USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=33 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 -91:sc= 0.739 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -1.47 F(o=-3.2,f=-0.74) USER MOD Set 2.1: A 67 TYR OH : rot -148:sc= 0.466 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 ASN : amide:sc= -3.53! C(o=-8.4!,f=-20!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -4.9! C(o=-8.4!,f=-14!) USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= 1.28 (180deg=-0.406) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0358 (180deg=-0.335) USER MOD Single : A 12 GLN : amide:sc= -2.01! C(o=-2!,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= 0.0259 (180deg=-0.359) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.041 USER MOD Single : A 16 GLN : amide:sc= 2.33 K(o=2.3,f=0.19) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0681 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -2.29 F(o=-3.3!,f=-2.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.468 K(o=0.47,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc=-0.00227 (180deg=-0.195) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.907 USER MOD Single : A 42 GLN :FLIP amide:sc= 0.484 F(o=-3!,f=0.48) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.659 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.0126 USER MOD Single : A 52 ASN : amide:sc= -0.74 K(o=-0.74,f=-7.1!) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0763) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.47! C(o=-9.8!,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.92! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.416 F(o=-2.1,f=-0.42) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= -3.21! (180deg=-5.21!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.136) USER MOD Single : A 80 MET CE :methyl 145:sc=-0.00702 (180deg=-0.919) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc=-0.00513 (180deg=-0.157) 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 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= 0.409 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -0.151 (180deg=-0.936) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.552 8.371 -8.747 1.00 0.00 N ATOM 11 CA ASP A 2 74.054 7.614 -9.892 1.00 0.00 C ATOM 12 C ASP A 2 74.410 6.140 -9.763 1.00 0.00 C ATOM 13 O ASP A 2 75.444 5.695 -10.260 1.00 0.00 O ATOM 14 CB ASP A 2 74.651 8.169 -11.186 1.00 0.00 C ATOM 15 CG ASP A 2 74.500 9.686 -11.222 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.489 10.174 -10.742 1.00 0.00 O ATOM 17 OD2 ASP A 2 75.397 10.340 -11.729 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.969 7.712 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.705 7.899 -11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.151 7.725 -12.047 1.00 0.00 H new ATOM 22 N VAL A 3 73.543 5.387 -9.099 1.00 0.00 N ATOM 23 CA VAL A 3 73.764 3.961 -8.916 1.00 0.00 C ATOM 24 C VAL A 3 74.133 3.308 -10.243 1.00 0.00 C ATOM 25 O VAL A 3 74.680 2.205 -10.273 1.00 0.00 O ATOM 26 CB VAL A 3 72.496 3.312 -8.356 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.309 3.645 -9.262 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.678 1.794 -8.298 1.00 0.00 C ATOM 0 H VAL A 3 72.683 5.740 -8.680 1.00 0.00 H new ATOM 0 HA VAL A 3 74.586 3.819 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 3 72.309 3.694 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.406 3.183 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.175 4.726 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.499 3.264 -10.265 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.774 1.334 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.867 1.412 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.523 1.553 -7.653 1.00 0.00 H new ATOM 38 N GLU A 4 73.825 3.995 -11.340 1.00 0.00 N ATOM 39 CA GLU A 4 74.126 3.465 -12.666 1.00 0.00 C ATOM 40 C GLU A 4 75.618 3.563 -12.963 1.00 0.00 C ATOM 41 O GLU A 4 76.278 2.552 -13.216 1.00 0.00 O ATOM 42 CB GLU A 4 73.340 4.237 -13.727 1.00 0.00 C ATOM 43 CG GLU A 4 71.856 3.878 -13.625 1.00 0.00 C ATOM 44 CD GLU A 4 71.617 2.487 -14.201 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.655 2.353 -15.413 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 71.398 1.575 -13.420 1.00 0.00 O ATOM 0 H GLU A 4 73.373 4.909 -11.338 1.00 0.00 H new ATOM 0 HA GLU A 4 73.835 2.415 -12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.476 5.309 -13.587 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.716 3.995 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.536 3.909 -12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.258 4.612 -14.165 1.00 0.00 H new ATOM 53 N LYS A 5 76.150 4.778 -12.924 1.00 0.00 N ATOM 54 CA LYS A 5 77.569 4.979 -13.185 1.00 0.00 C ATOM 55 C LYS A 5 78.388 4.469 -12.010 1.00 0.00 C ATOM 56 O LYS A 5 79.578 4.191 -12.144 1.00 0.00 O ATOM 57 CB LYS A 5 77.860 6.465 -13.422 1.00 0.00 C ATOM 58 CG LYS A 5 77.493 6.838 -14.863 1.00 0.00 C ATOM 59 CD LYS A 5 77.364 8.362 -14.989 1.00 0.00 C ATOM 60 CE LYS A 5 75.931 8.790 -14.658 1.00 0.00 C ATOM 61 NZ LYS A 5 75.897 10.258 -14.405 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.628 5.629 -12.717 1.00 0.00 H new ATOM 0 HA LYS A 5 77.845 4.422 -14.080 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.289 7.074 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.914 6.673 -13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.256 6.471 -15.549 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.555 6.360 -15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.065 8.853 -14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.623 8.676 -16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.265 8.537 -15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.572 8.251 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.039 10.664 -14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 75.891 10.434 -13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.737 10.703 -14.827 1.00 0.00 H new ATOM 75 N GLY A 6 77.734 4.324 -10.865 1.00 0.00 N ATOM 76 CA GLY A 6 78.411 3.818 -9.683 1.00 0.00 C ATOM 77 C GLY A 6 78.690 2.337 -9.866 1.00 0.00 C ATOM 78 O GLY A 6 79.731 1.824 -9.451 1.00 0.00 O ATOM 0 H GLY A 6 76.748 4.547 -10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.343 4.359 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.794 3.978 -8.799 1.00 0.00 H new ATOM 82 N LYS A 7 77.749 1.661 -10.515 1.00 0.00 N ATOM 83 CA LYS A 7 77.884 0.241 -10.785 1.00 0.00 C ATOM 84 C LYS A 7 79.001 0.011 -11.798 1.00 0.00 C ATOM 85 O LYS A 7 79.800 -0.914 -11.656 1.00 0.00 O ATOM 86 CB LYS A 7 76.564 -0.307 -11.334 1.00 0.00 C ATOM 87 CG LYS A 7 76.701 -1.807 -11.633 1.00 0.00 C ATOM 88 CD LYS A 7 76.874 -2.023 -13.141 1.00 0.00 C ATOM 89 CE LYS A 7 76.893 -3.522 -13.446 1.00 0.00 C ATOM 90 NZ LYS A 7 75.494 -4.015 -13.592 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.885 2.077 -10.863 1.00 0.00 H new ATOM 0 HA LYS A 7 78.131 -0.279 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.764 -0.144 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.288 0.229 -12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.557 -2.217 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.818 -2.340 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.060 -1.542 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.801 -1.561 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.454 -3.711 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.399 -4.061 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.505 -5.034 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.973 -3.847 -12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.027 -3.508 -14.371 1.00 0.00 H new ATOM 104 N LYS A 8 79.053 0.865 -12.818 1.00 0.00 N ATOM 105 CA LYS A 8 80.081 0.748 -13.847 1.00 0.00 C ATOM 106 C LYS A 8 81.474 0.893 -13.236 1.00 0.00 C ATOM 107 O LYS A 8 82.374 0.093 -13.507 1.00 0.00 O ATOM 108 CB LYS A 8 79.872 1.828 -14.913 1.00 0.00 C ATOM 109 CG LYS A 8 81.018 1.779 -15.940 1.00 0.00 C ATOM 110 CD LYS A 8 82.038 2.888 -15.646 1.00 0.00 C ATOM 111 CE LYS A 8 81.552 4.208 -16.251 1.00 0.00 C ATOM 112 NZ LYS A 8 81.709 4.163 -17.732 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.402 1.638 -12.953 1.00 0.00 H new ATOM 0 HA LYS A 8 80.002 -0.238 -14.305 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.916 1.676 -15.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.834 2.811 -14.444 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.507 0.806 -15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.619 1.899 -16.947 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.171 2.997 -14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.010 2.622 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.507 4.377 -15.990 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.122 5.041 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.761 5.132 -18.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.582 3.652 -17.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 80.894 3.674 -18.153 1.00 0.00 H new ATOM 126 N ILE A 9 81.645 1.919 -12.410 1.00 0.00 N ATOM 127 CA ILE A 9 82.929 2.165 -11.767 1.00 0.00 C ATOM 128 C ILE A 9 83.264 1.048 -10.786 1.00 0.00 C ATOM 129 O ILE A 9 84.425 0.838 -10.445 1.00 0.00 O ATOM 130 CB ILE A 9 82.888 3.498 -11.019 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.609 4.634 -12.008 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.233 3.741 -10.335 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.159 5.880 -11.241 1.00 0.00 C ATOM 0 H ILE A 9 80.915 2.590 -12.171 1.00 0.00 H new ATOM 0 HA ILE A 9 83.698 2.199 -12.539 1.00 0.00 H new ATOM 0 HB ILE A 9 82.097 3.467 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.506 4.855 -12.587 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.838 4.332 -12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.204 4.691 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.433 2.935 -9.629 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.023 3.770 -11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.960 6.688 -11.945 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.251 5.655 -10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.945 6.185 -10.550 1.00 0.00 H new ATOM 145 N PHE A 10 82.239 0.348 -10.322 1.00 0.00 N ATOM 146 CA PHE A 10 82.443 -0.732 -9.362 1.00 0.00 C ATOM 147 C PHE A 10 82.904 -2.018 -10.052 1.00 0.00 C ATOM 148 O PHE A 10 83.902 -2.616 -9.654 1.00 0.00 O ATOM 149 CB PHE A 10 81.139 -1.001 -8.601 1.00 0.00 C ATOM 150 CG PHE A 10 81.136 -2.426 -8.100 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.634 -3.452 -8.911 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.651 -2.723 -6.836 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.650 -4.774 -8.457 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.665 -4.046 -6.379 1.00 0.00 C ATOM 155 CZ PHE A 10 81.166 -5.073 -7.191 1.00 0.00 C ATOM 0 H PHE A 10 81.267 0.504 -10.590 1.00 0.00 H new ATOM 0 HA PHE A 10 83.223 -0.420 -8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.044 -0.309 -7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.282 -0.831 -9.253 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.234 -3.222 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.038 -1.932 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.264 -5.565 -9.083 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.060 -4.275 -5.400 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.180 -6.094 -6.840 1.00 0.00 H new ATOM 165 N VAL A 11 82.164 -2.448 -11.069 1.00 0.00 N ATOM 166 CA VAL A 11 82.500 -3.681 -11.781 1.00 0.00 C ATOM 167 C VAL A 11 83.927 -3.648 -12.302 1.00 0.00 C ATOM 168 O VAL A 11 84.577 -4.686 -12.425 1.00 0.00 O ATOM 169 CB VAL A 11 81.550 -3.893 -12.960 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.132 -4.115 -12.445 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.575 -2.660 -13.861 1.00 0.00 C ATOM 0 H VAL A 11 81.335 -1.968 -11.418 1.00 0.00 H new ATOM 0 HA VAL A 11 82.400 -4.502 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 11 81.869 -4.767 -13.527 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.458 -4.266 -13.288 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.112 -4.995 -11.803 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.811 -3.243 -11.875 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.898 -2.810 -14.702 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.258 -1.787 -13.291 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.587 -2.502 -14.234 1.00 0.00 H new ATOM 181 N GLN A 12 84.399 -2.460 -12.641 1.00 0.00 N ATOM 182 CA GLN A 12 85.745 -2.326 -13.186 1.00 0.00 C ATOM 183 C GLN A 12 86.780 -1.971 -12.118 1.00 0.00 C ATOM 184 O GLN A 12 87.970 -2.233 -12.300 1.00 0.00 O ATOM 185 CB GLN A 12 85.750 -1.248 -14.268 1.00 0.00 C ATOM 186 CG GLN A 12 85.510 0.123 -13.637 1.00 0.00 C ATOM 187 CD GLN A 12 85.294 1.155 -14.735 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.992 2.315 -14.454 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.436 0.798 -15.983 1.00 0.00 N ATOM 0 H GLN A 12 83.882 -1.585 -12.552 1.00 0.00 H new ATOM 0 HA GLN A 12 86.023 -3.294 -13.602 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.704 -1.254 -14.795 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.977 -1.458 -15.007 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.640 0.086 -12.981 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.363 0.406 -13.020 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.686 -0.164 -16.213 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.297 1.481 -16.728 1.00 0.00 H new ATOM 198 N LYS A 13 86.347 -1.341 -11.028 1.00 0.00 N ATOM 199 CA LYS A 13 87.292 -0.927 -9.985 1.00 0.00 C ATOM 200 C LYS A 13 87.313 -1.849 -8.758 1.00 0.00 C ATOM 201 O LYS A 13 88.351 -2.425 -8.437 1.00 0.00 O ATOM 202 CB LYS A 13 86.972 0.507 -9.543 1.00 0.00 C ATOM 203 CG LYS A 13 88.222 1.158 -8.935 1.00 0.00 C ATOM 204 CD LYS A 13 89.095 1.761 -10.047 1.00 0.00 C ATOM 205 CE LYS A 13 88.647 3.196 -10.334 1.00 0.00 C ATOM 206 NZ LYS A 13 89.066 4.082 -9.211 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.371 -1.109 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 13 88.285 -0.988 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.626 1.091 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.163 0.500 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.930 1.935 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.792 0.417 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.143 1.750 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 13 89.017 1.158 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.085 3.545 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.564 3.233 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.306 5.023 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.287 4.168 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.898 3.674 -8.739 1.00 0.00 H new ATOM 220 N CYS A 14 86.195 -1.937 -8.035 1.00 0.00 N ATOM 221 CA CYS A 14 86.155 -2.739 -6.802 1.00 0.00 C ATOM 222 C CYS A 14 85.877 -4.225 -7.035 1.00 0.00 C ATOM 223 O CYS A 14 86.420 -5.069 -6.322 1.00 0.00 O ATOM 224 CB CYS A 14 85.100 -2.169 -5.847 1.00 0.00 C ATOM 225 SG CYS A 14 85.035 -0.360 -6.001 1.00 0.00 S ATOM 0 H CYS A 14 85.318 -1.474 -8.272 1.00 0.00 H new ATOM 0 HA CYS A 14 87.152 -2.674 -6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.123 -2.597 -6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.339 -2.446 -4.820 1.00 0.00 H new ATOM 0 HG CYS A 14 84.136 0.113 -5.189 1.00 0.00 H new ATOM 230 N ALA A 15 85.032 -4.554 -7.997 1.00 0.00 N ATOM 231 CA ALA A 15 84.712 -5.956 -8.244 1.00 0.00 C ATOM 232 C ALA A 15 85.983 -6.799 -8.310 1.00 0.00 C ATOM 233 O ALA A 15 85.963 -7.995 -8.018 1.00 0.00 O ATOM 234 CB ALA A 15 83.936 -6.095 -9.554 1.00 0.00 C ATOM 0 H ALA A 15 84.562 -3.888 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 15 84.097 -6.315 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.702 -7.145 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.010 -5.523 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.541 -5.716 -10.377 1.00 0.00 H new ATOM 240 N GLN A 16 87.086 -6.169 -8.694 1.00 0.00 N ATOM 241 CA GLN A 16 88.360 -6.871 -8.798 1.00 0.00 C ATOM 242 C GLN A 16 88.633 -7.714 -7.550 1.00 0.00 C ATOM 243 O GLN A 16 88.858 -8.919 -7.652 1.00 0.00 O ATOM 244 CB GLN A 16 89.495 -5.864 -9.000 1.00 0.00 C ATOM 245 CG GLN A 16 89.567 -5.459 -10.474 1.00 0.00 C ATOM 246 CD GLN A 16 90.573 -4.328 -10.658 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.496 -4.443 -11.464 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.449 -3.236 -9.954 1.00 0.00 N ATOM 0 H GLN A 16 87.125 -5.179 -8.937 1.00 0.00 H new ATOM 0 HA GLN A 16 88.307 -7.540 -9.657 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.329 -4.984 -8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.443 -6.301 -8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.857 -6.317 -11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.584 -5.141 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.683 -3.144 -9.287 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.118 -2.475 -10.071 1.00 0.00 H new ATOM 257 N CYS A 17 88.624 -7.077 -6.378 1.00 0.00 N ATOM 258 CA CYS A 17 88.886 -7.797 -5.129 1.00 0.00 C ATOM 259 C CYS A 17 87.794 -7.522 -4.086 1.00 0.00 C ATOM 260 O CYS A 17 88.092 -7.144 -2.953 1.00 0.00 O ATOM 261 CB CYS A 17 90.260 -7.392 -4.563 1.00 0.00 C ATOM 262 SG CYS A 17 91.284 -6.669 -5.876 1.00 0.00 S ATOM 0 H CYS A 17 88.441 -6.080 -6.266 1.00 0.00 H new ATOM 0 HA CYS A 17 88.884 -8.864 -5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.132 -6.673 -3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.759 -8.263 -4.139 1.00 0.00 H new ATOM 0 HG CYS A 17 92.440 -6.329 -5.387 1.00 0.00 H new ATOM 267 N HIS A 18 86.535 -7.726 -4.466 1.00 0.00 N ATOM 268 CA HIS A 18 85.425 -7.504 -3.534 1.00 0.00 C ATOM 269 C HIS A 18 84.177 -8.266 -3.975 1.00 0.00 C ATOM 270 O HIS A 18 84.204 -9.013 -4.953 1.00 0.00 O ATOM 271 CB HIS A 18 85.104 -6.009 -3.434 1.00 0.00 C ATOM 272 CG HIS A 18 86.064 -5.342 -2.486 1.00 0.00 C ATOM 273 ND1 HIS A 18 87.232 -4.660 -2.701 1.00 0.00 N flip ATOM 274 CD2 HIS A 18 85.859 -5.315 -1.116 1.00 0.00 C flip ATOM 275 CE1 HIS A 18 87.750 -4.211 -1.488 1.00 0.00 C flip ATOM 276 NE2 HIS A 18 86.883 -4.635 -0.565 1.00 0.00 N flip ATOM 0 H HIS A 18 86.257 -8.039 -5.396 1.00 0.00 H new ATOM 0 HA HIS A 18 85.732 -7.874 -2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.172 -5.547 -4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.080 -5.870 -3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 18 85.029 -5.759 -0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.655 -3.644 -1.329 1.00 0.00 H new ATOM 0 HE2 HIS A 18 86.984 -4.465 0.436 1.00 0.00 H new ATOM 284 N THR A 19 83.085 -8.072 -3.236 1.00 0.00 N ATOM 285 CA THR A 19 81.823 -8.745 -3.541 1.00 0.00 C ATOM 286 C THR A 19 80.645 -7.783 -3.360 1.00 0.00 C ATOM 287 O THR A 19 79.698 -7.790 -4.147 1.00 0.00 O ATOM 288 CB THR A 19 81.656 -9.956 -2.613 1.00 0.00 C ATOM 289 OG1 THR A 19 82.892 -10.221 -1.965 1.00 0.00 O ATOM 290 CG2 THR A 19 81.238 -11.182 -3.424 1.00 0.00 C ATOM 0 H THR A 19 83.049 -7.456 -2.424 1.00 0.00 H new ATOM 0 HA THR A 19 81.840 -9.078 -4.579 1.00 0.00 H new ATOM 0 HB THR A 19 80.887 -9.738 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.790 -10.993 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.122 -12.037 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.291 -10.981 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.003 -11.404 -4.169 1.00 0.00 H new ATOM 298 N VAL A 20 80.720 -6.961 -2.319 1.00 0.00 N ATOM 299 CA VAL A 20 79.670 -5.987 -2.024 1.00 0.00 C ATOM 300 C VAL A 20 78.277 -6.579 -2.220 1.00 0.00 C ATOM 301 O VAL A 20 77.349 -5.870 -2.603 1.00 0.00 O ATOM 302 CB VAL A 20 79.829 -4.745 -2.907 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.244 -4.185 -2.753 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.590 -5.110 -4.371 1.00 0.00 C ATOM 0 H VAL A 20 81.500 -6.948 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 20 79.775 -5.706 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 20 79.100 -3.996 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.356 -3.302 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.417 -3.914 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.969 -4.940 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.705 -4.221 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.313 -5.865 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.581 -5.505 -4.487 1.00 0.00 H new ATOM 314 N GLU A 21 78.129 -7.873 -1.950 1.00 0.00 N ATOM 315 CA GLU A 21 76.829 -8.527 -2.100 1.00 0.00 C ATOM 316 C GLU A 21 76.517 -9.385 -0.877 1.00 0.00 C ATOM 317 O GLU A 21 77.233 -10.339 -0.573 1.00 0.00 O ATOM 318 CB GLU A 21 76.811 -9.385 -3.371 1.00 0.00 C ATOM 319 CG GLU A 21 77.570 -10.693 -3.136 1.00 0.00 C ATOM 320 CD GLU A 21 77.950 -11.322 -4.473 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.587 -10.762 -5.494 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.598 -12.356 -4.456 1.00 0.00 O ATOM 0 H GLU A 21 78.881 -8.484 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 21 76.062 -7.757 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.782 -9.600 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.265 -8.836 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.467 -10.502 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.952 -11.384 -2.562 1.00 0.00 H new ATOM 329 N LYS A 22 75.446 -9.030 -0.175 1.00 0.00 N ATOM 330 CA LYS A 22 75.046 -9.768 1.018 1.00 0.00 C ATOM 331 C LYS A 22 74.842 -11.244 0.697 1.00 0.00 C ATOM 332 O LYS A 22 74.358 -11.595 -0.379 1.00 0.00 O ATOM 333 CB LYS A 22 73.750 -9.181 1.584 1.00 0.00 C ATOM 334 CG LYS A 22 73.429 -9.837 2.933 1.00 0.00 C ATOM 335 CD LYS A 22 72.586 -8.881 3.778 1.00 0.00 C ATOM 336 CE LYS A 22 72.052 -9.619 5.006 1.00 0.00 C ATOM 337 NZ LYS A 22 71.542 -8.631 5.998 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.843 -8.241 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 22 75.840 -9.679 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.852 -8.103 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.930 -9.345 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.890 -10.772 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.352 -10.085 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 22 73.187 -8.026 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 22 71.758 -8.491 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.254 -10.302 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 22 72.842 -10.223 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.179 -9.133 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 72.314 -7.996 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 70.776 -8.073 5.570 1.00 0.00 H new ATOM 351 N GLY A 23 75.216 -12.103 1.638 1.00 0.00 N ATOM 352 CA GLY A 23 75.071 -13.541 1.449 1.00 0.00 C ATOM 353 C GLY A 23 75.989 -14.042 0.341 1.00 0.00 C ATOM 354 O GLY A 23 75.759 -15.105 -0.236 1.00 0.00 O ATOM 0 H GLY A 23 75.620 -11.831 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.303 -14.059 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.036 -13.776 1.202 1.00 0.00 H new ATOM 358 N GLY A 24 77.032 -13.272 0.050 1.00 0.00 N ATOM 359 CA GLY A 24 77.981 -13.649 -0.991 1.00 0.00 C ATOM 360 C GLY A 24 79.138 -14.449 -0.405 1.00 0.00 C ATOM 361 O GLY A 24 78.946 -15.284 0.478 1.00 0.00 O ATOM 0 H GLY A 24 77.241 -12.389 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.475 -14.240 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.364 -12.754 -1.482 1.00 0.00 H new ATOM 365 N LYS A 25 80.339 -14.185 -0.906 1.00 0.00 N ATOM 366 CA LYS A 25 81.528 -14.883 -0.429 1.00 0.00 C ATOM 367 C LYS A 25 82.764 -14.002 -0.589 1.00 0.00 C ATOM 368 O LYS A 25 83.184 -13.702 -1.706 1.00 0.00 O ATOM 369 CB LYS A 25 81.717 -16.189 -1.209 1.00 0.00 C ATOM 370 CG LYS A 25 81.810 -15.891 -2.711 1.00 0.00 C ATOM 371 CD LYS A 25 81.397 -17.133 -3.507 1.00 0.00 C ATOM 372 CE LYS A 25 81.469 -16.829 -5.005 1.00 0.00 C ATOM 373 NZ LYS A 25 80.760 -17.899 -5.764 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.516 -13.497 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 25 81.395 -15.112 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.622 -16.696 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 25 80.883 -16.863 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.164 -15.051 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.828 -15.601 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.053 -17.969 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.385 -17.432 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.016 -15.860 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.509 -16.769 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.809 -17.693 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.212 -18.816 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.764 -17.935 -5.465 1.00 0.00 H new ATOM 387 N HIS A 26 83.340 -13.589 0.536 1.00 0.00 N ATOM 388 CA HIS A 26 84.524 -12.741 0.506 1.00 0.00 C ATOM 389 C HIS A 26 85.625 -13.384 -0.332 1.00 0.00 C ATOM 390 O HIS A 26 85.982 -14.543 -0.122 1.00 0.00 O ATOM 391 CB HIS A 26 85.032 -12.501 1.931 1.00 0.00 C ATOM 392 CG HIS A 26 84.884 -13.763 2.737 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.316 -14.995 2.270 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.354 -13.999 3.981 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.040 -15.908 3.220 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.454 -15.354 4.284 1.00 0.00 N ATOM 0 H HIS A 26 83.009 -13.826 1.471 1.00 0.00 H new ATOM 0 HA HIS A 26 84.253 -11.787 0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.077 -12.192 1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.470 -11.691 2.397 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.762 -15.176 1.371 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.925 -13.247 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.265 -16.961 3.132 1.00 0.00 H new ATOM 405 N LYS A 27 86.159 -12.621 -1.280 1.00 0.00 N ATOM 406 CA LYS A 27 87.223 -13.119 -2.147 1.00 0.00 C ATOM 407 C LYS A 27 88.304 -12.057 -2.325 1.00 0.00 C ATOM 408 O LYS A 27 88.012 -10.912 -2.668 1.00 0.00 O ATOM 409 CB LYS A 27 86.647 -13.501 -3.515 1.00 0.00 C ATOM 410 CG LYS A 27 85.627 -12.444 -3.958 1.00 0.00 C ATOM 411 CD LYS A 27 85.487 -12.452 -5.486 1.00 0.00 C ATOM 412 CE LYS A 27 84.612 -13.631 -5.922 1.00 0.00 C ATOM 413 NZ LYS A 27 83.177 -13.287 -5.714 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.875 -11.660 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 27 87.666 -14.000 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.449 -13.578 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.171 -14.480 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 27 84.660 -12.644 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 85.944 -11.458 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 27 85.045 -11.515 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.471 -12.526 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.793 -13.864 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.871 -14.521 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 82.579 -13.991 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 82.965 -13.285 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 82.985 -12.345 -6.110 1.00 0.00 H new ATOM 427 N THR A 28 89.552 -12.446 -2.088 1.00 0.00 N ATOM 428 CA THR A 28 90.668 -11.516 -2.225 1.00 0.00 C ATOM 429 C THR A 28 90.325 -10.175 -1.582 1.00 0.00 C ATOM 430 O THR A 28 90.844 -9.132 -1.981 1.00 0.00 O ATOM 431 CB THR A 28 90.993 -11.312 -3.708 1.00 0.00 C ATOM 432 OG1 THR A 28 90.816 -12.541 -4.400 1.00 0.00 O ATOM 433 CG2 THR A 28 92.441 -10.843 -3.863 1.00 0.00 C ATOM 0 H THR A 28 89.815 -13.389 -1.803 1.00 0.00 H new ATOM 0 HA THR A 28 91.538 -11.935 -1.718 1.00 0.00 H new ATOM 0 HB THR A 28 90.326 -10.556 -4.123 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.021 -12.414 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.666 -10.700 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.577 -9.901 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.113 -11.594 -3.448 1.00 0.00 H new ATOM 441 N GLY A 29 89.448 -10.213 -0.585 1.00 0.00 N ATOM 442 CA GLY A 29 89.040 -8.996 0.109 1.00 0.00 C ATOM 443 C GLY A 29 87.815 -9.255 0.985 1.00 0.00 C ATOM 444 O GLY A 29 87.112 -10.248 0.804 1.00 0.00 O ATOM 0 H GLY A 29 89.008 -11.067 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.862 -8.630 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.814 -8.216 -0.618 1.00 0.00 H new ATOM 448 N PRO A 30 87.552 -8.381 1.923 1.00 0.00 N ATOM 449 CA PRO A 30 86.386 -8.516 2.846 1.00 0.00 C ATOM 450 C PRO A 30 85.063 -8.167 2.164 1.00 0.00 C ATOM 451 O PRO A 30 85.046 -7.605 1.069 1.00 0.00 O ATOM 452 CB PRO A 30 86.705 -7.521 3.964 1.00 0.00 C ATOM 453 CG PRO A 30 87.544 -6.468 3.315 1.00 0.00 C ATOM 454 CD PRO A 30 88.338 -7.169 2.210 1.00 0.00 C ATOM 0 HA PRO A 30 86.255 -9.539 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.794 -7.096 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.240 -8.004 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 30 86.921 -5.675 2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.213 -6.003 4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.436 -6.538 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.347 -7.416 2.539 1.00 0.00 H new ATOM 462 N ASN A 31 83.959 -8.502 2.827 1.00 0.00 N ATOM 463 CA ASN A 31 82.631 -8.221 2.287 1.00 0.00 C ATOM 464 C ASN A 31 82.108 -6.894 2.833 1.00 0.00 C ATOM 465 O ASN A 31 81.992 -6.717 4.044 1.00 0.00 O ATOM 466 CB ASN A 31 81.670 -9.348 2.669 1.00 0.00 C ATOM 467 CG ASN A 31 81.336 -9.273 4.156 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.496 -8.472 4.564 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.949 -10.063 4.994 1.00 0.00 N ATOM 0 H ASN A 31 83.957 -8.966 3.735 1.00 0.00 H new ATOM 0 HA ASN A 31 82.700 -8.154 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.756 -9.273 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.120 -10.314 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.732 -10.017 5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.645 -10.726 4.654 1.00 0.00 H new ATOM 476 N LEU A 32 81.798 -5.963 1.935 1.00 0.00 N ATOM 477 CA LEU A 32 81.297 -4.655 2.345 1.00 0.00 C ATOM 478 C LEU A 32 79.820 -4.725 2.736 1.00 0.00 C ATOM 479 O LEU A 32 79.082 -3.756 2.568 1.00 0.00 O ATOM 480 CB LEU A 32 81.466 -3.636 1.211 1.00 0.00 C ATOM 481 CG LEU A 32 82.830 -3.805 0.530 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.119 -2.579 -0.350 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.928 -3.937 1.590 1.00 0.00 C ATOM 0 H LEU A 32 81.884 -6.088 0.926 1.00 0.00 H new ATOM 0 HA LEU A 32 81.878 -4.340 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.669 -3.764 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.374 -2.625 1.607 1.00 0.00 H new ATOM 0 HG LEU A 32 82.813 -4.704 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.088 -2.699 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.343 -2.485 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.131 -1.682 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.894 -4.057 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.944 -3.041 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.728 -4.807 2.215 1.00 0.00 H new ATOM 495 N HIS A 33 79.395 -5.870 3.264 1.00 0.00 N ATOM 496 CA HIS A 33 78.003 -6.029 3.678 1.00 0.00 C ATOM 497 C HIS A 33 77.657 -5.002 4.751 1.00 0.00 C ATOM 498 O HIS A 33 78.451 -4.758 5.659 1.00 0.00 O ATOM 499 CB HIS A 33 77.771 -7.436 4.233 1.00 0.00 C ATOM 500 CG HIS A 33 78.079 -8.460 3.175 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.185 -9.811 3.466 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.303 -8.348 1.825 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.459 -10.453 2.317 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.542 -9.609 1.286 1.00 0.00 N ATOM 0 H HIS A 33 79.983 -6.690 3.414 1.00 0.00 H new ATOM 0 HA HIS A 33 77.365 -5.876 2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.403 -7.601 5.106 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.737 -7.541 4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.295 -7.423 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.595 -11.521 2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.738 -9.839 0.312 1.00 0.00 H new ATOM 513 N GLY A 34 76.474 -4.398 4.643 1.00 0.00 N ATOM 514 CA GLY A 34 76.049 -3.394 5.620 1.00 0.00 C ATOM 515 C GLY A 34 77.237 -2.552 6.074 1.00 0.00 C ATOM 516 O GLY A 34 77.274 -2.057 7.201 1.00 0.00 O ATOM 0 H GLY A 34 75.800 -4.582 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.287 -2.751 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.594 -3.885 6.480 1.00 0.00 H new ATOM 520 N LEU A 35 78.208 -2.406 5.181 1.00 0.00 N ATOM 521 CA LEU A 35 79.413 -1.636 5.467 1.00 0.00 C ATOM 522 C LEU A 35 79.076 -0.353 6.225 1.00 0.00 C ATOM 523 O LEU A 35 79.586 -0.107 7.317 1.00 0.00 O ATOM 524 CB LEU A 35 80.103 -1.298 4.137 1.00 0.00 C ATOM 525 CG LEU A 35 81.322 -0.391 4.366 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.555 -1.245 4.676 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.590 0.436 3.104 1.00 0.00 C ATOM 0 H LEU A 35 78.184 -2.814 4.246 1.00 0.00 H new ATOM 0 HA LEU A 35 80.078 -2.228 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.417 -2.217 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.396 -0.802 3.472 1.00 0.00 H new ATOM 0 HG LEU A 35 81.118 0.273 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.416 -0.596 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.372 -1.835 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.756 -1.912 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.455 1.079 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.788 -0.233 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.718 1.050 2.880 1.00 0.00 H new ATOM 539 N PHE A 36 78.227 0.463 5.630 1.00 0.00 N ATOM 540 CA PHE A 36 77.838 1.731 6.240 1.00 0.00 C ATOM 541 C PHE A 36 77.251 1.527 7.636 1.00 0.00 C ATOM 542 O PHE A 36 76.052 1.290 7.783 1.00 0.00 O ATOM 543 CB PHE A 36 76.813 2.439 5.346 1.00 0.00 C ATOM 544 CG PHE A 36 77.288 2.399 3.911 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.062 1.259 3.129 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.966 3.497 3.366 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.515 1.219 1.806 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.418 3.454 2.044 1.00 0.00 C ATOM 549 CZ PHE A 36 78.193 2.314 1.264 1.00 0.00 C ATOM 0 H PHE A 36 77.791 0.276 4.727 1.00 0.00 H new ATOM 0 HA PHE A 36 78.733 2.346 6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.841 1.953 5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.683 3.472 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.539 0.412 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.140 4.377 3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.340 0.340 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.941 4.301 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.543 2.281 0.243 1.00 0.00 H new ATOM 559 N GLY A 37 78.097 1.644 8.665 1.00 0.00 N ATOM 560 CA GLY A 37 77.628 1.493 10.044 1.00 0.00 C ATOM 561 C GLY A 37 78.622 0.734 10.925 1.00 0.00 C ATOM 562 O GLY A 37 78.649 0.930 12.140 1.00 0.00 O ATOM 0 H GLY A 37 79.094 1.840 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.448 2.479 10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.673 0.967 10.043 1.00 0.00 H new ATOM 566 N ARG A 38 79.423 -0.142 10.327 1.00 0.00 N ATOM 567 CA ARG A 38 80.388 -0.927 11.102 1.00 0.00 C ATOM 568 C ARG A 38 81.712 -0.178 11.271 1.00 0.00 C ATOM 569 O ARG A 38 82.039 0.717 10.492 1.00 0.00 O ATOM 570 CB ARG A 38 80.647 -2.272 10.410 1.00 0.00 C ATOM 571 CG ARG A 38 79.783 -3.375 11.042 1.00 0.00 C ATOM 572 CD ARG A 38 80.225 -4.748 10.516 1.00 0.00 C ATOM 573 NE ARG A 38 79.332 -5.191 9.445 1.00 0.00 N ATOM 574 CZ ARG A 38 79.787 -5.839 8.372 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.065 -6.084 8.232 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.950 -6.231 7.451 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.427 -0.327 9.324 1.00 0.00 H new ATOM 0 HA ARG A 38 79.961 -1.096 12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.423 -2.190 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.702 -2.534 10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.875 -3.344 12.128 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.732 -3.206 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.249 -4.691 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 38 80.220 -5.475 11.328 1.00 0.00 H new ATOM 0 HE ARG A 38 78.333 -4.999 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.724 -5.778 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.402 -6.580 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.953 -6.041 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.293 -6.727 6.628 1.00 0.00 H new ATOM 590 N LYS A 39 82.470 -0.567 12.297 1.00 0.00 N ATOM 591 CA LYS A 39 83.762 0.054 12.578 1.00 0.00 C ATOM 592 C LYS A 39 84.840 -0.501 11.648 1.00 0.00 C ATOM 593 O LYS A 39 84.639 -1.523 10.994 1.00 0.00 O ATOM 594 CB LYS A 39 84.158 -0.207 14.037 1.00 0.00 C ATOM 595 CG LYS A 39 83.507 0.839 14.954 1.00 0.00 C ATOM 596 CD LYS A 39 84.424 2.060 15.085 1.00 0.00 C ATOM 597 CE LYS A 39 83.777 3.085 16.018 1.00 0.00 C ATOM 598 NZ LYS A 39 84.786 4.111 16.406 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.210 -1.309 12.946 1.00 0.00 H new ATOM 0 HA LYS A 39 83.673 1.127 12.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.845 -1.208 14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.242 -0.169 14.140 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.541 1.140 14.548 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.319 0.407 15.937 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.396 1.758 15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.599 2.504 14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.931 3.561 15.522 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.387 2.589 16.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.346 4.808 17.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.580 3.650 16.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.137 4.592 15.554 1.00 0.00 H new ATOM 612 N THR A 40 85.982 0.184 11.593 1.00 0.00 N ATOM 613 CA THR A 40 87.083 -0.242 10.735 1.00 0.00 C ATOM 614 C THR A 40 87.615 -1.612 11.146 1.00 0.00 C ATOM 615 O THR A 40 87.674 -1.940 12.330 1.00 0.00 O ATOM 616 CB THR A 40 88.218 0.787 10.790 1.00 0.00 C ATOM 617 OG1 THR A 40 88.394 1.224 12.129 1.00 0.00 O ATOM 618 CG2 THR A 40 87.870 1.984 9.907 1.00 0.00 C ATOM 0 H THR A 40 86.167 1.031 12.130 1.00 0.00 H new ATOM 0 HA THR A 40 86.702 -0.317 9.717 1.00 0.00 H new ATOM 0 HB THR A 40 89.139 0.328 10.431 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.351 1.313 12.321 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.679 2.714 9.948 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.735 1.650 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.948 2.443 10.264 1.00 0.00 H new ATOM 626 N GLY A 41 88.011 -2.400 10.149 1.00 0.00 N ATOM 627 CA GLY A 41 88.549 -3.731 10.399 1.00 0.00 C ATOM 628 C GLY A 41 87.705 -4.487 11.417 1.00 0.00 C ATOM 629 O GLY A 41 88.228 -5.023 12.395 1.00 0.00 O ATOM 0 H GLY A 41 87.969 -2.139 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.585 -4.292 9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.574 -3.649 10.762 1.00 0.00 H new ATOM 633 N GLN A 42 86.397 -4.520 11.186 1.00 0.00 N ATOM 634 CA GLN A 42 85.482 -5.209 12.095 1.00 0.00 C ATOM 635 C GLN A 42 84.818 -6.396 11.406 1.00 0.00 C ATOM 636 O GLN A 42 84.295 -7.293 12.068 1.00 0.00 O ATOM 637 CB GLN A 42 84.405 -4.237 12.577 1.00 0.00 C ATOM 638 CG GLN A 42 83.457 -4.963 13.533 1.00 0.00 C ATOM 639 CD GLN A 42 82.612 -3.951 14.296 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.848 -3.125 13.636 1.00 0.00 O flip ATOM 641 NE2 GLN A 42 82.648 -3.912 15.526 1.00 0.00 N flip ATOM 0 H GLN A 42 85.947 -4.081 10.383 1.00 0.00 H new ATOM 0 HA GLN A 42 86.058 -5.577 12.944 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.866 -3.387 13.080 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.849 -3.842 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.811 -5.640 12.974 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.029 -5.573 14.232 1.00 0.00 H new ATOM 0 HE21 GLN A 42 83.246 -4.559 16.039 1.00 0.00 H new ATOM 0 HE22 GLN A 42 82.079 -3.233 16.032 1.00 0.00 H new ATOM 701 N THR A 47 91.966 -11.045 7.113 1.00 0.00 N ATOM 702 CA THR A 47 92.898 -10.660 8.168 1.00 0.00 C ATOM 703 C THR A 47 93.151 -9.157 8.133 1.00 0.00 C ATOM 704 O THR A 47 94.125 -8.693 7.541 1.00 0.00 O ATOM 705 CB THR A 47 94.220 -11.412 8.003 1.00 0.00 C ATOM 706 OG1 THR A 47 95.111 -11.030 9.042 1.00 0.00 O ATOM 707 CG2 THR A 47 94.843 -11.073 6.646 1.00 0.00 C ATOM 0 HA THR A 47 92.457 -10.920 9.130 1.00 0.00 H new ATOM 0 HB THR A 47 94.035 -12.485 8.055 1.00 0.00 H new ATOM 0 HG1 THR A 47 95.958 -11.511 8.940 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.784 -11.611 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.160 -11.366 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 47 95.029 -10.001 6.589 1.00 0.00 H new ATOM 715 N TYR A 48 92.262 -8.403 8.767 1.00 0.00 N ATOM 716 CA TYR A 48 92.387 -6.950 8.802 1.00 0.00 C ATOM 717 C TYR A 48 93.695 -6.531 9.462 1.00 0.00 C ATOM 718 O TYR A 48 94.215 -7.225 10.336 1.00 0.00 O ATOM 719 CB TYR A 48 91.210 -6.348 9.575 1.00 0.00 C ATOM 720 CG TYR A 48 90.040 -6.150 8.646 1.00 0.00 C ATOM 721 CD1 TYR A 48 90.130 -5.210 7.616 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.869 -6.895 8.816 1.00 0.00 C ATOM 723 CE1 TYR A 48 89.048 -5.012 6.754 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.785 -6.695 7.954 1.00 0.00 C ATOM 725 CZ TYR A 48 87.874 -5.754 6.923 1.00 0.00 C ATOM 726 OH TYR A 48 86.803 -5.557 6.078 1.00 0.00 O ATOM 0 H TYR A 48 91.450 -8.771 9.262 1.00 0.00 H new ATOM 0 HA TYR A 48 92.382 -6.582 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.927 -7.006 10.396 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.502 -5.395 10.016 1.00 0.00 H new ATOM 0 HD1 TYR A 48 91.036 -4.636 7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.801 -7.623 9.611 1.00 0.00 H new ATOM 0 HE1 TYR A 48 89.118 -4.286 5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.879 -7.268 8.085 1.00 0.00 H new ATOM 0 HH TYR A 48 86.070 -6.154 6.335 1.00 0.00 H new ATOM 736 N THR A 49 94.214 -5.383 9.041 1.00 0.00 N ATOM 737 CA THR A 49 95.458 -4.866 9.601 1.00 0.00 C ATOM 738 C THR A 49 95.188 -4.150 10.920 1.00 0.00 C ATOM 739 O THR A 49 94.059 -3.745 11.193 1.00 0.00 O ATOM 740 CB THR A 49 96.112 -3.895 8.614 1.00 0.00 C ATOM 741 OG1 THR A 49 95.228 -2.811 8.367 1.00 0.00 O ATOM 742 CG2 THR A 49 96.415 -4.620 7.299 1.00 0.00 C ATOM 0 H THR A 49 93.796 -4.796 8.319 1.00 0.00 H new ATOM 0 HA THR A 49 96.131 -5.703 9.784 1.00 0.00 H new ATOM 0 HB THR A 49 97.043 -3.519 9.038 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.747 -2.004 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.880 -3.926 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.093 -5.452 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.487 -4.999 6.871 1.00 0.00 H new ATOM 750 N ASP A 50 96.228 -4.000 11.734 1.00 0.00 N ATOM 751 CA ASP A 50 96.085 -3.332 13.023 1.00 0.00 C ATOM 752 C ASP A 50 95.460 -1.951 12.852 1.00 0.00 C ATOM 753 O ASP A 50 94.593 -1.552 13.628 1.00 0.00 O ATOM 754 CB ASP A 50 97.453 -3.195 13.693 1.00 0.00 C ATOM 755 CG ASP A 50 97.316 -2.428 15.003 1.00 0.00 C ATOM 756 OD1 ASP A 50 96.254 -2.498 15.601 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.274 -1.779 15.391 1.00 0.00 O1- ATOM 0 H ASP A 50 97.171 -4.329 11.527 1.00 0.00 H new ATOM 0 HA ASP A 50 95.429 -3.936 13.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.875 -4.182 13.882 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.143 -2.675 13.028 1.00 0.00 H new ATOM 762 N ALA A 51 95.911 -1.224 11.835 1.00 0.00 N ATOM 763 CA ALA A 51 95.392 0.113 11.574 1.00 0.00 C ATOM 764 C ALA A 51 93.877 0.084 11.405 1.00 0.00 C ATOM 765 O ALA A 51 93.172 0.953 11.911 1.00 0.00 O ATOM 766 CB ALA A 51 96.036 0.682 10.310 1.00 0.00 C ATOM 0 H ALA A 51 96.630 -1.536 11.182 1.00 0.00 H new ATOM 0 HA ALA A 51 95.635 0.747 12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.644 1.681 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.116 0.735 10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.807 0.036 9.463 1.00 0.00 H new ATOM 772 N ASN A 52 93.382 -0.918 10.687 1.00 0.00 N ATOM 773 CA ASN A 52 91.947 -1.046 10.458 1.00 0.00 C ATOM 774 C ASN A 52 91.274 -1.690 11.669 1.00 0.00 C ATOM 775 O ASN A 52 90.089 -1.479 11.923 1.00 0.00 O ATOM 776 CB ASN A 52 91.700 -1.898 9.201 1.00 0.00 C ATOM 777 CG ASN A 52 90.657 -1.243 8.294 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.315 -0.075 8.473 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.133 -1.934 7.319 1.00 0.00 N ATOM 0 H ASN A 52 93.948 -1.649 10.256 1.00 0.00 H new ATOM 0 HA ASN A 52 91.519 -0.054 10.310 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.634 -2.026 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.362 -2.893 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.440 -1.506 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.417 -2.902 7.170 1.00 0.00 H new ATOM 786 N LYS A 53 92.049 -2.464 12.418 1.00 0.00 N ATOM 787 CA LYS A 53 91.536 -3.128 13.607 1.00 0.00 C ATOM 788 C LYS A 53 91.617 -2.172 14.789 1.00 0.00 C ATOM 789 O LYS A 53 91.065 -2.432 15.856 1.00 0.00 O ATOM 790 CB LYS A 53 92.350 -4.412 13.869 1.00 0.00 C ATOM 791 CG LYS A 53 92.660 -4.579 15.362 1.00 0.00 C ATOM 792 CD LYS A 53 93.404 -5.898 15.580 1.00 0.00 C ATOM 793 CE LYS A 53 93.651 -6.104 17.076 1.00 0.00 C ATOM 794 NZ LYS A 53 94.733 -5.184 17.531 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.033 -2.647 12.223 1.00 0.00 H new ATOM 0 HA LYS A 53 90.493 -3.410 13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.793 -5.278 13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.281 -4.377 13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.265 -3.744 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.736 -4.570 15.940 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.821 -6.727 15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.352 -5.886 15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.736 -5.912 17.637 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.933 -7.139 17.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.008 -5.426 18.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.557 -5.281 16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.389 -4.203 17.502 1.00 0.00 H new ATOM 808 N ASN A 54 92.311 -1.061 14.580 1.00 0.00 N ATOM 809 CA ASN A 54 92.465 -0.059 15.623 1.00 0.00 C ATOM 810 C ASN A 54 91.118 0.567 15.958 1.00 0.00 C ATOM 811 O ASN A 54 90.940 1.165 17.019 1.00 0.00 O ATOM 812 CB ASN A 54 93.430 1.027 15.146 1.00 0.00 C ATOM 813 CG ASN A 54 92.683 2.111 14.371 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.732 1.776 13.543 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 92.975 3.297 14.526 1.00 0.00 N flip ATOM 0 H ASN A 54 92.774 -0.833 13.700 1.00 0.00 H new ATOM 0 HA ASN A 54 92.863 -0.537 16.518 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.938 1.470 16.002 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.199 0.585 14.513 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.718 3.559 15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.473 4.018 14.007 1.00 0.00 H new ATOM 822 N LYS A 55 90.178 0.421 15.039 1.00 0.00 N ATOM 823 CA LYS A 55 88.840 0.976 15.230 1.00 0.00 C ATOM 824 C LYS A 55 88.918 2.483 15.470 1.00 0.00 C ATOM 825 O LYS A 55 88.568 2.968 16.546 1.00 0.00 O ATOM 826 CB LYS A 55 88.153 0.299 16.423 1.00 0.00 C ATOM 827 CG LYS A 55 88.588 -1.168 16.506 1.00 0.00 C ATOM 828 CD LYS A 55 87.522 -1.981 17.244 1.00 0.00 C ATOM 829 CE LYS A 55 88.107 -3.332 17.662 1.00 0.00 C ATOM 830 NZ LYS A 55 87.008 -4.230 18.115 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.311 -0.073 14.157 1.00 0.00 H new ATOM 0 HA LYS A 55 88.257 0.791 14.328 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.412 0.818 17.346 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.070 0.362 16.315 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.737 -1.570 15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.543 -1.245 17.026 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.177 -1.435 18.122 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.655 -2.132 16.601 1.00 0.00 H new ATOM 0 HE2 LYS A 55 88.639 -3.784 16.825 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.832 -3.194 18.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 87.405 -5.148 18.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.519 -3.799 18.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 86.332 -4.371 17.337 1.00 0.00 H new ATOM 844 N GLY A 56 89.387 3.216 14.466 1.00 0.00 N ATOM 845 CA GLY A 56 89.515 4.665 14.586 1.00 0.00 C ATOM 846 C GLY A 56 88.233 5.378 14.170 1.00 0.00 C ATOM 847 O GLY A 56 87.807 6.333 14.820 1.00 0.00 O ATOM 0 H GLY A 56 89.683 2.835 13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.759 4.925 15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.342 5.010 13.966 1.00 0.00 H new ATOM 851 N ILE A 57 87.621 4.917 13.082 1.00 0.00 N ATOM 852 CA ILE A 57 86.387 5.533 12.595 1.00 0.00 C ATOM 853 C ILE A 57 85.400 4.472 12.127 1.00 0.00 C ATOM 854 O ILE A 57 85.674 3.275 12.210 1.00 0.00 O ATOM 855 CB ILE A 57 86.701 6.494 11.444 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.226 5.705 10.230 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.768 7.492 11.901 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.061 5.232 9.347 1.00 0.00 C ATOM 0 H ILE A 57 87.953 4.129 12.526 1.00 0.00 H new ATOM 0 HA ILE A 57 85.934 6.088 13.416 1.00 0.00 H new ATOM 0 HB ILE A 57 85.793 7.026 11.159 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.901 6.332 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.804 4.846 10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.996 8.179 11.086 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.397 8.055 12.757 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.672 6.953 12.185 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.453 4.677 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.402 4.587 9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.501 6.096 8.990 1.00 0.00 H new ATOM 870 N THR A 58 84.246 4.922 11.639 1.00 0.00 N ATOM 871 CA THR A 58 83.210 4.009 11.162 1.00 0.00 C ATOM 872 C THR A 58 82.923 4.234 9.684 1.00 0.00 C ATOM 873 O THR A 58 82.883 5.373 9.216 1.00 0.00 O ATOM 874 CB THR A 58 81.925 4.225 11.965 1.00 0.00 C ATOM 875 OG1 THR A 58 82.197 4.034 13.346 1.00 0.00 O ATOM 876 CG2 THR A 58 80.852 3.231 11.513 1.00 0.00 C ATOM 0 H THR A 58 84.005 5.910 11.564 1.00 0.00 H new ATOM 0 HA THR A 58 83.566 2.988 11.296 1.00 0.00 H new ATOM 0 HB THR A 58 81.563 5.239 11.798 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.376 4.173 13.863 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.941 3.392 12.090 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.642 3.379 10.454 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.208 2.213 11.673 1.00 0.00 H new ATOM 884 N TRP A 59 82.703 3.143 8.954 1.00 0.00 N ATOM 885 CA TRP A 59 82.398 3.245 7.535 1.00 0.00 C ATOM 886 C TRP A 59 81.064 3.956 7.344 1.00 0.00 C ATOM 887 O TRP A 59 80.083 3.649 8.020 1.00 0.00 O ATOM 888 CB TRP A 59 82.322 1.859 6.892 1.00 0.00 C ATOM 889 CG TRP A 59 83.461 1.007 7.359 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.737 1.428 7.491 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.451 -0.399 7.750 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.513 0.370 7.930 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.764 -0.774 8.113 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.443 -1.377 7.825 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.064 -2.071 8.539 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.742 -2.682 8.249 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.051 -3.027 8.607 1.00 0.00 C ATOM 0 H TRP A 59 82.730 2.191 9.319 1.00 0.00 H new ATOM 0 HA TRP A 59 83.196 3.813 7.056 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.375 1.384 7.147 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.350 1.952 5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.094 2.427 7.287 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.517 0.429 8.098 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.429 -1.122 7.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.075 -2.332 8.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.958 -3.423 8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.276 -4.031 8.935 1.00 0.00 H new ATOM 908 N LYS A 60 81.036 4.903 6.419 1.00 0.00 N ATOM 909 CA LYS A 60 79.820 5.656 6.140 1.00 0.00 C ATOM 910 C LYS A 60 79.845 6.156 4.701 1.00 0.00 C ATOM 911 O LYS A 60 80.616 5.659 3.885 1.00 0.00 O ATOM 912 CB LYS A 60 79.706 6.840 7.105 1.00 0.00 C ATOM 913 CG LYS A 60 79.511 6.317 8.533 1.00 0.00 C ATOM 914 CD LYS A 60 79.073 7.463 9.449 1.00 0.00 C ATOM 915 CE LYS A 60 80.278 8.345 9.778 1.00 0.00 C ATOM 916 NZ LYS A 60 79.871 9.402 10.746 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.839 5.169 5.849 1.00 0.00 H new ATOM 0 HA LYS A 60 78.956 5.006 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.604 7.455 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.867 7.475 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.761 5.526 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.440 5.880 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.298 8.055 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.640 7.064 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.080 7.740 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.668 8.801 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.691 10.002 10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.119 9.985 10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.519 8.957 11.618 1.00 0.00 H new ATOM 930 N GLU A 61 79.001 7.132 4.390 1.00 0.00 N ATOM 931 CA GLU A 61 78.954 7.669 3.036 1.00 0.00 C ATOM 932 C GLU A 61 80.151 8.578 2.777 1.00 0.00 C ATOM 933 O GLU A 61 80.937 8.341 1.859 1.00 0.00 O ATOM 934 CB GLU A 61 77.658 8.455 2.831 1.00 0.00 C ATOM 935 CG GLU A 61 77.488 8.779 1.346 1.00 0.00 C ATOM 936 CD GLU A 61 76.150 9.474 1.116 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.163 8.776 0.951 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.133 10.694 1.104 1.00 0.00 O ATOM 0 H GLU A 61 78.349 7.562 5.046 1.00 0.00 H new ATOM 0 HA GLU A 61 78.988 6.836 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.807 7.874 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.682 9.375 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.303 9.420 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.538 7.863 0.757 1.00 0.00 H new ATOM 945 N GLU A 62 80.286 9.619 3.592 1.00 0.00 N ATOM 946 CA GLU A 62 81.391 10.559 3.434 1.00 0.00 C ATOM 947 C GLU A 62 82.718 9.899 3.791 1.00 0.00 C ATOM 948 O GLU A 62 83.706 10.049 3.075 1.00 0.00 O ATOM 949 CB GLU A 62 81.168 11.782 4.325 1.00 0.00 C ATOM 950 CG GLU A 62 79.843 12.449 3.953 1.00 0.00 C ATOM 951 CD GLU A 62 79.710 13.783 4.679 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.332 14.738 4.242 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.988 13.832 5.661 1.00 0.00 O ATOM 0 H GLU A 62 79.651 9.832 4.361 1.00 0.00 H new ATOM 0 HA GLU A 62 81.428 10.872 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.156 11.484 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.989 12.488 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.795 12.606 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.011 11.797 4.218 1.00 0.00 H new ATOM 960 N THR A 63 82.733 9.166 4.894 1.00 0.00 N ATOM 961 CA THR A 63 83.950 8.487 5.320 1.00 0.00 C ATOM 962 C THR A 63 84.508 7.666 4.171 1.00 0.00 C ATOM 963 O THR A 63 85.721 7.601 3.967 1.00 0.00 O ATOM 964 CB THR A 63 83.654 7.568 6.503 1.00 0.00 C ATOM 965 OG1 THR A 63 82.668 6.620 6.126 1.00 0.00 O ATOM 966 CG2 THR A 63 83.144 8.393 7.680 1.00 0.00 C ATOM 0 H THR A 63 81.928 9.026 5.504 1.00 0.00 H new ATOM 0 HA THR A 63 84.682 9.236 5.623 1.00 0.00 H new ATOM 0 HB THR A 63 84.567 7.050 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.090 5.890 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.934 7.734 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.902 9.121 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.231 8.914 7.391 1.00 0.00 H new ATOM 974 N LEU A 64 83.611 7.041 3.420 1.00 0.00 N ATOM 975 CA LEU A 64 84.025 6.226 2.289 1.00 0.00 C ATOM 976 C LEU A 64 84.654 7.103 1.213 1.00 0.00 C ATOM 977 O LEU A 64 85.618 6.702 0.568 1.00 0.00 O ATOM 978 CB LEU A 64 82.824 5.460 1.710 1.00 0.00 C ATOM 979 CG LEU A 64 82.898 3.981 2.118 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.626 3.256 1.658 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.133 3.325 1.473 1.00 0.00 C ATOM 0 H LEU A 64 82.603 7.082 3.572 1.00 0.00 H new ATOM 0 HA LEU A 64 84.765 5.504 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.894 5.899 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.817 5.546 0.623 1.00 0.00 H new ATOM 0 HG LEU A 64 82.981 3.910 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.680 2.207 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.755 3.717 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.538 3.328 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.182 2.276 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 84.058 3.397 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.034 3.837 1.809 1.00 0.00 H new ATOM 993 N MET A 65 84.112 8.305 1.023 1.00 0.00 N ATOM 994 CA MET A 65 84.659 9.211 0.017 1.00 0.00 C ATOM 995 C MET A 65 86.149 9.423 0.255 1.00 0.00 C ATOM 996 O MET A 65 86.971 9.171 -0.625 1.00 0.00 O ATOM 997 CB MET A 65 83.942 10.562 0.062 1.00 0.00 C ATOM 998 CG MET A 65 82.452 10.356 -0.201 1.00 0.00 C ATOM 999 SD MET A 65 81.588 11.937 -0.021 1.00 0.00 S ATOM 1000 CE MET A 65 80.970 12.055 -1.716 1.00 0.00 C ATOM 0 H MET A 65 83.312 8.668 1.541 1.00 0.00 H new ATOM 0 HA MET A 65 84.508 8.761 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 65 84.089 11.032 1.035 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.364 11.235 -0.684 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.300 9.958 -1.204 1.00 0.00 H new ATOM 0 HG3 MET A 65 82.045 9.625 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.396 12.975 -1.831 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.810 12.063 -2.410 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.330 11.199 -1.930 1.00 0.00 H new ATOM 1010 N GLU A 66 86.492 9.880 1.456 1.00 0.00 N ATOM 1011 CA GLU A 66 87.888 10.111 1.800 1.00 0.00 C ATOM 1012 C GLU A 66 88.683 8.821 1.637 1.00 0.00 C ATOM 1013 O GLU A 66 89.877 8.846 1.339 1.00 0.00 O ATOM 1014 CB GLU A 66 87.998 10.604 3.244 1.00 0.00 C ATOM 1015 CG GLU A 66 87.407 12.011 3.349 1.00 0.00 C ATOM 1016 CD GLU A 66 88.349 13.023 2.706 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.341 13.360 3.332 1.00 0.00 O ATOM 1018 OE2 GLU A 66 88.066 13.445 1.597 1.00 0.00 O1- ATOM 0 H GLU A 66 85.828 10.095 2.200 1.00 0.00 H new ATOM 0 HA GLU A 66 88.294 10.870 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.469 9.925 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 66 89.042 10.612 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.435 12.043 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.243 12.268 4.396 1.00 0.00 H new ATOM 1025 N TYR A 67 88.005 7.696 1.828 1.00 0.00 N ATOM 1026 CA TYR A 67 88.644 6.395 1.693 1.00 0.00 C ATOM 1027 C TYR A 67 88.803 6.040 0.220 1.00 0.00 C ATOM 1028 O TYR A 67 89.728 5.325 -0.163 1.00 0.00 O ATOM 1029 CB TYR A 67 87.797 5.331 2.396 1.00 0.00 C ATOM 1030 CG TYR A 67 88.481 3.987 2.328 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.497 3.671 3.237 1.00 0.00 C ATOM 1032 CD2 TYR A 67 88.092 3.053 1.360 1.00 0.00 C ATOM 1033 CE1 TYR A 67 90.125 2.421 3.178 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.721 1.804 1.301 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.737 1.487 2.210 1.00 0.00 C ATOM 1036 OH TYR A 67 90.355 0.255 2.152 1.00 0.00 O ATOM 0 H TYR A 67 87.016 7.659 2.076 1.00 0.00 H new ATOM 0 HA TYR A 67 89.631 6.433 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.637 5.613 3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.815 5.271 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.797 4.391 3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.307 3.296 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.909 2.177 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.422 1.084 0.553 1.00 0.00 H new ATOM 0 HH TYR A 67 90.375 -0.058 1.223 1.00 0.00 H new ATOM 1046 N LEU A 68 87.889 6.547 -0.599 1.00 0.00 N ATOM 1047 CA LEU A 68 87.923 6.281 -2.032 1.00 0.00 C ATOM 1048 C LEU A 68 88.948 7.175 -2.727 1.00 0.00 C ATOM 1049 O LEU A 68 89.466 6.825 -3.786 1.00 0.00 O ATOM 1050 CB LEU A 68 86.538 6.534 -2.643 1.00 0.00 C ATOM 1051 CG LEU A 68 85.578 5.377 -2.337 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.256 5.626 -3.056 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.148 4.044 -2.829 1.00 0.00 C ATOM 0 H LEU A 68 87.118 7.142 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 68 88.208 5.239 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 68 86.128 7.464 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.630 6.658 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 68 85.435 5.326 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.567 4.808 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.824 6.564 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.431 5.684 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.447 3.242 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.305 4.091 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.098 3.849 -2.332 1.00 0.00 H new ATOM 1065 N GLU A 69 89.232 8.329 -2.131 1.00 0.00 N ATOM 1066 CA GLU A 69 90.195 9.261 -2.716 1.00 0.00 C ATOM 1067 C GLU A 69 91.598 8.969 -2.198 1.00 0.00 C ATOM 1068 O GLU A 69 92.579 9.562 -2.649 1.00 0.00 O ATOM 1069 CB GLU A 69 89.797 10.705 -2.381 1.00 0.00 C ATOM 1070 CG GLU A 69 90.441 11.142 -1.061 1.00 0.00 C ATOM 1071 CD GLU A 69 89.734 12.379 -0.518 1.00 0.00 C ATOM 1072 OE1 GLU A 69 88.517 12.422 -0.592 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 90.420 13.266 -0.036 1.00 0.00 O ATOM 0 H GLU A 69 88.816 8.640 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 69 90.192 9.135 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.111 11.371 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.712 10.783 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.384 10.332 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.498 11.357 -1.217 1.00 0.00 H new ATOM 1080 N ASN A 70 91.677 8.051 -1.248 1.00 0.00 N ATOM 1081 CA ASN A 70 92.954 7.671 -0.660 1.00 0.00 C ATOM 1082 C ASN A 70 92.726 6.629 0.435 1.00 0.00 C ATOM 1083 O ASN A 70 92.796 6.929 1.627 1.00 0.00 O ATOM 1084 CB ASN A 70 93.655 8.912 -0.083 1.00 0.00 C ATOM 1085 CG ASN A 70 94.928 9.215 -0.871 1.00 0.00 C ATOM 1086 OD1 ASN A 70 96.036 8.594 -0.569 1.00 0.00 O flip ATOM 1087 ND2 ASN A 70 94.911 10.039 -1.784 1.00 0.00 N flip ATOM 0 H ASN A 70 90.872 7.554 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 70 93.592 7.238 -1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 70 92.983 9.769 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.899 8.745 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 70 94.044 10.523 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.764 10.238 -2.307 1.00 0.00 H new ATOM 1094 N PRO A 71 92.441 5.420 0.039 1.00 0.00 N ATOM 1095 CA PRO A 71 92.178 4.298 0.987 1.00 0.00 C ATOM 1096 C PRO A 71 93.282 4.143 2.033 1.00 0.00 C ATOM 1097 O PRO A 71 93.025 3.729 3.165 1.00 0.00 O ATOM 1098 CB PRO A 71 92.112 3.062 0.081 1.00 0.00 C ATOM 1099 CG PRO A 71 91.768 3.579 -1.278 1.00 0.00 C ATOM 1100 CD PRO A 71 92.339 4.992 -1.364 1.00 0.00 C ATOM 0 HA PRO A 71 91.268 4.463 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.065 2.533 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.360 2.357 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.192 2.942 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.688 3.588 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.312 5.000 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.687 5.652 -1.936 1.00 0.00 H new ATOM 1108 N LYS A 72 94.512 4.454 1.640 1.00 0.00 N ATOM 1109 CA LYS A 72 95.651 4.319 2.542 1.00 0.00 C ATOM 1110 C LYS A 72 95.796 5.528 3.464 1.00 0.00 C ATOM 1111 O LYS A 72 95.985 5.373 4.670 1.00 0.00 O ATOM 1112 CB LYS A 72 96.932 4.149 1.719 1.00 0.00 C ATOM 1113 CG LYS A 72 98.129 3.889 2.646 1.00 0.00 C ATOM 1114 CD LYS A 72 98.183 2.407 3.051 1.00 0.00 C ATOM 1115 CE LYS A 72 98.355 1.518 1.811 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.264 0.382 2.141 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.746 4.799 0.709 1.00 0.00 H new ATOM 0 HA LYS A 72 95.480 3.443 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.817 3.320 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.112 5.044 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.054 4.169 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.050 4.513 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.010 2.242 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.269 2.134 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.387 1.140 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.766 2.100 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.769 0.081 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 99.952 0.686 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.705 -0.413 2.511 1.00 0.00 H new ATOM 1130 N LYS A 73 95.733 6.727 2.897 1.00 0.00 N ATOM 1131 CA LYS A 73 95.891 7.935 3.701 1.00 0.00 C ATOM 1132 C LYS A 73 94.847 7.992 4.815 1.00 0.00 C ATOM 1133 O LYS A 73 95.121 8.498 5.903 1.00 0.00 O ATOM 1134 CB LYS A 73 95.774 9.185 2.819 1.00 0.00 C ATOM 1135 CG LYS A 73 96.710 10.278 3.346 1.00 0.00 C ATOM 1136 CD LYS A 73 96.273 11.644 2.801 1.00 0.00 C ATOM 1137 CE LYS A 73 94.958 12.081 3.460 1.00 0.00 C ATOM 1138 NZ LYS A 73 94.920 13.568 3.547 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.577 6.889 1.902 1.00 0.00 H new ATOM 0 HA LYS A 73 96.882 7.907 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.030 8.940 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.745 9.544 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.694 10.289 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.736 10.067 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.049 12.385 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.146 11.589 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.109 11.718 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.874 11.645 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.030 13.867 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.723 13.903 4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 94.981 13.973 2.591 1.00 0.00 H new ATOM 1152 N TYR A 74 93.651 7.481 4.537 1.00 0.00 N ATOM 1153 CA TYR A 74 92.583 7.493 5.533 1.00 0.00 C ATOM 1154 C TYR A 74 92.945 6.593 6.711 1.00 0.00 C ATOM 1155 O TYR A 74 92.987 7.042 7.856 1.00 0.00 O ATOM 1156 CB TYR A 74 91.267 7.026 4.896 1.00 0.00 C ATOM 1157 CG TYR A 74 90.100 7.741 5.545 1.00 0.00 C ATOM 1158 CD1 TYR A 74 89.989 9.133 5.446 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.130 7.010 6.245 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.910 9.794 6.046 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.051 7.672 6.844 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.941 9.064 6.745 1.00 0.00 C ATOM 1163 OH TYR A 74 86.877 9.715 7.335 1.00 0.00 O ATOM 0 H TYR A 74 93.398 7.059 3.643 1.00 0.00 H new ATOM 0 HA TYR A 74 92.458 8.512 5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.279 7.228 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.157 5.948 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.736 9.697 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.215 5.936 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.825 10.868 5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.304 7.108 7.383 1.00 0.00 H new ATOM 0 HH TYR A 74 86.298 9.060 7.778 1.00 0.00 H new ATOM 1173 N ILE A 75 93.214 5.323 6.420 1.00 0.00 N ATOM 1174 CA ILE A 75 93.583 4.366 7.462 1.00 0.00 C ATOM 1175 C ILE A 75 94.875 3.647 7.080 1.00 0.00 C ATOM 1176 O ILE A 75 94.865 2.460 6.757 1.00 0.00 O ATOM 1177 CB ILE A 75 92.459 3.342 7.657 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.139 4.075 7.924 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.788 2.437 8.850 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.964 3.128 7.672 1.00 0.00 C ATOM 0 H ILE A 75 93.184 4.933 5.478 1.00 0.00 H new ATOM 0 HA ILE A 75 93.739 4.907 8.395 1.00 0.00 H new ATOM 0 HB ILE A 75 92.364 2.735 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.114 4.436 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.060 4.949 7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.988 1.710 8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.725 1.914 8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.885 3.043 9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.027 3.652 7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.986 2.789 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.041 2.268 8.337 1.00 0.00 H new ATOM 1192 N PRO A 76 95.980 4.350 7.105 1.00 0.00 N ATOM 1193 CA PRO A 76 97.310 3.780 6.749 1.00 0.00 C ATOM 1194 C PRO A 76 97.512 2.380 7.317 1.00 0.00 C ATOM 1195 O PRO A 76 97.160 2.110 8.464 1.00 0.00 O ATOM 1196 CB PRO A 76 98.294 4.776 7.362 1.00 0.00 C ATOM 1197 CG PRO A 76 97.577 6.087 7.341 1.00 0.00 C ATOM 1198 CD PRO A 76 96.084 5.771 7.481 1.00 0.00 C ATOM 0 HA PRO A 76 97.433 3.657 5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.564 4.490 8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.219 4.822 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.916 6.727 8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.775 6.622 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.735 5.940 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.480 6.401 6.828 1.00 0.00 H new ATOM 1206 N GLY A 77 98.078 1.494 6.505 1.00 0.00 N ATOM 1207 CA GLY A 77 98.320 0.119 6.930 1.00 0.00 C ATOM 1208 C GLY A 77 97.314 -0.824 6.283 1.00 0.00 C ATOM 1209 O GLY A 77 97.605 -1.997 6.053 1.00 0.00 O ATOM 0 H GLY A 77 98.377 1.702 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.333 -0.179 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.247 0.049 8.015 1.00 0.00 H new ATOM 1213 N THR A 78 96.129 -0.300 5.985 1.00 0.00 N ATOM 1214 CA THR A 78 95.085 -1.101 5.360 1.00 0.00 C ATOM 1215 C THR A 78 95.599 -1.730 4.070 1.00 0.00 C ATOM 1216 O THR A 78 96.259 -1.071 3.268 1.00 0.00 O ATOM 1217 CB THR A 78 93.872 -0.226 5.053 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.799 -1.044 4.605 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.238 0.781 3.965 1.00 0.00 C ATOM 0 H THR A 78 95.870 0.670 6.165 1.00 0.00 H new ATOM 0 HA THR A 78 94.796 -1.894 6.050 1.00 0.00 H new ATOM 0 HB THR A 78 93.568 0.307 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.020 -0.483 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.374 1.407 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.061 1.407 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.541 0.249 3.063 1.00 0.00 H new ATOM 1227 N LYS A 79 95.296 -3.009 3.877 1.00 0.00 N ATOM 1228 CA LYS A 79 95.743 -3.711 2.678 1.00 0.00 C ATOM 1229 C LYS A 79 94.869 -3.341 1.478 1.00 0.00 C ATOM 1230 O LYS A 79 93.855 -3.985 1.218 1.00 0.00 O ATOM 1231 CB LYS A 79 95.689 -5.230 2.915 1.00 0.00 C ATOM 1232 CG LYS A 79 97.109 -5.796 3.056 1.00 0.00 C ATOM 1233 CD LYS A 79 97.729 -5.308 4.368 1.00 0.00 C ATOM 1234 CE LYS A 79 99.242 -5.529 4.330 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.528 -6.987 4.233 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.750 -3.576 4.526 1.00 0.00 H new ATOM 0 HA LYS A 79 96.769 -3.413 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.113 -5.445 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.176 -5.717 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.080 -6.885 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.723 -5.480 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.509 -4.251 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.293 -5.845 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.676 -5.005 3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.703 -5.116 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.535 -7.157 4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 98.950 -7.501 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 99.299 -7.323 3.276 1.00 0.00 H new ATOM 1249 N MET A 80 95.279 -2.311 0.742 1.00 0.00 N ATOM 1250 CA MET A 80 94.529 -1.880 -0.435 1.00 0.00 C ATOM 1251 C MET A 80 95.240 -0.728 -1.141 1.00 0.00 C ATOM 1252 O MET A 80 95.156 0.423 -0.714 1.00 0.00 O ATOM 1253 CB MET A 80 93.116 -1.437 -0.041 1.00 0.00 C ATOM 1254 CG MET A 80 92.381 -0.924 -1.283 1.00 0.00 C ATOM 1255 SD MET A 80 90.591 -1.017 -1.017 1.00 0.00 S ATOM 1256 CE MET A 80 90.136 0.417 -2.021 1.00 0.00 C ATOM 0 H MET A 80 96.118 -1.764 0.937 1.00 0.00 H new ATOM 0 HA MET A 80 94.464 -2.729 -1.116 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.571 -2.272 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.166 -0.654 0.716 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.674 0.105 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.660 -1.518 -2.153 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.181 0.229 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.049 1.296 -1.382 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.903 0.591 -2.775 1.00 0.00 H new ATOM 1266 N ILE A 81 95.938 -1.051 -2.225 1.00 0.00 N ATOM 1267 CA ILE A 81 96.661 -0.045 -2.997 1.00 0.00 C ATOM 1268 C ILE A 81 96.491 -0.302 -4.492 1.00 0.00 C ATOM 1269 O ILE A 81 97.368 -0.877 -5.136 1.00 0.00 O ATOM 1270 CB ILE A 81 98.149 -0.076 -2.636 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.322 0.200 -1.132 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.890 0.996 -3.441 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.287 -1.117 -0.346 1.00 0.00 C ATOM 0 H ILE A 81 96.019 -2.000 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 81 96.253 0.937 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 81 98.559 -1.058 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.267 0.713 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.530 0.862 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.949 0.976 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.770 0.799 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.479 1.977 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.410 -0.910 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.331 -1.613 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.095 -1.765 -0.685 1.00 0.00 H new ATOM 1285 N PHE A 82 95.352 0.125 -5.036 1.00 0.00 N ATOM 1286 CA PHE A 82 95.068 -0.065 -6.458 1.00 0.00 C ATOM 1287 C PHE A 82 95.039 1.277 -7.184 1.00 0.00 C ATOM 1288 O PHE A 82 95.938 1.590 -7.966 1.00 0.00 O ATOM 1289 CB PHE A 82 93.718 -0.768 -6.630 1.00 0.00 C ATOM 1290 CG PHE A 82 93.458 -1.010 -8.099 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.148 -2.026 -8.771 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.531 -0.219 -8.788 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.909 -2.251 -10.132 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.293 -0.445 -10.150 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.982 -1.461 -10.822 1.00 0.00 C ATOM 0 H PHE A 82 94.615 0.602 -4.517 1.00 0.00 H new ATOM 0 HA PHE A 82 95.858 -0.681 -6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.718 -1.714 -6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.921 -0.157 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.864 -2.636 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.999 0.565 -8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.441 -3.035 -10.650 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.578 0.165 -10.682 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.799 -1.635 -11.872 1.00 0.00 H new ATOM 1305 N ALA A 83 94.002 2.065 -6.923 1.00 0.00 N ATOM 1306 CA ALA A 83 93.864 3.371 -7.558 1.00 0.00 C ATOM 1307 C ALA A 83 92.660 4.117 -6.990 1.00 0.00 C ATOM 1308 O ALA A 83 91.518 3.695 -7.166 1.00 0.00 O ATOM 1309 CB ALA A 83 93.697 3.202 -9.069 1.00 0.00 C ATOM 0 H ALA A 83 93.248 1.824 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 83 94.765 3.950 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.595 4.182 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.571 2.695 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.806 2.608 -9.272 1.00 0.00 H new ATOM 1315 N GLY A 84 92.926 5.225 -6.307 1.00 0.00 N ATOM 1316 CA GLY A 84 91.857 6.021 -5.716 1.00 0.00 C ATOM 1317 C GLY A 84 90.968 6.634 -6.792 1.00 0.00 C ATOM 1318 O GLY A 84 91.216 6.467 -7.987 1.00 0.00 O ATOM 0 H GLY A 84 93.865 5.590 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.256 5.395 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.286 6.812 -5.101 1.00 0.00 H new ATOM 1322 N ILE A 85 89.933 7.346 -6.358 1.00 0.00 N ATOM 1323 CA ILE A 85 89.007 7.987 -7.287 1.00 0.00 C ATOM 1324 C ILE A 85 89.464 9.416 -7.583 1.00 0.00 C ATOM 1325 O ILE A 85 90.245 9.993 -6.826 1.00 0.00 O ATOM 1326 CB ILE A 85 87.603 8.002 -6.676 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.043 6.568 -6.621 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.677 8.888 -7.513 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.372 6.198 -7.949 1.00 0.00 C ATOM 0 H ILE A 85 89.714 7.494 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 85 88.989 7.426 -8.221 1.00 0.00 H new ATOM 0 HB ILE A 85 87.660 8.404 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.848 5.866 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.322 6.485 -5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.681 8.893 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.069 9.905 -7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.621 8.498 -8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.983 5.181 -7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.553 6.889 -8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.103 6.260 -8.756 1.00 0.00 H new ATOM 1341 N LYS A 86 88.988 9.976 -8.692 1.00 0.00 N ATOM 1342 CA LYS A 86 89.374 11.331 -9.079 1.00 0.00 C ATOM 1343 C LYS A 86 88.312 12.356 -8.683 1.00 0.00 C ATOM 1344 O LYS A 86 88.543 13.193 -7.810 1.00 0.00 O ATOM 1345 CB LYS A 86 89.600 11.394 -10.592 1.00 0.00 C ATOM 1346 CG LYS A 86 90.299 12.706 -10.950 1.00 0.00 C ATOM 1347 CD LYS A 86 90.348 12.861 -12.472 1.00 0.00 C ATOM 1348 CE LYS A 86 90.812 14.275 -12.827 1.00 0.00 C ATOM 1349 NZ LYS A 86 89.694 15.236 -12.604 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.340 9.518 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 86 90.296 11.576 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.205 10.547 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.647 11.323 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 86 89.767 13.547 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.309 12.716 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.028 12.125 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 86 89.363 12.672 -12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.671 14.552 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.136 14.313 -13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.896 16.126 -13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 88.809 14.829 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.596 15.424 -11.586 1.00 0.00 H new ATOM 1363 N LYS A 87 87.157 12.303 -9.343 1.00 0.00 N ATOM 1364 CA LYS A 87 86.081 13.251 -9.061 1.00 0.00 C ATOM 1365 C LYS A 87 85.242 12.807 -7.867 1.00 0.00 C ATOM 1366 O LYS A 87 85.275 11.644 -7.463 1.00 0.00 O ATOM 1367 CB LYS A 87 85.181 13.393 -10.289 1.00 0.00 C ATOM 1368 CG LYS A 87 86.012 13.887 -11.477 1.00 0.00 C ATOM 1369 CD LYS A 87 85.128 13.982 -12.727 1.00 0.00 C ATOM 1370 CE LYS A 87 84.437 15.348 -12.770 1.00 0.00 C ATOM 1371 NZ LYS A 87 83.422 15.356 -13.862 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.943 11.621 -10.070 1.00 0.00 H new ATOM 0 HA LYS A 87 86.537 14.211 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.720 12.435 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.372 14.093 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.443 14.862 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.843 13.206 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.733 13.842 -13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.382 13.187 -12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 87 83.959 15.556 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.173 16.135 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 82.952 16.283 -13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 83.891 15.175 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 82.714 14.615 -13.684 1.00 0.00 H new ATOM 1385 N LYS A 88 84.483 13.745 -7.309 1.00 0.00 N ATOM 1386 CA LYS A 88 83.630 13.442 -6.168 1.00 0.00 C ATOM 1387 C LYS A 88 82.456 12.575 -6.603 1.00 0.00 C ATOM 1388 O LYS A 88 82.199 11.528 -6.014 1.00 0.00 O ATOM 1389 CB LYS A 88 83.107 14.736 -5.539 1.00 0.00 C ATOM 1390 CG LYS A 88 82.487 14.423 -4.173 1.00 0.00 C ATOM 1391 CD LYS A 88 81.829 15.686 -3.601 1.00 0.00 C ATOM 1392 CE LYS A 88 80.375 15.773 -4.075 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.878 17.167 -3.897 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.442 14.714 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 88 84.221 12.899 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.920 15.453 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.365 15.196 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.747 13.629 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.254 14.060 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.865 15.665 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.379 16.571 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.305 15.481 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.754 15.079 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.891 17.227 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.931 17.429 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.465 17.819 -4.456 1.00 0.00 H new ATOM 1407 N THR A 89 81.748 13.013 -7.641 1.00 0.00 N ATOM 1408 CA THR A 89 80.607 12.254 -8.137 1.00 0.00 C ATOM 1409 C THR A 89 81.007 10.810 -8.397 1.00 0.00 C ATOM 1410 O THR A 89 80.179 9.905 -8.325 1.00 0.00 O ATOM 1411 CB THR A 89 80.070 12.869 -9.428 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.125 12.980 -10.374 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.493 14.255 -9.135 1.00 0.00 C ATOM 0 H THR A 89 81.941 13.877 -8.148 1.00 0.00 H new ATOM 0 HA THR A 89 79.826 12.283 -7.377 1.00 0.00 H new ATOM 0 HB THR A 89 79.285 12.232 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.781 13.373 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.110 14.692 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.682 14.166 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.275 14.896 -8.727 1.00 0.00 H new ATOM 1421 N GLU A 90 82.286 10.596 -8.686 1.00 0.00 N ATOM 1422 CA GLU A 90 82.773 9.248 -8.933 1.00 0.00 C ATOM 1423 C GLU A 90 82.703 8.457 -7.635 1.00 0.00 C ATOM 1424 O GLU A 90 82.379 7.270 -7.630 1.00 0.00 O ATOM 1425 CB GLU A 90 84.214 9.286 -9.449 1.00 0.00 C ATOM 1426 CG GLU A 90 84.223 9.681 -10.926 1.00 0.00 C ATOM 1427 CD GLU A 90 85.628 10.104 -11.343 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.575 9.570 -10.790 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.737 10.958 -12.209 1.00 0.00 O ATOM 0 H GLU A 90 82.993 11.328 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 90 82.153 8.770 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.800 9.999 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.682 8.310 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.890 8.842 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.522 10.498 -11.097 1.00 0.00 H new ATOM 1436 N ARG A 91 82.990 9.140 -6.529 1.00 0.00 N ATOM 1437 CA ARG A 91 82.938 8.511 -5.215 1.00 0.00 C ATOM 1438 C ARG A 91 81.492 8.376 -4.760 1.00 0.00 C ATOM 1439 O ARG A 91 81.069 7.309 -4.325 1.00 0.00 O ATOM 1440 CB ARG A 91 83.707 9.348 -4.191 1.00 0.00 C ATOM 1441 CG ARG A 91 85.124 9.607 -4.698 1.00 0.00 C ATOM 1442 CD ARG A 91 85.925 10.365 -3.631 1.00 0.00 C ATOM 1443 NE ARG A 91 86.680 11.449 -4.251 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.078 12.506 -3.548 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.819 12.582 -2.270 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.733 13.469 -4.137 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.259 10.124 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 91 83.395 7.524 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.193 10.294 -4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.742 8.827 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.615 8.662 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.090 10.186 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.250 10.767 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.605 9.682 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 91 86.907 11.395 -5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.310 11.829 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.126 13.394 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.939 13.410 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.039 14.280 -3.600 1.00 0.00 H new ATOM 1460 N GLU A 92 80.737 9.466 -4.862 1.00 0.00 N ATOM 1461 CA GLU A 92 79.337 9.447 -4.458 1.00 0.00 C ATOM 1462 C GLU A 92 78.588 8.377 -5.240 1.00 0.00 C ATOM 1463 O GLU A 92 77.935 7.514 -4.657 1.00 0.00 O ATOM 1464 CB GLU A 92 78.696 10.814 -4.709 1.00 0.00 C ATOM 1465 CG GLU A 92 77.279 10.826 -4.134 1.00 0.00 C ATOM 1466 CD GLU A 92 76.650 12.203 -4.323 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.192 12.477 -5.419 1.00 0.00 O ATOM 1468 OE2 GLU A 92 76.637 12.962 -3.368 1.00 0.00 O1- ATOM 0 H GLU A 92 81.067 10.363 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 92 79.281 9.220 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.294 11.599 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.668 11.024 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.671 10.069 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.306 10.572 -3.074 1.00 0.00 H new ATOM 1475 N ASP A 93 78.699 8.434 -6.564 1.00 0.00 N ATOM 1476 CA ASP A 93 78.039 7.451 -7.414 1.00 0.00 C ATOM 1477 C ASP A 93 78.526 6.048 -7.064 1.00 0.00 C ATOM 1478 O ASP A 93 77.728 5.148 -6.806 1.00 0.00 O ATOM 1479 CB ASP A 93 78.339 7.749 -8.884 1.00 0.00 C ATOM 1480 CG ASP A 93 77.779 9.115 -9.264 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.701 9.964 -8.392 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.436 9.292 -10.422 1.00 0.00 O1- ATOM 0 H ASP A 93 79.234 9.143 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 93 76.963 7.507 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.415 7.727 -9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.900 6.978 -9.517 1.00 0.00 H new ATOM 1487 N LEU A 94 79.846 5.876 -7.048 1.00 0.00 N ATOM 1488 CA LEU A 94 80.439 4.583 -6.717 1.00 0.00 C ATOM 1489 C LEU A 94 79.940 4.110 -5.360 1.00 0.00 C ATOM 1490 O LEU A 94 79.709 2.920 -5.146 1.00 0.00 O ATOM 1491 CB LEU A 94 81.965 4.708 -6.670 1.00 0.00 C ATOM 1492 CG LEU A 94 82.587 3.398 -6.180 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.093 2.241 -7.047 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.116 3.493 -6.263 1.00 0.00 C ATOM 0 H LEU A 94 80.521 6.611 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 94 80.151 3.862 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.348 4.953 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.250 5.525 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 94 82.294 3.222 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.537 1.309 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 94 81.007 2.174 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.382 2.414 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.558 2.560 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.414 3.671 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.464 4.315 -5.638 1.00 0.00 H new ATOM 1506 N ILE A 95 79.789 5.056 -4.445 1.00 0.00 N ATOM 1507 CA ILE A 95 79.334 4.737 -3.105 1.00 0.00 C ATOM 1508 C ILE A 95 77.837 4.472 -3.101 1.00 0.00 C ATOM 1509 O ILE A 95 77.334 3.695 -2.289 1.00 0.00 O ATOM 1510 CB ILE A 95 79.671 5.887 -2.152 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.184 5.882 -1.901 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.916 5.698 -0.829 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.640 7.247 -1.381 1.00 0.00 C ATOM 0 H ILE A 95 79.975 6.046 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 95 79.844 3.835 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 95 79.373 6.840 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.437 5.107 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.712 5.642 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 95 79.157 6.518 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.843 5.689 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.211 4.753 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.716 7.229 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.404 8.014 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.125 7.471 -0.447 1.00 0.00 H new ATOM 1525 N ALA A 96 77.129 5.110 -4.022 1.00 0.00 N ATOM 1526 CA ALA A 96 75.693 4.923 -4.121 1.00 0.00 C ATOM 1527 C ALA A 96 75.397 3.492 -4.547 1.00 0.00 C ATOM 1528 O ALA A 96 74.411 2.893 -4.117 1.00 0.00 O ATOM 1529 CB ALA A 96 75.107 5.903 -5.135 1.00 0.00 C ATOM 0 H ALA A 96 77.524 5.756 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 96 75.237 5.111 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.029 5.755 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.314 6.924 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.559 5.730 -6.112 1.00 0.00 H new ATOM 1535 N TYR A 97 76.277 2.942 -5.378 1.00 0.00 N ATOM 1536 CA TYR A 97 76.117 1.571 -5.837 1.00 0.00 C ATOM 1537 C TYR A 97 76.499 0.619 -4.713 1.00 0.00 C ATOM 1538 O TYR A 97 75.902 -0.445 -4.553 1.00 0.00 O ATOM 1539 CB TYR A 97 76.998 1.307 -7.062 1.00 0.00 C ATOM 1540 CG TYR A 97 76.996 -0.171 -7.377 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.922 -0.739 -8.071 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.069 -0.976 -6.970 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.919 -2.109 -8.361 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.065 -2.346 -7.260 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.991 -2.913 -7.954 1.00 0.00 C ATOM 1546 OH TYR A 97 76.987 -4.263 -8.240 1.00 0.00 O ATOM 0 H TYR A 97 77.100 3.421 -5.743 1.00 0.00 H new ATOM 0 HA TYR A 97 75.077 1.410 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.628 1.872 -7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 97 78.016 1.647 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.094 -0.120 -8.383 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.898 -0.540 -6.433 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.090 -2.545 -8.898 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.892 -2.966 -6.947 1.00 0.00 H new ATOM 0 HH TYR A 97 77.804 -4.674 -7.889 1.00 0.00 H new ATOM 1556 N LEU A 98 77.493 1.022 -3.927 1.00 0.00 N ATOM 1557 CA LEU A 98 77.946 0.211 -2.805 1.00 0.00 C ATOM 1558 C LEU A 98 76.796 0.003 -1.824 1.00 0.00 C ATOM 1559 O LEU A 98 76.592 -1.095 -1.311 1.00 0.00 O ATOM 1560 CB LEU A 98 79.094 0.917 -2.079 1.00 0.00 C ATOM 1561 CG LEU A 98 80.402 0.761 -2.868 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.432 1.778 -2.358 1.00 0.00 C ATOM 1563 CD2 LEU A 98 80.962 -0.661 -2.694 1.00 0.00 C ATOM 0 H LEU A 98 77.997 1.901 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 98 78.290 -0.752 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 98 78.860 1.974 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.213 0.499 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 98 80.200 0.937 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.361 1.667 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.044 2.788 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.624 1.602 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.889 -0.758 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.158 -0.848 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.236 -1.386 -3.062 1.00 0.00 H new ATOM 1575 N LYS A 99 76.055 1.077 -1.564 1.00 0.00 N ATOM 1576 CA LYS A 99 74.932 1.022 -0.634 1.00 0.00 C ATOM 1577 C LYS A 99 73.845 0.072 -1.134 1.00 0.00 C ATOM 1578 O LYS A 99 73.397 -0.810 -0.402 1.00 0.00 O ATOM 1579 CB LYS A 99 74.341 2.422 -0.452 1.00 0.00 C ATOM 1580 CG LYS A 99 75.366 3.321 0.243 1.00 0.00 C ATOM 1581 CD LYS A 99 74.903 4.779 0.171 1.00 0.00 C ATOM 1582 CE LYS A 99 73.619 4.954 0.986 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.412 6.400 1.279 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.212 1.994 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 99 75.302 0.649 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.070 2.843 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.427 2.369 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.485 3.018 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.341 3.214 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.682 5.437 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.728 5.064 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.767 4.558 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.686 4.389 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.228 6.525 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 74.264 6.934 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 72.599 6.752 0.734 1.00 0.00 H new ATOM 1597 N LYS A 100 73.418 0.266 -2.377 1.00 0.00 N ATOM 1598 CA LYS A 100 72.373 -0.574 -2.955 1.00 0.00 C ATOM 1599 C LYS A 100 72.907 -1.965 -3.284 1.00 0.00 C ATOM 1600 O LYS A 100 72.141 -2.920 -3.402 1.00 0.00 O ATOM 1601 CB LYS A 100 71.824 0.076 -4.227 1.00 0.00 C ATOM 1602 CG LYS A 100 70.970 1.290 -3.855 1.00 0.00 C ATOM 1603 CD LYS A 100 70.463 1.968 -5.129 1.00 0.00 C ATOM 1604 CE LYS A 100 69.464 3.066 -4.762 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.291 2.460 -4.070 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.775 0.991 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 100 71.575 -0.674 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.645 0.381 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.227 -0.644 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.128 0.980 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.557 1.994 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.299 2.394 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.989 1.234 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.940 3.804 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.139 3.591 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.452 3.056 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.115 1.509 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.487 2.391 -3.051 1.00 0.00 H new ATOM 1619 N ALA A 101 74.222 -2.073 -3.435 1.00 0.00 N ATOM 1620 CA ALA A 101 74.841 -3.354 -3.754 1.00 0.00 C ATOM 1621 C ALA A 101 75.120 -4.149 -2.484 1.00 0.00 C ATOM 1622 O ALA A 101 75.118 -5.380 -2.495 1.00 0.00 O ATOM 1623 CB ALA A 101 76.151 -3.128 -4.510 1.00 0.00 C ATOM 0 H ALA A 101 74.876 -1.296 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 101 74.151 -3.920 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.607 -4.090 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.949 -2.588 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.833 -2.545 -3.891 1.00 0.00 H new ATOM 1629 N THR A 102 75.357 -3.436 -1.388 1.00 0.00 N ATOM 1630 CA THR A 102 75.639 -4.079 -0.110 1.00 0.00 C ATOM 1631 C THR A 102 74.345 -4.328 0.648 1.00 0.00 C ATOM 1632 O THR A 102 74.345 -4.917 1.731 1.00 0.00 O ATOM 1633 CB THR A 102 76.560 -3.191 0.727 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.009 -1.884 0.810 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.937 -3.129 0.070 1.00 0.00 C ATOM 0 H THR A 102 75.359 -2.416 -1.359 1.00 0.00 H new ATOM 0 HA THR A 102 76.131 -5.033 -0.299 1.00 0.00 H new ATOM 0 HB THR A 102 76.657 -3.605 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.359 -1.334 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.596 -2.496 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.356 -4.133 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.843 -2.713 -0.933 1.00 0.00 H new ATOM 1643 N ASN A 103 73.244 -3.872 0.065 1.00 0.00 N ATOM 1644 CA ASN A 103 71.932 -4.038 0.673 1.00 0.00 C ATOM 1645 C ASN A 103 71.242 -5.273 0.104 1.00 0.00 C ATOM 1646 O ASN A 103 70.373 -5.864 0.744 1.00 0.00 O ATOM 1647 CB ASN A 103 71.083 -2.796 0.398 1.00 0.00 C ATOM 1648 CG ASN A 103 71.448 -1.685 1.372 1.00 0.00 C ATOM 1649 OD1 ASN A 103 72.640 -1.658 1.894 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 70.624 -0.819 1.666 1.00 0.00 N flip ATOM 0 H ASN A 103 73.235 -3.383 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 103 72.050 -4.167 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.240 -2.458 -0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.025 -3.041 0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 103 69.691 -0.843 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 103 70.875 -0.078 2.320 1.00 0.00 H new ATOM 1657 N GLU A 104 71.640 -5.656 -1.106 1.00 0.00 N ATOM 1658 CA GLU A 104 71.059 -6.824 -1.761 1.00 0.00 C ATOM 1659 C GLU A 104 72.106 -7.533 -2.615 1.00 0.00 C ATOM 1660 O GLU A 104 71.944 -8.718 -2.854 1.00 0.00 O ATOM 1661 CB GLU A 104 69.882 -6.399 -2.643 1.00 0.00 C ATOM 1662 CG GLU A 104 70.296 -5.208 -3.510 1.00 0.00 C ATOM 1663 CD GLU A 104 69.299 -5.022 -4.649 1.00 0.00 C ATOM 1664 OE1 GLU A 104 69.065 -5.980 -5.367 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.784 -3.924 -4.785 1.00 0.00 O ATOM 1666 OXT GLU A 104 73.055 -6.879 -3.017 1.00 0.00 O ATOM 0 H GLU A 104 72.358 -5.178 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 104 70.706 -7.511 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.569 -7.230 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 104 69.027 -6.130 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.341 -4.304 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 104 71.295 -5.371 -3.913 1.00 0.00 H new