USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 5 HIS : no HE2:sc= 1.34 K(o=1.5,f=-5.3!) USER MOD Set 1.2: A 6 SER OG : rot -112:sc= 0.15 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= -0.0601 (180deg=-0.0601) USER MOD Single : A 8 SER OG : rot -28:sc= 0.433 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0223) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 34 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.96) USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= 1.12 (180deg=-1) USER MOD Single : A 44 THR OG1 : rot -145:sc= -2.11! USER MOD Single : A 46 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-8.8!) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00536 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.722 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.22) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0623) USER MOD Single : A 78 ASN : amide:sc= 1.16 K(o=1.2,f=-0.03) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= -0.0158 (180deg=-0.102) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.474 7.850 -10.004 1.00 0.00 N ATOM 2 CA GLU A 2 10.921 8.956 -9.248 1.00 0.00 C ATOM 3 C GLU A 2 10.931 8.604 -7.783 1.00 0.00 C ATOM 4 O GLU A 2 11.046 7.422 -7.425 1.00 0.00 O ATOM 5 CB GLU A 2 9.488 9.288 -9.700 1.00 0.00 C ATOM 6 CG GLU A 2 8.478 8.172 -9.510 1.00 0.00 C ATOM 7 CD GLU A 2 7.071 8.631 -9.783 1.00 0.00 C ATOM 8 OE1 GLU A 2 6.406 9.099 -8.837 1.00 0.00 O ATOM 9 OE2 GLU A 2 6.606 8.551 -10.935 1.00 0.00 O ATOM 0 HA GLU A 2 11.535 9.839 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.145 10.165 -9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.511 9.561 -10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.724 7.344 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.544 7.793 -8.490 1.00 0.00 H new ATOM 16 N LEU A 3 10.854 9.607 -6.951 1.00 0.00 N ATOM 17 CA LEU A 3 10.801 9.432 -5.528 1.00 0.00 C ATOM 18 C LEU A 3 9.788 10.344 -4.933 1.00 0.00 C ATOM 19 O LEU A 3 9.899 11.572 -5.028 1.00 0.00 O ATOM 20 CB LEU A 3 12.164 9.635 -4.861 1.00 0.00 C ATOM 21 CG LEU A 3 13.130 8.463 -4.957 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.490 8.848 -4.405 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.565 7.277 -4.183 1.00 0.00 C ATOM 0 H LEU A 3 10.826 10.582 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 3 10.508 8.399 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.638 10.510 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.001 9.862 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 3 13.252 8.187 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.168 7.998 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.891 9.685 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.389 9.138 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.255 6.436 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.433 7.555 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.603 6.991 -4.607 1.00 0.00 H new ATOM 35 N LYS A 4 8.788 9.753 -4.354 1.00 0.00 N ATOM 36 CA LYS A 4 7.736 10.482 -3.685 1.00 0.00 C ATOM 37 C LYS A 4 8.219 11.379 -2.554 1.00 0.00 C ATOM 38 O LYS A 4 9.281 11.170 -1.973 1.00 0.00 O ATOM 39 CB LYS A 4 6.618 9.557 -3.171 1.00 0.00 C ATOM 40 CG LYS A 4 7.030 8.169 -2.605 1.00 0.00 C ATOM 41 CD LYS A 4 8.217 8.131 -1.662 1.00 0.00 C ATOM 42 CE LYS A 4 7.971 8.842 -0.359 1.00 0.00 C ATOM 43 NZ LYS A 4 9.116 8.713 0.566 1.00 0.00 N ATOM 0 H LYS A 4 8.671 8.740 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 4 7.333 11.134 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.075 10.090 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.918 9.391 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.170 7.748 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.246 7.511 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.475 7.092 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.078 8.582 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.778 9.897 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.076 8.436 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.906 9.217 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.285 7.708 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.965 9.124 0.127 1.00 0.00 H new ATOM 57 N HIS A 5 7.427 12.371 -2.261 1.00 0.00 N ATOM 58 CA HIS A 5 7.682 13.254 -1.139 1.00 0.00 C ATOM 59 C HIS A 5 6.745 12.867 0.023 1.00 0.00 C ATOM 60 O HIS A 5 6.924 13.299 1.151 1.00 0.00 O ATOM 61 CB HIS A 5 7.454 14.735 -1.554 1.00 0.00 C ATOM 62 CG HIS A 5 6.018 15.073 -1.861 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.366 14.696 -3.011 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.088 15.690 -1.093 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.101 15.064 -2.910 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.870 15.679 -1.759 1.00 0.00 N ATOM 0 H HIS A 5 6.584 12.597 -2.788 1.00 0.00 H new ATOM 0 HA HIS A 5 8.719 13.151 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.806 15.384 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.063 14.953 -2.431 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.787 14.215 -3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.266 16.121 -0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.352 14.887 -3.668 1.00 0.00 H new ATOM 74 N SER A 6 5.733 12.059 -0.292 1.00 0.00 N ATOM 75 CA SER A 6 4.739 11.629 0.670 1.00 0.00 C ATOM 76 C SER A 6 3.964 10.474 0.064 1.00 0.00 C ATOM 77 O SER A 6 4.237 10.088 -1.080 1.00 0.00 O ATOM 78 CB SER A 6 3.770 12.790 0.958 1.00 0.00 C ATOM 79 OG SER A 6 3.089 13.189 -0.228 1.00 0.00 O ATOM 0 H SER A 6 5.586 11.686 -1.230 1.00 0.00 H new ATOM 0 HA SER A 6 5.220 11.322 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.046 12.486 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.321 13.636 1.368 1.00 0.00 H new ATOM 0 HG SER A 6 3.388 14.084 -0.492 1.00 0.00 H new ATOM 85 N ILE A 7 3.002 9.935 0.800 1.00 0.00 N ATOM 86 CA ILE A 7 2.114 8.920 0.254 1.00 0.00 C ATOM 87 C ILE A 7 1.168 9.578 -0.764 1.00 0.00 C ATOM 88 O ILE A 7 0.788 8.977 -1.757 1.00 0.00 O ATOM 89 CB ILE A 7 1.283 8.189 1.370 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.388 7.113 0.747 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.446 9.176 2.191 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.447 6.341 1.740 1.00 0.00 C ATOM 0 H ILE A 7 2.817 10.183 1.772 1.00 0.00 H new ATOM 0 HA ILE A 7 2.727 8.161 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 7 1.988 7.712 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.276 7.585 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.014 6.412 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.114 8.633 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.104 9.899 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.248 9.699 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.049 5.601 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.207 5.836 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.103 7.027 2.275 1.00 0.00 H new ATOM 104 N SER A 8 0.909 10.865 -0.556 1.00 0.00 N ATOM 105 CA SER A 8 -0.012 11.616 -1.375 1.00 0.00 C ATOM 106 C SER A 8 0.646 12.044 -2.696 1.00 0.00 C ATOM 107 O SER A 8 0.047 12.767 -3.500 1.00 0.00 O ATOM 108 CB SER A 8 -0.554 12.824 -0.581 1.00 0.00 C ATOM 109 OG SER A 8 -1.563 13.531 -1.298 1.00 0.00 O ATOM 0 H SER A 8 1.338 11.411 0.191 1.00 0.00 H new ATOM 0 HA SER A 8 -0.856 10.978 -1.637 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.961 12.479 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.267 13.502 -0.349 1.00 0.00 H new ATOM 0 HG SER A 8 -1.412 13.429 -2.261 1.00 0.00 H new ATOM 115 N ASP A 9 1.887 11.630 -2.897 1.00 0.00 N ATOM 116 CA ASP A 9 2.575 11.851 -4.167 1.00 0.00 C ATOM 117 C ASP A 9 2.052 10.826 -5.166 1.00 0.00 C ATOM 118 O ASP A 9 1.899 11.101 -6.362 1.00 0.00 O ATOM 119 CB ASP A 9 4.072 11.658 -3.972 1.00 0.00 C ATOM 120 CG ASP A 9 4.921 12.023 -5.177 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.930 11.292 -6.169 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.662 13.026 -5.096 1.00 0.00 O ATOM 0 H ASP A 9 2.443 11.138 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 9 2.395 12.863 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.394 12.259 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.260 10.616 -3.715 1.00 0.00 H new ATOM 127 N TYR A 10 1.742 9.654 -4.634 1.00 0.00 N ATOM 128 CA TYR A 10 1.205 8.552 -5.398 1.00 0.00 C ATOM 129 C TYR A 10 -0.274 8.759 -5.625 1.00 0.00 C ATOM 130 O TYR A 10 -0.933 9.443 -4.848 1.00 0.00 O ATOM 131 CB TYR A 10 1.351 7.227 -4.625 1.00 0.00 C ATOM 132 CG TYR A 10 2.723 6.589 -4.570 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.148 5.771 -5.603 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.571 6.740 -3.471 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.363 5.130 -5.556 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.781 6.103 -3.431 1.00 0.00 C ATOM 137 CZ TYR A 10 5.172 5.300 -4.467 1.00 0.00 C ATOM 138 OH TYR A 10 6.395 4.671 -4.416 1.00 0.00 O ATOM 0 H TYR A 10 1.860 9.444 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 10 1.753 8.509 -6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.020 7.399 -3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.663 6.505 -5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.511 5.634 -6.464 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.269 7.366 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.676 4.497 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.430 6.235 -2.578 1.00 0.00 H new ATOM 0 HH TYR A 10 6.845 4.898 -3.575 1.00 0.00 H new ATOM 148 N THR A 11 -0.790 8.197 -6.680 1.00 0.00 N ATOM 149 CA THR A 11 -2.209 8.147 -6.874 1.00 0.00 C ATOM 150 C THR A 11 -2.666 6.777 -6.370 1.00 0.00 C ATOM 151 O THR A 11 -1.808 5.972 -5.937 1.00 0.00 O ATOM 152 CB THR A 11 -2.560 8.260 -8.365 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.789 7.309 -9.114 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.307 9.652 -8.896 1.00 0.00 C ATOM 0 H THR A 11 -0.243 7.764 -7.424 1.00 0.00 H new ATOM 0 HA THR A 11 -2.692 8.969 -6.346 1.00 0.00 H new ATOM 0 HB THR A 11 -3.624 8.049 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.015 7.381 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.568 9.691 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.917 10.368 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.253 9.903 -8.772 1.00 0.00 H new ATOM 162 N GLU A 12 -3.963 6.485 -6.426 1.00 0.00 N ATOM 163 CA GLU A 12 -4.463 5.163 -6.059 1.00 0.00 C ATOM 164 C GLU A 12 -3.779 4.132 -6.938 1.00 0.00 C ATOM 165 O GLU A 12 -3.243 3.163 -6.456 1.00 0.00 O ATOM 166 CB GLU A 12 -5.991 5.066 -6.262 1.00 0.00 C ATOM 167 CG GLU A 12 -6.585 3.683 -5.961 1.00 0.00 C ATOM 168 CD GLU A 12 -8.036 3.554 -6.382 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.309 3.522 -7.605 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.933 3.455 -5.520 1.00 0.00 O ATOM 0 H GLU A 12 -4.684 7.143 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.248 4.984 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.477 5.803 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.226 5.332 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.996 2.922 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.504 3.484 -4.892 1.00 0.00 H new ATOM 177 N ALA A 13 -3.722 4.440 -8.218 1.00 0.00 N ATOM 178 CA ALA A 13 -3.182 3.541 -9.234 1.00 0.00 C ATOM 179 C ALA A 13 -1.691 3.260 -9.050 1.00 0.00 C ATOM 180 O ALA A 13 -1.265 2.106 -9.108 1.00 0.00 O ATOM 181 CB ALA A 13 -3.453 4.081 -10.625 1.00 0.00 C ATOM 0 H ALA A 13 -4.051 5.330 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.698 2.589 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.043 3.396 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.528 4.177 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.983 5.058 -10.734 1.00 0.00 H new ATOM 187 N GLU A 14 -0.909 4.299 -8.804 1.00 0.00 N ATOM 188 CA GLU A 14 0.543 4.137 -8.637 1.00 0.00 C ATOM 189 C GLU A 14 0.866 3.434 -7.345 1.00 0.00 C ATOM 190 O GLU A 14 1.849 2.694 -7.255 1.00 0.00 O ATOM 191 CB GLU A 14 1.267 5.483 -8.712 1.00 0.00 C ATOM 192 CG GLU A 14 1.092 6.227 -10.026 1.00 0.00 C ATOM 193 CD GLU A 14 1.619 5.459 -11.208 1.00 0.00 C ATOM 194 OE1 GLU A 14 2.862 5.379 -11.382 1.00 0.00 O ATOM 195 OE2 GLU A 14 0.814 4.908 -11.969 1.00 0.00 O ATOM 0 H GLU A 14 -1.243 5.259 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 14 0.898 3.518 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.910 6.118 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.331 5.318 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.034 6.439 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.604 7.187 -9.965 1.00 0.00 H new ATOM 202 N PHE A 15 0.053 3.643 -6.351 1.00 0.00 N ATOM 203 CA PHE A 15 0.252 2.979 -5.098 1.00 0.00 C ATOM 204 C PHE A 15 -0.239 1.566 -5.203 1.00 0.00 C ATOM 205 O PHE A 15 0.276 0.696 -4.600 1.00 0.00 O ATOM 206 CB PHE A 15 -0.399 3.714 -3.964 1.00 0.00 C ATOM 207 CG PHE A 15 0.157 3.316 -2.650 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.317 3.911 -2.190 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.455 2.356 -1.878 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.855 3.555 -0.988 1.00 0.00 C ATOM 211 CE2 PHE A 15 0.080 2.000 -0.672 1.00 0.00 C ATOM 212 CZ PHE A 15 1.234 2.599 -0.231 1.00 0.00 C ATOM 0 H PHE A 15 -0.753 4.267 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 15 1.319 2.965 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.266 4.787 -4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.472 3.522 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.803 4.667 -2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.361 1.882 -2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.763 4.023 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.404 1.248 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.655 2.313 0.722 1.00 0.00 H new ATOM 222 N LEU A 16 -1.234 1.362 -5.981 1.00 0.00 N ATOM 223 CA LEU A 16 -1.767 0.037 -6.245 1.00 0.00 C ATOM 224 C LEU A 16 -0.726 -0.803 -6.942 1.00 0.00 C ATOM 225 O LEU A 16 -0.725 -2.024 -6.867 1.00 0.00 O ATOM 226 CB LEU A 16 -3.025 0.221 -7.055 1.00 0.00 C ATOM 227 CG LEU A 16 -3.981 -0.886 -7.075 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.367 -0.342 -7.304 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.660 -1.840 -8.132 1.00 0.00 C ATOM 0 H LEU A 16 -1.725 2.110 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.017 -0.498 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.541 1.105 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.735 0.434 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.929 -1.402 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.083 -1.164 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.624 0.348 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.398 0.184 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.387 -2.652 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.691 -1.336 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.662 -2.245 -7.966 1.00 0.00 H new ATOM 241 N GLU A 17 0.153 -0.153 -7.582 1.00 0.00 N ATOM 242 CA GLU A 17 1.261 -0.821 -8.151 1.00 0.00 C ATOM 243 C GLU A 17 2.339 -1.154 -7.097 1.00 0.00 C ATOM 244 O GLU A 17 3.162 -2.019 -7.336 1.00 0.00 O ATOM 245 CB GLU A 17 1.821 -0.136 -9.382 1.00 0.00 C ATOM 246 CG GLU A 17 0.835 -0.091 -10.530 1.00 0.00 C ATOM 247 CD GLU A 17 1.455 0.385 -11.805 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.493 1.598 -12.041 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.924 -0.454 -12.601 1.00 0.00 O ATOM 0 H GLU A 17 0.134 0.856 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 17 0.880 -1.774 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.116 0.881 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.722 -0.658 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.417 -1.086 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.006 0.566 -10.266 1.00 0.00 H new ATOM 256 N PHE A 18 2.320 -0.455 -5.927 1.00 0.00 N ATOM 257 CA PHE A 18 3.258 -0.761 -4.782 1.00 0.00 C ATOM 258 C PHE A 18 3.135 -2.217 -4.457 1.00 0.00 C ATOM 259 O PHE A 18 4.106 -2.953 -4.401 1.00 0.00 O ATOM 260 CB PHE A 18 2.944 0.094 -3.438 1.00 0.00 C ATOM 261 CG PHE A 18 2.186 -0.620 -2.219 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.788 -0.764 -2.184 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.889 -1.124 -1.126 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.141 -1.383 -1.103 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.236 -1.736 -0.057 1.00 0.00 C ATOM 266 CZ PHE A 18 0.868 -1.864 -0.049 1.00 0.00 C ATOM 0 H PHE A 18 1.678 0.316 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 18 4.263 -0.488 -5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.894 0.471 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.351 0.961 -3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.198 -0.390 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.965 -1.038 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.935 -1.480 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.812 -2.114 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.371 -2.341 0.783 1.00 0.00 H new ATOM 276 N VAL A 19 1.920 -2.614 -4.303 1.00 0.00 N ATOM 277 CA VAL A 19 1.593 -3.934 -3.883 1.00 0.00 C ATOM 278 C VAL A 19 1.822 -4.947 -4.988 1.00 0.00 C ATOM 279 O VAL A 19 2.271 -6.060 -4.733 1.00 0.00 O ATOM 280 CB VAL A 19 0.165 -3.989 -3.298 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.875 -3.567 -4.289 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.138 -5.321 -2.659 1.00 0.00 C ATOM 0 H VAL A 19 1.108 -2.019 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 19 2.272 -4.213 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 19 0.127 -3.253 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.861 -3.624 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.681 -2.542 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.841 -4.227 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.153 -5.312 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.047 -6.111 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.567 -5.504 -1.848 1.00 0.00 H new ATOM 292 N LYS A 20 1.550 -4.545 -6.209 1.00 0.00 N ATOM 293 CA LYS A 20 1.802 -5.400 -7.347 1.00 0.00 C ATOM 294 C LYS A 20 3.308 -5.656 -7.464 1.00 0.00 C ATOM 295 O LYS A 20 3.756 -6.765 -7.752 1.00 0.00 O ATOM 296 CB LYS A 20 1.306 -4.761 -8.617 1.00 0.00 C ATOM 297 CG LYS A 20 -0.181 -4.571 -8.646 1.00 0.00 C ATOM 298 CD LYS A 20 -0.596 -4.070 -9.976 1.00 0.00 C ATOM 299 CE LYS A 20 -2.077 -3.893 -10.104 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.466 -3.596 -11.501 1.00 0.00 N ATOM 0 H LYS A 20 1.155 -3.633 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 20 1.271 -6.340 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.791 -3.793 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.603 -5.378 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.682 -5.515 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.482 -3.866 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.105 -3.116 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.252 -4.765 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.584 -4.798 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.406 -3.083 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.498 -3.479 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.001 -2.719 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.173 -4.381 -12.117 1.00 0.00 H new ATOM 314 N LYS A 21 4.074 -4.599 -7.208 1.00 0.00 N ATOM 315 CA LYS A 21 5.525 -4.638 -7.178 1.00 0.00 C ATOM 316 C LYS A 21 5.987 -5.615 -6.124 1.00 0.00 C ATOM 317 O LYS A 21 6.825 -6.430 -6.393 1.00 0.00 O ATOM 318 CB LYS A 21 6.080 -3.234 -6.878 1.00 0.00 C ATOM 319 CG LYS A 21 7.590 -3.161 -6.693 1.00 0.00 C ATOM 320 CD LYS A 21 8.037 -1.785 -6.195 1.00 0.00 C ATOM 321 CE LYS A 21 7.748 -0.660 -7.189 1.00 0.00 C ATOM 322 NZ LYS A 21 8.507 -0.800 -8.457 1.00 0.00 N ATOM 0 H LYS A 21 3.691 -3.674 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 21 5.896 -4.963 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.797 -2.567 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.600 -2.856 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.906 -3.925 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.083 -3.382 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.534 -1.566 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.107 -1.811 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.681 -0.643 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.993 0.297 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.311 0.016 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.525 -0.840 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.218 -1.674 -8.940 1.00 0.00 H new ATOM 336 N ILE A 22 5.402 -5.531 -4.938 1.00 0.00 N ATOM 337 CA ILE A 22 5.750 -6.424 -3.835 1.00 0.00 C ATOM 338 C ILE A 22 5.387 -7.869 -4.179 1.00 0.00 C ATOM 339 O ILE A 22 6.126 -8.794 -3.876 1.00 0.00 O ATOM 340 CB ILE A 22 5.076 -5.986 -2.511 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.491 -4.548 -2.190 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.485 -6.921 -1.370 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.840 -3.961 -0.975 1.00 0.00 C ATOM 0 H ILE A 22 4.678 -4.849 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 22 6.828 -6.364 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 22 3.993 -6.037 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.572 -4.519 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.260 -3.918 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.003 -6.600 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.176 -7.939 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.567 -6.890 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.196 -2.941 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.758 -3.952 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.092 -4.562 -0.101 1.00 0.00 H new ATOM 355 N CYS A 23 4.279 -8.039 -4.859 1.00 0.00 N ATOM 356 CA CYS A 23 3.842 -9.340 -5.316 1.00 0.00 C ATOM 357 C CYS A 23 4.938 -9.983 -6.210 1.00 0.00 C ATOM 358 O CYS A 23 5.245 -11.169 -6.087 1.00 0.00 O ATOM 359 CB CYS A 23 2.506 -9.186 -6.074 1.00 0.00 C ATOM 360 SG CYS A 23 1.755 -10.718 -6.670 1.00 0.00 S ATOM 0 H CYS A 23 3.651 -7.277 -5.113 1.00 0.00 H new ATOM 0 HA CYS A 23 3.681 -10.003 -4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.794 -8.686 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.669 -8.528 -6.928 1.00 0.00 H new ATOM 0 HG CYS A 23 0.642 -10.445 -7.284 1.00 0.00 H new ATOM 366 N ARG A 24 5.579 -9.168 -7.037 1.00 0.00 N ATOM 367 CA ARG A 24 6.618 -9.641 -7.945 1.00 0.00 C ATOM 368 C ARG A 24 8.046 -9.374 -7.396 1.00 0.00 C ATOM 369 O ARG A 24 9.039 -9.639 -8.074 1.00 0.00 O ATOM 370 CB ARG A 24 6.449 -9.008 -9.336 1.00 0.00 C ATOM 371 CG ARG A 24 6.724 -7.523 -9.405 1.00 0.00 C ATOM 372 CD ARG A 24 6.518 -7.004 -10.807 1.00 0.00 C ATOM 373 NE ARG A 24 6.991 -5.617 -10.955 1.00 0.00 N ATOM 374 CZ ARG A 24 6.805 -4.839 -12.036 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.059 -5.254 -13.051 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.362 -3.640 -12.088 1.00 0.00 N ATOM 0 H ARG A 24 5.396 -8.166 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 24 6.502 -10.722 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.115 -9.517 -10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.430 -9.189 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.065 -6.994 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.747 -7.323 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.047 -7.645 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.459 -7.055 -11.061 1.00 0.00 H new ATOM 0 HE ARG A 24 7.503 -5.212 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.618 -6.173 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.926 -4.654 -13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.931 -3.308 -11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.223 -3.048 -12.907 1.00 0.00 H new ATOM 390 N ALA A 25 8.136 -8.909 -6.164 1.00 0.00 N ATOM 391 CA ALA A 25 9.398 -8.410 -5.563 1.00 0.00 C ATOM 392 C ALA A 25 10.374 -9.484 -5.070 1.00 0.00 C ATOM 393 O ALA A 25 11.260 -9.155 -4.276 1.00 0.00 O ATOM 394 CB ALA A 25 9.100 -7.434 -4.442 1.00 0.00 C ATOM 0 H ALA A 25 7.338 -8.859 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 25 9.913 -7.916 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.036 -7.077 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.536 -6.588 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.513 -7.934 -3.671 1.00 0.00 H new ATOM 400 N GLU A 26 10.248 -10.718 -5.594 1.00 0.00 N ATOM 401 CA GLU A 26 11.086 -11.892 -5.204 1.00 0.00 C ATOM 402 C GLU A 26 12.564 -11.516 -4.986 1.00 0.00 C ATOM 403 O GLU A 26 13.163 -11.893 -3.966 1.00 0.00 O ATOM 404 CB GLU A 26 10.994 -12.984 -6.271 1.00 0.00 C ATOM 405 CG GLU A 26 9.587 -13.500 -6.526 1.00 0.00 C ATOM 406 CD GLU A 26 9.569 -14.605 -7.548 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.780 -15.773 -7.185 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.369 -14.327 -8.742 1.00 0.00 O ATOM 0 H GLU A 26 9.556 -10.941 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 26 10.693 -12.259 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.400 -12.596 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.625 -13.821 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.159 -13.863 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.956 -12.679 -6.868 1.00 0.00 H new ATOM 415 N GLY A 27 13.135 -10.811 -5.970 1.00 0.00 N ATOM 416 CA GLY A 27 14.479 -10.252 -5.879 1.00 0.00 C ATOM 417 C GLY A 27 15.545 -11.231 -5.439 1.00 0.00 C ATOM 418 O GLY A 27 15.681 -12.329 -5.997 1.00 0.00 O ATOM 0 H GLY A 27 12.670 -10.614 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.756 -9.848 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.463 -9.416 -5.180 1.00 0.00 H new ATOM 422 N ALA A 28 16.312 -10.830 -4.449 1.00 0.00 N ATOM 423 CA ALA A 28 17.344 -11.675 -3.902 1.00 0.00 C ATOM 424 C ALA A 28 16.744 -12.644 -2.903 1.00 0.00 C ATOM 425 O ALA A 28 16.995 -13.850 -2.954 1.00 0.00 O ATOM 426 CB ALA A 28 18.433 -10.842 -3.247 1.00 0.00 C ATOM 0 H ALA A 28 16.237 -9.915 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 28 17.796 -12.242 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.201 -11.501 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.879 -10.178 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.002 -10.248 -2.441 1.00 0.00 H new ATOM 432 N THR A 29 15.942 -12.112 -2.011 1.00 0.00 N ATOM 433 CA THR A 29 15.259 -12.858 -0.975 1.00 0.00 C ATOM 434 C THR A 29 14.108 -11.949 -0.520 1.00 0.00 C ATOM 435 O THR A 29 14.124 -10.754 -0.862 1.00 0.00 O ATOM 436 CB THR A 29 16.222 -13.145 0.237 1.00 0.00 C ATOM 437 OG1 THR A 29 17.493 -13.633 -0.242 1.00 0.00 O ATOM 438 CG2 THR A 29 15.635 -14.197 1.177 1.00 0.00 C ATOM 0 H THR A 29 15.739 -11.113 -1.984 1.00 0.00 H new ATOM 0 HA THR A 29 14.910 -13.824 -1.341 1.00 0.00 H new ATOM 0 HB THR A 29 16.350 -12.207 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.085 -13.807 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.324 -14.372 2.003 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.681 -13.843 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.480 -15.127 0.631 1.00 0.00 H new ATOM 446 N GLU A 30 13.154 -12.483 0.250 1.00 0.00 N ATOM 447 CA GLU A 30 11.977 -11.737 0.742 1.00 0.00 C ATOM 448 C GLU A 30 12.316 -10.482 1.543 1.00 0.00 C ATOM 449 O GLU A 30 11.435 -9.673 1.841 1.00 0.00 O ATOM 450 CB GLU A 30 11.059 -12.625 1.559 1.00 0.00 C ATOM 451 CG GLU A 30 11.727 -13.336 2.715 1.00 0.00 C ATOM 452 CD GLU A 30 10.730 -14.016 3.601 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.956 -14.855 3.118 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.697 -13.720 4.812 1.00 0.00 O ATOM 0 H GLU A 30 13.172 -13.456 0.556 1.00 0.00 H new ATOM 0 HA GLU A 30 11.466 -11.405 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.241 -12.018 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.616 -13.371 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.433 -14.072 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.302 -12.618 3.299 1.00 0.00 H new ATOM 461 N GLU A 31 13.573 -10.326 1.917 1.00 0.00 N ATOM 462 CA GLU A 31 14.025 -9.125 2.580 1.00 0.00 C ATOM 463 C GLU A 31 13.814 -7.919 1.662 1.00 0.00 C ATOM 464 O GLU A 31 13.583 -6.800 2.133 1.00 0.00 O ATOM 465 CB GLU A 31 15.502 -9.231 2.942 1.00 0.00 C ATOM 466 CG GLU A 31 16.426 -9.373 1.746 1.00 0.00 C ATOM 467 CD GLU A 31 17.871 -9.346 2.122 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.440 -10.400 2.391 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.474 -8.253 2.112 1.00 0.00 O ATOM 0 H GLU A 31 14.301 -11.025 1.769 1.00 0.00 H new ATOM 0 HA GLU A 31 13.447 -8.999 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.791 -8.345 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.643 -10.089 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.207 -10.309 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.224 -8.568 1.040 1.00 0.00 H new ATOM 476 N ASP A 32 13.864 -8.179 0.350 1.00 0.00 N ATOM 477 CA ASP A 32 13.708 -7.152 -0.659 1.00 0.00 C ATOM 478 C ASP A 32 12.248 -6.729 -0.685 1.00 0.00 C ATOM 479 O ASP A 32 11.942 -5.530 -0.667 1.00 0.00 O ATOM 480 CB ASP A 32 14.183 -7.668 -2.037 1.00 0.00 C ATOM 481 CG ASP A 32 14.343 -6.572 -3.087 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.199 -5.383 -2.762 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.670 -6.898 -4.267 1.00 0.00 O ATOM 0 H ASP A 32 14.015 -9.113 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 32 14.326 -6.286 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.137 -8.180 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.470 -8.407 -2.403 1.00 0.00 H new ATOM 488 N ASP A 33 11.349 -7.732 -0.648 1.00 0.00 N ATOM 489 CA ASP A 33 9.896 -7.492 -0.556 1.00 0.00 C ATOM 490 C ASP A 33 9.617 -6.682 0.689 1.00 0.00 C ATOM 491 O ASP A 33 9.015 -5.615 0.640 1.00 0.00 O ATOM 492 CB ASP A 33 9.089 -8.799 -0.372 1.00 0.00 C ATOM 493 CG ASP A 33 9.178 -9.828 -1.471 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.095 -10.656 -1.429 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.254 -9.913 -2.300 1.00 0.00 O ATOM 0 H ASP A 33 11.605 -8.719 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 33 9.603 -6.996 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.414 -9.268 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.040 -8.532 -0.244 1.00 0.00 H new ATOM 500 N ASN A 34 10.105 -7.200 1.812 1.00 0.00 N ATOM 501 CA ASN A 34 9.858 -6.652 3.129 1.00 0.00 C ATOM 502 C ASN A 34 10.346 -5.215 3.281 1.00 0.00 C ATOM 503 O ASN A 34 9.660 -4.406 3.876 1.00 0.00 O ATOM 504 CB ASN A 34 10.462 -7.567 4.198 1.00 0.00 C ATOM 505 CG ASN A 34 10.237 -7.093 5.623 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.249 -6.445 5.938 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.140 -7.434 6.488 1.00 0.00 N ATOM 0 H ASN A 34 10.696 -8.031 1.825 1.00 0.00 H new ATOM 0 HA ASN A 34 8.777 -6.611 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.038 -8.565 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.534 -7.655 4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.038 -7.161 7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.952 -7.975 6.191 1.00 0.00 H new ATOM 514 N LYS A 35 11.502 -4.874 2.727 1.00 0.00 N ATOM 515 CA LYS A 35 11.968 -3.498 2.855 1.00 0.00 C ATOM 516 C LYS A 35 11.114 -2.546 2.033 1.00 0.00 C ATOM 517 O LYS A 35 10.922 -1.387 2.429 1.00 0.00 O ATOM 518 CB LYS A 35 13.472 -3.315 2.589 1.00 0.00 C ATOM 519 CG LYS A 35 13.968 -3.760 1.228 1.00 0.00 C ATOM 520 CD LYS A 35 15.438 -3.414 1.070 1.00 0.00 C ATOM 521 CE LYS A 35 16.017 -3.903 -0.246 1.00 0.00 C ATOM 522 NZ LYS A 35 15.258 -3.418 -1.408 1.00 0.00 N ATOM 0 H LYS A 35 12.114 -5.501 2.205 1.00 0.00 H new ATOM 0 HA LYS A 35 11.841 -3.238 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.717 -2.260 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.024 -3.864 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.825 -4.834 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.386 -3.276 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.562 -2.333 1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.001 -3.851 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.053 -3.573 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.028 -4.993 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.916 -3.173 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.609 -4.162 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.711 -2.575 -1.138 1.00 0.00 H new ATOM 536 N LEU A 36 10.573 -3.042 0.912 1.00 0.00 N ATOM 537 CA LEU A 36 9.617 -2.271 0.131 1.00 0.00 C ATOM 538 C LEU A 36 8.382 -2.078 0.973 1.00 0.00 C ATOM 539 O LEU A 36 7.927 -0.958 1.167 1.00 0.00 O ATOM 540 CB LEU A 36 9.227 -2.980 -1.178 1.00 0.00 C ATOM 541 CG LEU A 36 10.329 -3.185 -2.213 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.812 -4.035 -3.350 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.802 -1.845 -2.752 1.00 0.00 C ATOM 0 H LEU A 36 10.783 -3.966 0.534 1.00 0.00 H new ATOM 0 HA LEU A 36 10.076 -1.320 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.816 -3.957 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.425 -2.409 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 36 11.168 -3.690 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.603 -4.178 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.495 -5.004 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.964 -3.537 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.588 -2.006 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.966 -1.326 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.191 -1.240 -1.933 1.00 0.00 H new ATOM 555 N VAL A 37 7.880 -3.189 1.525 1.00 0.00 N ATOM 556 CA VAL A 37 6.713 -3.175 2.404 1.00 0.00 C ATOM 557 C VAL A 37 6.911 -2.151 3.506 1.00 0.00 C ATOM 558 O VAL A 37 6.105 -1.278 3.682 1.00 0.00 O ATOM 559 CB VAL A 37 6.439 -4.559 3.080 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.215 -4.459 3.968 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.234 -5.659 2.063 1.00 0.00 C ATOM 0 H VAL A 37 8.272 -4.118 1.373 1.00 0.00 H new ATOM 0 HA VAL A 37 5.859 -2.927 1.774 1.00 0.00 H new ATOM 0 HB VAL A 37 7.317 -4.814 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.026 -5.424 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.385 -3.707 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.352 -4.173 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.047 -6.601 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.380 -5.416 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.127 -5.754 1.445 1.00 0.00 H new ATOM 571 N ARG A 38 8.030 -2.234 4.183 1.00 0.00 N ATOM 572 CA ARG A 38 8.308 -1.368 5.304 1.00 0.00 C ATOM 573 C ARG A 38 8.446 0.110 4.931 1.00 0.00 C ATOM 574 O ARG A 38 8.206 0.976 5.772 1.00 0.00 O ATOM 575 CB ARG A 38 9.492 -1.872 6.139 1.00 0.00 C ATOM 576 CG ARG A 38 9.231 -3.244 6.752 1.00 0.00 C ATOM 577 CD ARG A 38 10.294 -3.656 7.756 1.00 0.00 C ATOM 578 NE ARG A 38 11.620 -3.872 7.155 1.00 0.00 N ATOM 579 CZ ARG A 38 12.785 -3.595 7.768 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.788 -3.070 8.998 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.937 -3.873 7.163 1.00 0.00 N ATOM 0 H ARG A 38 8.772 -2.902 3.974 1.00 0.00 H new ATOM 0 HA ARG A 38 7.421 -1.417 5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.381 -1.921 5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.703 -1.156 6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.258 -3.238 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.182 -3.988 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.374 -2.887 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.976 -4.572 8.254 1.00 0.00 H new ATOM 0 HE ARG A 38 11.658 -4.257 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.906 -2.879 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.672 -2.861 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.937 -4.296 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.821 -3.663 7.627 1.00 0.00 H new ATOM 595 N GLU A 39 8.813 0.425 3.688 1.00 0.00 N ATOM 596 CA GLU A 39 8.878 1.832 3.317 1.00 0.00 C ATOM 597 C GLU A 39 7.484 2.321 2.936 1.00 0.00 C ATOM 598 O GLU A 39 7.065 3.409 3.335 1.00 0.00 O ATOM 599 CB GLU A 39 9.914 2.142 2.210 1.00 0.00 C ATOM 600 CG GLU A 39 9.545 1.713 0.804 1.00 0.00 C ATOM 601 CD GLU A 39 10.599 2.094 -0.189 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.788 3.301 -0.431 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.279 1.208 -0.740 1.00 0.00 O ATOM 0 H GLU A 39 9.058 -0.241 2.955 1.00 0.00 H new ATOM 0 HA GLU A 39 9.233 2.379 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.095 3.217 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.855 1.662 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.397 0.633 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.597 2.171 0.521 1.00 0.00 H new ATOM 610 N PHE A 40 6.746 1.479 2.220 1.00 0.00 N ATOM 611 CA PHE A 40 5.390 1.799 1.815 1.00 0.00 C ATOM 612 C PHE A 40 4.473 1.859 3.022 1.00 0.00 C ATOM 613 O PHE A 40 3.673 2.769 3.154 1.00 0.00 O ATOM 614 CB PHE A 40 4.862 0.812 0.780 1.00 0.00 C ATOM 615 CG PHE A 40 5.489 0.925 -0.594 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.248 2.029 -1.388 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.281 -0.091 -1.103 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.785 2.117 -2.656 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.828 -0.004 -2.366 1.00 0.00 C ATOM 620 CZ PHE A 40 6.579 1.099 -3.145 1.00 0.00 C ATOM 0 H PHE A 40 7.071 0.564 1.908 1.00 0.00 H new ATOM 0 HA PHE A 40 5.409 2.782 1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.020 -0.200 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.785 0.952 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.632 2.833 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.473 -0.966 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.584 2.984 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.451 -0.802 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.002 1.170 -4.136 1.00 0.00 H new ATOM 630 N GLU A 41 4.647 0.923 3.923 1.00 0.00 N ATOM 631 CA GLU A 41 3.902 0.873 5.155 1.00 0.00 C ATOM 632 C GLU A 41 4.251 1.982 6.112 1.00 0.00 C ATOM 633 O GLU A 41 3.526 2.263 7.063 1.00 0.00 O ATOM 634 CB GLU A 41 3.933 -0.507 5.786 1.00 0.00 C ATOM 635 CG GLU A 41 2.920 -1.396 5.105 1.00 0.00 C ATOM 636 CD GLU A 41 1.600 -0.691 5.113 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.058 -0.503 6.216 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.121 -0.258 4.061 1.00 0.00 O ATOM 0 H GLU A 41 5.320 0.164 3.818 1.00 0.00 H new ATOM 0 HA GLU A 41 2.861 1.060 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.930 -0.938 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.713 -0.436 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.230 -1.612 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.844 -2.352 5.623 1.00 0.00 H new ATOM 645 N ARG A 42 5.359 2.622 5.871 1.00 0.00 N ATOM 646 CA ARG A 42 5.732 3.775 6.636 1.00 0.00 C ATOM 647 C ARG A 42 4.985 4.980 6.068 1.00 0.00 C ATOM 648 O ARG A 42 4.577 5.879 6.793 1.00 0.00 O ATOM 649 CB ARG A 42 7.222 3.994 6.539 1.00 0.00 C ATOM 650 CG ARG A 42 7.763 5.052 7.473 1.00 0.00 C ATOM 651 CD ARG A 42 7.485 4.716 8.941 1.00 0.00 C ATOM 652 NE ARG A 42 8.099 5.685 9.859 1.00 0.00 N ATOM 653 CZ ARG A 42 7.577 6.083 11.034 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.347 5.725 11.389 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.266 6.897 11.827 1.00 0.00 N ATOM 0 H ARG A 42 6.025 2.361 5.144 1.00 0.00 H new ATOM 0 HA ARG A 42 5.474 3.635 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.729 3.052 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.470 4.271 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.838 5.154 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.314 6.015 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.408 4.692 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.865 3.718 9.162 1.00 0.00 H new ATOM 0 HE ARG A 42 8.994 6.089 9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.786 5.142 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.964 6.034 12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.191 7.221 11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.869 7.198 12.717 1.00 0.00 H new ATOM 669 N LEU A 43 4.814 4.960 4.766 1.00 0.00 N ATOM 670 CA LEU A 43 4.078 5.993 4.030 1.00 0.00 C ATOM 671 C LEU A 43 2.598 5.944 4.373 1.00 0.00 C ATOM 672 O LEU A 43 1.962 6.974 4.583 1.00 0.00 O ATOM 673 CB LEU A 43 4.240 5.794 2.520 1.00 0.00 C ATOM 674 CG LEU A 43 5.649 5.900 1.970 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.661 5.553 0.490 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.188 7.296 2.186 1.00 0.00 C ATOM 0 H LEU A 43 5.183 4.220 4.169 1.00 0.00 H new ATOM 0 HA LEU A 43 4.487 6.961 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.846 4.811 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.619 6.531 2.010 1.00 0.00 H new ATOM 0 HG LEU A 43 6.288 5.193 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.678 5.633 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.300 4.534 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.014 6.243 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.200 7.361 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.549 8.016 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.203 7.519 3.253 1.00 0.00 H new ATOM 688 N THR A 44 2.065 4.756 4.427 1.00 0.00 N ATOM 689 CA THR A 44 0.669 4.540 4.730 1.00 0.00 C ATOM 690 C THR A 44 0.426 4.691 6.190 1.00 0.00 C ATOM 691 O THR A 44 -0.662 5.125 6.614 1.00 0.00 O ATOM 692 CB THR A 44 0.271 3.136 4.312 1.00 0.00 C ATOM 693 OG1 THR A 44 1.154 2.232 4.936 1.00 0.00 O ATOM 694 CG2 THR A 44 0.400 3.000 2.839 1.00 0.00 C ATOM 0 H THR A 44 2.590 3.897 4.261 1.00 0.00 H new ATOM 0 HA THR A 44 0.077 5.277 4.187 1.00 0.00 H new ATOM 0 HB THR A 44 -0.760 2.933 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.320 1.472 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.114 1.992 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.252 3.723 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.433 3.186 2.546 1.00 0.00 H new ATOM 702 N GLU A 45 1.446 4.311 6.966 1.00 0.00 N ATOM 703 CA GLU A 45 1.422 4.287 8.380 1.00 0.00 C ATOM 704 C GLU A 45 0.299 3.330 8.795 1.00 0.00 C ATOM 705 O GLU A 45 -0.250 3.400 9.902 1.00 0.00 O ATOM 706 CB GLU A 45 1.199 5.691 8.924 1.00 0.00 C ATOM 707 CG GLU A 45 1.744 5.848 10.288 1.00 0.00 C ATOM 708 CD GLU A 45 3.243 5.900 10.301 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.902 4.837 10.403 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.799 7.014 10.238 1.00 0.00 O ATOM 0 H GLU A 45 2.338 4.003 6.580 1.00 0.00 H new ATOM 0 HA GLU A 45 2.371 3.940 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.669 6.416 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.132 5.911 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.347 6.761 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.406 5.018 10.909 1.00 0.00 H new ATOM 717 N HIS A 46 0.019 2.384 7.898 1.00 0.00 N ATOM 718 CA HIS A 46 -1.109 1.541 8.028 1.00 0.00 C ATOM 719 C HIS A 46 -0.810 0.380 9.002 1.00 0.00 C ATOM 720 O HIS A 46 0.265 -0.193 9.004 1.00 0.00 O ATOM 721 CB HIS A 46 -1.621 1.067 6.623 1.00 0.00 C ATOM 722 CG HIS A 46 -2.968 0.433 6.674 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.184 -0.839 7.097 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.185 0.987 6.526 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.494 -1.007 7.243 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.150 0.067 6.892 1.00 0.00 N ATOM 0 H HIS A 46 0.585 2.202 7.069 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.930 2.106 8.469 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.654 1.922 5.948 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.908 0.357 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.378 1.991 6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.956 -1.913 7.605 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.161 0.199 6.889 1.00 0.00 H new ATOM 734 N PRO A 47 -1.753 0.090 9.880 1.00 0.00 N ATOM 735 CA PRO A 47 -1.630 -0.946 10.912 1.00 0.00 C ATOM 736 C PRO A 47 -1.521 -2.337 10.386 1.00 0.00 C ATOM 737 O PRO A 47 -0.712 -3.127 10.850 1.00 0.00 O ATOM 738 CB PRO A 47 -2.933 -0.831 11.666 1.00 0.00 C ATOM 739 CG PRO A 47 -3.842 -0.026 10.837 1.00 0.00 C ATOM 740 CD PRO A 47 -3.007 0.809 9.988 1.00 0.00 C ATOM 0 HA PRO A 47 -0.720 -0.789 11.492 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.357 -1.817 11.856 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.776 -0.359 12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.486 -0.667 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.494 0.586 11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.463 0.959 9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.860 1.796 10.426 1.00 0.00 H new ATOM 748 N ASP A 48 -2.313 -2.618 9.413 1.00 0.00 N ATOM 749 CA ASP A 48 -2.435 -3.944 8.902 1.00 0.00 C ATOM 750 C ASP A 48 -1.897 -3.956 7.534 1.00 0.00 C ATOM 751 O ASP A 48 -2.173 -4.838 6.778 1.00 0.00 O ATOM 752 CB ASP A 48 -3.905 -4.406 8.834 1.00 0.00 C ATOM 753 CG ASP A 48 -4.581 -4.504 10.161 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.497 -5.570 10.801 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.216 -3.526 10.585 1.00 0.00 O ATOM 0 H ASP A 48 -2.901 -1.930 8.942 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.893 -4.616 9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.463 -3.712 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.945 -5.380 8.346 1.00 0.00 H new ATOM 760 N GLY A 49 -1.132 -2.952 7.223 1.00 0.00 N ATOM 761 CA GLY A 49 -0.637 -2.795 5.853 1.00 0.00 C ATOM 762 C GLY A 49 0.234 -3.903 5.400 1.00 0.00 C ATOM 763 O GLY A 49 0.034 -4.452 4.319 1.00 0.00 O ATOM 0 H GLY A 49 -0.830 -2.229 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.488 -2.715 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.084 -1.858 5.782 1.00 0.00 H new ATOM 767 N SER A 50 1.169 -4.262 6.214 1.00 0.00 N ATOM 768 CA SER A 50 2.032 -5.376 5.869 1.00 0.00 C ATOM 769 C SER A 50 1.184 -6.662 5.852 1.00 0.00 C ATOM 770 O SER A 50 1.323 -7.507 4.958 1.00 0.00 O ATOM 771 CB SER A 50 3.203 -5.493 6.840 1.00 0.00 C ATOM 772 OG SER A 50 3.870 -4.245 6.988 1.00 0.00 O ATOM 0 H SER A 50 1.365 -3.819 7.111 1.00 0.00 H new ATOM 0 HA SER A 50 2.464 -5.212 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.842 -5.834 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.906 -6.244 6.479 1.00 0.00 H new ATOM 0 HG SER A 50 4.615 -4.345 7.616 1.00 0.00 H new ATOM 778 N ASP A 51 0.245 -6.743 6.810 1.00 0.00 N ATOM 779 CA ASP A 51 -0.718 -7.848 6.913 1.00 0.00 C ATOM 780 C ASP A 51 -1.478 -8.014 5.615 1.00 0.00 C ATOM 781 O ASP A 51 -1.623 -9.105 5.145 1.00 0.00 O ATOM 782 CB ASP A 51 -1.747 -7.623 8.044 1.00 0.00 C ATOM 783 CG ASP A 51 -1.207 -7.762 9.446 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.592 -6.805 9.973 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.410 -8.828 10.063 1.00 0.00 O ATOM 0 H ASP A 51 0.134 -6.038 7.539 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.136 -8.742 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.171 -6.625 7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.564 -8.333 7.915 1.00 0.00 H new ATOM 790 N LEU A 52 -1.908 -6.893 5.031 1.00 0.00 N ATOM 791 CA LEU A 52 -2.697 -6.847 3.779 1.00 0.00 C ATOM 792 C LEU A 52 -2.025 -7.600 2.659 1.00 0.00 C ATOM 793 O LEU A 52 -2.677 -8.282 1.876 1.00 0.00 O ATOM 794 CB LEU A 52 -2.884 -5.388 3.303 1.00 0.00 C ATOM 795 CG LEU A 52 -3.618 -4.440 4.238 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.638 -3.040 3.660 1.00 0.00 C ATOM 797 CD2 LEU A 52 -5.025 -4.925 4.491 1.00 0.00 C ATOM 0 H LEU A 52 -1.718 -5.968 5.417 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.657 -7.309 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.898 -4.969 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.420 -5.408 2.354 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.087 -4.416 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.167 -2.373 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.615 -2.687 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.146 -3.052 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.533 -4.233 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.567 -4.978 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.992 -5.915 4.947 1.00 0.00 H new ATOM 809 N ILE A 53 -0.725 -7.500 2.620 1.00 0.00 N ATOM 810 CA ILE A 53 0.049 -8.036 1.523 1.00 0.00 C ATOM 811 C ILE A 53 0.238 -9.513 1.723 1.00 0.00 C ATOM 812 O ILE A 53 0.134 -10.319 0.792 1.00 0.00 O ATOM 813 CB ILE A 53 1.432 -7.362 1.492 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.262 -5.844 1.472 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.240 -7.835 0.279 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.541 -5.097 1.696 1.00 0.00 C ATOM 0 H ILE A 53 -0.168 -7.046 3.344 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.476 -7.849 0.587 1.00 0.00 H new ATOM 0 HB ILE A 53 1.984 -7.644 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.840 -5.546 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.543 -5.557 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.214 -7.346 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.377 -8.915 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.705 -7.581 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.346 -4.025 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.954 -5.366 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.255 -5.356 0.914 1.00 0.00 H new ATOM 828 N TYR A 54 0.483 -9.859 2.943 1.00 0.00 N ATOM 829 CA TYR A 54 0.765 -11.206 3.301 1.00 0.00 C ATOM 830 C TYR A 54 -0.508 -12.032 3.390 1.00 0.00 C ATOM 831 O TYR A 54 -0.560 -13.170 2.918 1.00 0.00 O ATOM 832 CB TYR A 54 1.541 -11.233 4.610 1.00 0.00 C ATOM 833 CG TYR A 54 2.888 -10.539 4.542 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.737 -10.732 3.459 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.300 -9.675 5.546 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.954 -10.091 3.381 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.520 -9.029 5.476 1.00 0.00 C ATOM 838 CZ TYR A 54 5.343 -9.243 4.388 1.00 0.00 C ATOM 839 OH TYR A 54 6.571 -8.612 4.312 1.00 0.00 O ATOM 0 H TYR A 54 0.493 -9.206 3.727 1.00 0.00 H new ATOM 0 HA TYR A 54 1.379 -11.657 2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.939 -10.761 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.693 -12.270 4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.437 -11.397 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.657 -9.504 6.397 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.600 -10.255 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.828 -8.361 6.267 1.00 0.00 H new ATOM 0 HH TYR A 54 6.697 -8.045 5.101 1.00 0.00 H new ATOM 849 N TYR A 55 -1.529 -11.455 3.960 1.00 0.00 N ATOM 850 CA TYR A 55 -2.788 -12.122 4.150 1.00 0.00 C ATOM 851 C TYR A 55 -3.930 -11.146 3.866 1.00 0.00 C ATOM 852 O TYR A 55 -4.217 -10.280 4.709 1.00 0.00 O ATOM 853 CB TYR A 55 -2.954 -12.586 5.615 1.00 0.00 C ATOM 854 CG TYR A 55 -1.803 -13.361 6.210 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.677 -14.724 6.012 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.849 -12.717 6.989 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.632 -15.430 6.574 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.192 -13.413 7.557 1.00 0.00 C ATOM 859 CZ TYR A 55 0.298 -14.768 7.345 1.00 0.00 C ATOM 860 OH TYR A 55 1.322 -15.464 7.932 1.00 0.00 O ATOM 0 H TYR A 55 -1.511 -10.497 4.310 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.811 -12.979 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.129 -11.706 6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.850 -13.203 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.407 -15.244 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.927 -11.652 7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.544 -16.494 6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.922 -12.899 8.165 1.00 0.00 H new ATOM 0 HH TYR A 55 1.889 -14.846 8.440 1.00 0.00 H new ATOM 870 N PRO A 56 -4.551 -11.203 2.670 1.00 0.00 N ATOM 871 CA PRO A 56 -5.776 -10.447 2.396 1.00 0.00 C ATOM 872 C PRO A 56 -6.792 -10.776 3.483 1.00 0.00 C ATOM 873 O PRO A 56 -6.922 -11.944 3.872 1.00 0.00 O ATOM 874 CB PRO A 56 -6.218 -10.980 1.039 1.00 0.00 C ATOM 875 CG PRO A 56 -4.941 -11.379 0.389 1.00 0.00 C ATOM 876 CD PRO A 56 -4.089 -11.943 1.491 1.00 0.00 C ATOM 0 HA PRO A 56 -5.655 -9.364 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.897 -11.826 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.742 -10.219 0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.113 -12.119 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.457 -10.524 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.234 -13.017 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.027 -11.783 1.304 1.00 0.00 H new ATOM 884 N ARG A 57 -7.486 -9.764 3.967 1.00 0.00 N ATOM 885 CA ARG A 57 -8.256 -9.887 5.207 1.00 0.00 C ATOM 886 C ARG A 57 -9.539 -10.745 5.121 1.00 0.00 C ATOM 887 O ARG A 57 -9.486 -11.952 4.867 1.00 0.00 O ATOM 888 CB ARG A 57 -8.544 -8.492 5.802 1.00 0.00 C ATOM 889 CG ARG A 57 -7.297 -7.626 5.976 1.00 0.00 C ATOM 890 CD ARG A 57 -7.614 -6.258 6.579 1.00 0.00 C ATOM 891 NE ARG A 57 -7.957 -6.330 7.999 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.349 -5.290 8.751 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.598 -4.104 8.198 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.514 -5.450 10.057 1.00 0.00 N ATOM 0 H ARG A 57 -7.538 -8.845 3.527 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.614 -10.453 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.250 -7.970 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.029 -8.614 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.584 -8.145 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.815 -7.490 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.754 -5.601 6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.443 -5.808 6.032 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.893 -7.241 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.491 -3.978 7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.895 -3.322 8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.343 -6.360 10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.812 -4.663 10.634 1.00 0.00 H new ATOM 908 N ASP A 58 -10.673 -10.127 5.326 1.00 0.00 N ATOM 909 CA ASP A 58 -11.931 -10.867 5.389 1.00 0.00 C ATOM 910 C ASP A 58 -12.917 -10.413 4.349 1.00 0.00 C ATOM 911 O ASP A 58 -13.191 -11.110 3.384 1.00 0.00 O ATOM 912 CB ASP A 58 -12.549 -10.765 6.793 1.00 0.00 C ATOM 913 CG ASP A 58 -13.835 -11.558 6.951 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.768 -12.746 7.296 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.943 -10.990 6.785 1.00 0.00 O ATOM 0 H ASP A 58 -10.764 -9.119 5.453 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.696 -11.910 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.823 -11.116 7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.748 -9.717 7.018 1.00 0.00 H new ATOM 920 N ASP A 59 -13.412 -9.224 4.542 1.00 0.00 N ATOM 921 CA ASP A 59 -14.465 -8.671 3.711 1.00 0.00 C ATOM 922 C ASP A 59 -13.886 -7.991 2.493 1.00 0.00 C ATOM 923 O ASP A 59 -14.535 -7.875 1.457 1.00 0.00 O ATOM 924 CB ASP A 59 -15.296 -7.678 4.533 1.00 0.00 C ATOM 925 CG ASP A 59 -16.425 -7.056 3.748 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.459 -7.723 3.542 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.317 -5.879 3.348 1.00 0.00 O ATOM 0 H ASP A 59 -13.099 -8.599 5.285 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.107 -9.482 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.706 -8.190 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.643 -6.889 4.906 1.00 0.00 H new ATOM 932 N ARG A 60 -12.644 -7.592 2.606 1.00 0.00 N ATOM 933 CA ARG A 60 -11.982 -6.890 1.570 1.00 0.00 C ATOM 934 C ARG A 60 -11.583 -7.842 0.460 1.00 0.00 C ATOM 935 O ARG A 60 -11.208 -8.994 0.720 1.00 0.00 O ATOM 936 CB ARG A 60 -10.763 -6.211 2.144 1.00 0.00 C ATOM 937 CG ARG A 60 -9.948 -5.449 1.146 1.00 0.00 C ATOM 938 CD ARG A 60 -10.677 -4.205 0.629 1.00 0.00 C ATOM 939 NE ARG A 60 -11.070 -3.285 1.710 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.977 -2.299 1.634 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.613 -2.030 0.495 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.218 -1.580 2.714 1.00 0.00 N ATOM 0 H ARG A 60 -12.071 -7.754 3.434 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.652 -6.141 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.081 -5.528 2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.130 -6.965 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.004 -5.151 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.704 -6.100 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.033 -3.678 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.566 -4.513 0.078 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.605 -3.410 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.414 -2.578 -0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.299 -1.276 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.719 -1.779 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.903 -0.825 2.682 1.00 0.00 H new ATOM 956 N GLU A 61 -11.681 -7.349 -0.745 1.00 0.00 N ATOM 957 CA GLU A 61 -11.331 -8.080 -1.939 1.00 0.00 C ATOM 958 C GLU A 61 -9.858 -8.497 -1.914 1.00 0.00 C ATOM 959 O GLU A 61 -8.984 -7.760 -1.415 1.00 0.00 O ATOM 960 CB GLU A 61 -11.613 -7.205 -3.167 1.00 0.00 C ATOM 961 CG GLU A 61 -11.343 -7.876 -4.512 1.00 0.00 C ATOM 962 CD GLU A 61 -12.082 -9.187 -4.672 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.240 -9.186 -5.141 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.514 -10.245 -4.341 1.00 0.00 O ATOM 0 H GLU A 61 -12.015 -6.403 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.934 -8.986 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.656 -6.889 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.005 -6.303 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.634 -7.199 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.272 -8.052 -4.616 1.00 0.00 H new ATOM 971 N ASP A 62 -9.600 -9.645 -2.463 1.00 0.00 N ATOM 972 CA ASP A 62 -8.277 -10.201 -2.535 1.00 0.00 C ATOM 973 C ASP A 62 -7.651 -9.720 -3.825 1.00 0.00 C ATOM 974 O ASP A 62 -7.693 -10.415 -4.841 1.00 0.00 O ATOM 975 CB ASP A 62 -8.349 -11.743 -2.541 1.00 0.00 C ATOM 976 CG ASP A 62 -6.999 -12.453 -2.448 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.105 -12.249 -3.307 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.833 -13.287 -1.528 1.00 0.00 O ATOM 0 H ASP A 62 -10.317 -10.236 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.686 -9.887 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.971 -12.066 -1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.850 -12.065 -3.454 1.00 0.00 H new ATOM 983 N SER A 63 -7.218 -8.490 -3.850 1.00 0.00 N ATOM 984 CA SER A 63 -6.564 -7.995 -5.019 1.00 0.00 C ATOM 985 C SER A 63 -5.525 -6.954 -4.639 1.00 0.00 C ATOM 986 O SER A 63 -5.585 -6.405 -3.526 1.00 0.00 O ATOM 987 CB SER A 63 -7.618 -7.398 -5.965 1.00 0.00 C ATOM 988 OG SER A 63 -8.355 -6.361 -5.331 1.00 0.00 O ATOM 0 H SER A 63 -7.306 -7.823 -3.083 1.00 0.00 H new ATOM 0 HA SER A 63 -6.049 -8.810 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.129 -7.006 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.300 -8.182 -6.294 1.00 0.00 H new ATOM 0 HG SER A 63 -9.116 -6.109 -5.895 1.00 0.00 H new ATOM 994 N PRO A 64 -4.544 -6.651 -5.550 1.00 0.00 N ATOM 995 CA PRO A 64 -3.596 -5.532 -5.363 1.00 0.00 C ATOM 996 C PRO A 64 -4.395 -4.216 -5.187 1.00 0.00 C ATOM 997 O PRO A 64 -3.957 -3.269 -4.545 1.00 0.00 O ATOM 998 CB PRO A 64 -2.781 -5.539 -6.708 1.00 0.00 C ATOM 999 CG PRO A 64 -2.874 -6.943 -7.168 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.251 -7.410 -6.789 1.00 0.00 C ATOM 0 HA PRO A 64 -2.952 -5.621 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.206 -4.850 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.746 -5.237 -6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.721 -7.012 -8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.109 -7.560 -6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.978 -7.195 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.277 -8.486 -6.616 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.603 -4.232 -5.724 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.526 -3.131 -5.653 1.00 0.00 C ATOM 1010 C GLU A 65 -7.121 -3.036 -4.247 1.00 0.00 C ATOM 1011 O GLU A 65 -7.053 -1.987 -3.600 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.635 -3.347 -6.678 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.128 -3.596 -8.093 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.240 -3.823 -9.068 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.925 -2.852 -9.435 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.443 -4.982 -9.498 1.00 0.00 O ATOM 0 H GLU A 65 -5.971 -5.036 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.003 -2.200 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.244 -4.195 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.286 -2.473 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.533 -2.743 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.468 -4.463 -8.092 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.670 -4.157 -3.778 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.291 -4.239 -2.466 1.00 0.00 C ATOM 1025 C GLY A 66 -7.336 -3.898 -1.335 1.00 0.00 C ATOM 1026 O GLY A 66 -7.733 -3.298 -0.330 1.00 0.00 O ATOM 0 H GLY A 66 -7.694 -5.032 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.144 -3.561 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.678 -5.247 -2.316 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.089 -4.270 -1.502 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.053 -3.967 -0.527 1.00 0.00 C ATOM 1032 C ILE A 67 -4.866 -2.447 -0.377 1.00 0.00 C ATOM 1033 O ILE A 67 -4.840 -1.919 0.736 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.726 -4.687 -0.902 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.921 -6.212 -0.733 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.543 -4.169 -0.075 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.755 -7.062 -1.189 1.00 0.00 C ATOM 0 H ILE A 67 -5.758 -4.791 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.367 -4.346 0.446 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.483 -4.470 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.116 -6.424 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.809 -6.513 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.636 -4.697 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.415 -3.101 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.737 -4.340 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.988 -8.115 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.570 -6.887 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.866 -6.797 -0.617 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.812 -1.750 -1.495 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.671 -0.301 -1.478 1.00 0.00 C ATOM 1051 C VAL A 68 -5.960 0.352 -0.994 1.00 0.00 C ATOM 1052 O VAL A 68 -5.941 1.384 -0.312 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.274 0.246 -2.872 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.224 1.771 -2.905 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -2.937 -0.305 -3.252 1.00 0.00 C ATOM 0 H VAL A 68 -4.863 -2.160 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.869 -0.051 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.038 -0.070 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.941 2.104 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.205 2.173 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.490 2.127 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.652 0.076 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.195 -0.000 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.988 -1.393 -3.287 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.065 -0.277 -1.318 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.370 0.200 -0.941 1.00 0.00 C ATOM 1067 C LYS A 69 -8.510 0.233 0.570 1.00 0.00 C ATOM 1068 O LYS A 69 -9.023 1.195 1.109 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.430 -0.677 -1.544 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.793 -0.049 -1.526 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.298 0.181 -2.942 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.474 1.260 -3.626 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.910 1.567 -4.995 1.00 0.00 N ATOM 0 H LYS A 69 -7.081 -1.143 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.493 1.215 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.158 -0.911 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.464 -1.621 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.488 -0.692 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.755 0.899 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.240 -0.747 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.347 0.475 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.519 2.171 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.431 0.946 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.281 2.286 -5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.874 0.703 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.884 1.930 -4.976 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.017 -0.809 1.239 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.000 -0.852 2.702 1.00 0.00 C ATOM 1089 C GLU A 70 -7.284 0.349 3.250 1.00 0.00 C ATOM 1090 O GLU A 70 -7.814 1.066 4.082 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.278 -2.092 3.188 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.146 -3.284 3.426 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.118 -3.069 4.570 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.696 -3.128 5.732 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.326 -2.851 4.317 1.00 0.00 O ATOM 0 H GLU A 70 -7.623 -1.636 0.791 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.034 -0.864 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.516 -2.359 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.759 -1.850 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.703 -3.512 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.520 -4.149 3.642 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.098 0.571 2.738 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.257 1.663 3.148 1.00 0.00 C ATOM 1104 C ILE A 71 -5.923 3.005 2.941 1.00 0.00 C ATOM 1105 O ILE A 71 -5.984 3.831 3.871 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.921 1.596 2.399 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.154 0.416 2.942 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.116 2.891 2.562 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.075 -0.075 2.060 1.00 0.00 C ATOM 0 H ILE A 71 -5.685 -0.014 2.012 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.076 1.564 4.218 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.102 1.477 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.722 0.692 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.852 -0.400 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.176 2.806 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.690 3.729 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.909 3.060 3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.578 -0.924 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.499 -0.386 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.351 0.722 1.893 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.443 3.213 1.748 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.028 4.447 1.403 1.00 0.00 C ATOM 1123 C LYS A 72 -8.287 4.697 2.189 1.00 0.00 C ATOM 1124 O LYS A 72 -8.415 5.740 2.766 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.262 4.543 -0.102 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.565 4.019 -0.650 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.489 3.852 -2.157 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.330 5.184 -2.886 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.523 6.052 -2.750 1.00 0.00 N ATOM 0 H LYS A 72 -6.461 2.515 1.004 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.326 5.237 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.177 5.592 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.452 4.011 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.801 3.062 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.373 4.705 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.649 3.203 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.392 3.354 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.458 5.707 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.140 4.996 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.429 6.872 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.375 5.513 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.603 6.381 -1.767 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.179 3.703 2.275 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.443 3.898 2.948 1.00 0.00 C ATOM 1145 C GLU A 73 -10.246 4.088 4.439 1.00 0.00 C ATOM 1146 O GLU A 73 -10.928 4.894 5.063 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.432 2.760 2.685 1.00 0.00 C ATOM 1148 CG GLU A 73 -11.832 2.596 1.230 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.414 3.852 0.642 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.519 4.263 1.049 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -11.802 4.437 -0.259 1.00 0.00 O ATOM 0 H GLU A 73 -9.040 2.770 1.888 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.876 4.807 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.993 1.826 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.330 2.932 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.959 2.299 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.560 1.789 1.147 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.293 3.369 4.996 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.988 3.477 6.397 1.00 0.00 C ATOM 1160 C TRP A 74 -8.437 4.869 6.699 1.00 0.00 C ATOM 1161 O TRP A 74 -8.905 5.539 7.621 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.015 2.370 6.783 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.530 2.367 8.195 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.098 1.763 9.267 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.340 2.966 8.657 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.312 1.952 10.374 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.225 2.692 10.018 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.366 3.707 8.033 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.151 3.135 10.769 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.299 4.160 8.747 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.189 3.871 10.114 1.00 0.00 C ATOM 0 H TRP A 74 -8.715 2.699 4.489 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.890 3.351 6.996 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.495 1.411 6.586 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.148 2.434 6.125 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.029 1.216 9.251 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.509 1.597 11.310 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.446 3.930 6.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.071 2.913 11.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.534 4.745 8.258 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.333 4.233 10.664 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.489 5.334 5.892 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.938 6.670 6.076 1.00 0.00 C ATOM 1184 C ARG A 75 -7.981 7.735 5.772 1.00 0.00 C ATOM 1185 O ARG A 75 -8.052 8.753 6.457 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.634 6.891 5.278 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.451 6.127 5.862 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.144 6.360 5.130 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.802 7.785 5.002 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.723 8.399 5.545 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.869 7.737 6.295 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.512 9.678 5.305 1.00 0.00 N ATOM 0 H ARG A 75 -7.090 4.811 5.112 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.664 6.762 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.788 6.580 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.400 7.955 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.327 6.413 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.678 5.061 5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.341 5.846 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.207 5.917 4.136 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.436 8.365 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.013 6.744 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.063 8.217 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.159 10.199 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.702 10.146 5.711 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.820 7.453 4.797 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.895 8.336 4.382 1.00 0.00 C ATOM 1208 C ALA A 76 -10.914 8.535 5.513 1.00 0.00 C ATOM 1209 O ALA A 76 -11.384 9.644 5.752 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.587 7.772 3.126 1.00 0.00 C ATOM 0 H ALA A 76 -8.775 6.587 4.259 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.466 9.309 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.392 8.441 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.861 7.688 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.998 6.787 3.348 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.180 7.473 6.259 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.199 7.493 7.296 1.00 0.00 C ATOM 1218 C ALA A 77 -11.632 8.097 8.548 1.00 0.00 C ATOM 1219 O ALA A 77 -12.334 8.743 9.333 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.708 6.084 7.570 1.00 0.00 C ATOM 0 H ALA A 77 -10.699 6.579 6.163 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.039 8.099 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.470 6.117 8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.138 5.669 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.880 5.456 7.899 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.347 7.921 8.699 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.616 8.397 9.845 1.00 0.00 C ATOM 1228 C ASN A 78 -9.209 9.851 9.717 1.00 0.00 C ATOM 1229 O ASN A 78 -8.568 10.392 10.608 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.383 7.527 10.099 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.667 6.307 10.961 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -8.574 6.368 12.177 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.989 5.204 10.351 1.00 0.00 N ATOM 0 H ASN A 78 -9.767 7.433 8.016 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.292 8.325 10.697 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.977 7.199 9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.615 8.132 10.581 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.172 4.358 10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.058 5.185 9.334 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.571 10.482 8.609 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.243 11.883 8.409 1.00 0.00 C ATOM 1242 C GLY A 79 -7.758 12.086 8.213 1.00 0.00 C ATOM 1243 O GLY A 79 -7.183 13.091 8.638 1.00 0.00 O ATOM 0 H GLY A 79 -10.087 10.050 7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.780 12.262 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.579 12.462 9.269 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.136 11.112 7.607 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.755 11.135 7.326 1.00 0.00 C ATOM 1249 C LYS A 80 -5.583 11.424 5.855 1.00 0.00 C ATOM 1250 O LYS A 80 -6.554 11.332 5.092 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.172 9.792 7.694 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.314 9.531 9.181 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.978 8.122 9.615 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.518 7.745 9.431 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.599 8.607 10.210 1.00 0.00 N ATOM 0 H LYS A 80 -7.604 10.262 7.292 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.238 11.905 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.677 9.006 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.119 9.759 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.669 10.225 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.339 9.752 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.242 8.005 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.596 7.423 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.375 6.707 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.261 7.810 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.637 8.214 10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.599 9.566 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.915 8.646 11.200 1.00 0.00 H new ATOM 1269 N SER A 81 -4.396 11.758 5.459 1.00 0.00 N ATOM 1270 CA SER A 81 -4.101 12.098 4.108 1.00 0.00 C ATOM 1271 C SER A 81 -4.245 10.886 3.178 1.00 0.00 C ATOM 1272 O SER A 81 -4.054 9.738 3.613 1.00 0.00 O ATOM 1273 CB SER A 81 -2.710 12.648 4.092 1.00 0.00 C ATOM 1274 OG SER A 81 -2.613 13.726 5.001 1.00 0.00 O ATOM 0 H SER A 81 -3.589 11.802 6.081 1.00 0.00 H new ATOM 0 HA SER A 81 -4.807 12.840 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.997 11.868 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.453 12.983 3.087 1.00 0.00 H new ATOM 0 HG SER A 81 -1.700 14.083 4.989 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.553 11.140 1.927 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.797 10.071 0.993 1.00 0.00 C ATOM 1282 C GLY A 82 -3.808 10.096 -0.131 1.00 0.00 C ATOM 1283 O GLY A 82 -2.619 10.334 0.098 1.00 0.00 O ATOM 0 H GLY A 82 -4.640 12.078 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.740 9.113 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.807 10.157 0.593 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.283 9.877 -1.334 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.453 9.869 -2.477 1.00 0.00 C ATOM 1289 C PHE A 83 -3.678 11.118 -3.297 1.00 0.00 C ATOM 1290 O PHE A 83 -4.525 11.962 -2.958 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.707 8.613 -3.322 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.364 7.346 -2.613 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.054 7.073 -2.297 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.344 6.432 -2.248 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -1.715 5.925 -1.637 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.000 5.274 -1.581 1.00 0.00 C ATOM 1297 CZ PHE A 83 -2.683 5.023 -1.275 1.00 0.00 C ATOM 0 H PHE A 83 -5.268 9.700 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.413 9.853 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.757 8.586 -3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.123 8.677 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.282 7.776 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.379 6.628 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.680 5.727 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.765 4.565 -1.299 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.412 4.118 -0.751 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.909 11.250 -4.338 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.028 12.342 -5.255 1.00 0.00 C ATOM 1309 C LYS A 84 -4.262 12.131 -6.110 1.00 0.00 C ATOM 1310 O LYS A 84 -4.636 10.985 -6.404 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.774 12.410 -6.119 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.748 13.526 -7.148 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.409 13.560 -7.884 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.123 12.267 -8.637 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.167 12.302 -9.338 1.00 0.00 N ATOM 0 H LYS A 84 -2.169 10.590 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.129 13.284 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.909 12.522 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.660 11.458 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.557 13.384 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.921 14.483 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.405 14.394 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.391 13.744 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.130 11.432 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.920 12.085 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.317 11.401 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.167 13.081 -10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.932 12.449 -8.649 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.891 13.210 -6.490 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.078 13.171 -7.252 1.00 0.00 C ATOM 1331 C GLN A 85 -5.810 12.800 -8.692 1.00 0.00 C ATOM 1332 O GLN A 85 -5.301 13.599 -9.482 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.802 14.490 -7.127 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.717 14.605 -5.906 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.014 14.374 -4.577 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.495 15.304 -3.964 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.993 13.154 -4.127 1.00 0.00 N ATOM 0 H GLN A 85 -4.574 14.153 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.723 12.386 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.064 15.291 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.397 14.649 -8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.170 15.596 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.529 13.884 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.434 12.406 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.536 12.946 -3.239 1.00 0.00 H new ATOM 1346 N GLY A 86 -6.086 11.572 -8.986 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.940 11.023 -10.281 1.00 0.00 C ATOM 1348 C GLY A 86 -6.506 9.653 -10.224 1.00 0.00 C ATOM 1349 O GLY A 86 -6.422 9.037 -9.139 1.00 0.00 O ATOM 1350 OXT GLY A 86 -7.124 9.196 -11.176 1.00 0.00 O ATOM 0 H GLY A 86 -6.433 10.903 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.464 11.629 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.891 10.997 -10.575 1.00 0.00 H new TER 1354 GLY A 86