USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot -83:sc= 0.596 USER MOD Set 1.2: A 103 ASN : amide:sc= -4.04! K(o=-3.4!,f=-0.56) USER MOD Set 2.1: A 86 LYS NZ :NH3+ -142:sc= 0 (180deg=0) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 167:sc= -0.272 (180deg=-0.694) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -145:sc= -0.793 (180deg=-2.75!) USER MOD Set 3.2: A 58 THR OG1 : rot 170:sc= 0.581 USER MOD Set 4.1: A 31 ASN : amide:sc= 0.3 K(o=-2.2,f=-13!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -2.55! C(o=-2.2!,f=-8.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= -0.204 (180deg=-1.32!) USER MOD Single : A 12 GLN : amide:sc= -2.37! C(o=-2.4!,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= -1.98! (180deg=-2.11!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.055 USER MOD Single : A 16 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.38!) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0263 USER MOD Single : A 18 HIS : no HD1:sc= -2.41! K(o=-2.4!,f=-1.5) USER MOD Single : A 19 THR OG1 : rot -153:sc= 0.451 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.143) USER MOD Single : A 26 HIS : no HD1:sc= -0.422! C(o=-0.42!,f=-0.44!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 85:sc= -0.219 USER MOD Single : A 42 GLN : amide:sc= -4.02! K(o=-4!,f=0.36) USER MOD Single : A 47 THR OG1 : rot 36:sc= 0.218 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00622 USER MOD Single : A 49 THR OG1 : rot -78:sc= -0.432 USER MOD Single : A 52 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.3) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc=-0.00464 (180deg=-0.69) USER MOD Single : A 54 ASN : amide:sc= -10.8! C(o=-11!,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 79:sc= -2.23! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 43:sc= 0.671 USER MOD Single : A 70 ASN : amide:sc= -7.21! K(o=-7.2!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.424 (180deg=-1.12!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 21:sc= 0.566 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= -0.0101 (180deg=-0.365) USER MOD Single : A 80 MET CE :methyl 146:sc=-2.48e-05 (180deg=-0.0386) 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 144:sc= 0.138 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0354) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.598 8.402 -8.753 1.00 0.00 N ATOM 11 CA ASP A 2 74.117 7.647 -9.908 1.00 0.00 C ATOM 12 C ASP A 2 74.498 6.178 -9.789 1.00 0.00 C ATOM 13 O ASP A 2 75.523 5.748 -10.315 1.00 0.00 O ATOM 14 CB ASP A 2 74.713 8.221 -11.193 1.00 0.00 C ATOM 15 CG ASP A 2 74.182 9.630 -11.430 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.787 10.562 -10.926 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.179 9.757 -12.113 1.00 0.00 O1- ATOM 0 HA ASP A 2 73.031 7.729 -9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.801 8.240 -11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.460 7.581 -12.038 1.00 0.00 H new ATOM 22 N VAL A 3 73.661 5.414 -9.099 1.00 0.00 N ATOM 23 CA VAL A 3 73.910 3.991 -8.922 1.00 0.00 C ATOM 24 C VAL A 3 74.268 3.344 -10.257 1.00 0.00 C ATOM 25 O VAL A 3 74.840 2.254 -10.295 1.00 0.00 O ATOM 26 CB VAL A 3 72.664 3.321 -8.338 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.447 3.670 -9.196 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.856 1.803 -8.324 1.00 0.00 C ATOM 0 H VAL A 3 72.808 5.754 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 3 74.747 3.862 -8.236 1.00 0.00 H new ATOM 0 HB VAL A 3 72.507 3.677 -7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.560 3.193 -8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.307 4.751 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.606 3.315 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.968 1.328 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 3 73.015 1.447 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.722 1.551 -7.712 1.00 0.00 H new ATOM 38 N GLU A 4 73.927 4.021 -11.350 1.00 0.00 N ATOM 39 CA GLU A 4 74.218 3.494 -12.680 1.00 0.00 C ATOM 40 C GLU A 4 75.706 3.607 -12.993 1.00 0.00 C ATOM 41 O GLU A 4 76.373 2.604 -13.250 1.00 0.00 O ATOM 42 CB GLU A 4 73.411 4.258 -13.733 1.00 0.00 C ATOM 43 CG GLU A 4 71.922 3.949 -13.561 1.00 0.00 C ATOM 44 CD GLU A 4 71.642 2.502 -13.953 1.00 0.00 C ATOM 45 OE1 GLU A 4 72.009 2.125 -15.052 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 71.064 1.792 -13.146 1.00 0.00 O ATOM 0 H GLU A 4 73.455 4.925 -11.343 1.00 0.00 H new ATOM 0 HA GLU A 4 73.937 2.441 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.585 5.329 -13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.739 3.975 -14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.624 4.119 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.328 4.623 -14.178 1.00 0.00 H new ATOM 53 N LYS A 5 76.225 4.829 -12.961 1.00 0.00 N ATOM 54 CA LYS A 5 77.639 5.042 -13.235 1.00 0.00 C ATOM 55 C LYS A 5 78.471 4.527 -12.072 1.00 0.00 C ATOM 56 O LYS A 5 79.659 4.242 -12.222 1.00 0.00 O ATOM 57 CB LYS A 5 77.916 6.534 -13.464 1.00 0.00 C ATOM 58 CG LYS A 5 77.662 6.888 -14.935 1.00 0.00 C ATOM 59 CD LYS A 5 77.332 8.382 -15.064 1.00 0.00 C ATOM 60 CE LYS A 5 75.830 8.600 -14.855 1.00 0.00 C ATOM 61 NZ LYS A 5 75.585 10.015 -14.454 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.696 5.676 -12.751 1.00 0.00 H new ATOM 0 HA LYS A 5 77.912 4.495 -14.138 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.275 7.136 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.947 6.768 -13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.541 6.648 -15.533 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.838 6.290 -15.325 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.898 8.954 -14.329 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.629 8.746 -16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.287 8.371 -15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.457 7.923 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.566 10.164 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.091 10.217 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.927 10.652 -15.202 1.00 0.00 H new ATOM 75 N GLY A 6 77.830 4.381 -10.919 1.00 0.00 N ATOM 76 CA GLY A 6 78.517 3.866 -9.747 1.00 0.00 C ATOM 77 C GLY A 6 78.768 2.381 -9.938 1.00 0.00 C ATOM 78 O GLY A 6 79.777 1.838 -9.485 1.00 0.00 O ATOM 0 H GLY A 6 76.847 4.610 -10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.460 4.392 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.916 4.035 -8.853 1.00 0.00 H new ATOM 82 N LYS A 7 77.840 1.737 -10.637 1.00 0.00 N ATOM 83 CA LYS A 7 77.954 0.317 -10.920 1.00 0.00 C ATOM 84 C LYS A 7 79.099 0.075 -11.894 1.00 0.00 C ATOM 85 O LYS A 7 79.894 -0.845 -11.715 1.00 0.00 O ATOM 86 CB LYS A 7 76.647 -0.200 -11.527 1.00 0.00 C ATOM 87 CG LYS A 7 76.657 -1.735 -11.556 1.00 0.00 C ATOM 88 CD LYS A 7 75.828 -2.243 -12.745 1.00 0.00 C ATOM 89 CE LYS A 7 76.702 -2.290 -14.002 1.00 0.00 C ATOM 90 NZ LYS A 7 75.831 -2.385 -15.209 1.00 0.00 N1+ ATOM 0 H LYS A 7 77.002 2.178 -11.016 1.00 0.00 H new ATOM 0 HA LYS A 7 78.153 -0.215 -9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.798 0.156 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.525 0.191 -12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.681 -2.099 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.250 -2.127 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.433 -3.235 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.972 -1.589 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.325 -1.397 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.376 -3.146 -13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.424 -2.417 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.255 -3.249 -15.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.206 -1.555 -15.252 1.00 0.00 H new ATOM 104 N LYS A 8 79.184 0.915 -12.925 1.00 0.00 N ATOM 105 CA LYS A 8 80.244 0.776 -13.916 1.00 0.00 C ATOM 106 C LYS A 8 81.614 0.916 -13.257 1.00 0.00 C ATOM 107 O LYS A 8 82.532 0.139 -13.530 1.00 0.00 O ATOM 108 CB LYS A 8 80.086 1.843 -15.004 1.00 0.00 C ATOM 109 CG LYS A 8 81.273 1.774 -15.982 1.00 0.00 C ATOM 110 CD LYS A 8 82.295 2.871 -15.651 1.00 0.00 C ATOM 111 CE LYS A 8 81.871 4.186 -16.311 1.00 0.00 C ATOM 112 NZ LYS A 8 81.825 4.007 -17.789 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.540 1.688 -13.093 1.00 0.00 H new ATOM 0 HA LYS A 8 80.169 -0.214 -14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.151 1.690 -15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 8 80.034 2.833 -14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.747 0.794 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.918 1.894 -17.006 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.367 3.001 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.284 2.578 -16.003 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.893 4.493 -15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.573 4.979 -16.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.044 4.910 -18.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.524 3.292 -18.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 80.874 3.694 -18.071 1.00 0.00 H new ATOM 126 N ILE A 9 81.743 1.912 -12.388 1.00 0.00 N ATOM 127 CA ILE A 9 83.001 2.155 -11.696 1.00 0.00 C ATOM 128 C ILE A 9 83.305 1.033 -10.711 1.00 0.00 C ATOM 129 O ILE A 9 84.456 0.818 -10.339 1.00 0.00 O ATOM 130 CB ILE A 9 82.929 3.483 -10.943 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.691 4.626 -11.934 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.244 3.719 -10.202 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.200 5.862 -11.179 1.00 0.00 C ATOM 0 H ILE A 9 80.994 2.562 -12.147 1.00 0.00 H new ATOM 0 HA ILE A 9 83.797 2.193 -12.439 1.00 0.00 H new ATOM 0 HB ILE A 9 82.107 3.448 -10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.613 4.856 -12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.955 4.327 -12.681 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.194 4.666 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.413 2.908 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.065 3.752 -10.919 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.031 6.676 -11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.268 5.628 -10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.951 6.165 -10.449 1.00 0.00 H new ATOM 145 N PHE A 10 82.268 0.328 -10.279 1.00 0.00 N ATOM 146 CA PHE A 10 82.448 -0.757 -9.320 1.00 0.00 C ATOM 147 C PHE A 10 82.890 -2.050 -10.010 1.00 0.00 C ATOM 148 O PHE A 10 83.878 -2.663 -9.611 1.00 0.00 O ATOM 149 CB PHE A 10 81.136 -1.005 -8.562 1.00 0.00 C ATOM 150 CG PHE A 10 81.115 -2.424 -8.045 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.622 -3.454 -8.854 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.605 -2.713 -6.767 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.620 -4.772 -8.389 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.600 -4.033 -6.299 1.00 0.00 C ATOM 155 CZ PHE A 10 81.109 -5.063 -7.113 1.00 0.00 C ATOM 0 H PHE A 10 81.304 0.484 -10.572 1.00 0.00 H new ATOM 0 HA PHE A 10 83.231 -0.459 -8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.044 -0.303 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.285 -0.834 -9.221 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.242 -3.230 -9.840 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.987 -1.919 -6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.241 -5.565 -9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.974 -4.257 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.109 -6.082 -6.754 1.00 0.00 H new ATOM 165 N VAL A 11 82.145 -2.463 -11.031 1.00 0.00 N ATOM 166 CA VAL A 11 82.459 -3.699 -11.748 1.00 0.00 C ATOM 167 C VAL A 11 83.881 -3.681 -12.282 1.00 0.00 C ATOM 168 O VAL A 11 84.514 -4.727 -12.422 1.00 0.00 O ATOM 169 CB VAL A 11 81.498 -3.892 -12.921 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.074 -4.050 -12.398 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.570 -2.676 -13.841 1.00 0.00 C ATOM 0 H VAL A 11 81.326 -1.966 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 11 82.355 -4.521 -11.040 1.00 0.00 H new ATOM 0 HB VAL A 11 81.780 -4.787 -13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.392 -4.187 -13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.022 -4.919 -11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.790 -3.157 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.885 -2.812 -14.678 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.290 -1.782 -13.285 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.587 -2.565 -14.218 1.00 0.00 H new ATOM 181 N GLN A 12 84.370 -2.496 -12.612 1.00 0.00 N ATOM 182 CA GLN A 12 85.714 -2.378 -13.165 1.00 0.00 C ATOM 183 C GLN A 12 86.754 -2.035 -12.099 1.00 0.00 C ATOM 184 O GLN A 12 87.939 -2.313 -12.282 1.00 0.00 O ATOM 185 CB GLN A 12 85.727 -1.300 -14.248 1.00 0.00 C ATOM 186 CG GLN A 12 85.565 0.081 -13.611 1.00 0.00 C ATOM 187 CD GLN A 12 85.291 1.111 -14.699 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.008 2.272 -14.404 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.362 0.750 -15.951 1.00 0.00 N ATOM 0 H GLN A 12 83.868 -1.614 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 12 85.980 -3.348 -13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.662 -1.345 -14.807 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.921 -1.478 -14.960 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.746 0.068 -12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.467 0.348 -13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.597 -0.213 -16.192 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.183 1.431 -16.689 1.00 0.00 H new ATOM 198 N LYS A 13 86.328 -1.399 -11.009 1.00 0.00 N ATOM 199 CA LYS A 13 87.277 -0.997 -9.966 1.00 0.00 C ATOM 200 C LYS A 13 87.285 -1.920 -8.739 1.00 0.00 C ATOM 201 O LYS A 13 88.307 -2.532 -8.436 1.00 0.00 O ATOM 202 CB LYS A 13 86.977 0.439 -9.524 1.00 0.00 C ATOM 203 CG LYS A 13 88.230 1.062 -8.895 1.00 0.00 C ATOM 204 CD LYS A 13 88.018 2.571 -8.706 1.00 0.00 C ATOM 205 CE LYS A 13 88.466 3.318 -9.966 1.00 0.00 C ATOM 206 NZ LYS A 13 88.088 4.754 -9.852 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.355 -1.154 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 13 88.269 -1.070 -10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.655 1.033 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.157 0.444 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.439 0.591 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.096 0.884 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.967 2.778 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.584 2.922 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.544 3.224 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.001 2.877 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.466 5.278 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.052 4.840 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.482 5.148 -8.974 1.00 0.00 H new ATOM 220 N CYS A 14 86.176 -1.973 -7.999 1.00 0.00 N ATOM 221 CA CYS A 14 86.130 -2.776 -6.767 1.00 0.00 C ATOM 222 C CYS A 14 85.864 -4.263 -7.007 1.00 0.00 C ATOM 223 O CYS A 14 86.421 -5.108 -6.307 1.00 0.00 O ATOM 224 CB CYS A 14 85.067 -2.219 -5.814 1.00 0.00 C ATOM 225 SG CYS A 14 84.983 -0.410 -5.955 1.00 0.00 S ATOM 0 H CYS A 14 85.311 -1.481 -8.222 1.00 0.00 H new ATOM 0 HA CYS A 14 87.123 -2.701 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.095 -2.655 -6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.305 -2.500 -4.788 1.00 0.00 H new ATOM 0 HG CYS A 14 84.076 0.047 -5.143 1.00 0.00 H new ATOM 230 N ALA A 15 85.015 -4.591 -7.967 1.00 0.00 N ATOM 231 CA ALA A 15 84.705 -5.993 -8.225 1.00 0.00 C ATOM 232 C ALA A 15 85.984 -6.823 -8.299 1.00 0.00 C ATOM 233 O ALA A 15 85.973 -8.023 -8.021 1.00 0.00 O ATOM 234 CB ALA A 15 83.926 -6.125 -9.534 1.00 0.00 C ATOM 0 H ALA A 15 84.535 -3.924 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 15 84.094 -6.367 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.699 -7.175 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.997 -5.560 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.526 -5.734 -10.356 1.00 0.00 H new ATOM 240 N GLN A 16 87.082 -6.180 -8.676 1.00 0.00 N ATOM 241 CA GLN A 16 88.363 -6.869 -8.787 1.00 0.00 C ATOM 242 C GLN A 16 88.640 -7.729 -7.553 1.00 0.00 C ATOM 243 O GLN A 16 88.808 -8.944 -7.666 1.00 0.00 O ATOM 244 CB GLN A 16 89.489 -5.848 -8.961 1.00 0.00 C ATOM 245 CG GLN A 16 89.473 -5.307 -10.392 1.00 0.00 C ATOM 246 CD GLN A 16 90.514 -4.201 -10.542 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.908 -3.581 -9.554 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.983 -3.916 -11.725 1.00 0.00 N ATOM 0 H GLN A 16 87.112 -5.187 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 16 88.319 -7.523 -9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.365 -5.030 -8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.452 -6.313 -8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.681 -6.112 -11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.483 -4.921 -10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 16 90.655 -4.431 -12.542 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.678 -3.178 -11.834 1.00 0.00 H new ATOM 257 N CYS A 17 88.700 -7.098 -6.378 1.00 0.00 N ATOM 258 CA CYS A 17 88.975 -7.832 -5.139 1.00 0.00 C ATOM 259 C CYS A 17 87.886 -7.584 -4.090 1.00 0.00 C ATOM 260 O CYS A 17 88.183 -7.234 -2.948 1.00 0.00 O ATOM 261 CB CYS A 17 90.346 -7.418 -4.574 1.00 0.00 C ATOM 262 SG CYS A 17 91.350 -6.658 -5.882 1.00 0.00 S ATOM 0 H CYS A 17 88.564 -6.094 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 17 88.984 -8.896 -5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.213 -6.715 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.860 -8.290 -4.169 1.00 0.00 H new ATOM 0 HG CYS A 17 92.504 -6.310 -5.396 1.00 0.00 H new ATOM 267 N HIS A 18 86.625 -7.782 -4.473 1.00 0.00 N ATOM 268 CA HIS A 18 85.517 -7.584 -3.536 1.00 0.00 C ATOM 269 C HIS A 18 84.286 -8.379 -3.971 1.00 0.00 C ATOM 270 O HIS A 18 84.330 -9.131 -4.945 1.00 0.00 O ATOM 271 CB HIS A 18 85.157 -6.097 -3.442 1.00 0.00 C ATOM 272 CG HIS A 18 86.088 -5.402 -2.483 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.830 -5.324 -1.123 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.268 -4.735 -2.678 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.835 -4.628 -0.558 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.742 -4.242 -1.463 1.00 0.00 N ATOM 0 H HIS A 18 86.347 -8.075 -5.410 1.00 0.00 H new ATOM 0 HA HIS A 18 85.839 -7.941 -2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.225 -5.635 -4.427 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.126 -5.984 -3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.759 -4.609 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.901 -4.408 0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.594 -3.705 -1.300 1.00 0.00 H new ATOM 284 N THR A 19 83.192 -8.210 -3.229 1.00 0.00 N ATOM 285 CA THR A 19 81.946 -8.914 -3.525 1.00 0.00 C ATOM 286 C THR A 19 80.750 -7.977 -3.346 1.00 0.00 C ATOM 287 O THR A 19 79.833 -7.956 -4.168 1.00 0.00 O ATOM 288 CB THR A 19 81.813 -10.120 -2.584 1.00 0.00 C ATOM 289 OG1 THR A 19 83.075 -10.388 -1.990 1.00 0.00 O ATOM 290 CG2 THR A 19 81.353 -11.349 -3.366 1.00 0.00 C ATOM 0 H THR A 19 83.144 -7.592 -2.419 1.00 0.00 H new ATOM 0 HA THR A 19 81.964 -9.257 -4.560 1.00 0.00 H new ATOM 0 HB THR A 19 81.077 -9.893 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.128 -11.336 -1.747 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.262 -12.198 -2.689 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.386 -11.147 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.082 -11.580 -4.142 1.00 0.00 H new ATOM 298 N VAL A 20 80.781 -7.203 -2.265 1.00 0.00 N ATOM 299 CA VAL A 20 79.717 -6.249 -1.959 1.00 0.00 C ATOM 300 C VAL A 20 78.331 -6.837 -2.203 1.00 0.00 C ATOM 301 O VAL A 20 77.357 -6.099 -2.351 1.00 0.00 O ATOM 302 CB VAL A 20 79.896 -4.974 -2.790 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.339 -4.485 -2.659 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.598 -5.260 -4.259 1.00 0.00 C ATOM 0 H VAL A 20 81.537 -7.218 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 20 79.791 -6.009 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 20 79.208 -4.211 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.471 -3.578 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.558 -4.272 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.019 -5.256 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.728 -4.348 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.281 -6.025 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.571 -5.612 -4.360 1.00 0.00 H new ATOM 314 N GLU A 21 78.238 -8.163 -2.236 1.00 0.00 N ATOM 315 CA GLU A 21 76.952 -8.820 -2.451 1.00 0.00 C ATOM 316 C GLU A 21 76.472 -9.477 -1.158 1.00 0.00 C ATOM 317 O GLU A 21 77.106 -10.396 -0.639 1.00 0.00 O ATOM 318 CB GLU A 21 77.068 -9.858 -3.577 1.00 0.00 C ATOM 319 CG GLU A 21 77.700 -11.146 -3.047 1.00 0.00 C ATOM 320 CD GLU A 21 78.186 -12.008 -4.208 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.169 -11.525 -5.328 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.569 -13.140 -3.959 1.00 0.00 O ATOM 0 H GLU A 21 79.028 -8.798 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 21 76.218 -8.071 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 21 76.081 -10.071 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.672 -9.456 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.534 -10.906 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.973 -11.699 -2.453 1.00 0.00 H new ATOM 329 N LYS A 22 75.356 -8.983 -0.633 1.00 0.00 N ATOM 330 CA LYS A 22 74.804 -9.513 0.609 1.00 0.00 C ATOM 331 C LYS A 22 74.590 -11.024 0.503 1.00 0.00 C ATOM 332 O LYS A 22 73.998 -11.511 -0.459 1.00 0.00 O ATOM 333 CB LYS A 22 73.469 -8.816 0.920 1.00 0.00 C ATOM 334 CG LYS A 22 73.619 -7.901 2.144 1.00 0.00 C ATOM 335 CD LYS A 22 73.633 -8.744 3.425 1.00 0.00 C ATOM 336 CE LYS A 22 73.385 -7.841 4.634 1.00 0.00 C ATOM 337 NZ LYS A 22 73.428 -8.656 5.880 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.818 -8.221 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 22 75.511 -9.321 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.146 -8.232 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.696 -9.562 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.541 -7.324 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 22 72.797 -7.186 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.867 -9.517 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 22 74.592 -9.252 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 22 74.139 -7.055 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.417 -7.349 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 73.259 -8.042 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.693 -9.391 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 74.362 -9.105 5.969 1.00 0.00 H new ATOM 351 N GLY A 23 75.070 -11.753 1.506 1.00 0.00 N ATOM 352 CA GLY A 23 74.922 -13.204 1.527 1.00 0.00 C ATOM 353 C GLY A 23 75.866 -13.876 0.534 1.00 0.00 C ATOM 354 O GLY A 23 75.571 -14.955 0.020 1.00 0.00 O ATOM 0 H GLY A 23 75.562 -11.365 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.123 -13.577 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 23 73.892 -13.469 1.289 1.00 0.00 H new ATOM 358 N GLY A 24 77.001 -13.236 0.268 1.00 0.00 N ATOM 359 CA GLY A 24 77.978 -13.789 -0.666 1.00 0.00 C ATOM 360 C GLY A 24 79.180 -14.362 0.075 1.00 0.00 C ATOM 361 O GLY A 24 79.041 -14.955 1.145 1.00 0.00 O ATOM 0 H GLY A 24 77.266 -12.342 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.511 -14.570 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.308 -13.012 -1.355 1.00 0.00 H new ATOM 365 N LYS A 25 80.361 -14.175 -0.506 1.00 0.00 N ATOM 366 CA LYS A 25 81.593 -14.672 0.100 1.00 0.00 C ATOM 367 C LYS A 25 82.758 -13.743 -0.227 1.00 0.00 C ATOM 368 O LYS A 25 82.932 -13.326 -1.372 1.00 0.00 O ATOM 369 CB LYS A 25 81.899 -16.084 -0.410 1.00 0.00 C ATOM 370 CG LYS A 25 81.793 -16.129 -1.943 1.00 0.00 C ATOM 371 CD LYS A 25 80.401 -16.616 -2.355 1.00 0.00 C ATOM 372 CE LYS A 25 80.225 -16.436 -3.865 1.00 0.00 C ATOM 373 NZ LYS A 25 81.140 -17.366 -4.585 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.492 -13.686 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 25 81.459 -14.703 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.900 -16.382 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.202 -16.797 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.979 -15.139 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.555 -16.793 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.276 -17.665 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.635 -16.056 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.191 -16.634 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.441 -15.405 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.905 -17.369 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.124 -17.052 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 81.031 -18.327 -4.201 1.00 0.00 H new ATOM 387 N HIS A 26 83.551 -13.420 0.786 1.00 0.00 N ATOM 388 CA HIS A 26 84.697 -12.536 0.594 1.00 0.00 C ATOM 389 C HIS A 26 85.707 -13.171 -0.359 1.00 0.00 C ATOM 390 O HIS A 26 86.093 -14.327 -0.190 1.00 0.00 O ATOM 391 CB HIS A 26 85.368 -12.233 1.943 1.00 0.00 C ATOM 392 CG HIS A 26 85.070 -13.335 2.923 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.704 -14.565 2.870 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.206 -13.404 3.989 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.218 -15.316 3.875 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.301 -14.655 4.588 1.00 0.00 N ATOM 0 H HIS A 26 83.425 -13.753 1.742 1.00 0.00 H new ATOM 0 HA HIS A 26 84.342 -11.602 0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.445 -12.135 1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.007 -11.281 2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.552 -12.607 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.531 -16.329 4.080 1.00 0.00 H new ATOM 0 HE2 HIS A 26 83.782 -14.995 5.398 1.00 0.00 H new ATOM 405 N LYS A 27 86.128 -12.401 -1.360 1.00 0.00 N ATOM 406 CA LYS A 27 87.095 -12.886 -2.343 1.00 0.00 C ATOM 407 C LYS A 27 88.288 -11.939 -2.423 1.00 0.00 C ATOM 408 O LYS A 27 88.131 -10.751 -2.703 1.00 0.00 O ATOM 409 CB LYS A 27 86.430 -12.986 -3.718 1.00 0.00 C ATOM 410 CG LYS A 27 87.435 -13.529 -4.736 1.00 0.00 C ATOM 411 CD LYS A 27 86.716 -13.835 -6.052 1.00 0.00 C ATOM 412 CE LYS A 27 86.060 -12.560 -6.591 1.00 0.00 C ATOM 413 NZ LYS A 27 85.807 -12.711 -8.052 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.816 -11.442 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 27 87.444 -13.871 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.560 -13.641 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.072 -12.006 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.228 -12.800 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.908 -14.432 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.424 -14.227 -6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.961 -14.605 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.123 -12.370 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 27 86.706 -11.701 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.362 -11.846 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.708 -12.872 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.174 -13.521 -8.213 1.00 0.00 H new ATOM 427 N THR A 28 89.481 -12.471 -2.172 1.00 0.00 N ATOM 428 CA THR A 28 90.691 -11.658 -2.214 1.00 0.00 C ATOM 429 C THR A 28 90.455 -10.328 -1.504 1.00 0.00 C ATOM 430 O THR A 28 91.088 -9.319 -1.817 1.00 0.00 O ATOM 431 CB THR A 28 91.097 -11.406 -3.670 1.00 0.00 C ATOM 432 OG1 THR A 28 90.865 -12.582 -4.433 1.00 0.00 O ATOM 433 CG2 THR A 28 92.582 -11.038 -3.740 1.00 0.00 C ATOM 0 H THR A 28 89.635 -13.452 -1.940 1.00 0.00 H new ATOM 0 HA THR A 28 91.494 -12.192 -1.705 1.00 0.00 H new ATOM 0 HB THR A 28 90.505 -10.584 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.122 -12.423 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.864 -10.860 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.761 -10.136 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.179 -11.856 -3.337 1.00 0.00 H new ATOM 441 N GLY A 29 89.537 -10.340 -0.546 1.00 0.00 N ATOM 442 CA GLY A 29 89.212 -9.138 0.212 1.00 0.00 C ATOM 443 C GLY A 29 87.940 -9.348 1.029 1.00 0.00 C ATOM 444 O GLY A 29 87.121 -10.208 0.704 1.00 0.00 O ATOM 0 H GLY A 29 89.005 -11.167 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.039 -8.884 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.079 -8.297 -0.468 1.00 0.00 H new ATOM 448 N PRO A 30 87.759 -8.585 2.075 1.00 0.00 N ATOM 449 CA PRO A 30 86.557 -8.696 2.952 1.00 0.00 C ATOM 450 C PRO A 30 85.292 -8.190 2.261 1.00 0.00 C ATOM 451 O PRO A 30 85.362 -7.439 1.288 1.00 0.00 O ATOM 452 CB PRO A 30 86.910 -7.824 4.162 1.00 0.00 C ATOM 453 CG PRO A 30 87.901 -6.831 3.652 1.00 0.00 C ATOM 454 CD PRO A 30 88.679 -7.532 2.538 1.00 0.00 C ATOM 0 HA PRO A 30 86.337 -9.730 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 30 86.025 -7.328 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.332 -8.423 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.399 -5.940 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.571 -6.506 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.935 -6.842 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.615 -7.952 2.907 1.00 0.00 H new ATOM 462 N ASN A 31 84.139 -8.600 2.779 1.00 0.00 N ATOM 463 CA ASN A 31 82.864 -8.177 2.213 1.00 0.00 C ATOM 464 C ASN A 31 82.499 -6.792 2.737 1.00 0.00 C ATOM 465 O ASN A 31 83.002 -6.368 3.775 1.00 0.00 O ATOM 466 CB ASN A 31 81.768 -9.179 2.593 1.00 0.00 C ATOM 467 CG ASN A 31 81.363 -8.992 4.052 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.503 -8.164 4.358 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.933 -9.716 4.976 1.00 0.00 N ATOM 0 H ASN A 31 84.061 -9.221 3.585 1.00 0.00 H new ATOM 0 HA ASN A 31 82.952 -8.137 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.901 -9.042 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.125 -10.197 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.667 -9.597 5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.645 -10.401 4.721 1.00 0.00 H new ATOM 476 N LEU A 32 81.626 -6.091 2.020 1.00 0.00 N ATOM 477 CA LEU A 32 81.206 -4.752 2.437 1.00 0.00 C ATOM 478 C LEU A 32 79.713 -4.742 2.762 1.00 0.00 C ATOM 479 O LEU A 32 79.020 -3.758 2.503 1.00 0.00 O ATOM 480 CB LEU A 32 81.489 -3.722 1.334 1.00 0.00 C ATOM 481 CG LEU A 32 82.932 -3.841 0.816 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.267 -2.605 -0.026 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.920 -3.926 1.986 1.00 0.00 C ATOM 0 H LEU A 32 81.198 -6.421 1.155 1.00 0.00 H new ATOM 0 HA LEU A 32 81.776 -4.485 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.791 -3.868 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.321 -2.717 1.720 1.00 0.00 H new ATOM 0 HG LEU A 32 83.015 -4.746 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.289 -2.683 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.579 -2.542 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.171 -1.710 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.936 -4.010 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.838 -3.028 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.690 -4.801 2.594 1.00 0.00 H new ATOM 495 N HIS A 33 79.225 -5.840 3.336 1.00 0.00 N ATOM 496 CA HIS A 33 77.812 -5.941 3.697 1.00 0.00 C ATOM 497 C HIS A 33 77.479 -4.948 4.806 1.00 0.00 C ATOM 498 O HIS A 33 78.262 -4.762 5.734 1.00 0.00 O ATOM 499 CB HIS A 33 77.495 -7.360 4.173 1.00 0.00 C ATOM 500 CG HIS A 33 77.873 -8.348 3.106 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.270 -9.642 3.405 1.00 0.00 N ATOM 502 CD2 HIS A 33 77.917 -8.249 1.737 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.533 -10.265 2.241 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.334 -9.460 1.194 1.00 0.00 N ATOM 0 H HIS A 33 79.781 -6.665 3.560 1.00 0.00 H new ATOM 0 HA HIS A 33 77.211 -5.710 2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.040 -7.576 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.433 -7.448 4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.666 -7.366 1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.864 -11.290 2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.461 -9.685 0.207 1.00 0.00 H new ATOM 513 N GLY A 34 76.315 -4.307 4.704 1.00 0.00 N ATOM 514 CA GLY A 34 75.909 -3.331 5.714 1.00 0.00 C ATOM 515 C GLY A 34 77.109 -2.502 6.158 1.00 0.00 C ATOM 516 O GLY A 34 77.161 -2.002 7.281 1.00 0.00 O ATOM 0 H GLY A 34 75.647 -4.442 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.136 -2.678 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.475 -3.844 6.572 1.00 0.00 H new ATOM 520 N LEU A 35 78.075 -2.376 5.255 1.00 0.00 N ATOM 521 CA LEU A 35 79.294 -1.626 5.527 1.00 0.00 C ATOM 522 C LEU A 35 78.981 -0.321 6.257 1.00 0.00 C ATOM 523 O LEU A 35 79.490 -0.062 7.346 1.00 0.00 O ATOM 524 CB LEU A 35 79.990 -1.324 4.192 1.00 0.00 C ATOM 525 CG LEU A 35 81.197 -0.392 4.401 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.455 -1.222 4.669 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.416 0.453 3.142 1.00 0.00 C ATOM 0 H LEU A 35 78.036 -2.787 4.322 1.00 0.00 H new ATOM 0 HA LEU A 35 79.946 -2.220 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.320 -2.255 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.282 -0.861 3.505 1.00 0.00 H new ATOM 0 HG LEU A 35 81.000 0.258 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.306 -0.556 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.308 -1.826 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.648 -1.875 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.271 1.113 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.607 -0.203 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.526 1.051 2.946 1.00 0.00 H new ATOM 539 N PHE A 36 78.151 0.500 5.641 1.00 0.00 N ATOM 540 CA PHE A 36 77.785 1.785 6.222 1.00 0.00 C ATOM 541 C PHE A 36 77.208 1.615 7.626 1.00 0.00 C ATOM 542 O PHE A 36 75.996 1.476 7.792 1.00 0.00 O ATOM 543 CB PHE A 36 76.763 2.491 5.322 1.00 0.00 C ATOM 544 CG PHE A 36 77.228 2.430 3.882 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.034 1.262 3.130 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.861 3.537 3.298 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.473 1.202 1.804 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.300 3.473 1.973 1.00 0.00 C ATOM 549 CZ PHE A 36 78.108 2.306 1.225 1.00 0.00 C ATOM 0 H PHE A 36 77.716 0.303 4.739 1.00 0.00 H new ATOM 0 HA PHE A 36 78.687 2.392 6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.787 2.016 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.645 3.529 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.545 0.408 3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.009 4.439 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.322 0.302 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.788 4.326 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.450 2.258 0.202 1.00 0.00 H new ATOM 559 N GLY A 37 78.079 1.646 8.639 1.00 0.00 N ATOM 560 CA GLY A 37 77.623 1.512 10.023 1.00 0.00 C ATOM 561 C GLY A 37 78.595 0.709 10.891 1.00 0.00 C ATOM 562 O GLY A 37 78.601 0.854 12.114 1.00 0.00 O ATOM 0 H GLY A 37 79.087 1.761 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.491 2.504 10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.647 1.027 10.034 1.00 0.00 H new ATOM 566 N ARG A 38 79.400 -0.150 10.270 1.00 0.00 N ATOM 567 CA ARG A 38 80.345 -0.976 11.031 1.00 0.00 C ATOM 568 C ARG A 38 81.682 -0.261 11.241 1.00 0.00 C ATOM 569 O ARG A 38 82.043 0.647 10.495 1.00 0.00 O ATOM 570 CB ARG A 38 80.586 -2.303 10.299 1.00 0.00 C ATOM 571 CG ARG A 38 79.717 -3.414 10.896 1.00 0.00 C ATOM 572 CD ARG A 38 80.161 -4.760 10.320 1.00 0.00 C ATOM 573 NE ARG A 38 79.912 -4.795 8.883 1.00 0.00 N ATOM 574 CZ ARG A 38 80.382 -5.781 8.125 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.077 -6.745 8.662 1.00 0.00 N ATOM 576 NH2 ARG A 38 80.150 -5.784 6.842 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.421 -0.294 9.260 1.00 0.00 H new ATOM 0 HA ARG A 38 79.904 -1.164 12.010 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.359 -2.186 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.638 -2.578 10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.809 -3.421 11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.667 -3.235 10.666 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.221 -4.917 10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.622 -5.570 10.811 1.00 0.00 H new ATOM 0 HE ARG A 38 79.367 -4.049 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.261 -6.743 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.437 -7.501 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 38 79.608 -5.030 6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 38 80.511 -6.540 6.260 1.00 0.00 H new ATOM 590 N LYS A 39 82.410 -0.696 12.271 1.00 0.00 N ATOM 591 CA LYS A 39 83.710 -0.115 12.605 1.00 0.00 C ATOM 592 C LYS A 39 84.820 -0.739 11.754 1.00 0.00 C ATOM 593 O LYS A 39 84.721 -1.891 11.331 1.00 0.00 O ATOM 594 CB LYS A 39 83.994 -0.349 14.096 1.00 0.00 C ATOM 595 CG LYS A 39 85.331 0.289 14.511 1.00 0.00 C ATOM 596 CD LYS A 39 85.152 1.794 14.767 1.00 0.00 C ATOM 597 CE LYS A 39 84.225 2.018 15.970 1.00 0.00 C ATOM 598 NZ LYS A 39 82.838 2.271 15.487 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.119 -1.452 12.890 1.00 0.00 H new ATOM 0 HA LYS A 39 83.687 0.955 12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.186 0.072 14.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.019 -1.419 14.301 1.00 0.00 H new ATOM 0 HG2 LYS A 39 85.709 -0.197 15.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.074 0.133 13.729 1.00 0.00 H new ATOM 0 HD2 LYS A 39 86.121 2.257 14.954 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.735 2.274 13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.241 1.145 16.623 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.576 2.864 16.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.372 2.958 16.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.871 2.652 14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.301 1.380 15.490 1.00 0.00 H new ATOM 612 N THR A 40 85.876 0.038 11.512 1.00 0.00 N ATOM 613 CA THR A 40 87.005 -0.429 10.714 1.00 0.00 C ATOM 614 C THR A 40 87.500 -1.794 11.181 1.00 0.00 C ATOM 615 O THR A 40 87.551 -2.075 12.378 1.00 0.00 O ATOM 616 CB THR A 40 88.148 0.585 10.798 1.00 0.00 C ATOM 617 OG1 THR A 40 88.391 0.912 12.159 1.00 0.00 O ATOM 618 CG2 THR A 40 87.767 1.852 10.029 1.00 0.00 C ATOM 0 H THR A 40 85.971 0.993 11.858 1.00 0.00 H new ATOM 0 HA THR A 40 86.667 -0.529 9.683 1.00 0.00 H new ATOM 0 HB THR A 40 89.048 0.153 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 40 88.990 0.244 12.554 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.582 2.573 10.090 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.581 1.602 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.866 2.285 10.464 1.00 0.00 H new ATOM 626 N GLY A 41 87.875 -2.632 10.217 1.00 0.00 N ATOM 627 CA GLY A 41 88.381 -3.966 10.523 1.00 0.00 C ATOM 628 C GLY A 41 87.486 -4.691 11.518 1.00 0.00 C ATOM 629 O GLY A 41 87.960 -5.204 12.531 1.00 0.00 O ATOM 0 H GLY A 41 87.838 -2.411 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.451 -4.549 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.390 -3.889 10.929 1.00 0.00 H new ATOM 633 N GLN A 42 86.191 -4.728 11.226 1.00 0.00 N ATOM 634 CA GLN A 42 85.237 -5.394 12.113 1.00 0.00 C ATOM 635 C GLN A 42 84.658 -6.644 11.458 1.00 0.00 C ATOM 636 O GLN A 42 84.121 -7.516 12.139 1.00 0.00 O ATOM 637 CB GLN A 42 84.097 -4.439 12.476 1.00 0.00 C ATOM 638 CG GLN A 42 83.109 -5.158 13.400 1.00 0.00 C ATOM 639 CD GLN A 42 82.270 -4.142 14.168 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.195 -4.197 15.394 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.631 -3.211 13.514 1.00 0.00 N ATOM 0 H GLN A 42 85.778 -4.310 10.392 1.00 0.00 H new ATOM 0 HA GLN A 42 85.771 -5.688 13.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.494 -3.551 12.969 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.588 -4.102 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.459 -5.808 12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.651 -5.795 14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.695 -3.167 12.497 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.068 -2.527 14.020 1.00 0.00 H new ATOM 701 N THR A 47 92.125 -11.162 7.043 1.00 0.00 N ATOM 702 CA THR A 47 93.073 -10.717 8.059 1.00 0.00 C ATOM 703 C THR A 47 93.225 -9.200 8.021 1.00 0.00 C ATOM 704 O THR A 47 94.154 -8.675 7.410 1.00 0.00 O ATOM 705 CB THR A 47 94.435 -11.373 7.828 1.00 0.00 C ATOM 706 OG1 THR A 47 94.270 -12.782 7.732 1.00 0.00 O ATOM 707 CG2 THR A 47 95.365 -11.043 8.995 1.00 0.00 C ATOM 0 HA THR A 47 92.691 -11.009 9.037 1.00 0.00 H new ATOM 0 HB THR A 47 94.870 -10.995 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.429 -12.982 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.336 -11.511 8.830 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.490 -9.963 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.933 -11.420 9.922 1.00 0.00 H new ATOM 715 N TYR A 48 92.304 -8.504 8.679 1.00 0.00 N ATOM 716 CA TYR A 48 92.344 -7.046 8.714 1.00 0.00 C ATOM 717 C TYR A 48 93.663 -6.556 9.296 1.00 0.00 C ATOM 718 O TYR A 48 94.293 -7.240 10.102 1.00 0.00 O ATOM 719 CB TYR A 48 91.178 -6.514 9.557 1.00 0.00 C ATOM 720 CG TYR A 48 89.987 -6.260 8.670 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.022 -5.209 7.748 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.848 -7.066 8.773 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.917 -4.962 6.929 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.743 -6.818 7.955 1.00 0.00 C ATOM 725 CZ TYR A 48 87.776 -5.766 7.032 1.00 0.00 C ATOM 726 OH TYR A 48 86.682 -5.519 6.229 1.00 0.00 O ATOM 0 H TYR A 48 91.527 -8.921 9.191 1.00 0.00 H new ATOM 0 HA TYR A 48 92.255 -6.674 7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.919 -7.234 10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.471 -5.593 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.903 -4.589 7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.823 -7.879 9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.943 -4.151 6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.863 -7.438 8.035 1.00 0.00 H new ATOM 0 HH TYR A 48 85.977 -6.170 6.428 1.00 0.00 H new ATOM 736 N THR A 49 94.072 -5.363 8.880 1.00 0.00 N ATOM 737 CA THR A 49 95.317 -4.780 9.365 1.00 0.00 C ATOM 738 C THR A 49 95.095 -4.095 10.710 1.00 0.00 C ATOM 739 O THR A 49 93.997 -3.622 11.001 1.00 0.00 O ATOM 740 CB THR A 49 95.847 -3.764 8.350 1.00 0.00 C ATOM 741 OG1 THR A 49 94.991 -2.631 8.327 1.00 0.00 O ATOM 742 CG2 THR A 49 95.888 -4.406 6.962 1.00 0.00 C ATOM 0 H THR A 49 93.563 -4.784 8.212 1.00 0.00 H new ATOM 0 HA THR A 49 96.048 -5.578 9.493 1.00 0.00 H new ATOM 0 HB THR A 49 96.852 -3.453 8.634 1.00 0.00 H new ATOM 0 HG1 THR A 49 94.187 -2.839 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.265 -3.684 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.545 -5.276 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 49 94.883 -4.717 6.675 1.00 0.00 H new ATOM 750 N ASP A 50 96.142 -4.048 11.527 1.00 0.00 N ATOM 751 CA ASP A 50 96.045 -3.419 12.839 1.00 0.00 C ATOM 752 C ASP A 50 95.421 -2.032 12.725 1.00 0.00 C ATOM 753 O ASP A 50 94.632 -1.626 13.578 1.00 0.00 O ATOM 754 CB ASP A 50 97.432 -3.309 13.472 1.00 0.00 C ATOM 755 CG ASP A 50 98.143 -4.656 13.408 1.00 0.00 C ATOM 756 OD1 ASP A 50 98.768 -4.927 12.396 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 98.052 -5.398 14.372 1.00 0.00 O ATOM 0 H ASP A 50 97.060 -4.434 11.307 1.00 0.00 H new ATOM 0 HA ASP A 50 95.409 -4.039 13.471 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.020 -2.553 12.951 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.343 -2.984 14.509 1.00 0.00 H new ATOM 762 N ALA A 51 95.782 -1.309 11.670 1.00 0.00 N ATOM 763 CA ALA A 51 95.252 0.035 11.460 1.00 0.00 C ATOM 764 C ALA A 51 93.732 0.005 11.352 1.00 0.00 C ATOM 765 O ALA A 51 93.050 0.896 11.851 1.00 0.00 O ATOM 766 CB ALA A 51 95.840 0.636 10.185 1.00 0.00 C ATOM 0 H ALA A 51 96.434 -1.627 10.952 1.00 0.00 H new ATOM 0 HA ALA A 51 95.532 0.649 12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.439 1.639 10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.925 0.689 10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.576 0.010 9.333 1.00 0.00 H new ATOM 772 N ASN A 52 93.208 -1.026 10.699 1.00 0.00 N ATOM 773 CA ASN A 52 91.765 -1.157 10.537 1.00 0.00 C ATOM 774 C ASN A 52 91.146 -1.738 11.806 1.00 0.00 C ATOM 775 O ASN A 52 89.981 -1.488 12.115 1.00 0.00 O ATOM 776 CB ASN A 52 91.456 -2.070 9.345 1.00 0.00 C ATOM 777 CG ASN A 52 91.353 -1.252 8.062 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.938 -0.174 7.961 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.637 -1.706 7.070 1.00 0.00 N ATOM 0 H ASN A 52 93.755 -1.777 10.277 1.00 0.00 H new ATOM 0 HA ASN A 52 91.339 -0.171 10.354 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.238 -2.822 9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.522 -2.603 9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.561 -1.167 6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.154 -2.600 7.157 1.00 0.00 H new ATOM 786 N LYS A 53 91.942 -2.507 12.539 1.00 0.00 N ATOM 787 CA LYS A 53 91.479 -3.119 13.776 1.00 0.00 C ATOM 788 C LYS A 53 91.632 -2.130 14.923 1.00 0.00 C ATOM 789 O LYS A 53 91.079 -2.322 16.006 1.00 0.00 O ATOM 790 CB LYS A 53 92.289 -4.403 14.038 1.00 0.00 C ATOM 791 CG LYS A 53 92.600 -4.561 15.531 1.00 0.00 C ATOM 792 CD LYS A 53 93.320 -5.893 15.766 1.00 0.00 C ATOM 793 CE LYS A 53 93.199 -6.290 17.238 1.00 0.00 C ATOM 794 NZ LYS A 53 93.394 -5.087 18.096 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.910 -2.721 12.298 1.00 0.00 H new ATOM 0 HA LYS A 53 90.425 -3.383 13.694 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.729 -5.269 13.686 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.219 -4.373 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.222 -3.734 15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.678 -4.527 16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.888 -6.668 15.133 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.370 -5.804 15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.220 -6.730 17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.942 -7.049 17.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.682 -5.384 19.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.133 -4.483 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.503 -4.554 18.154 1.00 0.00 H new ATOM 808 N ASN A 54 92.387 -1.067 14.673 1.00 0.00 N ATOM 809 CA ASN A 54 92.610 -0.046 15.687 1.00 0.00 C ATOM 810 C ASN A 54 91.305 0.665 16.014 1.00 0.00 C ATOM 811 O ASN A 54 91.174 1.305 17.057 1.00 0.00 O ATOM 812 CB ASN A 54 93.634 0.969 15.173 1.00 0.00 C ATOM 813 CG ASN A 54 92.940 2.119 14.444 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.333 3.275 14.595 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.930 1.870 13.657 1.00 0.00 N ATOM 0 H ASN A 54 92.852 -0.891 13.783 1.00 0.00 H new ATOM 0 HA ASN A 54 92.988 -0.521 16.592 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.216 1.360 16.008 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.335 0.476 14.499 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.465 2.634 13.166 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.605 0.911 13.532 1.00 0.00 H new ATOM 822 N LYS A 55 90.350 0.542 15.108 1.00 0.00 N ATOM 823 CA LYS A 55 89.047 1.172 15.291 1.00 0.00 C ATOM 824 C LYS A 55 89.186 2.690 15.296 1.00 0.00 C ATOM 825 O LYS A 55 88.917 3.345 16.303 1.00 0.00 O ATOM 826 CB LYS A 55 88.418 0.714 16.610 1.00 0.00 C ATOM 827 CG LYS A 55 88.666 -0.785 16.808 1.00 0.00 C ATOM 828 CD LYS A 55 87.635 -1.353 17.786 1.00 0.00 C ATOM 829 CE LYS A 55 87.898 -2.847 17.992 1.00 0.00 C ATOM 830 NZ LYS A 55 86.715 -3.474 18.647 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.448 0.015 14.241 1.00 0.00 H new ATOM 0 HA LYS A 55 88.404 0.875 14.462 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.844 1.276 17.441 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.347 0.917 16.603 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.599 -1.304 15.852 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.673 -0.950 17.190 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.694 -0.827 18.739 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.628 -1.200 17.399 1.00 0.00 H new ATOM 0 HE2 LYS A 55 88.094 -3.328 17.034 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.786 -2.989 18.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.893 -4.489 18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.548 -3.021 19.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.877 -3.350 18.043 1.00 0.00 H new ATOM 844 N GLY A 56 89.612 3.246 14.166 1.00 0.00 N ATOM 845 CA GLY A 56 89.788 4.688 14.057 1.00 0.00 C ATOM 846 C GLY A 56 88.456 5.389 13.818 1.00 0.00 C ATOM 847 O GLY A 56 88.136 6.376 14.482 1.00 0.00 O ATOM 0 H GLY A 56 89.840 2.724 13.320 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.245 5.071 14.969 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.472 4.913 13.239 1.00 0.00 H new ATOM 851 N ILE A 57 87.682 4.878 12.866 1.00 0.00 N ATOM 852 CA ILE A 57 86.386 5.471 12.549 1.00 0.00 C ATOM 853 C ILE A 57 85.410 4.402 12.069 1.00 0.00 C ATOM 854 O ILE A 57 85.748 3.220 12.010 1.00 0.00 O ATOM 855 CB ILE A 57 86.553 6.544 11.469 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.144 5.914 10.198 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.496 7.634 11.981 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.047 5.212 9.386 1.00 0.00 C ATOM 0 H ILE A 57 87.926 4.062 12.305 1.00 0.00 H new ATOM 0 HA ILE A 57 85.984 5.929 13.453 1.00 0.00 H new ATOM 0 HB ILE A 57 85.580 6.978 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.618 6.684 9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.920 5.198 10.467 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.617 8.400 11.215 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.077 8.084 12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.467 7.196 12.213 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.483 4.772 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.592 4.428 9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.285 5.937 9.100 1.00 0.00 H new ATOM 870 N THR A 58 84.197 4.830 11.728 1.00 0.00 N ATOM 871 CA THR A 58 83.169 3.907 11.255 1.00 0.00 C ATOM 872 C THR A 58 82.843 4.174 9.789 1.00 0.00 C ATOM 873 O THR A 58 82.759 5.325 9.362 1.00 0.00 O ATOM 874 CB THR A 58 81.902 4.066 12.108 1.00 0.00 C ATOM 875 OG1 THR A 58 82.089 3.404 13.351 1.00 0.00 O ATOM 876 CG2 THR A 58 80.696 3.458 11.383 1.00 0.00 C ATOM 0 H THR A 58 83.903 5.806 11.770 1.00 0.00 H new ATOM 0 HA THR A 58 83.544 2.888 11.346 1.00 0.00 H new ATOM 0 HB THR A 58 81.715 5.127 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.356 3.636 13.959 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.804 3.577 11.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.550 3.966 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.875 2.398 11.205 1.00 0.00 H new ATOM 884 N TRP A 59 82.656 3.103 9.022 1.00 0.00 N ATOM 885 CA TRP A 59 82.334 3.243 7.608 1.00 0.00 C ATOM 886 C TRP A 59 80.999 3.961 7.439 1.00 0.00 C ATOM 887 O TRP A 59 80.026 3.658 8.128 1.00 0.00 O ATOM 888 CB TRP A 59 82.261 1.870 6.933 1.00 0.00 C ATOM 889 CG TRP A 59 83.387 1.002 7.403 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.661 1.412 7.584 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.362 -0.417 7.749 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.420 0.338 8.016 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.661 -0.810 8.140 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.349 -1.390 7.761 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.942 -2.123 8.533 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.629 -2.710 8.152 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.922 -3.074 8.538 1.00 0.00 C ATOM 0 H TRP A 59 82.721 2.140 9.352 1.00 0.00 H new ATOM 0 HA TRP A 59 83.123 3.829 7.137 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.307 1.395 7.161 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.309 1.986 5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.028 2.414 7.419 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.418 0.388 8.218 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.345 -1.121 7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.943 -2.398 8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.840 -3.448 8.154 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.131 -4.090 8.840 1.00 0.00 H new ATOM 908 N LYS A 60 80.968 4.911 6.515 1.00 0.00 N ATOM 909 CA LYS A 60 79.757 5.677 6.243 1.00 0.00 C ATOM 910 C LYS A 60 79.764 6.137 4.790 1.00 0.00 C ATOM 911 O LYS A 60 80.525 5.614 3.979 1.00 0.00 O ATOM 912 CB LYS A 60 79.685 6.894 7.171 1.00 0.00 C ATOM 913 CG LYS A 60 79.565 6.426 8.626 1.00 0.00 C ATOM 914 CD LYS A 60 79.076 7.581 9.507 1.00 0.00 C ATOM 915 CE LYS A 60 80.213 8.583 9.719 1.00 0.00 C ATOM 916 NZ LYS A 60 79.753 9.668 10.631 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.769 5.171 5.939 1.00 0.00 H new ATOM 0 HA LYS A 60 78.886 5.046 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.576 7.510 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.829 7.515 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.871 5.588 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.531 6.069 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.226 8.075 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.731 7.198 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.082 8.080 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.524 9.004 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.525 10.350 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.936 10.154 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.476 9.258 11.546 1.00 0.00 H new ATOM 930 N GLU A 61 78.923 7.110 4.459 1.00 0.00 N ATOM 931 CA GLU A 61 78.868 7.610 3.092 1.00 0.00 C ATOM 932 C GLU A 61 80.059 8.524 2.809 1.00 0.00 C ATOM 933 O GLU A 61 80.851 8.266 1.902 1.00 0.00 O ATOM 934 CB GLU A 61 77.564 8.380 2.870 1.00 0.00 C ATOM 935 CG GLU A 61 77.569 9.010 1.475 1.00 0.00 C ATOM 936 CD GLU A 61 76.154 9.428 1.087 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.242 9.134 1.842 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.004 10.035 0.040 1.00 0.00 O ATOM 0 H GLU A 61 78.279 7.562 5.108 1.00 0.00 H new ATOM 0 HA GLU A 61 78.907 6.760 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.712 7.709 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.454 9.154 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.230 9.877 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.960 8.299 0.747 1.00 0.00 H new ATOM 945 N GLU A 62 80.184 9.588 3.596 1.00 0.00 N ATOM 946 CA GLU A 62 81.282 10.530 3.418 1.00 0.00 C ATOM 947 C GLU A 62 82.615 9.875 3.761 1.00 0.00 C ATOM 948 O GLU A 62 83.596 10.024 3.034 1.00 0.00 O ATOM 949 CB GLU A 62 81.070 11.756 4.309 1.00 0.00 C ATOM 950 CG GLU A 62 79.782 12.470 3.898 1.00 0.00 C ATOM 951 CD GLU A 62 79.577 13.713 4.756 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.943 13.671 5.920 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.059 14.689 4.239 1.00 0.00 O1- ATOM 0 H GLU A 62 79.544 9.818 4.357 1.00 0.00 H new ATOM 0 HA GLU A 62 81.301 10.839 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.012 11.453 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.919 12.434 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.831 12.749 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.932 11.797 4.010 1.00 0.00 H new ATOM 960 N THR A 63 82.645 9.144 4.868 1.00 0.00 N ATOM 961 CA THR A 63 83.869 8.469 5.282 1.00 0.00 C ATOM 962 C THR A 63 84.409 7.632 4.134 1.00 0.00 C ATOM 963 O THR A 63 85.619 7.535 3.934 1.00 0.00 O ATOM 964 CB THR A 63 83.594 7.567 6.484 1.00 0.00 C ATOM 965 OG1 THR A 63 82.634 6.586 6.124 1.00 0.00 O ATOM 966 CG2 THR A 63 83.060 8.404 7.641 1.00 0.00 C ATOM 0 H THR A 63 81.848 9.004 5.488 1.00 0.00 H new ATOM 0 HA THR A 63 84.606 9.221 5.562 1.00 0.00 H new ATOM 0 HB THR A 63 84.518 7.078 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.071 5.873 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.865 7.758 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.798 9.158 7.916 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.135 8.895 7.338 1.00 0.00 H new ATOM 974 N LEU A 64 83.496 7.031 3.381 1.00 0.00 N ATOM 975 CA LEU A 64 83.886 6.205 2.248 1.00 0.00 C ATOM 976 C LEU A 64 84.469 7.074 1.137 1.00 0.00 C ATOM 977 O LEU A 64 85.357 6.642 0.405 1.00 0.00 O ATOM 978 CB LEU A 64 82.673 5.433 1.715 1.00 0.00 C ATOM 979 CG LEU A 64 82.781 3.944 2.076 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.466 3.239 1.720 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.941 3.301 1.294 1.00 0.00 C ATOM 0 H LEU A 64 82.490 7.099 3.533 1.00 0.00 H new ATOM 0 HA LEU A 64 84.644 5.496 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.757 5.849 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.609 5.547 0.633 1.00 0.00 H new ATOM 0 HG LEU A 64 82.972 3.843 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.539 2.182 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.647 3.691 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.275 3.342 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.013 2.245 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.758 3.400 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.874 3.802 1.550 1.00 0.00 H new ATOM 993 N MET A 65 83.955 8.298 1.005 1.00 0.00 N ATOM 994 CA MET A 65 84.437 9.203 -0.038 1.00 0.00 C ATOM 995 C MET A 65 85.914 9.525 0.159 1.00 0.00 C ATOM 996 O MET A 65 86.732 9.285 -0.730 1.00 0.00 O ATOM 997 CB MET A 65 83.630 10.501 -0.031 1.00 0.00 C ATOM 998 CG MET A 65 82.174 10.193 -0.377 1.00 0.00 C ATOM 999 SD MET A 65 81.156 11.654 -0.053 1.00 0.00 S ATOM 1000 CE MET A 65 80.899 12.137 -1.775 1.00 0.00 C ATOM 0 H MET A 65 83.217 8.680 1.597 1.00 0.00 H new ATOM 0 HA MET A 65 84.311 8.702 -0.998 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.690 10.975 0.949 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.046 11.205 -0.752 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.091 9.904 -1.425 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.819 9.350 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.283 13.036 -1.813 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.862 12.337 -2.244 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.396 11.330 -2.308 1.00 0.00 H new ATOM 1010 N GLU A 66 86.256 10.061 1.326 1.00 0.00 N ATOM 1011 CA GLU A 66 87.643 10.398 1.615 1.00 0.00 C ATOM 1012 C GLU A 66 88.505 9.146 1.533 1.00 0.00 C ATOM 1013 O GLU A 66 89.682 9.206 1.178 1.00 0.00 O ATOM 1014 CB GLU A 66 87.753 11.012 3.011 1.00 0.00 C ATOM 1015 CG GLU A 66 86.916 12.291 3.072 1.00 0.00 C ATOM 1016 CD GLU A 66 87.298 13.105 4.304 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.032 12.644 5.400 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.851 14.180 4.131 1.00 0.00 O ATOM 0 H GLU A 66 85.600 10.269 2.078 1.00 0.00 H new ATOM 0 HA GLU A 66 87.992 11.123 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.406 10.301 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.795 11.235 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.075 12.883 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.856 12.041 3.106 1.00 0.00 H new ATOM 1025 N TYR A 67 87.900 8.012 1.859 1.00 0.00 N ATOM 1026 CA TYR A 67 88.600 6.736 1.816 1.00 0.00 C ATOM 1027 C TYR A 67 88.705 6.242 0.376 1.00 0.00 C ATOM 1028 O TYR A 67 89.633 5.516 0.022 1.00 0.00 O ATOM 1029 CB TYR A 67 87.842 5.714 2.667 1.00 0.00 C ATOM 1030 CG TYR A 67 88.394 4.326 2.439 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.859 3.519 1.427 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.432 3.843 3.243 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.365 2.230 1.219 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.936 2.553 3.038 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.403 1.747 2.025 1.00 0.00 C ATOM 1036 OH TYR A 67 89.899 0.475 1.821 1.00 0.00 O ATOM 0 H TYR A 67 86.926 7.950 2.156 1.00 0.00 H new ATOM 0 HA TYR A 67 89.607 6.864 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.925 5.977 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.782 5.737 2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.056 3.891 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.845 4.466 4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.955 1.608 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.735 2.180 3.661 1.00 0.00 H new ATOM 0 HH TYR A 67 89.995 0.312 0.859 1.00 0.00 H new ATOM 1046 N LEU A 68 87.739 6.640 -0.444 1.00 0.00 N ATOM 1047 CA LEU A 68 87.711 6.233 -1.845 1.00 0.00 C ATOM 1048 C LEU A 68 88.695 7.060 -2.674 1.00 0.00 C ATOM 1049 O LEU A 68 89.114 6.639 -3.752 1.00 0.00 O ATOM 1050 CB LEU A 68 86.287 6.401 -2.404 1.00 0.00 C ATOM 1051 CG LEU A 68 85.501 5.088 -2.276 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.044 5.323 -2.678 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.099 4.017 -3.190 1.00 0.00 C ATOM 0 H LEU A 68 86.966 7.243 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 68 88.007 5.186 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.770 7.195 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.334 6.703 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 68 85.556 4.750 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.487 4.391 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.603 6.075 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.003 5.671 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.531 3.093 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.056 4.357 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.137 3.838 -2.910 1.00 0.00 H new ATOM 1065 N GLU A 69 89.059 8.235 -2.168 1.00 0.00 N ATOM 1066 CA GLU A 69 89.993 9.106 -2.881 1.00 0.00 C ATOM 1067 C GLU A 69 91.424 8.851 -2.417 1.00 0.00 C ATOM 1068 O GLU A 69 92.381 9.317 -3.036 1.00 0.00 O ATOM 1069 CB GLU A 69 89.619 10.578 -2.645 1.00 0.00 C ATOM 1070 CG GLU A 69 90.398 11.146 -1.453 1.00 0.00 C ATOM 1071 CD GLU A 69 89.747 12.439 -0.973 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.316 13.210 -1.816 1.00 0.00 O ATOM 1073 OE2 GLU A 69 89.689 12.641 0.228 1.00 0.00 O1- ATOM 0 H GLU A 69 88.727 8.604 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 69 89.930 8.886 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.835 11.162 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.548 10.662 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.420 10.418 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.432 11.335 -1.741 1.00 0.00 H new ATOM 1080 N ASN A 70 91.557 8.117 -1.321 1.00 0.00 N ATOM 1081 CA ASN A 70 92.873 7.811 -0.773 1.00 0.00 C ATOM 1082 C ASN A 70 92.751 6.785 0.353 1.00 0.00 C ATOM 1083 O ASN A 70 93.008 7.084 1.519 1.00 0.00 O ATOM 1084 CB ASN A 70 93.521 9.099 -0.249 1.00 0.00 C ATOM 1085 CG ASN A 70 95.041 8.995 -0.313 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.711 9.931 -0.750 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.631 7.907 0.098 1.00 0.00 N ATOM 0 H ASN A 70 90.776 7.724 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 70 93.499 7.388 -1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.183 9.950 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.206 9.280 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.647 7.832 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.076 7.132 0.460 1.00 0.00 H new ATOM 1094 N PRO A 71 92.352 5.587 0.015 1.00 0.00 N ATOM 1095 CA PRO A 71 92.169 4.478 0.999 1.00 0.00 C ATOM 1096 C PRO A 71 93.348 4.327 1.961 1.00 0.00 C ATOM 1097 O PRO A 71 93.166 3.994 3.132 1.00 0.00 O ATOM 1098 CB PRO A 71 92.038 3.233 0.115 1.00 0.00 C ATOM 1099 CG PRO A 71 91.524 3.727 -1.198 1.00 0.00 C ATOM 1100 CD PRO A 71 92.029 5.162 -1.357 1.00 0.00 C ATOM 0 HA PRO A 71 91.309 4.658 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.999 2.733 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.354 2.508 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.881 3.099 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.435 3.695 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.905 5.206 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.270 5.804 -1.804 1.00 0.00 H new ATOM 1108 N LYS A 72 94.555 4.548 1.454 1.00 0.00 N ATOM 1109 CA LYS A 72 95.755 4.405 2.271 1.00 0.00 C ATOM 1110 C LYS A 72 95.929 5.571 3.243 1.00 0.00 C ATOM 1111 O LYS A 72 96.206 5.367 4.424 1.00 0.00 O ATOM 1112 CB LYS A 72 96.985 4.324 1.365 1.00 0.00 C ATOM 1113 CG LYS A 72 98.227 3.976 2.206 1.00 0.00 C ATOM 1114 CD LYS A 72 98.849 2.663 1.710 1.00 0.00 C ATOM 1115 CE LYS A 72 97.970 1.478 2.125 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.768 1.501 3.602 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.729 4.825 0.488 1.00 0.00 H new ATOM 0 HA LYS A 72 95.647 3.491 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.832 3.568 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.135 5.275 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.958 4.782 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.950 3.882 3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.953 2.687 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.851 2.546 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.008 1.529 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.440 0.541 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.366 0.593 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.681 1.654 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 97.116 2.272 3.851 1.00 0.00 H new ATOM 1130 N LYS A 73 95.790 6.788 2.737 1.00 0.00 N ATOM 1131 CA LYS A 73 95.963 7.974 3.568 1.00 0.00 C ATOM 1132 C LYS A 73 94.917 8.046 4.680 1.00 0.00 C ATOM 1133 O LYS A 73 95.198 8.544 5.769 1.00 0.00 O ATOM 1134 CB LYS A 73 95.873 9.234 2.705 1.00 0.00 C ATOM 1135 CG LYS A 73 96.117 10.473 3.573 1.00 0.00 C ATOM 1136 CD LYS A 73 96.149 11.724 2.686 1.00 0.00 C ATOM 1137 CE LYS A 73 95.729 12.946 3.506 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.065 14.188 2.755 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.560 6.981 1.762 1.00 0.00 H new ATOM 0 HA LYS A 73 96.947 7.908 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.609 9.190 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.892 9.295 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 95.330 10.566 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.059 10.372 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.151 11.871 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 73 95.479 11.596 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.659 12.910 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 73 96.238 12.943 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.780 15.019 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 97.090 14.223 2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.560 14.191 1.846 1.00 0.00 H new ATOM 1152 N TYR A 74 93.710 7.564 4.402 1.00 0.00 N ATOM 1153 CA TYR A 74 92.644 7.607 5.401 1.00 0.00 C ATOM 1154 C TYR A 74 92.985 6.716 6.594 1.00 0.00 C ATOM 1155 O TYR A 74 93.041 7.183 7.731 1.00 0.00 O ATOM 1156 CB TYR A 74 91.318 7.159 4.770 1.00 0.00 C ATOM 1157 CG TYR A 74 90.174 7.953 5.361 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.122 9.342 5.185 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.165 7.303 6.085 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.064 10.079 5.731 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.108 8.041 6.632 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.058 9.429 6.455 1.00 0.00 C ATOM 1163 OH TYR A 74 87.015 10.156 6.993 1.00 0.00 O ATOM 0 H TYR A 74 93.446 7.146 3.510 1.00 0.00 H new ATOM 0 HA TYR A 74 92.543 8.632 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.352 7.302 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.163 6.095 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.899 9.845 4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.203 6.232 6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.024 11.149 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.331 7.540 7.190 1.00 0.00 H new ATOM 0 HH TYR A 74 86.938 11.013 6.525 1.00 0.00 H new ATOM 1173 N ILE A 75 93.221 5.435 6.326 1.00 0.00 N ATOM 1174 CA ILE A 75 93.567 4.487 7.384 1.00 0.00 C ATOM 1175 C ILE A 75 94.835 3.725 7.008 1.00 0.00 C ATOM 1176 O ILE A 75 94.786 2.534 6.702 1.00 0.00 O ATOM 1177 CB ILE A 75 92.421 3.494 7.604 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.103 4.259 7.780 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.696 2.667 8.865 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.927 3.295 7.610 1.00 0.00 C ATOM 0 H ILE A 75 93.180 5.030 5.391 1.00 0.00 H new ATOM 0 HA ILE A 75 93.739 5.043 8.305 1.00 0.00 H new ATOM 0 HB ILE A 75 92.347 2.833 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.068 4.722 8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.036 5.063 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.881 1.961 9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.632 2.121 8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.771 3.331 9.726 1.00 0.00 H new ATOM 0 HD11 ILE A 75 88.990 3.838 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.960 2.853 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 75 89.992 2.506 8.360 1.00 0.00 H new ATOM 1192 N PRO A 76 95.961 4.391 7.020 1.00 0.00 N ATOM 1193 CA PRO A 76 97.267 3.769 6.667 1.00 0.00 C ATOM 1194 C PRO A 76 97.399 2.361 7.231 1.00 0.00 C ATOM 1195 O PRO A 76 96.731 2.008 8.199 1.00 0.00 O ATOM 1196 CB PRO A 76 98.285 4.720 7.294 1.00 0.00 C ATOM 1197 CG PRO A 76 97.626 6.062 7.263 1.00 0.00 C ATOM 1198 CD PRO A 76 96.116 5.812 7.375 1.00 0.00 C ATOM 0 HA PRO A 76 97.398 3.647 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.528 4.422 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.219 4.725 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.978 6.685 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.864 6.589 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.752 6.013 8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.554 6.456 6.698 1.00 0.00 H new ATOM 1206 N GLY A 77 98.258 1.558 6.616 1.00 0.00 N ATOM 1207 CA GLY A 77 98.458 0.187 7.068 1.00 0.00 C ATOM 1208 C GLY A 77 97.433 -0.743 6.429 1.00 0.00 C ATOM 1209 O GLY A 77 97.690 -1.934 6.252 1.00 0.00 O ATOM 0 H GLY A 77 98.822 1.829 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.465 -0.143 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.373 0.140 8.154 1.00 0.00 H new ATOM 1213 N THR A 78 96.275 -0.190 6.077 1.00 0.00 N ATOM 1214 CA THR A 78 95.222 -0.982 5.451 1.00 0.00 C ATOM 1215 C THR A 78 95.764 -1.678 4.208 1.00 0.00 C ATOM 1216 O THR A 78 96.575 -1.112 3.477 1.00 0.00 O ATOM 1217 CB THR A 78 94.049 -0.083 5.066 1.00 0.00 C ATOM 1218 OG1 THR A 78 93.010 -0.874 4.507 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.518 0.945 4.042 1.00 0.00 C ATOM 0 H THR A 78 96.044 0.794 6.213 1.00 0.00 H new ATOM 0 HA THR A 78 94.878 -1.733 6.162 1.00 0.00 H new ATOM 0 HB THR A 78 93.674 0.430 5.951 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.256 -0.298 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.683 1.589 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.316 1.550 4.473 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.891 0.432 3.156 1.00 0.00 H new ATOM 1227 N LYS A 79 95.328 -2.913 3.978 1.00 0.00 N ATOM 1228 CA LYS A 79 95.803 -3.668 2.820 1.00 0.00 C ATOM 1229 C LYS A 79 94.908 -3.438 1.600 1.00 0.00 C ATOM 1230 O LYS A 79 93.933 -4.157 1.385 1.00 0.00 O ATOM 1231 CB LYS A 79 95.854 -5.164 3.161 1.00 0.00 C ATOM 1232 CG LYS A 79 96.983 -5.843 2.371 1.00 0.00 C ATOM 1233 CD LYS A 79 98.305 -5.707 3.135 1.00 0.00 C ATOM 1234 CE LYS A 79 99.402 -6.473 2.395 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.630 -5.851 1.060 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.657 -3.407 4.567 1.00 0.00 H new ATOM 0 HA LYS A 79 96.804 -3.316 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.016 -5.297 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.899 -5.633 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.749 -6.896 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.074 -5.388 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.578 -4.656 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.194 -6.096 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 79 100.324 -6.460 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.114 -7.518 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.544 -6.170 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.868 -6.133 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.638 -4.815 1.156 1.00 0.00 H new ATOM 1249 N MET A 80 95.265 -2.441 0.794 1.00 0.00 N ATOM 1250 CA MET A 80 94.506 -2.132 -0.416 1.00 0.00 C ATOM 1251 C MET A 80 95.207 -1.041 -1.220 1.00 0.00 C ATOM 1252 O MET A 80 95.030 0.148 -0.958 1.00 0.00 O ATOM 1253 CB MET A 80 93.087 -1.672 -0.064 1.00 0.00 C ATOM 1254 CG MET A 80 92.340 -1.307 -1.353 1.00 0.00 C ATOM 1255 SD MET A 80 90.583 -1.045 -0.998 1.00 0.00 S ATOM 1256 CE MET A 80 90.270 0.182 -2.290 1.00 0.00 C ATOM 0 H MET A 80 96.070 -1.836 0.955 1.00 0.00 H new ATOM 0 HA MET A 80 94.446 -3.040 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.557 -2.463 0.466 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.126 -0.811 0.604 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.770 -0.405 -1.789 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.456 -2.103 -2.088 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.256 0.059 -2.671 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.383 1.184 -1.875 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.982 0.044 -3.103 1.00 0.00 H new ATOM 1266 N ILE A 81 96.001 -1.459 -2.203 1.00 0.00 N ATOM 1267 CA ILE A 81 96.728 -0.518 -3.052 1.00 0.00 C ATOM 1268 C ILE A 81 96.395 -0.767 -4.520 1.00 0.00 C ATOM 1269 O ILE A 81 96.855 -1.743 -5.113 1.00 0.00 O ATOM 1270 CB ILE A 81 98.238 -0.675 -2.834 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.623 -0.130 -1.451 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.997 0.107 -3.911 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.148 -1.085 -0.348 1.00 0.00 C ATOM 0 H ILE A 81 96.157 -2.441 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 81 96.429 0.496 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 81 98.498 -1.732 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.704 -0.004 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.179 0.854 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 81 100.070 -0.006 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.731 -0.278 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.730 1.162 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.429 -0.684 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.064 -1.189 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.613 -2.061 -0.487 1.00 0.00 H new ATOM 1285 N PHE A 82 95.593 0.121 -5.100 1.00 0.00 N ATOM 1286 CA PHE A 82 95.204 -0.010 -6.503 1.00 0.00 C ATOM 1287 C PHE A 82 95.160 1.359 -7.174 1.00 0.00 C ATOM 1288 O PHE A 82 96.065 1.719 -7.928 1.00 0.00 O ATOM 1289 CB PHE A 82 93.830 -0.679 -6.602 1.00 0.00 C ATOM 1290 CG PHE A 82 93.387 -0.714 -8.045 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.869 -1.711 -8.901 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.495 0.251 -8.528 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.460 -1.745 -10.239 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.085 0.218 -9.866 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.568 -0.780 -10.722 1.00 0.00 C ATOM 0 H PHE A 82 95.201 0.934 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 82 95.944 -0.627 -7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.877 -1.691 -6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.104 -0.132 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.557 -2.455 -8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 82 92.123 1.021 -7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.832 -2.515 -10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.396 0.962 -10.238 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.252 -0.805 -11.755 1.00 0.00 H new ATOM 1305 N ALA A 83 94.105 2.118 -6.897 1.00 0.00 N ATOM 1306 CA ALA A 83 93.956 3.446 -7.480 1.00 0.00 C ATOM 1307 C ALA A 83 92.755 4.164 -6.874 1.00 0.00 C ATOM 1308 O ALA A 83 91.623 3.687 -6.967 1.00 0.00 O ATOM 1309 CB ALA A 83 93.776 3.336 -8.995 1.00 0.00 C ATOM 0 H ALA A 83 93.345 1.839 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 83 94.857 4.020 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.665 4.333 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.649 2.850 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.885 2.747 -9.214 1.00 0.00 H new ATOM 1315 N GLY A 84 93.007 5.311 -6.254 1.00 0.00 N ATOM 1316 CA GLY A 84 91.938 6.085 -5.634 1.00 0.00 C ATOM 1317 C GLY A 84 91.072 6.762 -6.691 1.00 0.00 C ATOM 1318 O GLY A 84 91.404 6.758 -7.876 1.00 0.00 O ATOM 0 H GLY A 84 93.936 5.724 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.321 5.431 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.366 6.838 -4.972 1.00 0.00 H new ATOM 1322 N ILE A 85 89.962 7.345 -6.252 1.00 0.00 N ATOM 1323 CA ILE A 85 89.053 8.028 -7.168 1.00 0.00 C ATOM 1324 C ILE A 85 89.557 9.442 -7.452 1.00 0.00 C ATOM 1325 O ILE A 85 90.361 9.986 -6.696 1.00 0.00 O ATOM 1326 CB ILE A 85 87.653 8.089 -6.553 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.076 6.666 -6.434 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.740 8.950 -7.429 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.357 6.266 -7.727 1.00 0.00 C ATOM 0 H ILE A 85 89.670 7.359 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 85 89.011 7.474 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 85 87.715 8.533 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.878 5.959 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.381 6.618 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.744 8.990 -6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.148 9.959 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.677 8.515 -8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.956 5.258 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.541 6.963 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.061 6.293 -8.558 1.00 0.00 H new ATOM 1341 N LYS A 86 89.089 10.030 -8.553 1.00 0.00 N ATOM 1342 CA LYS A 86 89.513 11.377 -8.929 1.00 0.00 C ATOM 1343 C LYS A 86 88.441 12.413 -8.593 1.00 0.00 C ATOM 1344 O LYS A 86 88.653 13.281 -7.747 1.00 0.00 O ATOM 1345 CB LYS A 86 89.818 11.426 -10.428 1.00 0.00 C ATOM 1346 CG LYS A 86 90.687 12.650 -10.735 1.00 0.00 C ATOM 1347 CD LYS A 86 91.060 12.664 -12.222 1.00 0.00 C ATOM 1348 CE LYS A 86 89.936 13.318 -13.031 1.00 0.00 C ATOM 1349 NZ LYS A 86 90.338 13.395 -14.465 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.423 9.599 -9.194 1.00 0.00 H new ATOM 0 HA LYS A 86 90.411 11.617 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.333 10.516 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.890 11.474 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.150 13.563 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.590 12.628 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.992 13.211 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.229 11.646 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 86 89.017 12.741 -12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 86 89.729 14.316 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.003 14.291 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.374 13.348 -14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.918 12.599 -14.987 1.00 0.00 H new ATOM 1363 N LYS A 87 87.296 12.328 -9.269 1.00 0.00 N ATOM 1364 CA LYS A 87 86.213 13.280 -9.036 1.00 0.00 C ATOM 1365 C LYS A 87 85.337 12.847 -7.865 1.00 0.00 C ATOM 1366 O LYS A 87 85.357 11.688 -7.451 1.00 0.00 O ATOM 1367 CB LYS A 87 85.354 13.409 -10.297 1.00 0.00 C ATOM 1368 CG LYS A 87 86.258 13.425 -11.530 1.00 0.00 C ATOM 1369 CD LYS A 87 85.444 13.845 -12.755 1.00 0.00 C ATOM 1370 CE LYS A 87 86.309 13.724 -14.011 1.00 0.00 C ATOM 1371 NZ LYS A 87 87.308 14.828 -14.031 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.096 11.618 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 87 86.659 14.244 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.652 12.577 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.762 14.323 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.087 14.116 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.691 12.437 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.558 13.216 -12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.096 14.871 -12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.816 12.759 -14.025 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.683 13.768 -14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 88.031 14.629 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 86.831 15.724 -14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 87.761 14.903 -13.098 1.00 0.00 H new ATOM 1385 N LYS A 88 84.564 13.789 -7.336 1.00 0.00 N ATOM 1386 CA LYS A 88 83.681 13.491 -6.216 1.00 0.00 C ATOM 1387 C LYS A 88 82.517 12.620 -6.675 1.00 0.00 C ATOM 1388 O LYS A 88 82.256 11.567 -6.095 1.00 0.00 O ATOM 1389 CB LYS A 88 83.144 14.789 -5.606 1.00 0.00 C ATOM 1390 CG LYS A 88 82.605 14.505 -4.199 1.00 0.00 C ATOM 1391 CD LYS A 88 82.105 15.809 -3.561 1.00 0.00 C ATOM 1392 CE LYS A 88 80.624 16.009 -3.886 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.149 17.287 -3.281 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.531 14.755 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 88 84.252 12.951 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.935 15.537 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.354 15.199 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.793 13.780 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.388 14.064 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 88 82.249 15.775 -2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.686 16.653 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.477 16.029 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 88 80.040 15.173 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.142 17.423 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.275 17.251 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.698 18.080 -3.669 1.00 0.00 H new ATOM 1407 N THR A 89 81.821 13.063 -7.719 1.00 0.00 N ATOM 1408 CA THR A 89 80.688 12.305 -8.236 1.00 0.00 C ATOM 1409 C THR A 89 81.083 10.854 -8.470 1.00 0.00 C ATOM 1410 O THR A 89 80.243 9.957 -8.410 1.00 0.00 O ATOM 1411 CB THR A 89 80.189 12.911 -9.545 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.262 12.976 -10.476 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.646 14.318 -9.288 1.00 0.00 C ATOM 0 H THR A 89 82.019 13.931 -8.217 1.00 0.00 H new ATOM 0 HA THR A 89 79.889 12.346 -7.496 1.00 0.00 H new ATOM 0 HB THR A 89 79.392 12.288 -9.952 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.942 13.363 -11.317 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.291 14.748 -10.225 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.822 14.266 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.438 14.945 -8.879 1.00 0.00 H new ATOM 1421 N GLU A 90 82.366 10.624 -8.721 1.00 0.00 N ATOM 1422 CA GLU A 90 82.844 9.267 -8.939 1.00 0.00 C ATOM 1423 C GLU A 90 82.720 8.490 -7.636 1.00 0.00 C ATOM 1424 O GLU A 90 82.341 7.320 -7.628 1.00 0.00 O ATOM 1425 CB GLU A 90 84.302 9.282 -9.407 1.00 0.00 C ATOM 1426 CG GLU A 90 84.366 9.605 -10.900 1.00 0.00 C ATOM 1427 CD GLU A 90 85.818 9.752 -11.339 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.625 10.162 -10.522 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.102 9.452 -12.488 1.00 0.00 O ATOM 0 H GLU A 90 83.083 11.347 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 90 82.244 8.789 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.867 10.023 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.765 8.314 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.882 8.814 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.820 10.526 -11.105 1.00 0.00 H new ATOM 1436 N ARG A 91 83.023 9.168 -6.533 1.00 0.00 N ATOM 1437 CA ARG A 91 82.924 8.555 -5.216 1.00 0.00 C ATOM 1438 C ARG A 91 81.462 8.445 -4.802 1.00 0.00 C ATOM 1439 O ARG A 91 81.001 7.382 -4.399 1.00 0.00 O ATOM 1440 CB ARG A 91 83.674 9.398 -4.182 1.00 0.00 C ATOM 1441 CG ARG A 91 85.100 9.657 -4.662 1.00 0.00 C ATOM 1442 CD ARG A 91 85.889 10.387 -3.567 1.00 0.00 C ATOM 1443 NE ARG A 91 86.580 11.541 -4.132 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.043 12.517 -3.356 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.901 12.446 -2.060 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.645 13.544 -3.889 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.338 10.138 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 91 83.368 7.561 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.156 10.344 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.692 8.882 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.588 8.714 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.084 10.255 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.213 10.710 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.610 9.707 -3.113 1.00 0.00 H new ATOM 0 HE ARG A 91 86.711 11.601 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.435 11.641 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.257 13.195 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.761 13.599 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.000 14.292 -3.294 1.00 0.00 H new ATOM 1460 N GLU A 92 80.739 9.558 -4.905 1.00 0.00 N ATOM 1461 CA GLU A 92 79.328 9.574 -4.537 1.00 0.00 C ATOM 1462 C GLU A 92 78.566 8.512 -5.322 1.00 0.00 C ATOM 1463 O GLU A 92 77.883 7.668 -4.740 1.00 0.00 O ATOM 1464 CB GLU A 92 78.729 10.953 -4.823 1.00 0.00 C ATOM 1465 CG GLU A 92 77.328 11.039 -4.213 1.00 0.00 C ATOM 1466 CD GLU A 92 76.707 12.396 -4.525 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.377 13.202 -5.149 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.571 12.609 -4.137 1.00 0.00 O ATOM 0 H GLU A 92 81.103 10.451 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 92 79.243 9.358 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.367 11.732 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.680 11.124 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.700 10.242 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.382 10.894 -3.134 1.00 0.00 H new ATOM 1475 N ASP A 93 78.696 8.552 -6.644 1.00 0.00 N ATOM 1476 CA ASP A 93 78.021 7.576 -7.492 1.00 0.00 C ATOM 1477 C ASP A 93 78.468 6.167 -7.120 1.00 0.00 C ATOM 1478 O ASP A 93 77.644 5.275 -6.917 1.00 0.00 O ATOM 1479 CB ASP A 93 78.344 7.845 -8.963 1.00 0.00 C ATOM 1480 CG ASP A 93 77.830 9.223 -9.366 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.194 9.861 -8.543 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.081 9.621 -10.492 1.00 0.00 O1- ATOM 0 H ASP A 93 79.256 9.241 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 93 76.945 7.664 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.421 7.788 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.887 7.080 -9.590 1.00 0.00 H new ATOM 1487 N LEU A 94 79.781 5.978 -7.026 1.00 0.00 N ATOM 1488 CA LEU A 94 80.335 4.678 -6.670 1.00 0.00 C ATOM 1489 C LEU A 94 79.789 4.220 -5.329 1.00 0.00 C ATOM 1490 O LEU A 94 79.546 3.031 -5.115 1.00 0.00 O ATOM 1491 CB LEU A 94 81.860 4.767 -6.578 1.00 0.00 C ATOM 1492 CG LEU A 94 82.434 3.439 -6.083 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.974 2.308 -7.001 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.962 3.515 -6.085 1.00 0.00 C ATOM 0 H LEU A 94 80.477 6.705 -7.191 1.00 0.00 H new ATOM 0 HA LEU A 94 80.052 3.962 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.278 5.011 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.145 5.571 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 94 82.081 3.245 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.384 1.362 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.885 2.256 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.324 2.498 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.374 2.569 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.315 3.710 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.287 4.320 -5.426 1.00 0.00 H new ATOM 1506 N ILE A 95 79.616 5.171 -4.424 1.00 0.00 N ATOM 1507 CA ILE A 95 79.119 4.858 -3.097 1.00 0.00 C ATOM 1508 C ILE A 95 77.624 4.584 -3.141 1.00 0.00 C ATOM 1509 O ILE A 95 77.107 3.787 -2.359 1.00 0.00 O ATOM 1510 CB ILE A 95 79.444 6.009 -2.136 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.924 5.891 -1.724 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.547 5.928 -0.890 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.558 7.278 -1.564 1.00 0.00 C ATOM 0 H ILE A 95 79.811 6.159 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 95 79.611 3.956 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 95 79.264 6.965 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.002 5.340 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.471 5.321 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.787 6.750 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.501 5.997 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.716 4.979 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.603 7.169 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.499 7.816 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.023 7.836 -0.795 1.00 0.00 H new ATOM 1525 N ALA A 96 76.937 5.226 -4.076 1.00 0.00 N ATOM 1526 CA ALA A 96 75.508 5.012 -4.221 1.00 0.00 C ATOM 1527 C ALA A 96 75.252 3.552 -4.573 1.00 0.00 C ATOM 1528 O ALA A 96 74.258 2.958 -4.150 1.00 0.00 O ATOM 1529 CB ALA A 96 74.952 5.919 -5.319 1.00 0.00 C ATOM 0 H ALA A 96 77.341 5.890 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 96 75.008 5.253 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.880 5.752 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.133 6.961 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.446 5.692 -6.264 1.00 0.00 H new ATOM 1535 N TYR A 97 76.176 2.974 -5.339 1.00 0.00 N ATOM 1536 CA TYR A 97 76.059 1.578 -5.734 1.00 0.00 C ATOM 1537 C TYR A 97 76.467 0.672 -4.576 1.00 0.00 C ATOM 1538 O TYR A 97 75.790 -0.307 -4.281 1.00 0.00 O ATOM 1539 CB TYR A 97 76.944 1.289 -6.951 1.00 0.00 C ATOM 1540 CG TYR A 97 77.005 -0.205 -7.189 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.959 -0.853 -7.857 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.106 -0.941 -6.734 1.00 0.00 C ATOM 1543 CE1 TYR A 97 76.014 -2.236 -8.070 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.161 -2.324 -6.948 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.115 -2.971 -7.615 1.00 0.00 C ATOM 1546 OH TYR A 97 77.169 -4.333 -7.825 1.00 0.00 O ATOM 0 H TYR A 97 77.006 3.449 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 97 75.020 1.380 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.545 1.792 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.947 1.683 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.109 -0.286 -8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.913 -0.442 -6.218 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.207 -2.736 -8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.011 -2.891 -6.598 1.00 0.00 H new ATOM 0 HH TYR A 97 78.095 -4.601 -8.000 1.00 0.00 H new ATOM 1556 N LEU A 98 77.580 1.005 -3.923 1.00 0.00 N ATOM 1557 CA LEU A 98 78.055 0.211 -2.798 1.00 0.00 C ATOM 1558 C LEU A 98 76.966 0.100 -1.731 1.00 0.00 C ATOM 1559 O LEU A 98 76.958 -0.836 -0.933 1.00 0.00 O ATOM 1560 CB LEU A 98 79.313 0.853 -2.191 1.00 0.00 C ATOM 1561 CG LEU A 98 80.556 0.444 -3.002 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.673 1.478 -2.834 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.065 -0.905 -2.500 1.00 0.00 C ATOM 0 H LEU A 98 78.162 1.811 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 98 78.302 -0.788 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.212 1.938 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.426 0.540 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 98 80.278 0.382 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.543 1.171 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.326 2.449 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.947 1.550 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.945 -1.198 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.328 -0.825 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.286 -1.657 -2.624 1.00 0.00 H new ATOM 1575 N LYS A 99 76.047 1.065 -1.725 1.00 0.00 N ATOM 1576 CA LYS A 99 74.959 1.067 -0.750 1.00 0.00 C ATOM 1577 C LYS A 99 73.860 0.093 -1.165 1.00 0.00 C ATOM 1578 O LYS A 99 73.483 -0.794 -0.399 1.00 0.00 O ATOM 1579 CB LYS A 99 74.371 2.477 -0.622 1.00 0.00 C ATOM 1580 CG LYS A 99 75.308 3.347 0.219 1.00 0.00 C ATOM 1581 CD LYS A 99 74.771 4.781 0.270 1.00 0.00 C ATOM 1582 CE LYS A 99 73.504 4.835 1.130 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.279 6.235 1.592 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.034 1.848 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 99 75.363 0.752 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.237 2.918 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.386 2.431 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.389 2.942 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.310 3.338 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.529 5.448 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.551 5.132 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.646 4.488 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.604 4.169 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.419 6.274 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 74.095 6.550 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.166 6.859 0.768 1.00 0.00 H new ATOM 1597 N LYS A 100 73.348 0.266 -2.378 1.00 0.00 N ATOM 1598 CA LYS A 100 72.290 -0.606 -2.879 1.00 0.00 C ATOM 1599 C LYS A 100 72.851 -1.975 -3.246 1.00 0.00 C ATOM 1600 O LYS A 100 72.106 -2.942 -3.400 1.00 0.00 O ATOM 1601 CB LYS A 100 71.634 0.027 -4.108 1.00 0.00 C ATOM 1602 CG LYS A 100 71.174 1.446 -3.769 1.00 0.00 C ATOM 1603 CD LYS A 100 70.314 2.002 -4.912 1.00 0.00 C ATOM 1604 CE LYS A 100 68.848 1.619 -4.694 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.243 2.531 -3.682 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.644 0.994 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 100 71.545 -0.733 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.340 0.051 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.784 -0.575 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.602 1.441 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 100 72.039 2.089 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.413 3.087 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.664 1.609 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 100 68.300 1.686 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.777 0.585 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.210 2.410 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.620 2.304 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.476 3.516 -3.920 1.00 0.00 H new ATOM 1619 N ALA A 101 74.170 -2.046 -3.382 1.00 0.00 N ATOM 1620 CA ALA A 101 74.832 -3.299 -3.729 1.00 0.00 C ATOM 1621 C ALA A 101 75.120 -4.113 -2.474 1.00 0.00 C ATOM 1622 O ALA A 101 75.130 -5.344 -2.508 1.00 0.00 O ATOM 1623 CB ALA A 101 76.142 -3.013 -4.464 1.00 0.00 C ATOM 0 H ALA A 101 74.801 -1.254 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 101 74.170 -3.871 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.629 -3.954 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.933 -2.454 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.799 -2.427 -3.822 1.00 0.00 H new ATOM 1629 N THR A 102 75.355 -3.415 -1.367 1.00 0.00 N ATOM 1630 CA THR A 102 75.643 -4.080 -0.101 1.00 0.00 C ATOM 1631 C THR A 102 74.354 -4.326 0.667 1.00 0.00 C ATOM 1632 O THR A 102 74.357 -4.931 1.739 1.00 0.00 O ATOM 1633 CB THR A 102 76.584 -3.215 0.736 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.014 -1.924 0.901 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.934 -3.095 0.027 1.00 0.00 C ATOM 0 H THR A 102 75.352 -2.396 -1.321 1.00 0.00 H new ATOM 0 HA THR A 102 76.121 -5.038 -0.307 1.00 0.00 H new ATOM 0 HB THR A 102 76.731 -3.675 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.208 -1.377 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.605 -2.478 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.368 -4.087 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.792 -2.635 -0.951 1.00 0.00 H new ATOM 1643 N ASN A 103 73.251 -3.845 0.104 1.00 0.00 N ATOM 1644 CA ASN A 103 71.945 -4.006 0.727 1.00 0.00 C ATOM 1645 C ASN A 103 71.208 -5.193 0.113 1.00 0.00 C ATOM 1646 O ASN A 103 70.323 -5.778 0.737 1.00 0.00 O ATOM 1647 CB ASN A 103 71.124 -2.732 0.524 1.00 0.00 C ATOM 1648 CG ASN A 103 71.569 -1.660 1.510 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.770 -0.814 1.912 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.802 -1.645 1.929 1.00 0.00 N ATOM 0 H ASN A 103 73.237 -3.341 -0.782 1.00 0.00 H new ATOM 0 HA ASN A 103 72.081 -4.190 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.245 -2.371 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.064 -2.947 0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.107 -0.932 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.463 -2.347 1.595 1.00 0.00 H new ATOM 1657 N GLU A 104 71.584 -5.541 -1.115 1.00 0.00 N ATOM 1658 CA GLU A 104 70.958 -6.661 -1.816 1.00 0.00 C ATOM 1659 C GLU A 104 72.013 -7.674 -2.251 1.00 0.00 C ATOM 1660 O GLU A 104 73.183 -7.329 -2.228 1.00 0.00 O ATOM 1661 CB GLU A 104 70.197 -6.148 -3.043 1.00 0.00 C ATOM 1662 CG GLU A 104 71.188 -5.702 -4.125 1.00 0.00 C ATOM 1663 CD GLU A 104 71.605 -6.895 -4.980 1.00 0.00 C ATOM 1664 OE1 GLU A 104 70.803 -7.326 -5.793 1.00 0.00 O ATOM 1665 OE2 GLU A 104 72.719 -7.361 -4.809 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 71.634 -8.780 -2.601 1.00 0.00 O ATOM 0 H GLU A 104 72.316 -5.067 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 104 70.260 -7.151 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.548 -6.932 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.554 -5.314 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.732 -4.937 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 104 72.066 -5.253 -3.661 1.00 0.00 H new