13.381 -0.139 1.00 0.00 C ATOM 1661 CD GLU A 104 4.061 13.151 1.366 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.770 14.144 2.073 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.124 11.972 1.783 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.011 15.493 -1.735 1.00 0.00 O ATOM 0 H GLU A 104 3.228 13.722 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 104 4.608 16.189 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.912 15.395 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.246 15.280 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.377 12.890 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.121 12.897 -0.479 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.992 -3.460 2.769 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.795 -4.661 -0.455 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.292 -0.853 1.431 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.098 -2.631 5.956 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.110 -5.939 4.093 1.00 0.00 C HETATM 1677 NA HEC A 105 1.559 -2.896 0.826 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.996 -3.511 -0.323 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.538 -2.706 -1.435 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.787 -1.668 -0.916 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.857 -1.766 0.527 1.00 0.00 C HETATM 1682 CMA HEC A 105 0.008 -0.630 -1.699 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.839 -2.979 -2.893 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.320 -2.853 -3.295 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.678 -1.485 -3.867 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.661 -0.895 -3.372 1.00 0.00 O HETATM 1687 O2A HEC A 105 2.985 -1.069 -4.821 1.00 0.00 O HETATM 1688 NB HEC A 105 0.902 -2.010 3.554 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.323 -1.016 2.830 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.262 -0.099 3.779 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.085 -0.628 5.046 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.670 -1.840 4.889 1.00 0.00 C HETATM 1693 CMB HEC A 105 -0.852 1.233 3.408 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.623 -0.133 6.377 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.123 -0.372 6.513 1.00 0.00 C HETATM 1696 NC HEC A 105 2.470 -4.191 4.673 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.975 -3.675 5.815 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.574 -4.363 6.927 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.534 -5.194 6.403 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.378 -5.160 4.968 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.313 -4.066 8.385 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.736 -5.755 7.127 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.437 -6.968 8.008 1.00 0.00 C HETATM 1704 ND HEC A 105 3.222 -5.027 1.967 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.980 -5.872 2.718 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.674 -6.761 1.829 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.303 -6.429 0.549 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.378 -5.316 0.637 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.635 -7.841 2.262 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.730 -7.171 -0.693 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.662 -8.188 -1.112 1.00 0.00 C HETATM 1712 CGD HEC A 105 4.190 -9.592 -1.383 1.00 0.00 C HETATM 1713 O1D HEC A 105 5.414 -9.752 -1.563 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.346 -10.512 -1.415 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.466 -7.392 2.805 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.119 -8.549 2.910 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.015 -8.363 1.384 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.595 -3.036 8.603 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.254 -4.206 8.601 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.902 -4.742 9.005 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.086 1.853 2.943 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.674 1.085 2.707 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.225 1.728 4.305 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.689 -0.073 -2.342 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.745 -1.126 -2.311 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.481 0.056 -1.007 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.906 -8.244 -0.329 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.164 -7.822 -2.010 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.708 -6.693 8.771 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 4.033 -7.773 7.394 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.356 -7.304 8.489 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.649 0.155 5.717 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.329 -1.440 6.439 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.464 -0.002 7.480 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.944 -3.048 -2.423 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.555 -3.620 -4.033 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.903 -6.463 -1.504 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.675 -7.683 -0.510 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.499 -3.986 -3.135 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.254 -2.290 -3.503 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.829 -6.645 4.509 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.716 -2.407 6.952 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.199 0.033 1.028 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.969 -5.061 -1.454 1.00 0.00 H new HETATM 0 H2D HEC A 105 3.471 -11.043 -2.229 1.00 0.00 H new HETATM 0 H2A HEC A 105 2.476 -1.813 -5.205 1.00 0.00 H new