USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 567 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 5 MET CE :methyl -160:sc= -0.21 (180deg=-0.832) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0234) USER MOD Single : A 8 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 10 TYR OH : rot -54:sc= 0.0479 USER MOD Single : A 13 ASN : amide:sc= 0.914 K(o=0.91,f=-1.4!) USER MOD Single : A 15 SER OG : rot -147:sc= 0.875 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.023) USER MOD Single : A 33 CYS SG : rot 22:sc= 0.00194 USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00487) USER MOD Single : A 35 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.86) USER MOD Single : A 36 CYS SG : rot -10:sc= -2.84! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -161:sc= 0 (180deg=-0.594) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= -4.4! USER MOD Single : A 54 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 56 HIS : no HE2:sc= 0.177 K(o=0.18,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 66 MET CE :methyl -166:sc= -0.173 (180deg=-0.598) USER MOD Single : A 67 ASN : amide:sc= 0.568 K(o=0.57,f=-0.086) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0584 (180deg=-0.399) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.976 K(o=-0.98,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -4.752 -12.223 -0.596 1.00 0.00 N ATOM 63 CA MET A 5 -4.126 -11.165 0.183 1.00 0.00 C ATOM 64 C MET A 5 -4.452 -9.806 -0.424 1.00 0.00 C ATOM 65 O MET A 5 -3.644 -9.232 -1.153 1.00 0.00 O ATOM 66 CB MET A 5 -2.607 -11.367 0.241 1.00 0.00 C ATOM 67 CG MET A 5 -2.190 -12.687 0.871 1.00 0.00 C ATOM 68 SD MET A 5 -0.402 -12.906 0.909 1.00 0.00 S ATOM 69 CE MET A 5 -0.010 -12.849 -0.839 1.00 0.00 C ATOM 0 HA MET A 5 -4.519 -11.203 1.199 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.203 -11.313 -0.770 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.162 -10.548 0.806 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.580 -12.739 1.888 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.641 -13.509 0.315 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.962 -13.311 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.772 -13.389 -1.401 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.018 -11.811 -1.172 1.00 0.00 H new ATOM 79 N PRO A 6 -5.646 -9.272 -0.133 1.00 0.00 N ATOM 80 CA PRO A 6 -6.096 -8.001 -0.702 1.00 0.00 C ATOM 81 C PRO A 6 -5.345 -6.803 -0.129 1.00 0.00 C ATOM 82 O PRO A 6 -5.257 -6.628 1.087 1.00 0.00 O ATOM 83 CB PRO A 6 -7.574 -7.940 -0.315 1.00 0.00 C ATOM 84 CG PRO A 6 -7.681 -8.768 0.916 1.00 0.00 C ATOM 85 CD PRO A 6 -6.653 -9.858 0.775 1.00 0.00 C ATOM 0 HA PRO A 6 -5.920 -7.955 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.892 -6.914 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.207 -8.332 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.494 -8.168 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.682 -9.187 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.217 -10.125 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.087 -10.767 0.359 1.00 0.00 H new ATOM 93 N LYS A 7 -4.776 -5.994 -1.011 1.00 0.00 N ATOM 94 CA LYS A 7 -4.147 -4.744 -0.602 1.00 0.00 C ATOM 95 C LYS A 7 -5.190 -3.637 -0.517 1.00 0.00 C ATOM 96 O LYS A 7 -4.948 -2.575 0.060 1.00 0.00 O ATOM 97 CB LYS A 7 -3.065 -4.319 -1.595 1.00 0.00 C ATOM 98 CG LYS A 7 -1.843 -5.215 -1.606 1.00 0.00 C ATOM 99 CD LYS A 7 -0.721 -4.587 -2.412 1.00 0.00 C ATOM 100 CE LYS A 7 0.510 -5.472 -2.438 1.00 0.00 C ATOM 101 NZ LYS A 7 0.309 -6.686 -3.274 1.00 0.00 N ATOM 0 H LYS A 7 -4.736 -6.179 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.691 -4.908 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.495 -4.298 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.753 -3.301 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.507 -5.392 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.102 -6.185 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.062 -4.406 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.464 -3.618 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.357 -4.903 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.763 -5.771 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.200 -7.219 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.425 -7.285 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.011 -6.404 -4.230 1.00 0.00 H new ATOM 115 N THR A 8 -6.347 -3.898 -1.109 1.00 0.00 N ATOM 116 CA THR A 8 -7.398 -2.903 -1.230 1.00 0.00 C ATOM 117 C THR A 8 -8.318 -2.915 -0.013 1.00 0.00 C ATOM 118 O THR A 8 -8.949 -3.927 0.292 1.00 0.00 O ATOM 119 CB THR A 8 -8.242 -3.167 -2.492 1.00 0.00 C ATOM 120 OG1 THR A 8 -7.392 -3.568 -3.580 1.00 0.00 O ATOM 121 CG2 THR A 8 -9.031 -1.926 -2.891 1.00 0.00 C ATOM 0 H THR A 8 -6.581 -4.803 -1.517 1.00 0.00 H new ATOM 0 HA THR A 8 -6.916 -1.928 -1.300 1.00 0.00 H new ATOM 0 HB THR A 8 -8.946 -3.968 -2.266 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.955 -2.778 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.618 -2.140 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.699 -1.642 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.342 -1.107 -3.097 1.00 0.00 H new ATOM 129 N LEU A 9 -8.390 -1.796 0.686 1.00 0.00 N ATOM 130 CA LEU A 9 -9.327 -1.659 1.787 1.00 0.00 C ATOM 131 C LEU A 9 -10.565 -0.913 1.320 1.00 0.00 C ATOM 132 O LEU A 9 -10.475 0.202 0.798 1.00 0.00 O ATOM 133 CB LEU A 9 -8.692 -0.932 2.982 1.00 0.00 C ATOM 134 CG LEU A 9 -7.701 -1.753 3.821 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.354 -3.034 4.317 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.439 -2.064 3.033 1.00 0.00 C ATOM 0 H LEU A 9 -7.814 -0.973 0.512 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.607 -2.659 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.176 -0.046 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.491 -0.585 3.637 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.415 -1.153 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.637 -3.602 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.218 -2.787 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.675 -3.632 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.757 -2.646 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.698 -2.637 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.956 -1.133 2.738 1.00 0.00 H new ATOM 148 N TYR A 10 -11.715 -1.542 1.486 1.00 0.00 N ATOM 149 CA TYR A 10 -12.978 -0.941 1.106 1.00 0.00 C ATOM 150 C TYR A 10 -13.570 -0.194 2.288 1.00 0.00 C ATOM 151 O TYR A 10 -14.063 -0.807 3.240 1.00 0.00 O ATOM 152 CB TYR A 10 -13.956 -2.014 0.619 1.00 0.00 C ATOM 153 CG TYR A 10 -15.298 -1.466 0.186 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.478 -0.952 -1.090 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.385 -1.458 1.055 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.697 -0.445 -1.490 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.610 -0.954 0.660 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.760 -0.448 -0.612 1.00 0.00 C ATOM 159 OH TYR A 10 -18.980 0.062 -1.004 1.00 0.00 O ATOM 0 H TYR A 10 -11.798 -2.477 1.885 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.801 -0.238 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.506 -2.550 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.111 -2.740 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.649 -0.949 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.270 -1.852 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.818 -0.047 -2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.445 -0.957 1.345 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.860 0.974 -1.342 1.00 0.00 H new ATOM 169 N VAL A 11 -13.499 1.122 2.238 1.00 0.00 N ATOM 170 CA VAL A 11 -14.079 1.948 3.278 1.00 0.00 C ATOM 171 C VAL A 11 -15.337 2.618 2.756 1.00 0.00 C ATOM 172 O VAL A 11 -15.296 3.334 1.756 1.00 0.00 O ATOM 173 CB VAL A 11 -13.091 3.019 3.784 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.716 3.842 4.905 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.799 2.373 4.257 1.00 0.00 C ATOM 0 H VAL A 11 -13.045 1.642 1.487 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.322 1.299 4.119 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.860 3.688 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.002 4.591 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.614 4.338 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.979 3.186 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.115 3.144 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.015 1.680 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.339 1.831 3.431 1.00 0.00 H new ATOM 185 N GLY A 12 -16.450 2.359 3.416 1.00 0.00 N ATOM 186 CA GLY A 12 -17.708 2.937 3.003 1.00 0.00 C ATOM 187 C GLY A 12 -18.240 3.929 4.013 1.00 0.00 C ATOM 188 O GLY A 12 -17.649 4.108 5.082 1.00 0.00 O ATOM 0 H GLY A 12 -16.506 1.755 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.579 3.434 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.440 2.143 2.856 1.00 0.00 H new ATOM 192 N ASN A 13 -19.361 4.559 3.666 1.00 0.00 N ATOM 193 CA ASN A 13 -19.989 5.588 4.496 1.00 0.00 C ATOM 194 C ASN A 13 -19.119 6.832 4.573 1.00 0.00 C ATOM 195 O ASN A 13 -18.841 7.350 5.655 1.00 0.00 O ATOM 196 CB ASN A 13 -20.303 5.084 5.908 1.00 0.00 C ATOM 197 CG ASN A 13 -21.453 4.103 5.945 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.319 4.101 5.068 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.486 3.285 6.982 1.00 0.00 N ATOM 0 H ASN A 13 -19.862 4.370 2.798 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.934 5.841 4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.414 4.609 6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.538 5.935 6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.250 2.617 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.747 3.322 7.684 1.00 0.00 H new ATOM 206 N LEU A 14 -18.698 7.318 3.422 1.00 0.00 N ATOM 207 CA LEU A 14 -17.898 8.525 3.363 1.00 0.00 C ATOM 208 C LEU A 14 -18.793 9.753 3.374 1.00 0.00 C ATOM 209 O LEU A 14 -19.917 9.729 2.864 1.00 0.00 O ATOM 210 CB LEU A 14 -17.003 8.534 2.122 1.00 0.00 C ATOM 211 CG LEU A 14 -15.689 7.749 2.243 1.00 0.00 C ATOM 212 CD1 LEU A 14 -14.754 8.419 3.238 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.939 6.307 2.654 1.00 0.00 C ATOM 0 H LEU A 14 -18.897 6.896 2.515 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.256 8.547 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.571 8.129 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.765 9.569 1.876 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.218 7.745 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.829 7.847 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.530 9.431 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.232 8.459 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.988 5.780 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.444 6.286 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.565 5.819 1.907 1.00 0.00 H new ATOM 225 N SER A 15 -18.285 10.817 3.956 1.00 0.00 N ATOM 226 CA SER A 15 -19.032 12.051 4.092 1.00 0.00 C ATOM 227 C SER A 15 -18.639 13.015 2.977 1.00 0.00 C ATOM 228 O SER A 15 -17.512 12.977 2.479 1.00 0.00 O ATOM 229 CB SER A 15 -18.758 12.670 5.466 1.00 0.00 C ATOM 230 OG SER A 15 -19.540 13.827 5.673 1.00 0.00 O ATOM 0 H SER A 15 -17.344 10.853 4.348 1.00 0.00 H new ATOM 0 HA SER A 15 -20.099 11.844 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.973 11.939 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.701 12.923 5.549 1.00 0.00 H new ATOM 0 HG SER A 15 -19.042 14.464 6.227 1.00 0.00 H new ATOM 236 N ARG A 16 -19.571 13.885 2.597 1.00 0.00 N ATOM 237 CA ARG A 16 -19.365 14.791 1.469 1.00 0.00 C ATOM 238 C ARG A 16 -18.354 15.883 1.825 1.00 0.00 C ATOM 239 O ARG A 16 -17.913 16.641 0.961 1.00 0.00 O ATOM 240 CB ARG A 16 -20.706 15.408 1.019 1.00 0.00 C ATOM 241 CG ARG A 16 -21.131 16.675 1.760 1.00 0.00 C ATOM 242 CD ARG A 16 -21.351 16.446 3.248 1.00 0.00 C ATOM 243 NE ARG A 16 -22.482 15.561 3.529 1.00 0.00 N ATOM 244 CZ ARG A 16 -22.740 15.061 4.740 1.00 0.00 C ATOM 245 NH1 ARG A 16 -21.947 15.353 5.761 1.00 0.00 N ATOM 246 NH2 ARG A 16 -23.788 14.269 4.932 1.00 0.00 N ATOM 0 H ARG A 16 -20.478 13.982 3.054 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.958 14.216 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.642 15.635 -0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.489 14.659 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.368 17.442 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -22.050 17.058 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.447 16.020 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.517 17.406 3.737 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.105 15.313 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.139 15.960 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.145 14.971 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.403 14.038 4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -23.978 13.891 5.860 1.00 0.00 H new ATOM 260 N ASP A 17 -17.992 15.945 3.103 1.00 0.00 N ATOM 261 CA ASP A 17 -17.024 16.918 3.595 1.00 0.00 C ATOM 262 C ASP A 17 -15.678 16.262 3.885 1.00 0.00 C ATOM 263 O ASP A 17 -14.759 16.905 4.393 1.00 0.00 O ATOM 264 CB ASP A 17 -17.550 17.625 4.849 1.00 0.00 C ATOM 265 CG ASP A 17 -18.439 16.743 5.703 1.00 0.00 C ATOM 266 OD1 ASP A 17 -19.664 16.988 5.736 1.00 0.00 O ATOM 267 OD2 ASP A 17 -17.934 15.793 6.330 1.00 0.00 O ATOM 0 H ASP A 17 -18.360 15.324 3.824 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.878 17.661 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.705 17.966 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.108 18.512 4.551 1.00 0.00 H new ATOM 272 N VAL A 18 -15.566 14.981 3.561 1.00 0.00 N ATOM 273 CA VAL A 18 -14.292 14.282 3.669 1.00 0.00 C ATOM 274 C VAL A 18 -13.442 14.585 2.439 1.00 0.00 C ATOM 275 O VAL A 18 -13.972 14.746 1.341 1.00 0.00 O ATOM 276 CB VAL A 18 -14.487 12.753 3.818 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.150 12.027 3.836 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.271 12.438 5.082 1.00 0.00 C ATOM 0 H VAL A 18 -16.338 14.407 3.223 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.785 14.636 4.567 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.052 12.403 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.319 10.955 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.618 12.220 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.553 12.384 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.399 11.359 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.728 12.812 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.249 12.917 5.032 1.00 0.00 H new ATOM 288 N THR A 19 -12.136 14.680 2.623 1.00 0.00 N ATOM 289 CA THR A 19 -11.248 15.025 1.529 1.00 0.00 C ATOM 290 C THR A 19 -10.136 13.988 1.369 1.00 0.00 C ATOM 291 O THR A 19 -9.782 13.299 2.333 1.00 0.00 O ATOM 292 CB THR A 19 -10.637 16.431 1.735 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.817 16.788 0.616 1.00 0.00 O ATOM 294 CG2 THR A 19 -9.817 16.493 3.018 1.00 0.00 C ATOM 0 H THR A 19 -11.670 14.524 3.517 1.00 0.00 H new ATOM 0 HA THR A 19 -11.843 15.033 0.616 1.00 0.00 H new ATOM 0 HB THR A 19 -11.459 17.142 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.438 17.681 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.400 17.493 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.457 16.264 3.870 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.006 15.766 2.967 1.00 0.00 H new ATOM 302 N GLU A 20 -9.610 13.867 0.153 1.00 0.00 N ATOM 303 CA GLU A 20 -8.510 12.952 -0.142 1.00 0.00 C ATOM 304 C GLU A 20 -7.359 13.134 0.848 1.00 0.00 C ATOM 305 O GLU A 20 -6.853 12.161 1.413 1.00 0.00 O ATOM 306 CB GLU A 20 -8.013 13.187 -1.571 1.00 0.00 C ATOM 307 CG GLU A 20 -6.818 12.333 -1.961 1.00 0.00 C ATOM 308 CD GLU A 20 -6.224 12.734 -3.295 1.00 0.00 C ATOM 309 OE1 GLU A 20 -5.751 13.885 -3.415 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.201 11.898 -4.221 1.00 0.00 O ATOM 0 H GLU A 20 -9.933 14.399 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.879 11.931 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.830 12.989 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.747 14.238 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.053 12.412 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.122 11.287 -2.003 1.00 0.00 H new ATOM 317 N ALA A 21 -6.979 14.390 1.078 1.00 0.00 N ATOM 318 CA ALA A 21 -5.866 14.723 1.967 1.00 0.00 C ATOM 319 C ALA A 21 -6.064 14.148 3.369 1.00 0.00 C ATOM 320 O ALA A 21 -5.099 13.797 4.050 1.00 0.00 O ATOM 321 CB ALA A 21 -5.691 16.233 2.037 1.00 0.00 C ATOM 0 H ALA A 21 -7.431 15.201 0.656 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.964 14.271 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.860 16.473 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.483 16.622 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.605 16.688 2.420 1.00 0.00 H new ATOM 327 N LEU A 22 -7.316 14.045 3.790 1.00 0.00 N ATOM 328 CA LEU A 22 -7.644 13.531 5.113 1.00 0.00 C ATOM 329 C LEU A 22 -7.529 12.011 5.124 1.00 0.00 C ATOM 330 O LEU A 22 -6.926 11.430 6.026 1.00 0.00 O ATOM 331 CB LEU A 22 -9.057 13.987 5.506 1.00 0.00 C ATOM 332 CG LEU A 22 -9.506 13.660 6.935 1.00 0.00 C ATOM 333 CD1 LEU A 22 -10.511 14.693 7.415 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.121 12.269 7.004 1.00 0.00 C ATOM 0 H LEU A 22 -8.126 14.312 3.231 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.940 13.926 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.119 15.066 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.767 13.535 4.813 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.629 13.683 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.824 14.452 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.051 15.681 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.380 14.688 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.432 12.059 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.987 12.221 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.384 11.530 6.690 1.00 0.00 H new ATOM 346 N ILE A 23 -8.096 11.379 4.103 1.00 0.00 N ATOM 347 CA ILE A 23 -8.043 9.927 3.966 1.00 0.00 C ATOM 348 C ILE A 23 -6.596 9.455 3.862 1.00 0.00 C ATOM 349 O ILE A 23 -6.189 8.502 4.531 1.00 0.00 O ATOM 350 CB ILE A 23 -8.836 9.457 2.723 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.313 9.847 2.855 1.00 0.00 C ATOM 352 CG2 ILE A 23 -8.702 7.953 2.522 1.00 0.00 C ATOM 353 CD1 ILE A 23 -10.996 9.249 4.068 1.00 0.00 C ATOM 0 H ILE A 23 -8.601 11.852 3.353 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.500 9.491 4.854 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.417 9.953 1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.390 10.933 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.844 9.531 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.270 7.652 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.652 7.697 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.089 7.433 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.038 9.569 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.952 8.161 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.490 9.585 4.973 1.00 0.00 H new ATOM 365 N LEU A 24 -5.822 10.152 3.035 1.00 0.00 N ATOM 366 CA LEU A 24 -4.402 9.861 2.868 1.00 0.00 C ATOM 367 C LEU A 24 -3.679 9.890 4.208 1.00 0.00 C ATOM 368 O LEU A 24 -2.883 9.009 4.508 1.00 0.00 O ATOM 369 CB LEU A 24 -3.759 10.876 1.913 1.00 0.00 C ATOM 370 CG LEU A 24 -3.521 10.386 0.483 1.00 0.00 C ATOM 371 CD1 LEU A 24 -2.592 9.182 0.478 1.00 0.00 C ATOM 372 CD2 LEU A 24 -4.838 10.049 -0.197 1.00 0.00 C ATOM 0 H LEU A 24 -6.158 10.929 2.466 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.312 8.861 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.394 11.761 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.803 11.188 2.334 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.044 11.190 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.435 8.848 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.635 9.459 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.039 8.375 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.645 9.703 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.347 9.264 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.468 10.938 -0.230 1.00 0.00 H new ATOM 384 N GLN A 25 -3.985 10.896 5.017 1.00 0.00 N ATOM 385 CA GLN A 25 -3.309 11.089 6.294 1.00 0.00 C ATOM 386 C GLN A 25 -3.666 9.991 7.295 1.00 0.00 C ATOM 387 O GLN A 25 -2.780 9.400 7.914 1.00 0.00 O ATOM 388 CB GLN A 25 -3.663 12.456 6.880 1.00 0.00 C ATOM 389 CG GLN A 25 -2.987 12.731 8.211 1.00 0.00 C ATOM 390 CD GLN A 25 -3.375 14.074 8.794 1.00 0.00 C ATOM 391 OE1 GLN A 25 -4.347 14.186 9.542 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.628 15.108 8.447 1.00 0.00 N ATOM 0 H GLN A 25 -4.700 11.594 4.811 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.236 11.039 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.380 13.233 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.743 12.520 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.249 11.943 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.906 12.695 8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.831 14.975 7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.849 16.039 8.801 1.00 0.00 H new ATOM 401 N LEU A 26 -4.960 9.717 7.442 1.00 0.00 N ATOM 402 CA LEU A 26 -5.434 8.749 8.426 1.00 0.00 C ATOM 403 C LEU A 26 -4.817 7.375 8.206 1.00 0.00 C ATOM 404 O LEU A 26 -4.333 6.746 9.144 1.00 0.00 O ATOM 405 CB LEU A 26 -6.954 8.642 8.392 1.00 0.00 C ATOM 406 CG LEU A 26 -7.700 9.888 8.863 1.00 0.00 C ATOM 407 CD1 LEU A 26 -9.156 9.548 9.092 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.072 10.447 10.133 1.00 0.00 C ATOM 0 H LEU A 26 -5.700 10.153 6.891 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.123 9.110 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.264 8.415 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.258 7.799 9.013 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.630 10.656 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.689 10.437 9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.597 9.191 8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.233 8.770 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.620 11.334 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.113 9.695 10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.033 10.713 9.939 1.00 0.00 H new ATOM 420 N PHE A 27 -4.824 6.918 6.963 1.00 0.00 N ATOM 421 CA PHE A 27 -4.307 5.596 6.646 1.00 0.00 C ATOM 422 C PHE A 27 -2.781 5.596 6.565 1.00 0.00 C ATOM 423 O PHE A 27 -2.149 4.557 6.754 1.00 0.00 O ATOM 424 CB PHE A 27 -4.929 5.077 5.350 1.00 0.00 C ATOM 425 CG PHE A 27 -6.395 4.765 5.486 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.354 5.677 5.083 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.808 3.559 6.030 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.700 5.394 5.217 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.153 3.269 6.165 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.099 4.188 5.758 1.00 0.00 C ATOM 0 H PHE A 27 -5.180 7.440 6.162 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.587 4.921 7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.793 5.820 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.400 4.178 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.047 6.621 4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.071 2.838 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.439 6.115 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.463 2.325 6.588 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.150 3.964 5.863 1.00 0.00 H new ATOM 440 N SER A 28 -2.193 6.764 6.316 1.00 0.00 N ATOM 441 CA SER A 28 -0.738 6.899 6.272 1.00 0.00 C ATOM 442 C SER A 28 -0.137 6.604 7.644 1.00 0.00 C ATOM 443 O SER A 28 0.983 6.098 7.752 1.00 0.00 O ATOM 444 CB SER A 28 -0.341 8.306 5.810 1.00 0.00 C ATOM 445 OG SER A 28 1.067 8.433 5.668 1.00 0.00 O ATOM 0 H SER A 28 -2.701 7.631 6.142 1.00 0.00 H new ATOM 0 HA SER A 28 -0.347 6.177 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.824 8.527 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.702 9.041 6.529 1.00 0.00 H new ATOM 0 HG SER A 28 1.285 9.341 5.371 1.00 0.00 H new ATOM 451 N GLN A 29 -0.895 6.917 8.691 1.00 0.00 N ATOM 452 CA GLN A 29 -0.475 6.629 10.057 1.00 0.00 C ATOM 453 C GLN A 29 -0.323 5.124 10.266 1.00 0.00 C ATOM 454 O GLN A 29 0.503 4.675 11.061 1.00 0.00 O ATOM 455 CB GLN A 29 -1.494 7.193 11.052 1.00 0.00 C ATOM 456 CG GLN A 29 -1.098 7.009 12.512 1.00 0.00 C ATOM 457 CD GLN A 29 0.166 7.761 12.870 1.00 0.00 C ATOM 458 OE1 GLN A 29 1.274 7.236 12.748 1.00 0.00 O ATOM 459 NE2 GLN A 29 0.009 8.993 13.320 1.00 0.00 N ATOM 0 H GLN A 29 -1.805 7.371 8.618 1.00 0.00 H new ATOM 0 HA GLN A 29 0.491 7.104 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.631 8.256 10.854 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.457 6.711 10.883 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.913 7.349 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.955 5.948 12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.927 9.389 13.405 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.824 9.548 13.582 1.00 0.00 H new ATOM 468 N ILE A 30 -1.114 4.353 9.535 1.00 0.00 N ATOM 469 CA ILE A 30 -1.098 2.904 9.663 1.00 0.00 C ATOM 470 C ILE A 30 -0.075 2.288 8.713 1.00 0.00 C ATOM 471 O ILE A 30 0.720 1.434 9.111 1.00 0.00 O ATOM 472 CB ILE A 30 -2.491 2.299 9.381 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.549 2.940 10.288 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.468 0.790 9.578 1.00 0.00 C ATOM 475 CD1 ILE A 30 -3.305 2.728 11.768 1.00 0.00 C ATOM 0 H ILE A 30 -1.776 4.708 8.845 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.819 2.673 10.691 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.752 2.508 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.585 4.011 10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.527 2.534 10.030 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.458 0.381 9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.745 0.345 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.185 0.561 10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.097 3.212 12.340 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.300 1.660 11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.343 3.159 12.044 1.00 0.00 H new ATOM 487 N GLY A 31 -0.091 2.731 7.461 1.00 0.00 N ATOM 488 CA GLY A 31 0.830 2.206 6.472 1.00 0.00 C ATOM 489 C GLY A 31 0.905 3.079 5.238 1.00 0.00 C ATOM 490 O GLY A 31 0.046 3.937 5.030 1.00 0.00 O ATOM 0 H GLY A 31 -0.728 3.447 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.823 2.118 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.519 1.201 6.186 1.00 0.00 H new ATOM 494 N PRO A 32 1.925 2.878 4.389 1.00 0.00 N ATOM 495 CA PRO A 32 2.092 3.655 3.161 1.00 0.00 C ATOM 496 C PRO A 32 1.000 3.347 2.139 1.00 0.00 C ATOM 497 O PRO A 32 0.816 2.194 1.738 1.00 0.00 O ATOM 498 CB PRO A 32 3.467 3.217 2.641 1.00 0.00 C ATOM 499 CG PRO A 32 3.687 1.868 3.232 1.00 0.00 C ATOM 500 CD PRO A 32 2.992 1.877 4.565 1.00 0.00 C ATOM 0 HA PRO A 32 2.021 4.728 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.484 3.179 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.246 3.915 2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.281 1.089 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.751 1.663 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.586 0.896 4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.672 2.153 5.371 1.00 0.00 H new ATOM 508 N CYS A 33 0.279 4.376 1.720 1.00 0.00 N ATOM 509 CA CYS A 33 -0.831 4.206 0.793 1.00 0.00 C ATOM 510 C CYS A 33 -0.349 4.256 -0.655 1.00 0.00 C ATOM 511 O CYS A 33 0.488 5.080 -1.018 1.00 0.00 O ATOM 512 CB CYS A 33 -1.876 5.291 1.042 1.00 0.00 C ATOM 513 SG CYS A 33 -2.457 5.365 2.753 1.00 0.00 S ATOM 0 H CYS A 33 0.443 5.341 2.008 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.279 3.227 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.454 6.258 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.729 5.119 0.386 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.576 4.815 3.535 1.00 0.00 H new ATOM 519 N LYS A 34 -0.877 3.349 -1.468 1.00 0.00 N ATOM 520 CA LYS A 34 -0.526 3.261 -2.881 1.00 0.00 C ATOM 521 C LYS A 34 -1.525 4.052 -3.717 1.00 0.00 C ATOM 522 O LYS A 34 -1.156 4.968 -4.447 1.00 0.00 O ATOM 523 CB LYS A 34 -0.507 1.792 -3.325 1.00 0.00 C ATOM 524 CG LYS A 34 -0.189 1.591 -4.799 1.00 0.00 C ATOM 525 CD LYS A 34 -0.274 0.123 -5.194 1.00 0.00 C ATOM 526 CE LYS A 34 -0.132 -0.071 -6.698 1.00 0.00 C ATOM 527 NZ LYS A 34 1.203 0.348 -7.201 1.00 0.00 N ATOM 0 H LYS A 34 -1.560 2.654 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 34 0.467 3.686 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.230 1.253 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.478 1.346 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.884 2.172 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.811 1.968 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.508 -0.437 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.229 -0.287 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.296 -1.120 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.906 0.501 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.262 0.165 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.338 1.364 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.944 -0.191 -6.710 1.00 0.00 H new ATOM 541 N ASN A 35 -2.795 3.693 -3.599 1.00 0.00 N ATOM 542 CA ASN A 35 -3.859 4.400 -4.296 1.00 0.00 C ATOM 543 C ASN A 35 -5.039 4.606 -3.370 1.00 0.00 C ATOM 544 O ASN A 35 -5.522 3.662 -2.750 1.00 0.00 O ATOM 545 CB ASN A 35 -4.331 3.646 -5.547 1.00 0.00 C ATOM 546 CG ASN A 35 -3.327 3.683 -6.685 1.00 0.00 C ATOM 547 OD1 ASN A 35 -3.271 4.649 -7.448 1.00 0.00 O ATOM 548 ND2 ASN A 35 -2.569 2.609 -6.840 1.00 0.00 N ATOM 0 H ASN A 35 -3.114 2.913 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.452 5.361 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.532 2.608 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.273 4.076 -5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.907 2.560 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.647 1.831 -6.185 1.00 0.00 H new ATOM 555 N CYS A 36 -5.481 5.842 -3.256 1.00 0.00 N ATOM 556 CA CYS A 36 -6.664 6.148 -2.477 1.00 0.00 C ATOM 557 C CYS A 36 -7.686 6.848 -3.356 1.00 0.00 C ATOM 558 O CYS A 36 -7.532 8.027 -3.690 1.00 0.00 O ATOM 559 CB CYS A 36 -6.304 7.027 -1.280 1.00 0.00 C ATOM 560 SG CYS A 36 -5.001 6.342 -0.230 1.00 0.00 S ATOM 0 H CYS A 36 -5.039 6.651 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.091 5.218 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.988 8.005 -1.643 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.198 7.185 -0.676 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.761 5.114 -0.582 1.00 0.00 H new ATOM 566 N LYS A 37 -8.717 6.117 -3.745 1.00 0.00 N ATOM 567 CA LYS A 37 -9.755 6.668 -4.597 1.00 0.00 C ATOM 568 C LYS A 37 -10.972 7.013 -3.766 1.00 0.00 C ATOM 569 O LYS A 37 -11.379 6.249 -2.896 1.00 0.00 O ATOM 570 CB LYS A 37 -10.159 5.675 -5.681 1.00 0.00 C ATOM 571 CG LYS A 37 -11.046 6.268 -6.767 1.00 0.00 C ATOM 572 CD LYS A 37 -10.334 7.361 -7.546 1.00 0.00 C ATOM 573 CE LYS A 37 -9.176 6.808 -8.361 1.00 0.00 C ATOM 574 NZ LYS A 37 -8.487 7.871 -9.134 1.00 0.00 N ATOM 0 H LYS A 37 -8.857 5.141 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.359 7.566 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.258 5.271 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.681 4.839 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.359 5.479 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.951 6.675 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.043 7.855 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.964 8.118 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.462 6.323 -7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.545 6.043 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.704 7.454 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.161 8.317 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.112 8.588 -8.480 1.00 0.00 H new ATOM 588 N MET A 38 -11.549 8.153 -4.051 1.00 0.00 N ATOM 589 CA MET A 38 -12.727 8.613 -3.342 1.00 0.00 C ATOM 590 C MET A 38 -13.920 8.636 -4.278 1.00 0.00 C ATOM 591 O MET A 38 -14.063 9.542 -5.099 1.00 0.00 O ATOM 592 CB MET A 38 -12.499 10.007 -2.748 1.00 0.00 C ATOM 593 CG MET A 38 -13.725 10.573 -2.045 1.00 0.00 C ATOM 594 SD MET A 38 -13.463 12.240 -1.407 1.00 0.00 S ATOM 595 CE MET A 38 -15.096 12.607 -0.763 1.00 0.00 C ATOM 0 H MET A 38 -11.221 8.790 -4.777 1.00 0.00 H new ATOM 0 HA MET A 38 -12.926 7.921 -2.524 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.672 9.961 -2.039 1.00 0.00 H new ATOM 0 HB3 MET A 38 -12.199 10.688 -3.544 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.564 10.584 -2.741 1.00 0.00 H new ATOM 0 HG3 MET A 38 -14.002 9.914 -1.222 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.207 13.685 -0.645 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.852 12.239 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.223 12.121 0.204 1.00 0.00 H new ATOM 605 N ILE A 39 -14.771 7.635 -4.167 1.00 0.00 N ATOM 606 CA ILE A 39 -15.948 7.562 -5.004 1.00 0.00 C ATOM 607 C ILE A 39 -17.044 8.437 -4.412 1.00 0.00 C ATOM 608 O ILE A 39 -17.893 7.967 -3.651 1.00 0.00 O ATOM 609 CB ILE A 39 -16.464 6.113 -5.152 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.330 5.175 -5.587 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.617 6.053 -6.151 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.689 5.550 -6.905 1.00 0.00 C ATOM 0 H ILE A 39 -14.668 6.864 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.675 7.918 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.831 5.782 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.563 5.166 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.721 4.160 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.967 5.025 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.434 6.685 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.275 6.407 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.898 4.838 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.441 5.531 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.266 6.552 -6.832 1.00 0.00 H new ATOM 710 N PRO A 47 -21.447 7.519 -0.484 1.00 0.00 N ATOM 711 CA PRO A 47 -20.085 7.489 -1.023 1.00 0.00 C ATOM 712 C PRO A 47 -19.169 6.525 -0.278 1.00 0.00 C ATOM 713 O PRO A 47 -19.358 6.247 0.910 1.00 0.00 O ATOM 714 CB PRO A 47 -19.589 8.931 -0.848 1.00 0.00 C ATOM 715 CG PRO A 47 -20.821 9.746 -0.660 1.00 0.00 C ATOM 716 CD PRO A 47 -21.800 8.848 0.035 1.00 0.00 C ATOM 0 HA PRO A 47 -20.079 7.141 -2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.924 9.017 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.026 9.263 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.615 10.635 -0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.214 10.087 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.697 8.899 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.831 9.114 -0.200 1.00 0.00 H new ATOM 724 N TYR A 48 -18.167 6.030 -0.990 1.00 0.00 N ATOM 725 CA TYR A 48 -17.203 5.092 -0.436 1.00 0.00 C ATOM 726 C TYR A 48 -15.836 5.339 -1.060 1.00 0.00 C ATOM 727 O TYR A 48 -15.729 6.062 -2.051 1.00 0.00 O ATOM 728 CB TYR A 48 -17.659 3.646 -0.680 1.00 0.00 C ATOM 729 CG TYR A 48 -17.978 3.330 -2.127 1.00 0.00 C ATOM 730 CD1 TYR A 48 -17.036 2.732 -2.953 1.00 0.00 C ATOM 731 CD2 TYR A 48 -19.226 3.627 -2.664 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.329 2.436 -4.270 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.524 3.335 -3.981 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.572 2.742 -4.779 1.00 0.00 C ATOM 735 OH TYR A 48 -18.864 2.445 -6.091 1.00 0.00 O ATOM 0 H TYR A 48 -18.000 6.268 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.133 5.245 0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.878 2.968 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.543 3.449 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.059 2.494 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.975 4.094 -2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.587 1.967 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.499 3.571 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.782 2.723 -6.293 1.00 0.00 H new ATOM 745 N CYS A 49 -14.795 4.758 -0.490 1.00 0.00 N ATOM 746 CA CYS A 49 -13.448 4.980 -0.988 1.00 0.00 C ATOM 747 C CYS A 49 -12.641 3.688 -1.020 1.00 0.00 C ATOM 748 O CYS A 49 -12.840 2.794 -0.193 1.00 0.00 O ATOM 749 CB CYS A 49 -12.729 6.027 -0.132 1.00 0.00 C ATOM 750 SG CYS A 49 -12.592 5.594 1.618 1.00 0.00 S ATOM 0 H CYS A 49 -14.855 4.132 0.313 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.532 5.348 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.728 6.183 -0.535 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -13.259 6.976 -0.219 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.968 6.542 2.252 1.00 0.00 H new ATOM 756 N PHE A 50 -11.738 3.600 -1.987 1.00 0.00 N ATOM 757 CA PHE A 50 -10.828 2.471 -2.098 1.00 0.00 C ATOM 758 C PHE A 50 -9.426 2.907 -1.703 1.00 0.00 C ATOM 759 O PHE A 50 -8.798 3.698 -2.407 1.00 0.00 O ATOM 760 CB PHE A 50 -10.808 1.922 -3.526 1.00 0.00 C ATOM 761 CG PHE A 50 -12.089 1.267 -3.947 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.392 -0.015 -3.524 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.986 1.927 -4.769 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.565 -0.627 -3.911 1.00 0.00 C ATOM 765 CE2 PHE A 50 -14.164 1.319 -5.159 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.453 0.040 -4.729 1.00 0.00 C ATOM 0 H PHE A 50 -11.617 4.306 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.174 1.683 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.586 2.737 -4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.997 1.200 -3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.701 -0.543 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.763 2.927 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.789 -1.628 -3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.857 1.844 -5.799 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.373 -0.438 -5.032 1.00 0.00 H new ATOM 776 N VAL A 51 -8.948 2.415 -0.575 1.00 0.00 N ATOM 777 CA VAL A 51 -7.609 2.750 -0.120 1.00 0.00 C ATOM 778 C VAL A 51 -6.710 1.516 -0.154 1.00 0.00 C ATOM 779 O VAL A 51 -6.912 0.556 0.589 1.00 0.00 O ATOM 780 CB VAL A 51 -7.622 3.388 1.294 1.00 0.00 C ATOM 781 CG1 VAL A 51 -8.391 2.529 2.287 1.00 0.00 C ATOM 782 CG2 VAL A 51 -6.205 3.637 1.787 1.00 0.00 C ATOM 0 H VAL A 51 -9.463 1.785 0.041 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.204 3.495 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.135 4.347 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.379 3.007 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.422 2.417 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.924 1.547 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.239 4.085 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.664 2.692 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.695 4.313 1.101 1.00 0.00 H new ATOM 792 N GLU A 52 -5.740 1.532 -1.051 1.00 0.00 N ATOM 793 CA GLU A 52 -4.825 0.414 -1.203 1.00 0.00 C ATOM 794 C GLU A 52 -3.483 0.732 -0.561 1.00 0.00 C ATOM 795 O GLU A 52 -2.906 1.791 -0.805 1.00 0.00 O ATOM 796 CB GLU A 52 -4.629 0.081 -2.684 1.00 0.00 C ATOM 797 CG GLU A 52 -5.931 -0.158 -3.424 1.00 0.00 C ATOM 798 CD GLU A 52 -5.717 -0.660 -4.834 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.935 -1.867 -5.076 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.344 0.148 -5.709 1.00 0.00 O ATOM 0 H GLU A 52 -5.565 2.310 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.258 -0.452 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.091 0.898 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.003 -0.807 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.530 -0.882 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.502 0.770 -3.456 1.00 0.00 H new ATOM 807 N PHE A 53 -2.993 -0.183 0.257 1.00 0.00 N ATOM 808 CA PHE A 53 -1.719 -0.003 0.939 1.00 0.00 C ATOM 809 C PHE A 53 -0.583 -0.630 0.142 1.00 0.00 C ATOM 810 O PHE A 53 -0.801 -1.517 -0.681 1.00 0.00 O ATOM 811 CB PHE A 53 -1.771 -0.640 2.330 1.00 0.00 C ATOM 812 CG PHE A 53 -2.546 0.154 3.344 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.905 0.698 4.443 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.910 0.356 3.201 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.609 1.427 5.383 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.618 1.083 4.136 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.966 1.620 5.227 1.00 0.00 C ATOM 0 H PHE A 53 -3.460 -1.065 0.467 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.536 1.067 1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.214 -1.632 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.752 -0.776 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.842 0.551 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.425 -0.061 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.098 1.845 6.238 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.681 1.231 4.014 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.518 2.191 5.959 1.00 0.00 H new ATOM 827 N HIS A 54 0.630 -0.149 0.388 1.00 0.00 N ATOM 828 CA HIS A 54 1.825 -0.771 -0.173 1.00 0.00 C ATOM 829 C HIS A 54 2.183 -1.991 0.648 1.00 0.00 C ATOM 830 O HIS A 54 2.872 -2.896 0.184 1.00 0.00 O ATOM 831 CB HIS A 54 3.023 0.184 -0.152 1.00 0.00 C ATOM 832 CG HIS A 54 2.956 1.313 -1.136 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.185 1.154 -2.485 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.714 2.632 -0.956 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.090 2.323 -3.089 1.00 0.00 C ATOM 836 NE2 HIS A 54 2.804 3.235 -2.184 1.00 0.00 N ATOM 0 H HIS A 54 0.813 0.668 0.971 1.00 0.00 H new ATOM 0 HA HIS A 54 1.606 -1.039 -1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.117 0.602 0.850 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.929 -0.391 -0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.491 3.120 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.224 2.501 -4.146 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.671 4.230 -2.367 1.00 0.00 H new ATOM 845 N GLU A 55 1.693 -1.992 1.876 1.00 0.00 N ATOM 846 CA GLU A 55 2.074 -2.986 2.855 1.00 0.00 C ATOM 847 C GLU A 55 0.837 -3.686 3.403 1.00 0.00 C ATOM 848 O GLU A 55 0.075 -3.106 4.184 1.00 0.00 O ATOM 849 CB GLU A 55 2.858 -2.295 3.970 1.00 0.00 C ATOM 850 CG GLU A 55 4.105 -3.043 4.383 1.00 0.00 C ATOM 851 CD GLU A 55 3.795 -4.275 5.199 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.076 -4.267 6.413 1.00 0.00 O ATOM 853 OE2 GLU A 55 3.257 -5.251 4.640 1.00 0.00 O ATOM 0 H GLU A 55 1.022 -1.304 2.218 1.00 0.00 H new ATOM 0 HA GLU A 55 2.703 -3.747 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.137 -1.294 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.211 -2.176 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.664 -3.332 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.748 -2.380 4.962 1.00 0.00 H new ATOM 860 N HIS A 56 0.645 -4.930 2.987 1.00 0.00 N ATOM 861 CA HIS A 56 -0.542 -5.693 3.347 1.00 0.00 C ATOM 862 C HIS A 56 -0.600 -5.963 4.848 1.00 0.00 C ATOM 863 O HIS A 56 -1.684 -6.017 5.428 1.00 0.00 O ATOM 864 CB HIS A 56 -0.584 -7.010 2.564 1.00 0.00 C ATOM 865 CG HIS A 56 -1.730 -7.902 2.937 1.00 0.00 C ATOM 866 ND1 HIS A 56 -2.990 -7.777 2.395 1.00 0.00 N ATOM 867 CD2 HIS A 56 -1.799 -8.935 3.810 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.783 -8.692 2.916 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.086 -9.408 3.777 1.00 0.00 N ATOM 0 H HIS A 56 1.303 -5.436 2.394 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.415 -5.096 3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.642 -6.786 1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.350 -7.548 2.726 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.266 -7.084 1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.992 -9.315 4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.827 -8.832 2.678 1.00 0.00 H new ATOM 878 N ARG A 57 0.557 -6.114 5.481 1.00 0.00 N ATOM 879 CA ARG A 57 0.598 -6.410 6.909 1.00 0.00 C ATOM 880 C ARG A 57 0.066 -5.228 7.710 1.00 0.00 C ATOM 881 O ARG A 57 -0.501 -5.397 8.787 1.00 0.00 O ATOM 882 CB ARG A 57 2.019 -6.749 7.362 1.00 0.00 C ATOM 883 CG ARG A 57 2.646 -7.918 6.622 1.00 0.00 C ATOM 884 CD ARG A 57 4.102 -8.095 7.023 1.00 0.00 C ATOM 885 NE ARG A 57 4.852 -6.852 6.865 1.00 0.00 N ATOM 886 CZ ARG A 57 6.121 -6.682 7.230 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.817 -7.683 7.753 1.00 0.00 N ATOM 888 NH2 ARG A 57 6.692 -5.497 7.072 1.00 0.00 N ATOM 0 H ARG A 57 1.471 -6.038 5.034 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.035 -7.279 7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.650 -5.870 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.004 -6.974 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.091 -8.831 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.578 -7.752 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.158 -8.426 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.557 -8.876 6.414 1.00 0.00 H new ATOM 0 HE ARG A 57 4.369 -6.058 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.381 -8.596 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.789 -7.539 8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.160 -4.724 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.664 -5.358 7.349 1.00 0.00 H new ATOM 902 N HIS A 58 0.238 -4.028 7.169 1.00 0.00 N ATOM 903 CA HIS A 58 -0.263 -2.822 7.818 1.00 0.00 C ATOM 904 C HIS A 58 -1.711 -2.571 7.431 1.00 0.00 C ATOM 905 O HIS A 58 -2.458 -1.929 8.164 1.00 0.00 O ATOM 906 CB HIS A 58 0.610 -1.610 7.479 1.00 0.00 C ATOM 907 CG HIS A 58 1.830 -1.503 8.344 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.111 -1.361 7.850 1.00 0.00 N ATOM 909 CD2 HIS A 58 1.951 -1.507 9.692 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.961 -1.282 8.856 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.281 -1.369 9.984 1.00 0.00 N ATOM 0 H HIS A 58 0.719 -3.864 6.285 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.217 -2.974 8.896 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.917 -1.671 6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.017 -0.702 7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.146 -1.602 10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.031 -1.166 8.771 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.682 -1.338 10.921 1.00 0.00 H new ATOM 920 N ALA A 59 -2.109 -3.103 6.285 1.00 0.00 N ATOM 921 CA ALA A 59 -3.492 -3.007 5.836 1.00 0.00 C ATOM 922 C ALA A 59 -4.423 -3.704 6.829 1.00 0.00 C ATOM 923 O ALA A 59 -5.554 -3.275 7.052 1.00 0.00 O ATOM 924 CB ALA A 59 -3.635 -3.616 4.449 1.00 0.00 C ATOM 0 H ALA A 59 -1.493 -3.607 5.647 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.773 -1.955 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.672 -3.539 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.994 -3.081 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.341 -4.665 4.480 1.00 0.00 H new ATOM 930 N ALA A 60 -3.915 -4.772 7.436 1.00 0.00 N ATOM 931 CA ALA A 60 -4.662 -5.537 8.429 1.00 0.00 C ATOM 932 C ALA A 60 -5.021 -4.680 9.642 1.00 0.00 C ATOM 933 O ALA A 60 -6.107 -4.807 10.210 1.00 0.00 O ATOM 934 CB ALA A 60 -3.847 -6.742 8.866 1.00 0.00 C ATOM 0 H ALA A 60 -2.978 -5.131 7.255 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.593 -5.871 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.408 -7.311 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.641 -7.375 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.906 -6.406 9.302 1.00 0.00 H new ATOM 940 N ALA A 61 -4.102 -3.808 10.037 1.00 0.00 N ATOM 941 CA ALA A 61 -4.314 -2.944 11.188 1.00 0.00 C ATOM 942 C ALA A 61 -5.402 -1.917 10.900 1.00 0.00 C ATOM 943 O ALA A 61 -6.240 -1.629 11.756 1.00 0.00 O ATOM 944 CB ALA A 61 -3.017 -2.257 11.582 1.00 0.00 C ATOM 0 H ALA A 61 -3.201 -3.681 9.575 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.644 -3.561 12.024 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.193 -1.614 12.445 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.270 -3.009 11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.657 -1.654 10.748 1.00 0.00 H new ATOM 950 N ALA A 62 -5.395 -1.380 9.682 1.00 0.00 N ATOM 951 CA ALA A 62 -6.403 -0.412 9.264 1.00 0.00 C ATOM 952 C ALA A 62 -7.778 -1.062 9.220 1.00 0.00 C ATOM 953 O ALA A 62 -8.775 -0.459 9.623 1.00 0.00 O ATOM 954 CB ALA A 62 -6.050 0.171 7.905 1.00 0.00 C ATOM 0 H ALA A 62 -4.701 -1.600 8.967 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.425 0.398 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.813 0.891 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.083 0.670 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.001 -0.630 7.167 1.00 0.00 H new ATOM 960 N LEU A 63 -7.809 -2.303 8.740 1.00 0.00 N ATOM 961 CA LEU A 63 -9.033 -3.099 8.679 1.00 0.00 C ATOM 962 C LEU A 63 -9.683 -3.179 10.061 1.00 0.00 C ATOM 963 O LEU A 63 -10.904 -3.090 10.195 1.00 0.00 O ATOM 964 CB LEU A 63 -8.685 -4.507 8.151 1.00 0.00 C ATOM 965 CG LEU A 63 -9.855 -5.414 7.722 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.586 -6.000 8.919 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.818 -4.653 6.833 1.00 0.00 C ATOM 0 H LEU A 63 -6.985 -2.786 8.382 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.748 -2.629 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.018 -4.391 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.122 -5.027 8.926 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.434 -6.245 7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.403 -6.633 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.893 -6.596 9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.987 -5.192 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.638 -5.309 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.216 -3.796 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.294 -4.306 5.942 1.00 0.00 H new ATOM 979 N ALA A 64 -8.855 -3.340 11.083 1.00 0.00 N ATOM 980 CA ALA A 64 -9.336 -3.480 12.449 1.00 0.00 C ATOM 981 C ALA A 64 -9.633 -2.128 13.103 1.00 0.00 C ATOM 982 O ALA A 64 -10.768 -1.853 13.495 1.00 0.00 O ATOM 983 CB ALA A 64 -8.318 -4.257 13.271 1.00 0.00 C ATOM 0 H ALA A 64 -7.840 -3.377 10.990 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.278 -4.028 12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.680 -4.361 14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.176 -5.245 12.834 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.368 -3.722 13.275 1.00 0.00 H new ATOM 989 N ALA A 65 -8.615 -1.280 13.189 1.00 0.00 N ATOM 990 CA ALA A 65 -8.678 -0.065 14.001 1.00 0.00 C ATOM 991 C ALA A 65 -9.603 1.003 13.418 1.00 0.00 C ATOM 992 O ALA A 65 -10.097 1.865 14.146 1.00 0.00 O ATOM 993 CB ALA A 65 -7.280 0.505 14.187 1.00 0.00 C ATOM 0 H ALA A 65 -7.728 -1.411 12.703 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.100 -0.352 14.964 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.334 1.410 14.793 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.651 -0.231 14.688 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.852 0.745 13.213 1.00 0.00 H new ATOM 999 N MET A 66 -9.832 0.961 12.115 1.00 0.00 N ATOM 1000 CA MET A 66 -10.657 1.976 11.472 1.00 0.00 C ATOM 1001 C MET A 66 -12.072 1.469 11.224 1.00 0.00 C ATOM 1002 O MET A 66 -12.937 2.217 10.774 1.00 0.00 O ATOM 1003 CB MET A 66 -10.029 2.431 10.152 1.00 0.00 C ATOM 1004 CG MET A 66 -8.699 3.148 10.322 1.00 0.00 C ATOM 1005 SD MET A 66 -8.847 4.674 11.273 1.00 0.00 S ATOM 1006 CE MET A 66 -9.914 5.641 10.204 1.00 0.00 C ATOM 0 H MET A 66 -9.465 0.246 11.487 1.00 0.00 H new ATOM 0 HA MET A 66 -10.712 2.827 12.151 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.883 1.562 9.511 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.726 3.093 9.638 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.993 2.482 10.819 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.285 3.376 9.340 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.899 6.684 10.522 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.560 5.570 9.176 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.933 5.258 10.264 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.312 0.204 11.534 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.612 -0.409 11.281 1.00 0.00 C ATOM 1018 C ASN A 67 -14.664 0.131 12.245 1.00 0.00 C ATOM 1019 O ASN A 67 -14.596 -0.114 13.454 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.516 -1.931 11.410 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.828 -2.631 11.109 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.672 -2.799 11.986 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.003 -3.062 9.868 1.00 0.00 N ATOM 0 H ASN A 67 -11.626 -0.419 11.961 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.914 -0.157 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.748 -2.301 10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.197 -2.186 12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.861 -3.552 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.280 -2.904 9.166 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.620 0.884 11.710 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.724 1.365 12.518 1.00 0.00 C ATOM 1032 C GLY A 68 -16.442 2.701 13.175 1.00 0.00 C ATOM 1033 O GLY A 68 -17.187 3.133 14.055 1.00 0.00 O ATOM 0 H GLY A 68 -15.649 1.169 10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.612 1.455 11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.950 0.628 13.289 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.368 3.358 12.763 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.947 4.588 13.413 1.00 0.00 C ATOM 1039 C ARG A 69 -15.773 5.772 12.917 1.00 0.00 C ATOM 1040 O ARG A 69 -16.097 5.868 11.734 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.456 4.829 13.172 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.851 5.854 14.115 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.337 5.888 14.007 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.736 6.731 15.041 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.604 6.433 15.679 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.932 5.331 15.365 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -9.137 7.243 16.622 1.00 0.00 N ATOM 0 H ARG A 69 -14.776 3.062 11.987 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.113 4.488 14.486 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.921 3.886 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.311 5.161 12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.255 6.841 13.888 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.138 5.620 15.140 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.944 4.875 14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.051 6.260 13.023 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.212 7.599 15.288 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.282 4.711 14.635 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.066 5.105 15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.645 8.095 16.860 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.271 7.013 17.109 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.125 6.661 13.830 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.925 7.827 13.487 1.00 0.00 C ATOM 1063 C LYS A 70 -16.048 8.921 12.894 1.00 0.00 C ATOM 1064 O LYS A 70 -15.187 9.476 13.576 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.657 8.357 14.725 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.395 9.671 14.495 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.526 9.529 13.487 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.647 8.649 14.018 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.223 9.174 15.286 1.00 0.00 N ATOM 0 H LYS A 70 -15.870 6.599 14.816 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.663 7.528 12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.371 7.605 15.061 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.935 8.494 15.530 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.798 10.029 15.442 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.690 10.424 14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.922 10.515 13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.137 9.104 12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.434 8.574 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.267 7.641 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.146 8.728 15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.581 8.958 16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.345 10.204 15.212 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.265 9.221 11.621 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.538 10.293 10.958 1.00 0.00 C ATOM 1085 C ILE A 71 -16.510 11.341 10.437 1.00 0.00 C ATOM 1086 O ILE A 71 -17.392 11.037 9.629 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.661 9.764 9.796 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.614 8.775 10.328 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.986 10.919 9.059 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.714 8.199 9.257 1.00 0.00 C ATOM 0 H ILE A 71 -16.939 8.737 11.027 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.875 10.744 11.696 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.304 9.241 9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.999 9.279 11.073 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.126 7.958 10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.375 10.525 8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.747 11.584 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.354 11.473 9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.002 7.510 9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.318 7.665 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.173 9.006 8.764 1.00 0.00 H new ATOM 1102 N MET A 72 -16.351 12.566 10.934 1.00 0.00 N ATOM 1103 CA MET A 72 -17.188 13.702 10.552 1.00 0.00 C ATOM 1104 C MET A 72 -18.627 13.514 11.023 1.00 0.00 C ATOM 1105 O MET A 72 -19.010 14.023 12.078 1.00 0.00 O ATOM 1106 CB MET A 72 -17.141 13.954 9.038 1.00 0.00 C ATOM 1107 CG MET A 72 -15.811 14.507 8.545 1.00 0.00 C ATOM 1108 SD MET A 72 -15.404 16.100 9.290 1.00 0.00 S ATOM 1109 CE MET A 72 -13.872 16.484 8.444 1.00 0.00 C ATOM 0 H MET A 72 -15.632 12.800 11.619 1.00 0.00 H new ATOM 0 HA MET A 72 -16.781 14.583 11.049 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.350 13.019 8.517 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.935 14.652 8.771 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.019 13.792 8.769 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.846 14.615 7.461 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.492 17.443 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.138 15.705 8.650 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.053 16.538 7.370 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.413 12.771 10.258 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.800 12.560 10.615 1.00 0.00 C ATOM 1121 C GLY A 73 -21.326 11.215 10.163 1.00 0.00 C ATOM 1122 O GLY A 73 -22.533 10.976 10.185 1.00 0.00 O ATOM 0 H GLY A 73 -19.115 12.311 9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.908 12.642 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.408 13.349 10.173 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.428 10.334 9.750 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.814 8.998 9.317 1.00 0.00 C ATOM 1128 C LYS A 74 -19.858 7.963 9.892 1.00 0.00 C ATOM 1129 O LYS A 74 -18.660 8.220 10.041 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.844 8.901 7.784 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.950 9.725 7.132 1.00 0.00 C ATOM 1132 CD LYS A 74 -21.947 9.579 5.616 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.289 8.161 5.180 1.00 0.00 C ATOM 1134 NZ LYS A 74 -23.719 7.823 5.402 1.00 0.00 N ATOM 0 H LYS A 74 -19.426 10.519 9.705 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.819 8.798 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.881 9.228 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.967 7.856 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.917 9.411 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.824 10.775 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.666 10.275 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.966 9.851 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.052 8.043 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.664 7.456 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.913 6.873 5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.926 7.842 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.320 8.518 4.914 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.402 6.814 10.259 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.603 5.720 10.779 1.00 0.00 C ATOM 1150 C GLU A 75 -18.994 4.956 9.619 1.00 0.00 C ATOM 1151 O GLU A 75 -19.703 4.267 8.881 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.454 4.764 11.626 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.491 5.448 12.503 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.774 5.762 11.755 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -22.908 6.887 11.234 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -23.653 4.877 11.677 1.00 0.00 O ATOM 0 H GLU A 75 -21.401 6.616 10.205 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.820 6.135 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -20.963 4.066 10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.792 4.175 12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -21.719 4.808 13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.072 6.372 12.901 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.691 5.081 9.457 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.007 4.458 8.341 1.00 0.00 C ATOM 1165 C VAL A 76 -16.951 2.955 8.516 1.00 0.00 C ATOM 1166 O VAL A 76 -16.888 2.443 9.636 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.574 4.994 8.170 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.582 6.510 8.063 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.684 4.528 9.313 1.00 0.00 C ATOM 0 H VAL A 76 -17.085 5.609 10.085 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.579 4.706 7.447 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.163 4.593 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.561 6.872 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.177 6.811 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.013 6.936 8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.676 4.918 9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.085 4.893 10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.652 3.439 9.329 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.974 2.247 7.413 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.897 0.806 7.455 1.00 0.00 C ATOM 1181 C LYS A 77 -15.745 0.328 6.615 1.00 0.00 C ATOM 1182 O LYS A 77 -15.559 0.777 5.491 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.201 0.192 6.983 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.370 0.596 7.851 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.669 0.058 7.298 1.00 0.00 C ATOM 1186 CE LYS A 77 -20.734 -1.457 7.370 1.00 0.00 C ATOM 1187 NZ LYS A 77 -22.018 -1.975 6.831 1.00 0.00 N ATOM 0 H LYS A 77 -17.045 2.644 6.476 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.729 0.491 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.392 0.497 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.110 -0.894 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.220 0.223 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.421 1.683 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.504 0.483 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.782 0.377 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.904 -1.885 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.617 -1.778 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.028 -3.013 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.809 -1.586 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.117 -1.689 5.836 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.981 -0.579 7.171 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.754 -1.024 6.538 1.00 0.00 C ATOM 1203 C VAL A 78 -13.773 -2.526 6.340 1.00 0.00 C ATOM 1204 O VAL A 78 -13.717 -3.292 7.303 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.507 -0.631 7.362 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.231 -1.012 6.627 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.516 0.858 7.676 1.00 0.00 C ATOM 0 H VAL A 78 -15.184 -1.028 8.064 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.695 -0.527 5.570 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.537 -1.181 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.367 -0.726 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.216 -2.089 6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.195 -0.495 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.629 1.113 8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.516 1.426 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.409 1.103 8.251 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.875 -2.938 5.090 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.846 -4.348 4.737 1.00 0.00 C ATOM 1219 C ASN A 79 -12.724 -4.590 3.742 1.00 0.00 C ATOM 1220 O ASN A 79 -12.409 -3.720 2.932 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.184 -4.793 4.130 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.357 -4.679 5.094 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -17.492 -4.438 4.681 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.100 -4.860 6.381 1.00 0.00 N ATOM 0 H ASN A 79 -13.980 -2.310 4.293 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.675 -4.931 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.391 -4.190 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.097 -5.827 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.854 -4.801 7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.148 -5.058 6.688 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.109 -5.754 3.817 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.031 -6.098 2.906 1.00 0.00 C ATOM 1233 C TRP A 80 -11.587 -6.392 1.518 1.00 0.00 C ATOM 1234 O TRP A 80 -12.239 -7.411 1.293 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.211 -7.281 3.447 1.00 0.00 C ATOM 1236 CG TRP A 80 -11.033 -8.349 4.115 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.513 -8.325 5.393 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -11.455 -9.599 3.554 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -12.219 -9.470 5.656 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -12.197 -10.271 4.544 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -11.284 -10.213 2.312 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -12.764 -11.523 4.328 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -11.849 -11.455 2.099 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -12.580 -12.098 3.103 1.00 0.00 C ATOM 0 H TRP A 80 -12.336 -6.478 4.498 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.357 -5.245 2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -9.654 -7.729 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.478 -6.904 4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -11.359 -7.520 6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -12.685 -9.690 6.536 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -10.720 -9.725 1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -13.329 -12.022 5.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -11.724 -11.938 1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -13.008 -13.070 2.905 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.345 -5.471 0.597 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.857 -5.592 -0.754 1.00 0.00 C ATOM 1257 C ALA A 81 -10.892 -6.391 -1.609 1.00 0.00 C ATOM 1258 O ALA A 81 -9.845 -5.892 -2.022 1.00 0.00 O ATOM 1259 CB ALA A 81 -12.105 -4.217 -1.362 1.00 0.00 C ATOM 0 H ALA A 81 -10.794 -4.629 0.765 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.809 -6.121 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.489 -4.331 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.834 -3.678 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.170 -3.657 -1.389 1.00 0.00 H new