USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 Single : A 1 MET CE :methyl 165:sc= -0.0244 (180deg=-0.31) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00992 (180deg=-0.165) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.127 USER MOD Single : A 8 ASN : amide:sc= 1.07 K(o=1.1,f=-0.068) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 52:sc= 0.432 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0.976 (180deg=0.416) USER MOD Single : A 21 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.8) USER MOD Single : A 28 TYR OH : rot 23:sc= 0.682 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.877 USER MOD Single : A 49 SER OG : rot 180:sc= -0.713 USER MOD Single : A 51 ASN : amide:sc=-0.00201 K(o=-0.002,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 141:sc= 0.00346 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.25) USER MOD Single : A 61 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.032) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 69 MET CE :methyl -158:sc= -0.948 (180deg=-1.62) USER MOD Single : A 70 CYS SG : rot 60:sc= 0.713 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.44! X(o=-0.44!,f=-0.0016) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 77 MET CE :methyl 164:sc= -0.0703 (180deg=-0.424) USER MOD Single : A 78 TYR OH : rot -14:sc= -2.3 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.369 -7.214 -1.134 1.00 0.00 N ATOM 2 CA MET A 1 12.740 -6.354 -2.172 1.00 0.00 C ATOM 3 C MET A 1 11.644 -7.116 -2.912 1.00 0.00 C ATOM 4 O MET A 1 10.530 -6.621 -3.078 1.00 0.00 O ATOM 5 CB MET A 1 13.797 -5.872 -3.169 1.00 0.00 C ATOM 6 CG MET A 1 14.843 -4.954 -2.560 1.00 0.00 C ATOM 7 SD MET A 1 16.109 -4.457 -3.746 1.00 0.00 S ATOM 8 CE MET A 1 15.151 -3.422 -4.857 1.00 0.00 C ATOM 0 H1 MET A 1 13.962 -6.629 -0.511 1.00 0.00 H new ATOM 0 H2 MET A 1 12.627 -7.678 -0.571 1.00 0.00 H new ATOM 0 H3 MET A 1 13.958 -7.938 -1.593 1.00 0.00 H new ATOM 0 HA MET A 1 12.293 -5.492 -1.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.296 -6.739 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.300 -5.349 -3.986 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.353 -4.065 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.318 -5.459 -1.718 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.826 -2.833 -5.478 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.528 -4.051 -5.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.516 -2.754 -4.275 1.00 0.00 H new ATOM 17 N GLY A 2 11.961 -8.331 -3.328 1.00 0.00 N ATOM 18 CA GLY A 2 11.009 -9.147 -4.053 1.00 0.00 C ATOM 19 C GLY A 2 11.088 -10.594 -3.629 1.00 0.00 C ATOM 20 O GLY A 2 11.326 -11.479 -4.450 1.00 0.00 O ATOM 0 H GLY A 2 12.869 -8.771 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.000 -8.771 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.201 -9.069 -5.123 1.00 0.00 H new ATOM 24 N ARG A 3 10.905 -10.827 -2.337 1.00 0.00 N ATOM 25 CA ARG A 3 10.984 -12.170 -1.768 1.00 0.00 C ATOM 26 C ARG A 3 9.867 -13.066 -2.302 1.00 0.00 C ATOM 27 O ARG A 3 10.061 -14.265 -2.514 1.00 0.00 O ATOM 28 CB ARG A 3 10.950 -12.107 -0.240 1.00 0.00 C ATOM 29 CG ARG A 3 12.158 -11.403 0.360 1.00 0.00 C ATOM 30 CD ARG A 3 12.067 -11.312 1.874 1.00 0.00 C ATOM 31 NE ARG A 3 12.119 -12.630 2.510 1.00 0.00 N ATOM 32 CZ ARG A 3 11.981 -12.835 3.818 1.00 0.00 C ATOM 33 NH1 ARG A 3 11.765 -11.815 4.637 1.00 0.00 N ATOM 34 NH2 ARG A 3 12.056 -14.066 4.303 1.00 0.00 N ATOM 0 H ARG A 3 10.699 -10.097 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 3 11.933 -12.610 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.043 -11.591 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.894 -13.120 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.065 -11.939 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.239 -10.400 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.885 -10.697 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.139 -10.813 2.151 1.00 0.00 H new ATOM 0 HE ARG A 3 12.271 -13.443 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.704 -10.867 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.660 -11.978 5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.219 -14.853 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.951 -14.227 5.305 1.00 0.00 H new ATOM 48 N LEU A 4 8.702 -12.481 -2.507 1.00 0.00 N ATOM 49 CA LEU A 4 7.567 -13.208 -3.040 1.00 0.00 C ATOM 50 C LEU A 4 7.293 -12.761 -4.463 1.00 0.00 C ATOM 51 O LEU A 4 7.453 -11.587 -4.789 1.00 0.00 O ATOM 52 CB LEU A 4 6.319 -12.982 -2.177 1.00 0.00 C ATOM 53 CG LEU A 4 6.401 -13.475 -0.731 1.00 0.00 C ATOM 54 CD1 LEU A 4 5.139 -13.097 0.026 1.00 0.00 C ATOM 55 CD2 LEU A 4 6.615 -14.982 -0.688 1.00 0.00 C ATOM 0 H LEU A 4 8.517 -11.497 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 4 7.805 -14.272 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.100 -11.914 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.475 -13.474 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 4 7.254 -12.995 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.210 -13.454 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.025 -12.013 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.275 -13.553 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.671 -15.312 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.783 -15.482 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.545 -15.232 -1.199 1.00 0.00 H new ATOM 67 N TYR A 5 6.911 -13.697 -5.315 1.00 0.00 N ATOM 68 CA TYR A 5 6.596 -13.373 -6.697 1.00 0.00 C ATOM 69 C TYR A 5 5.189 -13.836 -7.076 1.00 0.00 C ATOM 70 O TYR A 5 4.573 -13.292 -7.992 1.00 0.00 O ATOM 71 CB TYR A 5 7.643 -13.969 -7.652 1.00 0.00 C ATOM 72 CG TYR A 5 7.753 -15.479 -7.603 1.00 0.00 C ATOM 73 CD1 TYR A 5 8.548 -16.106 -6.651 1.00 0.00 C ATOM 74 CD2 TYR A 5 7.066 -16.277 -8.511 1.00 0.00 C ATOM 75 CE1 TYR A 5 8.653 -17.480 -6.604 1.00 0.00 C ATOM 76 CE2 TYR A 5 7.169 -17.651 -8.471 1.00 0.00 C ATOM 77 CZ TYR A 5 7.964 -18.248 -7.515 1.00 0.00 C ATOM 78 OH TYR A 5 8.067 -19.617 -7.471 1.00 0.00 O ATOM 0 H TYR A 5 6.812 -14.684 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 5 6.623 -12.288 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.399 -13.668 -8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.617 -13.539 -7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.093 -15.507 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.441 -15.813 -9.260 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.273 -17.951 -5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.630 -18.257 -9.184 1.00 0.00 H new ATOM 0 HH TYR A 5 7.518 -20.009 -8.182 1.00 0.00 H new ATOM 88 N SER A 6 4.682 -14.838 -6.368 1.00 0.00 N ATOM 89 CA SER A 6 3.360 -15.366 -6.639 1.00 0.00 C ATOM 90 C SER A 6 2.836 -16.126 -5.424 1.00 0.00 C ATOM 91 O SER A 6 3.549 -16.287 -4.433 1.00 0.00 O ATOM 92 CB SER A 6 3.394 -16.281 -7.872 1.00 0.00 C ATOM 93 OG SER A 6 2.085 -16.651 -8.275 1.00 0.00 O ATOM 0 H SER A 6 5.171 -15.299 -5.601 1.00 0.00 H new ATOM 0 HA SER A 6 2.686 -14.534 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.899 -15.771 -8.692 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.974 -17.176 -7.648 1.00 0.00 H new ATOM 0 HG SER A 6 2.137 -17.232 -9.063 1.00 0.00 H new ATOM 99 N GLY A 7 1.581 -16.548 -5.491 1.00 0.00 N ATOM 100 CA GLY A 7 0.977 -17.307 -4.411 1.00 0.00 C ATOM 101 C GLY A 7 0.248 -16.425 -3.422 1.00 0.00 C ATOM 102 O GLY A 7 -0.677 -16.869 -2.742 1.00 0.00 O ATOM 0 H GLY A 7 0.963 -16.376 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.280 -18.034 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.751 -17.870 -3.889 1.00 0.00 H new ATOM 106 N ASN A 8 0.652 -15.170 -3.358 1.00 0.00 N ATOM 107 CA ASN A 8 0.057 -14.210 -2.425 1.00 0.00 C ATOM 108 C ASN A 8 -0.028 -12.825 -3.059 1.00 0.00 C ATOM 109 O ASN A 8 -0.661 -11.925 -2.520 1.00 0.00 O ATOM 110 CB ASN A 8 0.893 -14.110 -1.130 1.00 0.00 C ATOM 111 CG ASN A 8 0.992 -15.413 -0.352 1.00 0.00 C ATOM 112 OD1 ASN A 8 1.893 -16.219 -0.586 1.00 0.00 O ATOM 113 ND2 ASN A 8 0.084 -15.621 0.585 1.00 0.00 N ATOM 0 H ASN A 8 1.394 -14.783 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.945 -14.566 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.898 -13.774 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.455 -13.347 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.114 -16.473 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.647 -14.929 0.749 1.00 0.00 H new ATOM 120 N LEU A 9 0.599 -12.665 -4.218 1.00 0.00 N ATOM 121 CA LEU A 9 0.682 -11.357 -4.861 1.00 0.00 C ATOM 122 C LEU A 9 -0.311 -11.186 -6.005 1.00 0.00 C ATOM 123 O LEU A 9 -0.242 -10.198 -6.736 1.00 0.00 O ATOM 124 CB LEU A 9 2.100 -11.083 -5.359 1.00 0.00 C ATOM 125 CG LEU A 9 3.195 -11.070 -4.292 1.00 0.00 C ATOM 126 CD1 LEU A 9 4.519 -10.673 -4.907 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.836 -10.136 -3.143 1.00 0.00 C ATOM 0 H LEU A 9 1.056 -13.419 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 9 0.417 -10.629 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.355 -11.838 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.105 -10.119 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 9 3.284 -12.077 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.291 -10.667 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.788 -11.388 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.434 -9.677 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.634 -10.149 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.711 -9.122 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.906 -10.468 -2.681 1.00 0.00 H new ATOM 139 N ALA A 10 -1.229 -12.134 -6.159 1.00 0.00 N ATOM 140 CA ALA A 10 -2.213 -12.081 -7.248 1.00 0.00 C ATOM 141 C ALA A 10 -2.984 -10.755 -7.236 1.00 0.00 C ATOM 142 O ALA A 10 -3.104 -10.085 -8.264 1.00 0.00 O ATOM 143 CB ALA A 10 -3.176 -13.253 -7.143 1.00 0.00 C ATOM 0 H ALA A 10 -1.317 -12.947 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.675 -12.148 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.901 -13.203 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.620 -14.188 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.699 -13.210 -6.188 1.00 0.00 H new ATOM 149 N ALA A 11 -3.494 -10.379 -6.075 1.00 0.00 N ATOM 150 CA ALA A 11 -4.221 -9.123 -5.933 1.00 0.00 C ATOM 151 C ALA A 11 -3.258 -7.953 -5.748 1.00 0.00 C ATOM 152 O ALA A 11 -3.563 -6.816 -6.108 1.00 0.00 O ATOM 153 CB ALA A 11 -5.183 -9.202 -4.759 1.00 0.00 C ATOM 0 H ALA A 11 -3.419 -10.924 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.791 -8.954 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.719 -8.258 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.896 -10.009 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.624 -9.396 -3.843 1.00 0.00 H new ATOM 159 N PHE A 12 -2.089 -8.253 -5.201 1.00 0.00 N ATOM 160 CA PHE A 12 -1.078 -7.245 -4.901 1.00 0.00 C ATOM 161 C PHE A 12 -0.619 -6.534 -6.185 1.00 0.00 C ATOM 162 O PHE A 12 -0.493 -5.307 -6.214 1.00 0.00 O ATOM 163 CB PHE A 12 0.115 -7.900 -4.189 1.00 0.00 C ATOM 164 CG PHE A 12 1.090 -6.929 -3.570 1.00 0.00 C ATOM 165 CD1 PHE A 12 2.022 -6.256 -4.346 1.00 0.00 C ATOM 166 CD2 PHE A 12 1.068 -6.691 -2.201 1.00 0.00 C ATOM 167 CE1 PHE A 12 2.912 -5.367 -3.773 1.00 0.00 C ATOM 168 CE2 PHE A 12 1.957 -5.802 -1.622 1.00 0.00 C ATOM 169 CZ PHE A 12 2.880 -5.140 -2.411 1.00 0.00 C ATOM 0 H PHE A 12 -1.813 -9.203 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.515 -6.496 -4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.263 -8.561 -3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.650 -8.524 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.053 -6.429 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.349 -7.206 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.632 -4.850 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.930 -5.626 -0.557 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.575 -4.446 -1.962 1.00 0.00 H new ATOM 179 N LYS A 13 -0.377 -7.314 -7.243 1.00 0.00 N ATOM 180 CA LYS A 13 0.075 -6.768 -8.528 1.00 0.00 C ATOM 181 C LYS A 13 -0.937 -5.795 -9.118 1.00 0.00 C ATOM 182 O LYS A 13 -0.561 -4.779 -9.706 1.00 0.00 O ATOM 183 CB LYS A 13 0.356 -7.897 -9.526 1.00 0.00 C ATOM 184 CG LYS A 13 1.508 -8.808 -9.128 1.00 0.00 C ATOM 185 CD LYS A 13 2.829 -8.060 -9.101 1.00 0.00 C ATOM 186 CE LYS A 13 3.975 -8.979 -8.713 1.00 0.00 C ATOM 187 NZ LYS A 13 5.281 -8.271 -8.713 1.00 0.00 N ATOM 0 H LYS A 13 -0.487 -8.328 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 13 0.997 -6.219 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.546 -8.499 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.573 -7.460 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.311 -9.236 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.574 -9.639 -9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.024 -7.626 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.767 -7.233 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.788 -9.394 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.018 -9.818 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.035 -8.934 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.473 -7.897 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.250 -7.486 -8.032 1.00 0.00 H new ATOM 201 N ALA A 14 -2.215 -6.102 -8.956 1.00 0.00 N ATOM 202 CA ALA A 14 -3.274 -5.241 -9.469 1.00 0.00 C ATOM 203 C ALA A 14 -3.203 -3.860 -8.820 1.00 0.00 C ATOM 204 O ALA A 14 -3.474 -2.840 -9.462 1.00 0.00 O ATOM 205 CB ALA A 14 -4.637 -5.876 -9.229 1.00 0.00 C ATOM 0 H ALA A 14 -2.545 -6.939 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.133 -5.122 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.417 -5.221 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.685 -6.839 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.786 -6.023 -8.159 1.00 0.00 H new ATOM 211 N ALA A 15 -2.841 -3.837 -7.546 1.00 0.00 N ATOM 212 CA ALA A 15 -2.688 -2.592 -6.807 1.00 0.00 C ATOM 213 C ALA A 15 -1.358 -1.906 -7.144 1.00 0.00 C ATOM 214 O ALA A 15 -1.233 -0.691 -7.027 1.00 0.00 O ATOM 215 CB ALA A 15 -2.784 -2.857 -5.311 1.00 0.00 C ATOM 0 H ALA A 15 -2.646 -4.675 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.494 -1.920 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.668 -1.919 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.756 -3.293 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.996 -3.549 -5.013 1.00 0.00 H new ATOM 221 N THR A 16 -0.383 -2.700 -7.585 1.00 0.00 N ATOM 222 CA THR A 16 0.960 -2.210 -7.907 1.00 0.00 C ATOM 223 C THR A 16 0.941 -1.123 -9.003 1.00 0.00 C ATOM 224 O THR A 16 1.639 -0.112 -8.894 1.00 0.00 O ATOM 225 CB THR A 16 1.880 -3.378 -8.349 1.00 0.00 C ATOM 226 OG1 THR A 16 1.989 -4.336 -7.280 1.00 0.00 O ATOM 227 CG2 THR A 16 3.272 -2.872 -8.711 1.00 0.00 C ATOM 0 H THR A 16 -0.501 -3.703 -7.730 1.00 0.00 H new ATOM 0 HA THR A 16 1.354 -1.760 -6.996 1.00 0.00 H new ATOM 0 HB THR A 16 1.439 -3.845 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.093 -4.590 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.896 -3.712 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.198 -2.157 -9.531 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.719 -2.385 -7.844 1.00 0.00 H new ATOM 235 N ASN A 17 0.131 -1.331 -10.034 1.00 0.00 N ATOM 236 CA ASN A 17 0.043 -0.385 -11.160 1.00 0.00 C ATOM 237 C ASN A 17 -0.372 1.012 -10.671 1.00 0.00 C ATOM 238 O ASN A 17 0.146 2.031 -11.137 1.00 0.00 O ATOM 239 CB ASN A 17 -0.963 -0.911 -12.197 1.00 0.00 C ATOM 240 CG ASN A 17 -1.141 0.016 -13.386 1.00 0.00 C ATOM 241 OD1 ASN A 17 -1.984 0.908 -13.373 1.00 0.00 O ATOM 242 ND2 ASN A 17 -0.358 -0.201 -14.428 1.00 0.00 N ATOM 0 H ASN A 17 -0.478 -2.144 -10.122 1.00 0.00 H new ATOM 0 HA ASN A 17 1.026 -0.299 -11.624 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.631 -1.887 -12.552 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.928 -1.060 -11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.443 0.383 -15.260 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.331 -0.953 -14.400 1.00 0.00 H new ATOM 249 N LYS A 18 -1.300 1.030 -9.727 1.00 0.00 N ATOM 250 CA LYS A 18 -1.793 2.273 -9.112 1.00 0.00 C ATOM 251 C LYS A 18 -0.655 3.141 -8.547 1.00 0.00 C ATOM 252 O LYS A 18 -0.709 4.372 -8.640 1.00 0.00 O ATOM 253 CB LYS A 18 -2.816 1.975 -8.006 1.00 0.00 C ATOM 254 CG LYS A 18 -4.221 1.634 -8.500 1.00 0.00 C ATOM 255 CD LYS A 18 -4.262 0.315 -9.248 1.00 0.00 C ATOM 256 CE LYS A 18 -5.683 -0.057 -9.637 1.00 0.00 C ATOM 257 NZ LYS A 18 -5.733 -1.315 -10.416 1.00 0.00 N ATOM 0 H LYS A 18 -1.739 0.187 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.279 2.837 -9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.447 1.144 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.879 2.841 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.902 1.589 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.578 2.431 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.644 0.383 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.836 -0.472 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.289 -0.163 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.122 0.750 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.636 -1.798 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.651 -1.099 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.947 -1.933 -10.129 1.00 0.00 H new ATOM 271 N LEU A 19 0.372 2.505 -7.970 1.00 0.00 N ATOM 272 CA LEU A 19 1.495 3.249 -7.373 1.00 0.00 C ATOM 273 C LEU A 19 2.199 4.088 -8.430 1.00 0.00 C ATOM 274 O LEU A 19 2.533 5.255 -8.199 1.00 0.00 O ATOM 275 CB LEU A 19 2.531 2.292 -6.742 1.00 0.00 C ATOM 276 CG LEU A 19 2.191 1.691 -5.371 1.00 0.00 C ATOM 277 CD1 LEU A 19 1.132 0.616 -5.489 1.00 0.00 C ATOM 278 CD2 LEU A 19 3.439 1.133 -4.717 1.00 0.00 C ATOM 0 H LEU A 19 0.452 1.490 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 19 1.079 3.892 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.699 1.470 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.475 2.830 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 19 1.790 2.488 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.914 0.210 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.224 1.044 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.494 -0.182 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.183 0.710 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.865 0.355 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.168 1.932 -4.584 1.00 0.00 H new ATOM 290 N PHE A 20 2.413 3.486 -9.588 1.00 0.00 N ATOM 291 CA PHE A 20 3.056 4.159 -10.700 1.00 0.00 C ATOM 292 C PHE A 20 2.221 5.344 -11.156 1.00 0.00 C ATOM 293 O PHE A 20 2.750 6.421 -11.443 1.00 0.00 O ATOM 294 CB PHE A 20 3.287 3.189 -11.864 1.00 0.00 C ATOM 295 CG PHE A 20 3.981 3.818 -13.044 1.00 0.00 C ATOM 296 CD1 PHE A 20 5.345 4.058 -13.012 1.00 0.00 C ATOM 297 CD2 PHE A 20 3.269 4.169 -14.180 1.00 0.00 C ATOM 298 CE1 PHE A 20 5.986 4.635 -14.091 1.00 0.00 C ATOM 299 CE2 PHE A 20 3.905 4.746 -15.259 1.00 0.00 C ATOM 300 CZ PHE A 20 5.263 4.980 -15.214 1.00 0.00 C ATOM 0 H PHE A 20 2.146 2.521 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 20 4.026 4.524 -10.363 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.881 2.346 -11.511 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.327 2.789 -12.189 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.914 3.791 -12.134 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.205 3.989 -14.221 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.050 4.816 -14.056 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.339 5.015 -16.139 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.761 5.434 -16.058 1.00 0.00 H new ATOM 310 N GLN A 21 0.911 5.133 -11.216 1.00 0.00 N ATOM 311 CA GLN A 21 -0.017 6.150 -11.677 1.00 0.00 C ATOM 312 C GLN A 21 0.081 7.430 -10.857 1.00 0.00 C ATOM 313 O GLN A 21 0.215 8.515 -11.423 1.00 0.00 O ATOM 314 CB GLN A 21 -1.451 5.625 -11.645 1.00 0.00 C ATOM 315 CG GLN A 21 -1.719 4.502 -12.632 1.00 0.00 C ATOM 316 CD GLN A 21 -3.133 3.968 -12.530 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.731 3.960 -11.454 1.00 0.00 O ATOM 318 NE2 GLN A 21 -3.675 3.528 -13.643 1.00 0.00 N ATOM 0 H GLN A 21 0.467 4.255 -10.947 1.00 0.00 H new ATOM 0 HA GLN A 21 0.259 6.389 -12.704 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.676 5.272 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.134 6.449 -11.853 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.542 4.863 -13.645 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.013 3.690 -12.455 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.144 3.553 -14.513 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.627 3.162 -13.637 1.00 0.00 H new ATOM 327 N LEU A 22 0.030 7.324 -9.530 1.00 0.00 N ATOM 328 CA LEU A 22 0.099 8.504 -8.662 1.00 0.00 C ATOM 329 C LEU A 22 1.530 8.942 -8.350 1.00 0.00 C ATOM 330 O LEU A 22 1.728 9.875 -7.567 1.00 0.00 O ATOM 331 CB LEU A 22 -0.662 8.240 -7.348 1.00 0.00 C ATOM 332 CG LEU A 22 -2.183 8.488 -7.357 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.487 9.965 -7.568 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.878 7.640 -8.415 1.00 0.00 C ATOM 0 H LEU A 22 -0.058 6.438 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.369 9.320 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.490 7.203 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.222 8.864 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.573 8.191 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.566 10.118 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.040 10.547 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.072 10.289 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.949 7.839 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.481 7.889 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.701 6.584 -8.209 1.00 0.00 H new ATOM 346 N ASP A 23 2.518 8.280 -8.956 1.00 0.00 N ATOM 347 CA ASP A 23 3.937 8.623 -8.735 1.00 0.00 C ATOM 348 C ASP A 23 4.328 8.452 -7.255 1.00 0.00 C ATOM 349 O ASP A 23 4.761 9.400 -6.591 1.00 0.00 O ATOM 350 CB ASP A 23 4.236 10.058 -9.231 1.00 0.00 C ATOM 351 CG ASP A 23 5.719 10.382 -9.288 1.00 0.00 C ATOM 352 OD1 ASP A 23 6.398 9.916 -10.234 1.00 0.00 O ATOM 353 OD2 ASP A 23 6.211 11.123 -8.405 1.00 0.00 O ATOM 0 H ASP A 23 2.369 7.505 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 23 4.546 7.931 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.805 10.188 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.741 10.772 -8.573 1.00 0.00 H new ATOM 358 N LEU A 24 4.137 7.249 -6.740 1.00 0.00 N ATOM 359 CA LEU A 24 4.461 6.949 -5.350 1.00 0.00 C ATOM 360 C LEU A 24 5.060 5.543 -5.226 1.00 0.00 C ATOM 361 O LEU A 24 5.143 4.814 -6.216 1.00 0.00 O ATOM 362 CB LEU A 24 3.228 7.152 -4.431 1.00 0.00 C ATOM 363 CG LEU A 24 1.983 6.299 -4.717 1.00 0.00 C ATOM 364 CD1 LEU A 24 2.111 4.920 -4.094 1.00 0.00 C ATOM 365 CD2 LEU A 24 0.734 6.998 -4.205 1.00 0.00 C ATOM 0 H LEU A 24 3.758 6.460 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 24 5.221 7.653 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.539 6.960 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.937 8.201 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 24 1.898 6.175 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.216 4.338 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.983 4.413 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.226 5.018 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.140 6.381 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.819 7.153 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.626 7.962 -4.703 1.00 0.00 H new ATOM 377 N ALA A 25 5.468 5.161 -4.017 1.00 0.00 N ATOM 378 CA ALA A 25 6.111 3.871 -3.801 1.00 0.00 C ATOM 379 C ALA A 25 5.921 3.406 -2.360 1.00 0.00 C ATOM 380 O ALA A 25 5.612 4.209 -1.480 1.00 0.00 O ATOM 381 CB ALA A 25 7.595 3.956 -4.139 1.00 0.00 C ATOM 0 H ALA A 25 5.364 5.727 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 25 5.643 3.140 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.062 2.985 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.714 4.242 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.071 4.702 -3.502 1.00 0.00 H new ATOM 387 N VAL A 26 6.104 2.111 -2.131 1.00 0.00 N ATOM 388 CA VAL A 26 5.972 1.517 -0.802 1.00 0.00 C ATOM 389 C VAL A 26 7.163 0.595 -0.535 1.00 0.00 C ATOM 390 O VAL A 26 7.709 -0.003 -1.471 1.00 0.00 O ATOM 391 CB VAL A 26 4.643 0.697 -0.674 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.604 -0.443 -1.681 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.460 0.158 0.745 1.00 0.00 C ATOM 0 H VAL A 26 6.348 1.441 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 26 5.949 2.324 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 26 3.818 1.376 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.671 -0.995 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.668 -0.039 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.445 -1.113 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.529 -0.406 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.296 -0.494 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.424 0.990 1.448 1.00 0.00 H new ATOM 403 N ILE A 27 7.580 0.495 0.715 1.00 0.00 N ATOM 404 CA ILE A 27 8.682 -0.377 1.086 1.00 0.00 C ATOM 405 C ILE A 27 8.282 -1.240 2.279 1.00 0.00 C ATOM 406 O ILE A 27 7.612 -0.760 3.203 1.00 0.00 O ATOM 407 CB ILE A 27 9.971 0.424 1.435 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.702 1.430 2.566 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.522 1.130 0.198 1.00 0.00 C ATOM 410 CD1 ILE A 27 10.944 2.138 3.067 1.00 0.00 C ATOM 0 H ILE A 27 7.170 1.010 1.494 1.00 0.00 H new ATOM 0 HA ILE A 27 8.903 -1.007 0.224 1.00 0.00 H new ATOM 0 HB ILE A 27 10.724 -0.282 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.988 2.175 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.233 0.908 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.422 1.683 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.764 0.391 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.774 1.821 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.672 2.831 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.652 1.403 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.404 2.690 2.247 1.00 0.00 H new ATOM 422 N TYR A 28 8.648 -2.512 2.243 1.00 0.00 N ATOM 423 CA TYR A 28 8.353 -3.393 3.354 1.00 0.00 C ATOM 424 C TYR A 28 9.620 -3.909 4.005 1.00 0.00 C ATOM 425 O TYR A 28 10.524 -4.415 3.339 1.00 0.00 O ATOM 426 CB TYR A 28 7.418 -4.558 2.956 1.00 0.00 C ATOM 427 CG TYR A 28 7.951 -5.497 1.884 1.00 0.00 C ATOM 428 CD1 TYR A 28 7.706 -5.259 0.535 1.00 0.00 C ATOM 429 CD2 TYR A 28 8.680 -6.635 2.226 1.00 0.00 C ATOM 430 CE1 TYR A 28 8.178 -6.121 -0.440 1.00 0.00 C ATOM 431 CE2 TYR A 28 9.149 -7.502 1.258 1.00 0.00 C ATOM 432 CZ TYR A 28 8.897 -7.242 -0.071 1.00 0.00 C ATOM 433 OH TYR A 28 9.361 -8.109 -1.041 1.00 0.00 O ATOM 0 H TYR A 28 9.143 -2.950 1.466 1.00 0.00 H new ATOM 0 HA TYR A 28 7.816 -2.793 4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.198 -5.144 3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.474 -4.139 2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.138 -4.388 0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.882 -6.843 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.985 -5.919 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.711 -8.380 1.542 1.00 0.00 H new ATOM 0 HH TYR A 28 9.430 -7.636 -1.897 1.00 0.00 H new ATOM 443 N ASP A 29 9.678 -3.739 5.299 1.00 0.00 N ATOM 444 CA ASP A 29 10.797 -4.200 6.092 1.00 0.00 C ATOM 445 C ASP A 29 10.371 -5.363 6.965 1.00 0.00 C ATOM 446 O ASP A 29 9.211 -5.432 7.393 1.00 0.00 O ATOM 447 CB ASP A 29 11.343 -3.065 6.967 1.00 0.00 C ATOM 448 CG ASP A 29 12.002 -1.953 6.168 1.00 0.00 C ATOM 449 OD1 ASP A 29 13.208 -2.067 5.861 1.00 0.00 O ATOM 450 OD2 ASP A 29 11.326 -0.947 5.874 1.00 0.00 O ATOM 0 H ASP A 29 8.948 -3.275 5.840 1.00 0.00 H new ATOM 0 HA ASP A 29 11.586 -4.529 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.527 -2.645 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.067 -3.475 7.671 1.00 0.00 H new ATOM 455 N ASP A 30 11.299 -6.269 7.236 1.00 0.00 N ATOM 456 CA ASP A 30 11.038 -7.428 8.080 1.00 0.00 C ATOM 457 C ASP A 30 12.376 -7.993 8.560 1.00 0.00 C ATOM 458 O ASP A 30 13.216 -8.378 7.749 1.00 0.00 O ATOM 459 CB ASP A 30 10.202 -8.518 7.333 1.00 0.00 C ATOM 460 CG ASP A 30 11.035 -9.529 6.546 1.00 0.00 C ATOM 461 OD1 ASP A 30 11.494 -9.203 5.425 1.00 0.00 O ATOM 462 OD2 ASP A 30 11.230 -10.666 7.050 1.00 0.00 O ATOM 0 H ASP A 30 12.253 -6.223 6.878 1.00 0.00 H new ATOM 0 HA ASP A 30 10.440 -7.116 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.596 -9.055 8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.513 -8.023 6.649 1.00 0.00 H new ATOM 467 N TRP A 31 12.595 -8.011 9.872 1.00 0.00 N ATOM 468 CA TRP A 31 13.845 -8.498 10.460 1.00 0.00 C ATOM 469 C TRP A 31 13.613 -8.749 11.936 1.00 0.00 C ATOM 470 O TRP A 31 12.963 -7.944 12.600 1.00 0.00 O ATOM 471 CB TRP A 31 14.991 -7.459 10.322 1.00 0.00 C ATOM 472 CG TRP A 31 15.635 -7.394 8.965 1.00 0.00 C ATOM 473 CD1 TRP A 31 16.389 -8.362 8.369 1.00 0.00 C ATOM 474 CD2 TRP A 31 15.592 -6.297 8.043 1.00 0.00 C ATOM 475 NE1 TRP A 31 16.805 -7.939 7.131 1.00 0.00 N ATOM 476 CE2 TRP A 31 16.332 -6.675 6.909 1.00 0.00 C ATOM 477 CE3 TRP A 31 14.995 -5.035 8.067 1.00 0.00 C ATOM 478 CZ2 TRP A 31 16.492 -5.838 5.809 1.00 0.00 C ATOM 479 CZ3 TRP A 31 15.156 -4.205 6.975 1.00 0.00 C ATOM 480 CH2 TRP A 31 15.898 -4.609 5.861 1.00 0.00 C ATOM 0 H TRP A 31 11.913 -7.689 10.559 1.00 0.00 H new ATOM 0 HA TRP A 31 14.137 -9.407 9.934 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.597 -6.473 10.567 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.759 -7.689 11.061 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.624 -9.321 8.807 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.375 -8.480 6.481 1.00 0.00 H new ATOM 0 HE3 TRP A 31 14.419 -4.714 8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.064 -6.148 4.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.700 -3.226 6.982 1.00 0.00 H new ATOM 0 HH2 TRP A 31 16.004 -3.935 5.024 1.00 0.00 H new ATOM 491 N TYR A 32 14.124 -9.845 12.452 1.00 0.00 N ATOM 492 CA TYR A 32 14.006 -10.121 13.869 1.00 0.00 C ATOM 493 C TYR A 32 15.323 -9.778 14.546 1.00 0.00 C ATOM 494 O TYR A 32 16.175 -10.638 14.776 1.00 0.00 O ATOM 495 CB TYR A 32 13.609 -11.585 14.122 1.00 0.00 C ATOM 496 CG TYR A 32 13.391 -11.920 15.582 1.00 0.00 C ATOM 497 CD1 TYR A 32 12.280 -11.442 16.266 1.00 0.00 C ATOM 498 CD2 TYR A 32 14.293 -12.716 16.275 1.00 0.00 C ATOM 499 CE1 TYR A 32 12.078 -11.745 17.598 1.00 0.00 C ATOM 500 CE2 TYR A 32 14.096 -13.024 17.604 1.00 0.00 C ATOM 501 CZ TYR A 32 12.988 -12.536 18.261 1.00 0.00 C ATOM 502 OH TYR A 32 12.793 -12.839 19.588 1.00 0.00 O ATOM 0 H TYR A 32 14.622 -10.556 11.917 1.00 0.00 H new ATOM 0 HA TYR A 32 13.213 -9.505 14.293 1.00 0.00 H new ATOM 0 HB2 TYR A 32 12.695 -11.804 13.569 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.387 -12.236 13.723 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.563 -10.823 15.747 1.00 0.00 H new ATOM 0 HD2 TYR A 32 15.164 -13.100 15.764 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.211 -11.363 18.116 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.807 -13.645 18.128 1.00 0.00 H new ATOM 0 HH TYR A 32 13.526 -13.407 19.905 1.00 0.00 H new ATOM 512 N ASP A 33 15.498 -8.503 14.822 1.00 0.00 N ATOM 513 CA ASP A 33 16.734 -8.002 15.394 1.00 0.00 C ATOM 514 C ASP A 33 16.523 -7.487 16.811 1.00 0.00 C ATOM 515 O ASP A 33 17.435 -7.540 17.641 1.00 0.00 O ATOM 516 CB ASP A 33 17.295 -6.881 14.508 1.00 0.00 C ATOM 517 CG ASP A 33 18.667 -6.409 14.936 1.00 0.00 C ATOM 518 OD1 ASP A 33 18.753 -5.469 15.758 1.00 0.00 O ATOM 519 OD2 ASP A 33 19.668 -6.968 14.446 1.00 0.00 O ATOM 0 H ASP A 33 14.792 -7.786 14.658 1.00 0.00 H new ATOM 0 HA ASP A 33 17.446 -8.826 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.345 -7.233 13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.607 -6.036 14.524 1.00 0.00 H new ATOM 524 N ALA A 34 15.315 -7.012 17.093 1.00 0.00 N ATOM 525 CA ALA A 34 15.004 -6.426 18.391 1.00 0.00 C ATOM 526 C ALA A 34 15.088 -7.449 19.521 1.00 0.00 C ATOM 527 O ALA A 34 14.208 -8.272 19.699 1.00 0.00 O ATOM 528 CB ALA A 34 13.643 -5.764 18.362 1.00 0.00 C ATOM 0 H ALA A 34 14.533 -7.022 16.438 1.00 0.00 H new ATOM 0 HA ALA A 34 15.759 -5.666 18.594 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.428 -5.332 19.339 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.637 -4.977 17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.883 -6.506 18.118 1.00 0.00 H new ATOM 534 N TYR A 35 16.198 -7.406 20.225 1.00 0.00 N ATOM 535 CA TYR A 35 16.430 -8.295 21.367 1.00 0.00 C ATOM 536 C TYR A 35 15.274 -8.247 22.386 1.00 0.00 C ATOM 537 O TYR A 35 14.786 -9.287 22.816 1.00 0.00 O ATOM 538 CB TYR A 35 17.759 -7.955 22.059 1.00 0.00 C ATOM 539 CG TYR A 35 18.075 -8.843 23.252 1.00 0.00 C ATOM 540 CD1 TYR A 35 18.566 -10.129 23.068 1.00 0.00 C ATOM 541 CD2 TYR A 35 17.887 -8.393 24.555 1.00 0.00 C ATOM 542 CE1 TYR A 35 18.859 -10.941 24.144 1.00 0.00 C ATOM 543 CE2 TYR A 35 18.179 -9.203 25.638 1.00 0.00 C ATOM 544 CZ TYR A 35 18.664 -10.474 25.426 1.00 0.00 C ATOM 545 OH TYR A 35 18.962 -11.285 26.499 1.00 0.00 O ATOM 0 H TYR A 35 16.966 -6.763 20.033 1.00 0.00 H new ATOM 0 HA TYR A 35 16.481 -9.311 20.974 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.567 -8.037 21.333 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.731 -6.916 22.388 1.00 0.00 H new ATOM 0 HD1 TYR A 35 18.721 -10.500 22.066 1.00 0.00 H new ATOM 0 HD2 TYR A 35 17.507 -7.396 24.724 1.00 0.00 H new ATOM 0 HE1 TYR A 35 19.240 -11.939 23.982 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.027 -8.840 26.644 1.00 0.00 H new ATOM 0 HH TYR A 35 18.770 -10.808 27.333 1.00 0.00 H new ATOM 555 N THR A 36 14.845 -7.054 22.762 1.00 0.00 N ATOM 556 CA THR A 36 13.779 -6.903 23.756 1.00 0.00 C ATOM 557 C THR A 36 12.358 -6.831 23.117 1.00 0.00 C ATOM 558 O THR A 36 11.359 -6.714 23.828 1.00 0.00 O ATOM 559 CB THR A 36 14.028 -5.630 24.611 1.00 0.00 C ATOM 560 OG1 THR A 36 15.423 -5.551 24.952 1.00 0.00 O ATOM 561 CG2 THR A 36 13.209 -5.656 25.896 1.00 0.00 C ATOM 0 H THR A 36 15.213 -6.174 22.399 1.00 0.00 H new ATOM 0 HA THR A 36 13.806 -7.794 24.384 1.00 0.00 H new ATOM 0 HB THR A 36 13.726 -4.763 24.023 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.583 -4.748 25.490 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.406 -4.751 26.471 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.148 -5.706 25.650 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.486 -6.529 26.487 1.00 0.00 H new ATOM 569 N ARG A 37 12.263 -6.916 21.792 1.00 0.00 N ATOM 570 CA ARG A 37 10.954 -6.773 21.125 1.00 0.00 C ATOM 571 C ARG A 37 10.719 -7.870 20.087 1.00 0.00 C ATOM 572 O ARG A 37 11.572 -8.713 19.855 1.00 0.00 O ATOM 573 CB ARG A 37 10.841 -5.408 20.440 1.00 0.00 C ATOM 574 CG ARG A 37 10.894 -4.214 21.375 1.00 0.00 C ATOM 575 CD ARG A 37 10.801 -2.918 20.591 1.00 0.00 C ATOM 576 NE ARG A 37 10.897 -1.742 21.447 1.00 0.00 N ATOM 577 CZ ARG A 37 10.949 -0.488 20.995 1.00 0.00 C ATOM 578 NH1 ARG A 37 10.890 -0.243 19.686 1.00 0.00 N ATOM 579 NH2 ARG A 37 11.061 0.516 21.853 1.00 0.00 N ATOM 0 H ARG A 37 13.051 -7.079 21.165 1.00 0.00 H new ATOM 0 HA ARG A 37 10.195 -6.861 21.902 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.647 -5.316 19.712 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.904 -5.374 19.884 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.076 -4.271 22.093 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.822 -4.234 21.947 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.597 -2.889 19.847 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.856 -2.892 20.048 1.00 0.00 H new ATOM 0 HE ARG A 37 10.926 -1.887 22.456 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.805 -1.016 19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.930 0.717 19.345 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.107 0.328 22.855 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.101 1.476 21.512 1.00 0.00 H new ATOM 593 N LYS A 38 9.535 -7.856 19.484 1.00 0.00 N ATOM 594 CA LYS A 38 9.192 -8.795 18.426 1.00 0.00 C ATOM 595 C LYS A 38 8.197 -8.160 17.446 1.00 0.00 C ATOM 596 O LYS A 38 7.149 -7.646 17.855 1.00 0.00 O ATOM 597 CB LYS A 38 8.612 -10.094 19.009 1.00 0.00 C ATOM 598 CG LYS A 38 8.183 -11.112 17.952 1.00 0.00 C ATOM 599 CD LYS A 38 7.635 -12.378 18.591 1.00 0.00 C ATOM 600 CE LYS A 38 7.144 -13.376 17.545 1.00 0.00 C ATOM 601 NZ LYS A 38 8.237 -13.856 16.655 1.00 0.00 N ATOM 0 H LYS A 38 8.791 -7.197 19.714 1.00 0.00 H new ATOM 0 HA LYS A 38 10.106 -9.043 17.886 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.357 -10.553 19.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.752 -9.848 19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.424 -10.670 17.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.034 -11.362 17.318 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.410 -12.842 19.200 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.815 -12.121 19.261 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.689 -14.229 18.048 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.366 -12.910 16.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.878 -14.616 16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.576 -13.069 16.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.022 -14.219 17.233 1.00 0.00 H new ATOM 615 N ASP A 39 8.536 -8.191 16.166 1.00 0.00 N ATOM 616 CA ASP A 39 7.676 -7.659 15.109 1.00 0.00 C ATOM 617 C ASP A 39 7.805 -8.534 13.863 1.00 0.00 C ATOM 618 O ASP A 39 8.491 -9.558 13.903 1.00 0.00 O ATOM 619 CB ASP A 39 8.030 -6.197 14.788 1.00 0.00 C ATOM 620 CG ASP A 39 9.384 -6.038 14.122 1.00 0.00 C ATOM 621 OD1 ASP A 39 10.414 -6.181 14.813 1.00 0.00 O ATOM 622 OD2 ASP A 39 9.414 -5.752 12.908 1.00 0.00 O ATOM 0 H ASP A 39 9.414 -8.585 15.826 1.00 0.00 H new ATOM 0 HA ASP A 39 6.642 -7.675 15.454 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.262 -5.779 14.137 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.017 -5.617 15.710 1.00 0.00 H new ATOM 627 N CYS A 40 7.142 -8.157 12.767 1.00 0.00 N ATOM 628 CA CYS A 40 7.194 -8.974 11.557 1.00 0.00 C ATOM 629 C CYS A 40 7.190 -8.131 10.265 1.00 0.00 C ATOM 630 O CYS A 40 8.243 -7.804 9.734 1.00 0.00 O ATOM 631 CB CYS A 40 6.044 -9.992 11.543 1.00 0.00 C ATOM 632 SG CYS A 40 6.160 -11.239 10.236 1.00 0.00 S ATOM 0 H CYS A 40 6.576 -7.312 12.693 1.00 0.00 H new ATOM 0 HA CYS A 40 8.144 -9.508 11.579 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.012 -10.498 12.508 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.102 -9.455 11.433 1.00 0.00 H new ATOM 0 HG CYS A 40 5.145 -12.047 10.316 1.00 0.00 H new ATOM 638 N ILE A 41 6.003 -7.766 9.781 1.00 0.00 N ATOM 639 CA ILE A 41 5.883 -7.038 8.511 1.00 0.00 C ATOM 640 C ILE A 41 5.594 -5.561 8.757 1.00 0.00 C ATOM 641 O ILE A 41 4.595 -5.212 9.388 1.00 0.00 O ATOM 642 CB ILE A 41 4.768 -7.657 7.620 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.073 -9.136 7.346 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.625 -6.890 6.306 1.00 0.00 C ATOM 645 CD1 ILE A 41 3.964 -9.870 6.618 1.00 0.00 C ATOM 0 H ILE A 41 5.114 -7.959 10.243 1.00 0.00 H new ATOM 0 HA ILE A 41 6.835 -7.125 7.988 1.00 0.00 H new ATOM 0 HB ILE A 41 3.822 -7.583 8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.988 -9.205 6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.266 -9.638 8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.839 -7.344 5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.367 -5.852 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.567 -6.925 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.256 -10.908 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.052 -9.835 7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.785 -9.395 5.653 1.00 0.00 H new ATOM 657 N ARG A 42 6.485 -4.700 8.278 1.00 0.00 N ATOM 658 CA ARG A 42 6.339 -3.261 8.477 1.00 0.00 C ATOM 659 C ARG A 42 6.259 -2.511 7.133 1.00 0.00 C ATOM 660 O ARG A 42 7.211 -2.534 6.351 1.00 0.00 O ATOM 661 CB ARG A 42 7.540 -2.737 9.287 1.00 0.00 C ATOM 662 CG ARG A 42 7.892 -3.600 10.499 1.00 0.00 C ATOM 663 CD ARG A 42 9.046 -3.013 11.306 1.00 0.00 C ATOM 664 NE ARG A 42 10.296 -2.919 10.534 1.00 0.00 N ATOM 665 CZ ARG A 42 11.389 -3.681 10.739 1.00 0.00 C ATOM 666 NH1 ARG A 42 11.365 -4.689 11.607 1.00 0.00 N ATOM 667 NH2 ARG A 42 12.496 -3.441 10.051 1.00 0.00 N ATOM 0 H ARG A 42 7.315 -4.972 7.750 1.00 0.00 H new ATOM 0 HA ARG A 42 5.410 -3.083 9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.409 -2.676 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.324 -1.724 9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.016 -3.699 11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.157 -4.603 10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.768 -2.020 11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.216 -3.629 12.189 1.00 0.00 H new ATOM 0 HE ARG A 42 10.338 -2.225 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.512 -4.894 12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.200 -5.257 11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.519 -2.682 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.325 -4.015 10.203 1.00 0.00 H new ATOM 681 N LEU A 43 5.120 -1.853 6.869 1.00 0.00 N ATOM 682 CA LEU A 43 4.943 -1.025 5.659 1.00 0.00 C ATOM 683 C LEU A 43 5.204 0.441 5.992 1.00 0.00 C ATOM 684 O LEU A 43 4.639 0.978 6.953 1.00 0.00 O ATOM 685 CB LEU A 43 3.491 -1.138 5.120 1.00 0.00 C ATOM 686 CG LEU A 43 3.155 -2.303 4.168 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.501 -3.641 4.785 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.673 -2.265 3.808 1.00 0.00 C ATOM 0 H LEU A 43 4.302 -1.877 7.478 1.00 0.00 H new ATOM 0 HA LEU A 43 5.645 -1.382 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.822 -1.206 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.254 -0.208 4.604 1.00 0.00 H new ATOM 0 HG LEU A 43 3.755 -2.185 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.251 -4.439 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.568 -3.674 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.934 -3.774 5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.441 -3.090 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.076 -2.357 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.442 -1.320 3.316 1.00 0.00 H new ATOM 700 N ARG A 44 6.058 1.082 5.216 1.00 0.00 N ATOM 701 CA ARG A 44 6.341 2.494 5.419 1.00 0.00 C ATOM 702 C ARG A 44 6.166 3.296 4.125 1.00 0.00 C ATOM 703 O ARG A 44 6.794 2.996 3.108 1.00 0.00 O ATOM 704 CB ARG A 44 7.763 2.676 5.974 1.00 0.00 C ATOM 705 CG ARG A 44 8.203 4.126 6.098 1.00 0.00 C ATOM 706 CD ARG A 44 9.591 4.238 6.704 1.00 0.00 C ATOM 707 NE ARG A 44 9.969 5.634 6.959 1.00 0.00 N ATOM 708 CZ ARG A 44 10.543 6.070 8.086 1.00 0.00 C ATOM 709 NH1 ARG A 44 10.799 5.225 9.083 1.00 0.00 N ATOM 710 NH2 ARG A 44 10.850 7.356 8.212 1.00 0.00 N ATOM 0 H ARG A 44 6.566 0.652 4.443 1.00 0.00 H new ATOM 0 HA ARG A 44 5.623 2.877 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.821 2.205 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.464 2.150 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.196 4.595 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.490 4.672 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.625 3.677 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.318 3.783 6.032 1.00 0.00 H new ATOM 0 HE ARG A 44 9.781 6.318 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.557 4.238 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.237 5.564 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.648 8.005 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.288 7.694 9.069 1.00 0.00 H new ATOM 724 N ILE A 45 5.285 4.297 4.166 1.00 0.00 N ATOM 725 CA ILE A 45 5.079 5.210 3.046 1.00 0.00 C ATOM 726 C ILE A 45 5.663 6.566 3.417 1.00 0.00 C ATOM 727 O ILE A 45 5.368 7.092 4.496 1.00 0.00 O ATOM 728 CB ILE A 45 3.559 5.417 2.759 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.858 4.088 2.454 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.353 6.402 1.610 1.00 0.00 C ATOM 731 CD1 ILE A 45 3.338 3.416 1.188 1.00 0.00 C ATOM 0 H ILE A 45 4.697 4.495 4.975 1.00 0.00 H new ATOM 0 HA ILE A 45 5.558 4.786 2.164 1.00 0.00 H new ATOM 0 HB ILE A 45 3.110 5.834 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.008 3.409 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.785 4.265 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.286 6.531 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.795 7.363 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.831 6.016 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.794 2.483 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.162 4.075 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.404 3.205 1.270 1.00 0.00 H new ATOM 743 N GLU A 46 6.467 7.146 2.551 1.00 0.00 N ATOM 744 CA GLU A 46 7.064 8.425 2.847 1.00 0.00 C ATOM 745 C GLU A 46 7.327 9.180 1.553 1.00 0.00 C ATOM 746 O GLU A 46 7.623 8.574 0.524 1.00 0.00 O ATOM 747 CB GLU A 46 8.357 8.254 3.651 1.00 0.00 C ATOM 748 CG GLU A 46 8.906 9.559 4.194 1.00 0.00 C ATOM 749 CD GLU A 46 10.148 9.379 5.034 1.00 0.00 C ATOM 750 OE1 GLU A 46 10.117 8.582 5.991 1.00 0.00 O ATOM 751 OE2 GLU A 46 11.154 10.061 4.751 1.00 0.00 O ATOM 0 H GLU A 46 6.719 6.754 1.644 1.00 0.00 H new ATOM 0 HA GLU A 46 6.370 9.003 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.172 7.573 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.111 7.787 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.132 10.225 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.138 10.047 4.793 1.00 0.00 H new ATOM 758 N ASP A 47 7.196 10.491 1.602 1.00 0.00 N ATOM 759 CA ASP A 47 7.397 11.330 0.428 1.00 0.00 C ATOM 760 C ASP A 47 8.868 11.739 0.310 1.00 0.00 C ATOM 761 O ASP A 47 9.656 11.521 1.231 1.00 0.00 O ATOM 762 CB ASP A 47 6.495 12.576 0.509 1.00 0.00 C ATOM 763 CG ASP A 47 6.503 13.402 -0.768 1.00 0.00 C ATOM 764 OD1 ASP A 47 5.831 13.011 -1.739 1.00 0.00 O ATOM 765 OD2 ASP A 47 7.188 14.438 -0.803 1.00 0.00 O ATOM 0 H ASP A 47 6.949 11.005 2.448 1.00 0.00 H new ATOM 0 HA ASP A 47 7.127 10.761 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.473 12.264 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.822 13.200 1.341 1.00 0.00 H new ATOM 770 N ARG A 48 9.220 12.344 -0.817 1.00 0.00 N ATOM 771 CA ARG A 48 10.582 12.810 -1.077 1.00 0.00 C ATOM 772 C ARG A 48 10.888 14.104 -0.305 1.00 0.00 C ATOM 773 O ARG A 48 11.890 14.773 -0.554 1.00 0.00 O ATOM 774 CB ARG A 48 10.803 12.996 -2.598 1.00 0.00 C ATOM 775 CG ARG A 48 9.780 13.900 -3.304 1.00 0.00 C ATOM 776 CD ARG A 48 10.060 15.376 -3.069 1.00 0.00 C ATOM 777 NE ARG A 48 9.103 16.243 -3.754 1.00 0.00 N ATOM 778 CZ ARG A 48 9.435 17.156 -4.671 1.00 0.00 C ATOM 779 NH1 ARG A 48 10.707 17.314 -5.033 1.00 0.00 N ATOM 780 NH2 ARG A 48 8.495 17.908 -5.228 1.00 0.00 N ATOM 0 H ARG A 48 8.569 12.527 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 48 11.278 12.051 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.799 13.410 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.786 12.015 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.794 13.695 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.778 13.660 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.031 15.582 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.068 15.610 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 48 8.116 16.144 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.433 16.736 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.955 18.013 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.519 17.789 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.748 18.605 -5.928 1.00 0.00 H new ATOM 794 N SER A 49 10.024 14.440 0.626 1.00 0.00 N ATOM 795 CA SER A 49 10.167 15.635 1.418 1.00 0.00 C ATOM 796 C SER A 49 9.954 15.306 2.892 1.00 0.00 C ATOM 797 O SER A 49 9.401 14.251 3.226 1.00 0.00 O ATOM 798 CB SER A 49 9.180 16.707 0.953 1.00 0.00 C ATOM 799 OG SER A 49 9.454 17.090 -0.383 1.00 0.00 O ATOM 0 H SER A 49 9.198 13.887 0.854 1.00 0.00 H new ATOM 0 HA SER A 49 11.176 16.028 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.161 16.327 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.244 17.577 1.607 1.00 0.00 H new ATOM 0 HG SER A 49 8.812 17.775 -0.665 1.00 0.00 H new ATOM 805 N GLY A 50 10.408 16.198 3.754 1.00 0.00 N ATOM 806 CA GLY A 50 10.280 16.010 5.198 1.00 0.00 C ATOM 807 C GLY A 50 8.844 16.157 5.697 1.00 0.00 C ATOM 808 O GLY A 50 8.569 16.975 6.574 1.00 0.00 O ATOM 0 H GLY A 50 10.871 17.065 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.651 15.020 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.912 16.735 5.710 1.00 0.00 H new ATOM 812 N ASN A 51 7.932 15.365 5.138 1.00 0.00 N ATOM 813 CA ASN A 51 6.522 15.427 5.519 1.00 0.00 C ATOM 814 C ASN A 51 6.068 14.163 6.252 1.00 0.00 C ATOM 815 O ASN A 51 5.033 14.183 6.896 1.00 0.00 O ATOM 816 CB ASN A 51 5.616 15.665 4.294 1.00 0.00 C ATOM 817 CG ASN A 51 5.740 17.067 3.707 1.00 0.00 C ATOM 818 OD1 ASN A 51 6.799 17.691 3.762 1.00 0.00 O ATOM 819 ND2 ASN A 51 4.653 17.571 3.148 1.00 0.00 N ATOM 0 H ASN A 51 8.144 14.673 4.420 1.00 0.00 H new ATOM 0 HA ASN A 51 6.427 16.272 6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.862 14.934 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.579 15.490 4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.675 18.507 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.793 17.024 3.121 1.00 0.00 H new ATOM 826 N LEU A 52 6.870 13.068 6.149 1.00 0.00 N ATOM 827 CA LEU A 52 6.560 11.741 6.790 1.00 0.00 C ATOM 828 C LEU A 52 5.071 11.341 6.652 1.00 0.00 C ATOM 829 O LEU A 52 4.221 11.777 7.429 1.00 0.00 O ATOM 830 CB LEU A 52 7.027 11.674 8.275 1.00 0.00 C ATOM 831 CG LEU A 52 6.577 12.811 9.215 1.00 0.00 C ATOM 832 CD1 LEU A 52 6.437 12.293 10.638 1.00 0.00 C ATOM 833 CD2 LEU A 52 7.578 13.962 9.187 1.00 0.00 C ATOM 0 H LEU A 52 7.745 13.070 5.625 1.00 0.00 H new ATOM 0 HA LEU A 52 7.140 11.005 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.677 10.731 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.116 11.642 8.284 1.00 0.00 H new ATOM 0 HG LEU A 52 5.611 13.176 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.119 13.105 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.695 11.495 10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.397 11.907 10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.241 14.753 9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.555 13.603 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.654 14.353 8.173 1.00 0.00 H new ATOM 845 N ILE A 53 4.771 10.473 5.682 1.00 0.00 N ATOM 846 CA ILE A 53 3.376 10.142 5.377 1.00 0.00 C ATOM 847 C ILE A 53 2.739 9.184 6.397 1.00 0.00 C ATOM 848 O ILE A 53 1.825 9.584 7.115 1.00 0.00 O ATOM 849 CB ILE A 53 3.227 9.547 3.952 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.857 10.480 2.907 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.756 9.294 3.624 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.263 11.879 2.880 1.00 0.00 C ATOM 0 H ILE A 53 5.461 9.994 5.103 1.00 0.00 H new ATOM 0 HA ILE A 53 2.840 11.090 5.434 1.00 0.00 H new ATOM 0 HB ILE A 53 3.754 8.593 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.927 10.556 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.744 10.031 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.674 8.877 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.338 8.591 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.206 10.234 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.764 12.472 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.199 11.818 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.400 12.351 3.853 1.00 0.00 H new ATOM 864 N ASP A 54 3.223 7.934 6.482 1.00 0.00 N ATOM 865 CA ASP A 54 2.611 6.970 7.417 1.00 0.00 C ATOM 866 C ASP A 54 3.458 5.699 7.592 1.00 0.00 C ATOM 867 O ASP A 54 4.355 5.414 6.792 1.00 0.00 O ATOM 868 CB ASP A 54 1.191 6.591 6.939 1.00 0.00 C ATOM 869 CG ASP A 54 0.386 5.840 7.992 1.00 0.00 C ATOM 870 OD1 ASP A 54 -0.158 6.494 8.911 1.00 0.00 O ATOM 871 OD2 ASP A 54 0.292 4.604 7.910 1.00 0.00 O ATOM 0 H ASP A 54 4.007 7.574 5.938 1.00 0.00 H new ATOM 0 HA ASP A 54 2.556 7.461 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.655 7.498 6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.268 5.976 6.042 1.00 0.00 H new ATOM 876 N THR A 55 3.133 4.943 8.636 1.00 0.00 N ATOM 877 CA THR A 55 3.800 3.694 8.968 1.00 0.00 C ATOM 878 C THR A 55 2.772 2.699 9.517 1.00 0.00 C ATOM 879 O THR A 55 1.858 3.090 10.242 1.00 0.00 O ATOM 880 CB THR A 55 4.910 3.909 10.028 1.00 0.00 C ATOM 881 OG1 THR A 55 4.392 4.668 11.128 1.00 0.00 O ATOM 882 CG2 THR A 55 6.118 4.625 9.434 1.00 0.00 C ATOM 0 H THR A 55 2.385 5.188 9.285 1.00 0.00 H new ATOM 0 HA THR A 55 4.261 3.306 8.060 1.00 0.00 H new ATOM 0 HB THR A 55 5.235 2.929 10.377 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.097 4.799 11.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.877 4.759 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.530 4.029 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.812 5.599 9.052 1.00 0.00 H new ATOM 890 N SER A 56 2.910 1.429 9.172 1.00 0.00 N ATOM 891 CA SER A 56 1.985 0.409 9.657 1.00 0.00 C ATOM 892 C SER A 56 2.712 -0.919 9.909 1.00 0.00 C ATOM 893 O SER A 56 3.455 -1.397 9.055 1.00 0.00 O ATOM 894 CB SER A 56 0.840 0.213 8.651 1.00 0.00 C ATOM 895 OG SER A 56 0.109 1.421 8.456 1.00 0.00 O ATOM 0 H SER A 56 3.648 1.078 8.562 1.00 0.00 H new ATOM 0 HA SER A 56 1.568 0.748 10.605 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.245 -0.127 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.168 -0.567 9.009 1.00 0.00 H new ATOM 0 HG SER A 56 -0.133 1.508 7.510 1.00 0.00 H new ATOM 901 N THR A 57 2.495 -1.505 11.082 1.00 0.00 N ATOM 902 CA THR A 57 3.121 -2.774 11.445 1.00 0.00 C ATOM 903 C THR A 57 2.057 -3.878 11.532 1.00 0.00 C ATOM 904 O THR A 57 1.034 -3.709 12.209 1.00 0.00 O ATOM 905 CB THR A 57 3.846 -2.648 12.805 1.00 0.00 C ATOM 906 OG1 THR A 57 4.774 -1.552 12.757 1.00 0.00 O ATOM 907 CG2 THR A 57 4.596 -3.930 13.146 1.00 0.00 C ATOM 0 H THR A 57 1.886 -1.119 11.803 1.00 0.00 H new ATOM 0 HA THR A 57 3.850 -3.032 10.677 1.00 0.00 H new ATOM 0 HB THR A 57 3.097 -2.469 13.576 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.231 -1.472 13.620 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.097 -3.814 14.107 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.891 -4.760 13.202 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.337 -4.135 12.373 1.00 0.00 H new ATOM 915 N PHE A 58 2.298 -5.002 10.858 1.00 0.00 N ATOM 916 CA PHE A 58 1.314 -6.078 10.812 1.00 0.00 C ATOM 917 C PHE A 58 1.900 -7.436 11.228 1.00 0.00 C ATOM 918 O PHE A 58 2.920 -7.880 10.695 1.00 0.00 O ATOM 919 CB PHE A 58 0.721 -6.201 9.402 1.00 0.00 C ATOM 920 CG PHE A 58 -0.031 -4.988 8.932 1.00 0.00 C ATOM 921 CD1 PHE A 58 -1.310 -4.728 9.393 1.00 0.00 C ATOM 922 CD2 PHE A 58 0.545 -4.109 8.027 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.004 -3.614 8.960 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.145 -2.996 7.590 1.00 0.00 C ATOM 925 CZ PHE A 58 -1.420 -2.745 8.057 1.00 0.00 C ATOM 0 H PHE A 58 3.158 -5.189 10.342 1.00 0.00 H new ATOM 0 HA PHE A 58 0.536 -5.815 11.529 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.528 -6.407 8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.051 -7.060 9.378 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.771 -5.403 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.543 -4.297 7.660 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.002 -3.422 9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.313 -2.321 6.882 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.959 -1.873 7.718 1.00 0.00 H new ATOM 935 N TYR A 59 1.252 -8.061 12.205 1.00 0.00 N ATOM 936 CA TYR A 59 1.550 -9.432 12.628 1.00 0.00 C ATOM 937 C TYR A 59 0.352 -9.992 13.392 1.00 0.00 C ATOM 938 O TYR A 59 -0.052 -9.435 14.414 1.00 0.00 O ATOM 939 CB TYR A 59 2.870 -9.538 13.447 1.00 0.00 C ATOM 940 CG TYR A 59 2.941 -8.703 14.715 1.00 0.00 C ATOM 941 CD1 TYR A 59 2.499 -9.206 15.936 1.00 0.00 C ATOM 942 CD2 TYR A 59 3.473 -7.422 14.692 1.00 0.00 C ATOM 943 CE1 TYR A 59 2.580 -8.455 17.091 1.00 0.00 C ATOM 944 CE2 TYR A 59 3.559 -6.665 15.841 1.00 0.00 C ATOM 945 CZ TYR A 59 3.110 -7.184 17.038 1.00 0.00 C ATOM 946 OH TYR A 59 3.195 -6.426 18.189 1.00 0.00 O ATOM 0 H TYR A 59 0.495 -7.628 12.734 1.00 0.00 H new ATOM 0 HA TYR A 59 1.719 -10.037 11.737 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.024 -10.583 13.716 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.699 -9.250 12.800 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.085 -10.203 15.980 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.826 -7.011 13.758 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.231 -8.860 18.029 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.976 -5.670 15.804 1.00 0.00 H new ATOM 0 HH TYR A 59 3.593 -5.556 17.979 1.00 0.00 H new ATOM 956 N HIS A 60 -0.232 -11.074 12.891 1.00 0.00 N ATOM 957 CA HIS A 60 -1.446 -11.618 13.497 1.00 0.00 C ATOM 958 C HIS A 60 -1.748 -13.025 12.925 1.00 0.00 C ATOM 959 O HIS A 60 -0.857 -13.869 12.821 1.00 0.00 O ATOM 960 CB HIS A 60 -2.625 -10.641 13.213 1.00 0.00 C ATOM 961 CG HIS A 60 -3.757 -10.693 14.215 1.00 0.00 C ATOM 962 ND1 HIS A 60 -3.712 -10.057 15.434 1.00 0.00 N ATOM 963 CD2 HIS A 60 -4.973 -11.290 14.156 1.00 0.00 C ATOM 964 CE1 HIS A 60 -4.841 -10.261 16.080 1.00 0.00 C ATOM 965 NE2 HIS A 60 -5.625 -11.007 15.323 1.00 0.00 N ATOM 0 H HIS A 60 0.108 -11.588 12.078 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.310 -11.719 14.574 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.234 -9.624 13.182 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.026 -10.858 12.223 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.356 -11.881 13.337 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.085 -9.883 17.062 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.564 -11.321 15.569 1.00 0.00 H new ATOM 973 N HIS A 61 -3.008 -13.245 12.564 1.00 0.00 N ATOM 974 CA HIS A 61 -3.497 -14.505 11.998 1.00 0.00 C ATOM 975 C HIS A 61 -2.816 -14.806 10.663 1.00 0.00 C ATOM 976 O HIS A 61 -2.124 -13.945 10.122 1.00 0.00 O ATOM 977 CB HIS A 61 -5.025 -14.508 11.857 1.00 0.00 C ATOM 978 CG HIS A 61 -5.628 -15.871 12.061 1.00 0.00 C ATOM 979 ND1 HIS A 61 -6.404 -16.517 11.122 1.00 0.00 N ATOM 980 CD2 HIS A 61 -5.558 -16.713 13.123 1.00 0.00 C ATOM 981 CE1 HIS A 61 -6.785 -17.689 11.599 1.00 0.00 C ATOM 982 NE2 HIS A 61 -6.284 -17.829 12.809 1.00 0.00 N ATOM 0 H HIS A 61 -3.737 -12.538 12.658 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.236 -15.301 12.695 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.453 -13.815 12.581 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.294 -14.141 10.866 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.027 -16.535 14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.403 -18.410 11.084 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.416 -18.639 13.414 1.00 0.00 H new ATOM 990 N ASP A 62 -2.981 -16.061 10.181 1.00 0.00 N ATOM 991 CA ASP A 62 -2.327 -16.590 8.948 1.00 0.00 C ATOM 992 C ASP A 62 -2.281 -15.547 7.803 1.00 0.00 C ATOM 993 O ASP A 62 -2.990 -14.528 7.825 1.00 0.00 O ATOM 994 CB ASP A 62 -3.099 -17.840 8.478 1.00 0.00 C ATOM 995 CG ASP A 62 -2.413 -18.605 7.357 1.00 0.00 C ATOM 996 OD1 ASP A 62 -2.628 -18.266 6.176 1.00 0.00 O ATOM 997 OD2 ASP A 62 -1.672 -19.562 7.655 1.00 0.00 O ATOM 0 H ASP A 62 -3.579 -16.748 10.640 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.294 -16.837 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.239 -18.509 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.091 -17.537 8.143 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.541 -15.867 6.749 1.00 0.00 N ATOM 1003 CA GLU A 63 -1.158 -14.893 5.749 1.00 0.00 C ATOM 1004 C GLU A 63 -2.336 -14.482 4.884 1.00 0.00 C ATOM 1005 O GLU A 63 -2.334 -13.398 4.301 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.030 -15.475 4.891 1.00 0.00 C ATOM 1007 CG GLU A 63 -0.374 -16.817 4.248 1.00 0.00 C ATOM 1008 CD GLU A 63 0.807 -17.465 3.573 1.00 0.00 C ATOM 1009 OE1 GLU A 63 1.776 -17.815 4.276 1.00 0.00 O ATOM 1010 OE2 GLU A 63 0.763 -17.658 2.344 1.00 0.00 O ATOM 0 H GLU A 63 -1.193 -16.809 6.568 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.808 -13.993 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.223 -14.761 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.859 -15.597 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.764 -17.490 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.169 -16.670 3.516 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.339 -15.346 4.817 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.534 -15.075 4.026 1.00 0.00 C ATOM 1019 C ASP A 64 -5.159 -13.761 4.478 1.00 0.00 C ATOM 1020 O ASP A 64 -5.414 -12.866 3.673 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.541 -16.223 4.209 1.00 0.00 C ATOM 1022 CG ASP A 64 -6.811 -16.049 3.393 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -7.599 -15.133 3.685 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -7.027 -16.843 2.449 1.00 0.00 O ATOM 0 H ASP A 64 -3.350 -16.243 5.302 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.264 -14.998 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.064 -17.162 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.804 -16.301 5.264 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.362 -13.649 5.778 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.941 -12.458 6.374 1.00 0.00 C ATOM 1031 C VAL A 65 -4.969 -11.267 6.300 1.00 0.00 C ATOM 1032 O VAL A 65 -5.359 -10.147 5.957 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.335 -12.718 7.853 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -6.912 -11.466 8.497 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.323 -13.872 7.946 1.00 0.00 C ATOM 0 H VAL A 65 -5.130 -14.380 6.450 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.837 -12.211 5.804 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.431 -12.989 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.179 -11.679 9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.170 -10.668 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.802 -11.153 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.588 -14.041 8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.221 -13.629 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.868 -14.774 7.537 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.696 -11.536 6.601 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.657 -10.499 6.669 1.00 0.00 C ATOM 1047 C LEU A 66 -2.487 -9.793 5.305 1.00 0.00 C ATOM 1048 O LEU A 66 -2.469 -8.563 5.227 1.00 0.00 O ATOM 1049 CB LEU A 66 -1.326 -11.164 7.107 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.253 -10.269 7.767 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.247 -9.189 6.825 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.783 -9.661 9.058 1.00 0.00 C ATOM 0 H LEU A 66 -3.355 -12.475 6.804 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.950 -9.739 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.567 -11.967 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.879 -11.629 6.228 1.00 0.00 H new ATOM 0 HG LEU A 66 0.600 -10.905 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.999 -8.584 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.687 -9.652 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.586 -8.554 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.013 -9.034 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.663 -9.055 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.053 -10.458 9.751 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.415 -10.584 4.255 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.233 -10.037 2.907 1.00 0.00 C ATOM 1066 C PHE A 67 -3.490 -9.344 2.413 1.00 0.00 C ATOM 1067 O PHE A 67 -3.424 -8.259 1.826 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.744 -11.085 1.907 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.274 -11.385 2.030 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.669 -10.577 1.396 1.00 0.00 C ATOM 1071 CD2 PHE A 67 0.171 -12.463 2.772 1.00 0.00 C ATOM 1072 CE1 PHE A 67 2.018 -10.850 1.507 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.522 -12.738 2.884 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.444 -11.931 2.251 1.00 0.00 C ATOM 0 H PHE A 67 -2.478 -11.601 4.297 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.445 -9.287 2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.309 -12.006 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.953 -10.737 0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.341 -9.729 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.545 -13.099 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.740 -10.217 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.855 -13.584 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.499 -12.145 2.338 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.630 -9.976 2.654 1.00 0.00 N ATOM 1085 CA ASN A 68 -5.921 -9.414 2.255 1.00 0.00 C ATOM 1086 C ASN A 68 -6.152 -8.025 2.878 1.00 0.00 C ATOM 1087 O ASN A 68 -6.651 -7.117 2.207 1.00 0.00 O ATOM 1088 CB ASN A 68 -7.060 -10.378 2.636 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.423 -9.918 2.145 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.536 -9.230 1.129 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.467 -10.309 2.852 1.00 0.00 N ATOM 0 H ASN A 68 -4.691 -10.879 3.124 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.912 -9.288 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.846 -11.364 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.089 -10.486 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.408 -10.042 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.333 -10.878 3.688 1.00 0.00 H new ATOM 1098 N MET A 69 -5.805 -7.856 4.150 1.00 0.00 N ATOM 1099 CA MET A 69 -5.944 -6.543 4.796 1.00 0.00 C ATOM 1100 C MET A 69 -4.989 -5.502 4.179 1.00 0.00 C ATOM 1101 O MET A 69 -5.392 -4.373 3.886 1.00 0.00 O ATOM 1102 CB MET A 69 -5.675 -6.646 6.301 1.00 0.00 C ATOM 1103 CG MET A 69 -6.671 -7.505 7.059 1.00 0.00 C ATOM 1104 SD MET A 69 -6.383 -7.489 8.842 1.00 0.00 S ATOM 1105 CE MET A 69 -4.759 -8.241 8.943 1.00 0.00 C ATOM 0 H MET A 69 -5.432 -8.592 4.749 1.00 0.00 H new ATOM 0 HA MET A 69 -6.970 -6.214 4.632 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.675 -7.052 6.452 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.680 -5.643 6.728 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.681 -7.150 6.854 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.613 -8.530 6.694 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.610 -8.653 9.941 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.682 -9.040 8.206 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.996 -7.488 8.744 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.727 -5.899 4.008 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.698 -5.002 3.445 1.00 0.00 C ATOM 1117 C CYS A 70 -3.091 -4.428 2.078 1.00 0.00 C ATOM 1118 O CYS A 70 -3.128 -3.206 1.907 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.352 -5.720 3.347 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.687 -6.258 4.935 1.00 0.00 S ATOM 0 H CYS A 70 -3.387 -6.830 4.248 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.611 -4.160 4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.462 -6.589 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.632 -5.055 2.870 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.516 -7.089 5.494 1.00 0.00 H new ATOM 1126 N THR A 71 -3.365 -5.299 1.101 1.00 0.00 N ATOM 1127 CA THR A 71 -3.817 -4.842 -0.218 1.00 0.00 C ATOM 1128 C THR A 71 -5.005 -3.868 -0.126 1.00 0.00 C ATOM 1129 O THR A 71 -5.078 -2.894 -0.886 1.00 0.00 O ATOM 1130 CB THR A 71 -4.154 -6.034 -1.169 1.00 0.00 C ATOM 1131 OG1 THR A 71 -4.536 -5.550 -2.461 1.00 0.00 O ATOM 1132 CG2 THR A 71 -5.270 -6.900 -0.608 1.00 0.00 C ATOM 0 H THR A 71 -3.283 -6.311 1.196 1.00 0.00 H new ATOM 0 HA THR A 71 -2.978 -4.297 -0.650 1.00 0.00 H new ATOM 0 HB THR A 71 -3.254 -6.643 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.743 -6.308 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.477 -7.719 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.966 -7.306 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.169 -6.297 -0.481 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.919 -4.116 0.807 1.00 0.00 N ATOM 1141 CA ASP A 72 -7.068 -3.239 0.985 1.00 0.00 C ATOM 1142 C ASP A 72 -6.619 -1.835 1.398 1.00 0.00 C ATOM 1143 O ASP A 72 -6.962 -0.848 0.747 1.00 0.00 O ATOM 1144 CB ASP A 72 -8.014 -3.825 2.034 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.167 -2.907 2.373 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -9.977 -2.604 1.483 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.278 -2.495 3.549 1.00 0.00 O ATOM 0 H ASP A 72 -5.886 -4.910 1.446 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.597 -3.161 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.408 -4.774 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.451 -4.041 2.942 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.843 -1.760 2.479 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.279 -0.493 2.962 1.00 0.00 C ATOM 1154 C TRP A 73 -4.488 0.274 1.884 1.00 0.00 C ATOM 1155 O TRP A 73 -4.591 1.505 1.810 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.376 -0.791 4.173 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.794 0.419 4.851 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.362 1.150 5.854 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.519 1.022 4.589 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -3.517 2.170 6.228 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.383 2.111 5.466 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.483 0.744 3.697 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.251 2.923 5.477 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.363 1.547 3.708 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.254 2.624 4.593 1.00 0.00 C ATOM 0 H TRP A 73 -5.587 -2.569 3.044 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.109 0.155 3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.952 -1.356 4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.558 -1.433 3.847 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.331 0.957 6.290 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -3.706 2.859 6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.557 -0.086 3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.165 3.757 6.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.445 1.341 3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.638 3.233 4.577 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.718 -0.424 1.053 1.00 0.00 N ATOM 1177 CA LEU A 74 -2.938 0.267 0.016 1.00 0.00 C ATOM 1178 C LEU A 74 -3.851 1.029 -0.967 1.00 0.00 C ATOM 1179 O LEU A 74 -3.651 2.215 -1.213 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.045 -0.723 -0.760 1.00 0.00 C ATOM 1181 CG LEU A 74 -0.734 -1.170 -0.075 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.064 -2.267 -0.892 1.00 0.00 C ATOM 1183 CD2 LEU A 74 0.212 0.016 0.081 1.00 0.00 C ATOM 0 H LEU A 74 -3.614 -1.439 1.070 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.302 0.991 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.635 -1.614 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.789 -0.270 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.973 -1.561 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.859 -2.575 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.735 -3.122 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.164 -1.890 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.131 -0.313 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.446 0.427 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.264 0.784 0.691 1.00 0.00 H new ATOM 1195 N ASN A 75 -4.869 0.349 -1.490 1.00 0.00 N ATOM 1196 CA ASN A 75 -5.838 0.967 -2.424 1.00 0.00 C ATOM 1197 C ASN A 75 -6.685 2.038 -1.744 1.00 0.00 C ATOM 1198 O ASN A 75 -7.170 2.972 -2.392 1.00 0.00 O ATOM 1199 CB ASN A 75 -6.757 -0.097 -3.043 1.00 0.00 C ATOM 1200 CG ASN A 75 -6.034 -1.023 -4.006 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -5.862 -0.704 -5.182 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -5.618 -2.178 -3.519 1.00 0.00 N ATOM 0 H ASN A 75 -5.054 -0.634 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.254 1.444 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.205 -0.690 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.573 0.398 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.135 -2.842 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.780 -2.406 -2.538 1.00 0.00 H new ATOM 1209 N HIS A 76 -6.850 1.892 -0.448 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.673 2.785 0.363 1.00 0.00 C ATOM 1211 C HIS A 76 -7.253 4.275 0.262 1.00 0.00 C ATOM 1212 O HIS A 76 -8.109 5.154 0.167 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.666 2.275 1.834 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.458 3.325 2.895 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.464 4.136 3.369 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.335 3.682 3.576 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -7.982 4.947 4.289 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.691 4.693 4.435 1.00 0.00 N ATOM 0 H HIS A 76 -6.413 1.141 0.087 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.689 2.759 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.614 1.773 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.881 1.525 1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.351 3.252 3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.545 5.692 4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.062 5.171 5.081 1.00 0.00 H new ATOM 1226 N MET A 77 -5.959 4.549 0.269 1.00 0.00 N ATOM 1227 CA MET A 77 -5.488 5.944 0.271 1.00 0.00 C ATOM 1228 C MET A 77 -5.622 6.635 -1.094 1.00 0.00 C ATOM 1229 O MET A 77 -5.692 7.864 -1.163 1.00 0.00 O ATOM 1230 CB MET A 77 -4.046 6.054 0.797 1.00 0.00 C ATOM 1231 CG MET A 77 -3.027 5.192 0.064 1.00 0.00 C ATOM 1232 SD MET A 77 -1.332 5.525 0.594 1.00 0.00 S ATOM 1233 CE MET A 77 -1.428 5.120 2.339 1.00 0.00 C ATOM 0 H MET A 77 -5.220 3.846 0.273 1.00 0.00 H new ATOM 0 HA MET A 77 -6.149 6.476 0.955 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.731 7.096 0.734 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.038 5.781 1.852 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.257 4.140 0.233 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.111 5.369 -1.008 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.422 4.999 2.740 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.937 5.923 2.871 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.983 4.191 2.467 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.686 5.855 -2.163 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.724 6.422 -3.523 1.00 0.00 C ATOM 1245 C TYR A 78 -6.917 7.332 -3.780 1.00 0.00 C ATOM 1246 O TYR A 78 -6.762 8.408 -4.361 1.00 0.00 O ATOM 1247 CB TYR A 78 -5.665 5.328 -4.574 1.00 0.00 C ATOM 1248 CG TYR A 78 -4.298 4.748 -4.708 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.873 3.729 -3.880 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -3.418 5.237 -5.653 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -2.607 3.213 -3.986 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -2.154 4.726 -5.770 1.00 0.00 C ATOM 1253 CZ TYR A 78 -1.751 3.711 -4.931 1.00 0.00 C ATOM 1254 OH TYR A 78 -0.495 3.204 -5.035 1.00 0.00 O ATOM 0 H TYR A 78 -5.713 4.836 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.836 7.049 -3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.369 4.538 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.982 5.733 -5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.548 3.332 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.732 6.035 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.287 2.419 -3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.477 5.116 -6.515 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.291 2.669 -4.240 1.00 0.00 H new ATOM 1264 N ASP A 79 -8.088 6.920 -3.343 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.298 7.702 -3.586 1.00 0.00 C ATOM 1266 C ASP A 79 -9.226 9.068 -2.923 1.00 0.00 C ATOM 1267 O ASP A 79 -9.643 10.075 -3.509 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.541 6.947 -3.127 1.00 0.00 C ATOM 1269 CG ASP A 79 -10.832 5.749 -4.002 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -10.999 5.927 -5.227 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -10.880 4.625 -3.476 1.00 0.00 O ATOM 0 H ASP A 79 -8.236 6.056 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.370 7.859 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.406 6.619 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.398 7.620 -3.137 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.688 9.104 -1.717 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.546 10.353 -0.984 1.00 0.00 C ATOM 1278 C GLN A 80 -7.569 11.295 -1.689 1.00 0.00 C ATOM 1279 O GLN A 80 -7.826 12.487 -1.808 1.00 0.00 O ATOM 1280 CB GLN A 80 -8.082 10.077 0.446 1.00 0.00 C ATOM 1281 CG GLN A 80 -7.832 11.332 1.269 1.00 0.00 C ATOM 1282 CD GLN A 80 -7.434 11.025 2.698 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -6.834 9.989 2.983 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -7.761 11.922 3.605 1.00 0.00 N ATOM 0 H GLN A 80 -8.341 8.282 -1.222 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.520 10.841 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.833 9.468 0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.165 9.488 0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.046 11.921 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.733 11.946 1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.258 12.769 3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.517 11.770 4.584 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.464 10.736 -2.177 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.430 11.520 -2.854 1.00 0.00 C ATOM 1295 C LEU A 81 -5.963 12.170 -4.130 1.00 0.00 C ATOM 1296 O LEU A 81 -5.649 13.322 -4.432 1.00 0.00 O ATOM 1297 CB LEU A 81 -4.224 10.638 -3.187 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.448 10.084 -1.988 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.343 9.150 -2.454 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -2.874 11.215 -1.144 1.00 0.00 C ATOM 0 H LEU A 81 -6.260 9.738 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.121 12.313 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.568 9.799 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.536 11.215 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.141 9.516 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.802 8.766 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.779 8.319 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.654 9.695 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.327 10.797 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.198 11.816 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.686 11.843 -0.776 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.756 11.417 -4.881 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.337 11.897 -6.139 1.00 0.00 C ATOM 1314 C LYS A 82 -8.226 13.130 -5.943 1.00 0.00 C ATOM 1315 O LYS A 82 -8.201 14.051 -6.753 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.136 10.773 -6.795 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.282 9.604 -7.251 1.00 0.00 C ATOM 1318 CD LYS A 82 -8.135 8.499 -7.843 1.00 0.00 C ATOM 1319 CE LYS A 82 -7.292 7.323 -8.304 1.00 0.00 C ATOM 1320 NZ LYS A 82 -8.130 6.244 -8.884 1.00 0.00 N ATOM 0 H LYS A 82 -7.017 10.460 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.514 12.198 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.884 10.412 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.675 11.175 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.559 9.946 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.713 9.215 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.857 8.160 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.704 8.891 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.569 7.662 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.723 6.930 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.521 5.457 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.803 5.904 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.653 6.613 -9.703 1.00 0.00 H new ATOM 1334 N ASP A 83 -9.007 13.147 -4.881 1.00 0.00 N ATOM 1335 CA ASP A 83 -9.893 14.287 -4.608 1.00 0.00 C ATOM 1336 C ASP A 83 -9.216 15.312 -3.717 1.00 0.00 C ATOM 1337 O ASP A 83 -9.867 16.198 -3.164 1.00 0.00 O ATOM 1338 CB ASP A 83 -11.228 13.839 -4.004 1.00 0.00 C ATOM 1339 CG ASP A 83 -12.105 13.117 -5.002 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -12.608 13.772 -5.945 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -12.306 11.892 -4.855 1.00 0.00 O ATOM 0 H ASP A 83 -9.054 12.397 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.107 14.760 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.036 13.184 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.760 14.710 -3.622 1.00 0.00 H new ATOM 1346 N TRP A 84 -7.912 15.201 -3.598 1.00 0.00 N ATOM 1347 CA TRP A 84 -7.140 16.107 -2.781 1.00 0.00 C ATOM 1348 C TRP A 84 -6.291 17.010 -3.677 1.00 0.00 C ATOM 1349 O TRP A 84 -5.354 16.549 -4.338 1.00 0.00 O ATOM 1350 CB TRP A 84 -6.261 15.306 -1.810 1.00 0.00 C ATOM 1351 CG TRP A 84 -5.440 16.143 -0.882 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -5.877 16.795 0.230 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -4.032 16.393 -0.968 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -4.835 17.448 0.834 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -3.688 17.216 0.119 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -3.030 16.005 -1.862 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -2.384 17.658 0.338 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -1.738 16.442 -1.644 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -1.424 17.261 -0.553 1.00 0.00 C ATOM 0 H TRP A 84 -7.359 14.482 -4.064 1.00 0.00 H new ATOM 0 HA TRP A 84 -7.809 16.737 -2.195 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.900 14.650 -1.218 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.594 14.666 -2.387 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -6.897 16.797 0.585 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.902 18.015 1.679 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.262 15.375 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.141 18.290 1.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.956 16.146 -2.328 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.404 17.586 -0.412 1.00 0.00 H new ATOM 1370 N LYS A 85 -6.645 18.283 -3.727 1.00 0.00 N ATOM 1371 CA LYS A 85 -5.919 19.250 -4.547 1.00 0.00 C ATOM 1372 C LYS A 85 -4.994 20.099 -3.685 1.00 0.00 C ATOM 1373 O LYS A 85 -3.906 19.583 -3.284 1.00 0.00 O ATOM 1374 CB LYS A 85 -6.896 20.155 -5.307 1.00 0.00 C ATOM 1375 CG LYS A 85 -7.721 19.442 -6.371 1.00 0.00 C ATOM 1376 CD LYS A 85 -8.680 20.407 -7.056 1.00 0.00 C ATOM 1377 CE LYS A 85 -9.459 19.734 -8.181 1.00 0.00 C ATOM 1378 NZ LYS A 85 -10.280 18.598 -7.692 1.00 0.00 N ATOM 0 H LYS A 85 -7.432 18.676 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.318 18.696 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.574 20.619 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.333 20.959 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.058 18.996 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.283 18.627 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.378 20.808 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.120 21.251 -7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.106 20.467 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.763 19.377 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.893 18.257 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.655 17.827 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.867 18.913 -6.893 1.00 0.00 H new TER 1392 LYS A 85