USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -163:sc=-0.00237 (180deg=-0.0995) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= 1.18 (180deg=-0.967) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 47 TYR OH : rot 18:sc= 0.459 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.346 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.093 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.05) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= -6.03! USER MOD Single : A 86 LYS NZ :NH3+ -138:sc= -0.156 (180deg=-2.35!) USER MOD Single : A 88 TYR OH : rot 38:sc= -0.995 USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000204) USER MOD Single : A 95 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.77) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 99 TYR OH : rot -3:sc= -1.44 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 147:sc= -0.952! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -4.34 K(o=-4.3,f=-10!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -3.868 9.162 4.215 1.00 0.00 N ATOM 98 CA VAL A 9 -2.506 8.672 4.387 1.00 0.00 C ATOM 99 C VAL A 9 -2.378 7.845 5.661 1.00 0.00 C ATOM 100 O VAL A 9 -3.001 8.153 6.678 1.00 0.00 O ATOM 101 CB VAL A 9 -1.493 9.831 4.437 1.00 0.00 C ATOM 102 CG1 VAL A 9 -0.068 9.298 4.412 1.00 0.00 C ATOM 103 CG2 VAL A 9 -1.728 10.797 3.286 1.00 0.00 C ATOM 0 HA VAL A 9 -2.284 8.044 3.524 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.637 10.373 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.633 10.132 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.094 8.651 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.092 8.729 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.003 11.609 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.614 10.269 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.736 11.206 3.354 1.00 0.00 H new ATOM 113 N THR A 10 -1.569 6.792 5.601 1.00 0.00 N ATOM 114 CA THR A 10 -1.362 5.921 6.752 1.00 0.00 C ATOM 115 C THR A 10 0.112 5.564 6.911 1.00 0.00 C ATOM 116 O THR A 10 0.823 5.368 5.925 1.00 0.00 O ATOM 117 CB THR A 10 -2.194 4.646 6.608 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.543 4.958 6.309 1.00 0.00 O ATOM 119 CG2 THR A 10 -2.187 3.783 7.851 1.00 0.00 C ATOM 0 H THR A 10 -1.046 6.522 4.768 1.00 0.00 H new ATOM 0 HA THR A 10 -1.683 6.459 7.644 1.00 0.00 H new ATOM 0 HB THR A 10 -1.728 4.088 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.058 4.129 6.219 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.796 2.895 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.164 3.483 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.596 4.348 8.689 1.00 0.00 H new ATOM 127 N VAL A 11 0.564 5.480 8.158 1.00 0.00 N ATOM 128 CA VAL A 11 1.953 5.146 8.449 1.00 0.00 C ATOM 129 C VAL A 11 2.129 3.640 8.621 1.00 0.00 C ATOM 130 O VAL A 11 1.256 2.960 9.161 1.00 0.00 O ATOM 131 CB VAL A 11 2.452 5.867 9.717 1.00 0.00 C ATOM 132 CG1 VAL A 11 1.625 5.461 10.929 1.00 0.00 C ATOM 133 CG2 VAL A 11 3.929 5.582 9.949 1.00 0.00 C ATOM 0 H VAL A 11 -0.013 5.639 8.984 1.00 0.00 H new ATOM 0 HA VAL A 11 2.547 5.481 7.599 1.00 0.00 H new ATOM 0 HB VAL A 11 2.331 6.940 9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.994 5.982 11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.581 5.725 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.707 4.385 11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.263 6.100 10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.078 4.509 10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.506 5.933 9.093 1.00 0.00 H new ATOM 143 N VAL A 12 3.262 3.124 8.155 1.00 0.00 N ATOM 144 CA VAL A 12 3.550 1.698 8.255 1.00 0.00 C ATOM 145 C VAL A 12 4.984 1.454 8.716 1.00 0.00 C ATOM 146 O VAL A 12 5.917 1.486 7.914 1.00 0.00 O ATOM 147 CB VAL A 12 3.333 0.988 6.906 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.390 -0.520 7.085 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.008 1.408 6.286 1.00 0.00 C ATOM 0 H VAL A 12 3.995 3.672 7.705 1.00 0.00 H new ATOM 0 HA VAL A 12 2.860 1.288 8.993 1.00 0.00 H new ATOM 0 HB VAL A 12 4.133 1.283 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.235 -1.007 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.365 -0.803 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.611 -0.834 7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.873 0.895 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.192 1.144 6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.009 2.485 6.121 1.00 0.00 H new ATOM 159 N VAL A 13 5.152 1.206 10.011 1.00 0.00 N ATOM 160 CA VAL A 13 6.473 0.950 10.574 1.00 0.00 C ATOM 161 C VAL A 13 6.651 -0.535 10.885 1.00 0.00 C ATOM 162 O VAL A 13 5.676 -1.280 10.969 1.00 0.00 O ATOM 163 CB VAL A 13 6.712 1.781 11.853 1.00 0.00 C ATOM 164 CG1 VAL A 13 5.708 1.413 12.935 1.00 0.00 C ATOM 165 CG2 VAL A 13 8.137 1.601 12.355 1.00 0.00 C ATOM 0 H VAL A 13 4.391 1.177 10.690 1.00 0.00 H new ATOM 0 HA VAL A 13 7.207 1.249 9.826 1.00 0.00 H new ATOM 0 HB VAL A 13 6.569 2.833 11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.897 2.012 13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.698 1.607 12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.809 0.356 13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.283 2.196 13.257 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.313 0.549 12.581 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.837 1.929 11.587 1.00 0.00 H new ATOM 175 N ALA A 14 7.900 -0.961 11.040 1.00 0.00 N ATOM 176 CA ALA A 14 8.209 -2.361 11.328 1.00 0.00 C ATOM 177 C ALA A 14 7.312 -2.938 12.424 1.00 0.00 C ATOM 178 O ALA A 14 6.952 -4.115 12.385 1.00 0.00 O ATOM 179 CB ALA A 14 9.672 -2.501 11.719 1.00 0.00 C ATOM 0 H ALA A 14 8.719 -0.356 10.971 1.00 0.00 H new ATOM 0 HA ALA A 14 8.017 -2.932 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.893 -3.547 11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.302 -2.156 10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.870 -1.900 12.607 1.00 0.00 H new ATOM 185 N LYS A 15 6.968 -2.112 13.407 1.00 0.00 N ATOM 186 CA LYS A 15 6.129 -2.552 14.520 1.00 0.00 C ATOM 187 C LYS A 15 4.637 -2.425 14.205 1.00 0.00 C ATOM 188 O LYS A 15 3.796 -2.869 14.985 1.00 0.00 O ATOM 189 CB LYS A 15 6.462 -1.748 15.778 1.00 0.00 C ATOM 190 CG LYS A 15 7.706 -2.236 16.501 1.00 0.00 C ATOM 191 CD LYS A 15 8.260 -1.174 17.437 1.00 0.00 C ATOM 192 CE LYS A 15 8.816 -1.788 18.712 1.00 0.00 C ATOM 193 NZ LYS A 15 7.735 -2.293 19.603 1.00 0.00 N ATOM 0 H LYS A 15 7.256 -1.135 13.457 1.00 0.00 H new ATOM 0 HA LYS A 15 6.342 -3.608 14.688 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.598 -0.702 15.505 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.614 -1.791 16.462 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.468 -3.135 17.069 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.467 -2.512 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.046 -0.614 16.929 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.473 -0.463 17.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.488 -2.607 18.457 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.408 -1.044 19.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.113 -2.435 20.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.960 -1.600 19.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.376 -3.197 19.235 1.00 0.00 H new ATOM 207 N ASN A 16 4.309 -1.810 13.073 1.00 0.00 N ATOM 208 CA ASN A 16 2.913 -1.625 12.686 1.00 0.00 C ATOM 209 C ASN A 16 2.556 -2.454 11.456 1.00 0.00 C ATOM 210 O ASN A 16 1.528 -3.131 11.431 1.00 0.00 O ATOM 211 CB ASN A 16 2.636 -0.147 12.408 1.00 0.00 C ATOM 212 CG ASN A 16 1.323 0.318 13.005 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.294 0.924 14.076 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.226 0.035 12.312 1.00 0.00 N ATOM 0 H ASN A 16 4.986 -1.433 12.410 1.00 0.00 H new ATOM 0 HA ASN A 16 2.293 -1.965 13.515 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.449 0.455 12.814 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.622 0.021 11.331 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.687 0.322 12.663 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.297 -0.470 11.428 1.00 0.00 H new ATOM 221 N TYR A 17 3.404 -2.385 10.434 1.00 0.00 N ATOM 222 CA TYR A 17 3.176 -3.117 9.191 1.00 0.00 C ATOM 223 C TYR A 17 2.722 -4.552 9.457 1.00 0.00 C ATOM 224 O TYR A 17 1.752 -5.017 8.876 1.00 0.00 O ATOM 225 CB TYR A 17 4.449 -3.108 8.331 1.00 0.00 C ATOM 226 CG TYR A 17 5.171 -4.438 8.270 1.00 0.00 C ATOM 227 CD1 TYR A 17 4.764 -5.427 7.385 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.252 -4.702 9.099 1.00 0.00 C ATOM 229 CE1 TYR A 17 5.415 -6.644 7.325 1.00 0.00 C ATOM 230 CE2 TYR A 17 6.912 -5.917 9.045 1.00 0.00 C ATOM 231 CZ TYR A 17 6.490 -6.883 8.156 1.00 0.00 C ATOM 232 OH TYR A 17 7.142 -8.094 8.100 1.00 0.00 O ATOM 0 H TYR A 17 4.258 -1.828 10.442 1.00 0.00 H new ATOM 0 HA TYR A 17 2.375 -2.614 8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.186 -2.804 7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.132 -2.355 8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.924 -5.242 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.583 -3.948 9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.084 -7.404 6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.753 -6.108 9.695 1.00 0.00 H new ATOM 0 HH TYR A 17 7.877 -8.100 8.749 1.00 0.00 H new ATOM 242 N ASN A 18 3.440 -5.248 10.328 1.00 0.00 N ATOM 243 CA ASN A 18 3.117 -6.634 10.657 1.00 0.00 C ATOM 244 C ASN A 18 1.644 -6.802 11.040 1.00 0.00 C ATOM 245 O ASN A 18 1.049 -7.853 10.800 1.00 0.00 O ATOM 246 CB ASN A 18 4.020 -7.130 11.793 1.00 0.00 C ATOM 247 CG ASN A 18 3.586 -6.631 13.162 1.00 0.00 C ATOM 248 OD1 ASN A 18 3.360 -7.422 14.078 1.00 0.00 O ATOM 249 ND2 ASN A 18 3.467 -5.316 13.309 1.00 0.00 N ATOM 0 H ASN A 18 4.252 -4.877 10.821 1.00 0.00 H new ATOM 0 HA ASN A 18 3.294 -7.235 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.025 -8.220 11.795 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.043 -6.807 11.603 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.179 -4.927 14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.664 -4.695 12.524 1.00 0.00 H new ATOM 256 N GLU A 19 1.066 -5.773 11.650 1.00 0.00 N ATOM 257 CA GLU A 19 -0.329 -5.825 12.079 1.00 0.00 C ATOM 258 C GLU A 19 -1.296 -5.581 10.921 1.00 0.00 C ATOM 259 O GLU A 19 -2.141 -6.423 10.621 1.00 0.00 O ATOM 260 CB GLU A 19 -0.577 -4.798 13.185 1.00 0.00 C ATOM 261 CG GLU A 19 -0.321 -5.335 14.583 1.00 0.00 C ATOM 262 CD GLU A 19 -0.505 -4.280 15.656 1.00 0.00 C ATOM 263 OE1 GLU A 19 -1.303 -3.344 15.437 1.00 0.00 O ATOM 264 OE2 GLU A 19 0.148 -4.390 16.715 1.00 0.00 O ATOM 0 H GLU A 19 1.540 -4.894 11.859 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.515 -6.829 12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.063 -3.932 13.015 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.608 -4.450 13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.997 -6.168 14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.694 -5.729 14.637 1.00 0.00 H new ATOM 271 N ILE A 20 -1.180 -4.420 10.288 1.00 0.00 N ATOM 272 CA ILE A 20 -2.058 -4.058 9.177 1.00 0.00 C ATOM 273 C ILE A 20 -2.044 -5.108 8.067 1.00 0.00 C ATOM 274 O ILE A 20 -3.075 -5.394 7.457 1.00 0.00 O ATOM 275 CB ILE A 20 -1.664 -2.694 8.578 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.188 -2.695 8.173 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.947 -1.579 9.573 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.279 -1.376 7.596 1.00 0.00 C ATOM 0 H ILE A 20 -0.486 -3.711 10.524 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.065 -4.000 9.590 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.264 -2.519 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.420 -2.937 9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.021 -3.483 7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.664 -0.621 9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.010 -1.568 9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.370 -1.748 10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.334 -1.448 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.304 -1.142 6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.144 -0.587 8.336 1.00 0.00 H new ATOM 290 N VAL A 21 -0.872 -5.668 7.803 1.00 0.00 N ATOM 291 CA VAL A 21 -0.713 -6.675 6.760 1.00 0.00 C ATOM 292 C VAL A 21 -1.286 -8.024 7.186 1.00 0.00 C ATOM 293 O VAL A 21 -1.874 -8.740 6.376 1.00 0.00 O ATOM 294 CB VAL A 21 0.772 -6.851 6.382 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.358 -5.532 5.896 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.570 -7.393 7.560 1.00 0.00 C ATOM 0 H VAL A 21 -0.011 -5.441 8.300 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.267 -6.319 5.892 1.00 0.00 H new ATOM 0 HB VAL A 21 0.835 -7.575 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.406 -5.674 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.808 -5.190 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.280 -4.786 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.614 -7.509 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.501 -6.698 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.167 -8.361 7.858 1.00 0.00 H new ATOM 306 N LEU A 22 -1.109 -8.369 8.457 1.00 0.00 N ATOM 307 CA LEU A 22 -1.607 -9.636 8.979 1.00 0.00 C ATOM 308 C LEU A 22 -3.116 -9.588 9.225 1.00 0.00 C ATOM 309 O LEU A 22 -3.730 -10.604 9.553 1.00 0.00 O ATOM 310 CB LEU A 22 -0.877 -9.998 10.274 1.00 0.00 C ATOM 311 CG LEU A 22 0.574 -10.451 10.092 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.252 -10.622 11.442 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.630 -11.747 9.297 1.00 0.00 C ATOM 0 H LEU A 22 -0.625 -7.790 9.143 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.413 -10.403 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.892 -9.132 10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.430 -10.792 10.776 1.00 0.00 H new ATOM 0 HG LEU A 22 1.109 -9.682 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.283 -10.944 11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.242 -9.672 11.977 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.718 -11.372 12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.669 -12.055 9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.080 -12.524 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.181 -11.592 8.316 1.00 0.00 H new ATOM 325 N ASP A 23 -3.712 -8.408 9.065 1.00 0.00 N ATOM 326 CA ASP A 23 -5.147 -8.243 9.272 1.00 0.00 C ATOM 327 C ASP A 23 -5.941 -9.052 8.252 1.00 0.00 C ATOM 328 O ASP A 23 -6.022 -8.684 7.080 1.00 0.00 O ATOM 329 CB ASP A 23 -5.531 -6.765 9.180 1.00 0.00 C ATOM 330 CG ASP A 23 -5.513 -6.078 10.531 1.00 0.00 C ATOM 331 OD1 ASP A 23 -4.539 -6.278 11.286 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.475 -5.341 10.834 1.00 0.00 O ATOM 0 H ASP A 23 -3.224 -7.555 8.793 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.389 -8.612 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.842 -6.255 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.526 -6.677 8.744 1.00 0.00 H new ATOM 337 N ASP A 24 -6.526 -10.155 8.707 1.00 0.00 N ATOM 338 CA ASP A 24 -7.315 -11.020 7.837 1.00 0.00 C ATOM 339 C ASP A 24 -8.717 -10.455 7.611 1.00 0.00 C ATOM 340 O ASP A 24 -9.446 -10.923 6.737 1.00 0.00 O ATOM 341 CB ASP A 24 -7.411 -12.424 8.435 1.00 0.00 C ATOM 342 CG ASP A 24 -8.001 -12.419 9.832 1.00 0.00 C ATOM 343 OD1 ASP A 24 -7.410 -11.773 10.723 1.00 0.00 O ATOM 344 OD2 ASP A 24 -9.053 -13.059 10.035 1.00 0.00 O ATOM 0 H ASP A 24 -6.468 -10.472 9.675 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.810 -11.071 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.024 -13.051 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.418 -12.872 8.465 1.00 0.00 H new ATOM 349 N THR A 25 -9.093 -9.454 8.403 1.00 0.00 N ATOM 350 CA THR A 25 -10.410 -8.841 8.282 1.00 0.00 C ATOM 351 C THR A 25 -10.312 -7.431 7.703 1.00 0.00 C ATOM 352 O THR A 25 -11.157 -6.579 7.979 1.00 0.00 O ATOM 353 CB THR A 25 -11.101 -8.797 9.645 1.00 0.00 C ATOM 354 OG1 THR A 25 -10.547 -9.764 10.520 1.00 0.00 O ATOM 355 CG2 THR A 25 -12.591 -9.049 9.569 1.00 0.00 C ATOM 0 H THR A 25 -8.505 -9.052 9.133 1.00 0.00 H new ATOM 0 HA THR A 25 -11.002 -9.451 7.599 1.00 0.00 H new ATOM 0 HB THR A 25 -10.938 -7.786 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.001 -9.719 11.387 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.019 -9.004 10.570 1.00 0.00 H new ATOM 0 HG22 THR A 25 -13.057 -8.290 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 25 -12.772 -10.035 9.141 1.00 0.00 H new ATOM 363 N LYS A 26 -9.280 -7.191 6.901 1.00 0.00 N ATOM 364 CA LYS A 26 -9.081 -5.883 6.287 1.00 0.00 C ATOM 365 C LYS A 26 -7.934 -5.917 5.281 1.00 0.00 C ATOM 366 O LYS A 26 -6.849 -6.416 5.577 1.00 0.00 O ATOM 367 CB LYS A 26 -8.802 -4.830 7.363 1.00 0.00 C ATOM 368 CG LYS A 26 -10.012 -3.973 7.702 1.00 0.00 C ATOM 369 CD LYS A 26 -9.733 -2.495 7.478 1.00 0.00 C ATOM 370 CE LYS A 26 -10.384 -1.636 8.550 1.00 0.00 C ATOM 371 NZ LYS A 26 -11.870 -1.672 8.464 1.00 0.00 N ATOM 0 H LYS A 26 -8.570 -7.883 6.661 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.995 -5.618 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.456 -5.330 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.992 -4.183 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.859 -4.281 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.294 -4.137 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.657 -2.323 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.105 -2.198 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.069 -1.983 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.039 -0.607 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.250 -0.718 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.155 -2.003 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.244 -2.320 9.186 1.00 0.00 H new ATOM 385 N ASP A 27 -8.183 -5.381 4.090 1.00 0.00 N ATOM 386 CA ASP A 27 -7.172 -5.345 3.039 1.00 0.00 C ATOM 387 C ASP A 27 -6.248 -4.145 3.219 1.00 0.00 C ATOM 388 O ASP A 27 -6.701 -3.042 3.525 1.00 0.00 O ATOM 389 CB ASP A 27 -7.839 -5.291 1.662 1.00 0.00 C ATOM 390 CG ASP A 27 -7.831 -6.636 0.963 1.00 0.00 C ATOM 391 OD1 ASP A 27 -8.477 -7.575 1.474 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.179 -6.751 -0.096 1.00 0.00 O ATOM 0 H ASP A 27 -9.077 -4.965 3.829 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.576 -6.255 3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.868 -4.948 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.324 -4.558 1.040 1.00 0.00 H new ATOM 397 N VAL A 28 -4.951 -4.366 3.031 1.00 0.00 N ATOM 398 CA VAL A 28 -3.968 -3.299 3.177 1.00 0.00 C ATOM 399 C VAL A 28 -2.978 -3.292 2.017 1.00 0.00 C ATOM 400 O VAL A 28 -2.646 -4.340 1.463 1.00 0.00 O ATOM 401 CB VAL A 28 -3.192 -3.429 4.501 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.313 -2.209 4.728 1.00 0.00 C ATOM 403 CG2 VAL A 28 -4.153 -3.628 5.663 1.00 0.00 C ATOM 0 H VAL A 28 -4.557 -5.272 2.778 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.522 -2.360 3.178 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.546 -4.305 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.773 -2.320 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.600 -2.117 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.935 -1.315 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.588 -3.718 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.826 -2.773 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.735 -4.536 5.503 1.00 0.00 H new ATOM 413 N LEU A 29 -2.511 -2.101 1.656 1.00 0.00 N ATOM 414 CA LEU A 29 -1.557 -1.949 0.562 1.00 0.00 C ATOM 415 C LEU A 29 -0.413 -1.027 0.969 1.00 0.00 C ATOM 416 O LEU A 29 -0.579 0.191 1.036 1.00 0.00 O ATOM 417 CB LEU A 29 -2.253 -1.393 -0.685 1.00 0.00 C ATOM 418 CG LEU A 29 -3.739 -1.738 -0.816 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.421 -0.791 -1.791 1.00 0.00 C ATOM 420 CD2 LEU A 29 -3.914 -3.183 -1.259 1.00 0.00 C ATOM 0 H LEU A 29 -2.778 -1.225 2.106 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.150 -2.933 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.148 -0.308 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.732 -1.764 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.208 -1.621 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.477 -1.050 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.326 0.233 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.950 -0.876 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.976 -3.411 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.431 -3.328 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.460 -3.847 -0.523 1.00 0.00 H new ATOM 432 N ILE A 30 0.749 -1.613 1.240 1.00 0.00 N ATOM 433 CA ILE A 30 1.919 -0.839 1.641 1.00 0.00 C ATOM 434 C ILE A 30 2.874 -0.645 0.468 1.00 0.00 C ATOM 435 O ILE A 30 3.241 -1.603 -0.209 1.00 0.00 O ATOM 436 CB ILE A 30 2.672 -1.520 2.803 1.00 0.00 C ATOM 437 CG1 ILE A 30 3.861 -0.664 3.247 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.137 -2.911 2.396 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.675 -1.289 4.359 1.00 0.00 C ATOM 0 H ILE A 30 0.906 -2.620 1.189 1.00 0.00 H new ATOM 0 HA ILE A 30 1.559 0.134 1.976 1.00 0.00 H new ATOM 0 HB ILE A 30 1.987 -1.620 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.510 -0.485 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.495 0.308 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.666 -3.376 3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.273 -3.520 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.805 -2.835 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.500 -0.627 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.041 -1.443 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.071 -2.248 4.025 1.00 0.00 H new ATOM 451 N GLU A 31 3.273 0.601 0.231 1.00 0.00 N ATOM 452 CA GLU A 31 4.186 0.913 -0.864 1.00 0.00 C ATOM 453 C GLU A 31 5.483 1.522 -0.341 1.00 0.00 C ATOM 454 O GLU A 31 5.465 2.506 0.398 1.00 0.00 O ATOM 455 CB GLU A 31 3.521 1.871 -1.854 1.00 0.00 C ATOM 456 CG GLU A 31 4.265 1.994 -3.174 1.00 0.00 C ATOM 457 CD GLU A 31 3.418 1.588 -4.364 1.00 0.00 C ATOM 458 OE1 GLU A 31 2.449 0.824 -4.171 1.00 0.00 O ATOM 459 OE2 GLU A 31 3.724 2.033 -5.490 1.00 0.00 O ATOM 0 H GLU A 31 2.980 1.409 0.780 1.00 0.00 H new ATOM 0 HA GLU A 31 4.427 -0.019 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.504 1.530 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.444 2.857 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.597 3.024 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.160 1.372 -3.141 1.00 0.00 H new ATOM 466 N PHE A 32 6.607 0.931 -0.733 1.00 0.00 N ATOM 467 CA PHE A 32 7.915 1.414 -0.308 1.00 0.00 C ATOM 468 C PHE A 32 8.531 2.315 -1.372 1.00 0.00 C ATOM 469 O PHE A 32 8.789 1.879 -2.496 1.00 0.00 O ATOM 470 CB PHE A 32 8.849 0.238 -0.017 1.00 0.00 C ATOM 471 CG PHE A 32 8.631 -0.382 1.333 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.150 0.210 2.474 1.00 0.00 C ATOM 473 CD2 PHE A 32 7.907 -1.556 1.461 1.00 0.00 C ATOM 474 CE1 PHE A 32 8.951 -0.358 3.718 1.00 0.00 C ATOM 475 CE2 PHE A 32 7.704 -2.129 2.703 1.00 0.00 C ATOM 476 CZ PHE A 32 8.227 -1.529 3.832 1.00 0.00 C ATOM 0 H PHE A 32 6.638 0.116 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 32 7.781 1.995 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.711 -0.524 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.882 0.579 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.716 1.126 2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.497 -2.029 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.361 0.113 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.137 -3.044 2.790 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.070 -1.975 4.803 1.00 0.00 H new ATOM 486 N TYR A 33 8.763 3.573 -1.012 1.00 0.00 N ATOM 487 CA TYR A 33 9.347 4.539 -1.936 1.00 0.00 C ATOM 488 C TYR A 33 10.447 5.349 -1.257 1.00 0.00 C ATOM 489 O TYR A 33 10.672 5.224 -0.053 1.00 0.00 O ATOM 490 CB TYR A 33 8.264 5.477 -2.474 1.00 0.00 C ATOM 491 CG TYR A 33 7.669 6.385 -1.420 1.00 0.00 C ATOM 492 CD1 TYR A 33 6.849 5.877 -0.420 1.00 0.00 C ATOM 493 CD2 TYR A 33 7.928 7.750 -1.426 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.304 6.704 0.544 1.00 0.00 C ATOM 495 CE2 TYR A 33 7.388 8.583 -0.465 1.00 0.00 C ATOM 496 CZ TYR A 33 6.577 8.055 0.517 1.00 0.00 C ATOM 497 OH TYR A 33 6.036 8.881 1.476 1.00 0.00 O ATOM 0 H TYR A 33 8.555 3.948 -0.086 1.00 0.00 H new ATOM 0 HA TYR A 33 9.789 3.989 -2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.688 6.088 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.468 4.881 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.634 4.819 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.562 8.167 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.668 6.294 1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.600 9.642 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 33 6.327 9.803 1.315 1.00 0.00 H new ATOM 507 N ALA A 34 11.129 6.180 -2.040 1.00 0.00 N ATOM 508 CA ALA A 34 12.204 7.015 -1.518 1.00 0.00 C ATOM 509 C ALA A 34 12.221 8.378 -2.205 1.00 0.00 C ATOM 510 O ALA A 34 11.908 8.487 -3.391 1.00 0.00 O ATOM 511 CB ALA A 34 13.545 6.317 -1.691 1.00 0.00 C ATOM 0 H ALA A 34 10.955 6.292 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 34 12.025 7.175 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.339 6.951 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.535 5.371 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.723 6.128 -2.750 1.00 0.00 H new ATOM 517 N PRO A 35 12.587 9.442 -1.469 1.00 0.00 N ATOM 518 CA PRO A 35 12.642 10.800 -2.019 1.00 0.00 C ATOM 519 C PRO A 35 13.781 10.975 -3.017 1.00 0.00 C ATOM 520 O PRO A 35 13.591 11.524 -4.103 1.00 0.00 O ATOM 521 CB PRO A 35 12.871 11.677 -0.787 1.00 0.00 C ATOM 522 CG PRO A 35 13.535 10.780 0.200 1.00 0.00 C ATOM 523 CD PRO A 35 12.977 9.405 -0.047 1.00 0.00 C ATOM 0 HA PRO A 35 11.737 11.051 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.498 12.537 -1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.930 12.066 -0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.617 10.791 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.333 11.105 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.719 8.630 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.123 9.196 0.598 1.00 0.00 H new ATOM 531 N TRP A 36 14.966 10.501 -2.644 1.00 0.00 N ATOM 532 CA TRP A 36 16.137 10.602 -3.509 1.00 0.00 C ATOM 533 C TRP A 36 16.116 9.530 -4.599 1.00 0.00 C ATOM 534 O TRP A 36 16.992 9.496 -5.463 1.00 0.00 O ATOM 535 CB TRP A 36 17.419 10.478 -2.683 1.00 0.00 C ATOM 536 CG TRP A 36 17.421 9.295 -1.763 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.480 7.979 -2.120 1.00 0.00 C ATOM 538 CD2 TRP A 36 17.360 9.321 -0.332 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.459 7.185 -0.999 1.00 0.00 N ATOM 540 CE2 TRP A 36 17.386 7.986 0.111 1.00 0.00 C ATOM 541 CE3 TRP A 36 17.286 10.345 0.617 1.00 0.00 C ATOM 542 CZ2 TRP A 36 17.342 7.648 1.462 1.00 0.00 C ATOM 543 CZ3 TRP A 36 17.242 10.008 1.957 1.00 0.00 C ATOM 544 CH2 TRP A 36 17.270 8.670 2.368 1.00 0.00 C ATOM 0 H TRP A 36 15.141 10.043 -1.749 1.00 0.00 H new ATOM 0 HA TRP A 36 16.112 11.579 -3.991 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.272 10.406 -3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.553 11.386 -2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.535 7.615 -3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.492 6.166 -0.994 1.00 0.00 H new ATOM 0 HE3 TRP A 36 17.264 11.380 0.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 17.364 6.617 1.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.185 10.790 2.699 1.00 0.00 H new ATOM 0 HH2 TRP A 36 17.234 8.440 3.423 1.00 0.00 H new ATOM 555 N CYS A 37 15.112 8.655 -4.554 1.00 0.00 N ATOM 556 CA CYS A 37 14.978 7.583 -5.537 1.00 0.00 C ATOM 557 C CYS A 37 15.121 8.115 -6.961 1.00 0.00 C ATOM 558 O CYS A 37 15.831 7.534 -7.782 1.00 0.00 O ATOM 559 CB CYS A 37 13.619 6.893 -5.375 1.00 0.00 C ATOM 560 SG CYS A 37 13.235 5.672 -6.676 1.00 0.00 S ATOM 0 H CYS A 37 14.379 8.669 -3.845 1.00 0.00 H new ATOM 0 HA CYS A 37 15.777 6.863 -5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.591 6.395 -4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.838 7.653 -5.365 1.00 0.00 H new ATOM 565 N GLY A 38 14.430 9.211 -7.250 1.00 0.00 N ATOM 566 CA GLY A 38 14.481 9.791 -8.579 1.00 0.00 C ATOM 567 C GLY A 38 13.309 9.342 -9.429 1.00 0.00 C ATOM 568 O GLY A 38 12.767 10.117 -10.216 1.00 0.00 O ATOM 0 H GLY A 38 13.835 9.709 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.480 10.878 -8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.414 9.506 -9.065 1.00 0.00 H new ATOM 572 N HIS A 39 12.915 8.085 -9.255 1.00 0.00 N ATOM 573 CA HIS A 39 11.793 7.517 -9.993 1.00 0.00 C ATOM 574 C HIS A 39 10.644 7.166 -9.048 1.00 0.00 C ATOM 575 O HIS A 39 9.584 6.718 -9.486 1.00 0.00 O ATOM 576 CB HIS A 39 12.238 6.269 -10.757 1.00 0.00 C ATOM 577 CG HIS A 39 13.392 6.511 -11.680 1.00 0.00 C ATOM 578 ND1 HIS A 39 13.307 7.315 -12.797 1.00 0.00 N ATOM 579 CD2 HIS A 39 14.666 6.051 -11.646 1.00 0.00 C ATOM 580 CE1 HIS A 39 14.477 7.338 -13.411 1.00 0.00 C ATOM 581 NE2 HIS A 39 15.318 6.580 -12.732 1.00 0.00 N ATOM 0 H HIS A 39 13.359 7.437 -8.605 1.00 0.00 H new ATOM 0 HA HIS A 39 11.441 8.264 -10.705 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.512 5.494 -10.042 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.396 5.887 -11.334 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.089 5.391 -10.903 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.706 7.884 -14.314 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.295 6.414 -12.975 1.00 0.00 H new ATOM 590 N CYS A 40 10.861 7.370 -7.749 1.00 0.00 N ATOM 591 CA CYS A 40 9.845 7.074 -6.746 1.00 0.00 C ATOM 592 C CYS A 40 9.203 8.355 -6.221 1.00 0.00 C ATOM 593 O CYS A 40 8.089 8.330 -5.698 1.00 0.00 O ATOM 594 CB CYS A 40 10.459 6.291 -5.584 1.00 0.00 C ATOM 595 SG CYS A 40 11.465 4.861 -6.095 1.00 0.00 S ATOM 0 H CYS A 40 11.733 7.739 -7.369 1.00 0.00 H new ATOM 0 HA CYS A 40 9.072 6.469 -7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.080 6.965 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.658 5.943 -4.932 1.00 0.00 H new ATOM 600 N LYS A 41 9.912 9.473 -6.359 1.00 0.00 N ATOM 601 CA LYS A 41 9.408 10.762 -5.895 1.00 0.00 C ATOM 602 C LYS A 41 7.986 11.007 -6.395 1.00 0.00 C ATOM 603 O LYS A 41 7.205 11.711 -5.755 1.00 0.00 O ATOM 604 CB LYS A 41 10.330 11.890 -6.362 1.00 0.00 C ATOM 605 CG LYS A 41 10.540 12.974 -5.317 1.00 0.00 C ATOM 606 CD LYS A 41 11.257 14.180 -5.902 1.00 0.00 C ATOM 607 CE LYS A 41 10.881 15.459 -5.173 1.00 0.00 C ATOM 608 NZ LYS A 41 11.010 16.656 -6.049 1.00 0.00 N ATOM 0 H LYS A 41 10.837 9.512 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 41 9.389 10.745 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.297 11.468 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.912 12.341 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.576 13.283 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.120 12.572 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.335 14.029 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.008 14.276 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.856 15.383 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.520 15.579 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.744 17.508 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.994 16.744 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.382 16.554 -6.871 1.00 0.00 H new ATOM 622 N ALA A 42 7.655 10.415 -7.539 1.00 0.00 N ATOM 623 CA ALA A 42 6.326 10.562 -8.119 1.00 0.00 C ATOM 624 C ALA A 42 5.332 9.623 -7.444 1.00 0.00 C ATOM 625 O ALA A 42 4.136 9.907 -7.383 1.00 0.00 O ATOM 626 CB ALA A 42 6.372 10.300 -9.617 1.00 0.00 C ATOM 0 H ALA A 42 8.290 9.829 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 42 5.992 11.586 -7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.373 10.413 -10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.047 11.013 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.729 9.286 -9.798 1.00 0.00 H new ATOM 632 N LEU A 43 5.837 8.503 -6.936 1.00 0.00 N ATOM 633 CA LEU A 43 4.998 7.520 -6.261 1.00 0.00 C ATOM 634 C LEU A 43 4.321 8.134 -5.039 1.00 0.00 C ATOM 635 O LEU A 43 3.209 7.752 -4.674 1.00 0.00 O ATOM 636 CB LEU A 43 5.837 6.308 -5.843 1.00 0.00 C ATOM 637 CG LEU A 43 5.269 4.950 -6.257 1.00 0.00 C ATOM 638 CD1 LEU A 43 3.869 4.763 -5.693 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.261 4.816 -7.772 1.00 0.00 C ATOM 0 H LEU A 43 6.825 8.254 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 43 4.224 7.195 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.835 6.412 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.951 6.321 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 43 5.909 4.168 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.481 3.791 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.905 4.814 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.216 5.550 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.854 3.844 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.644 5.604 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.279 4.904 -8.150 1.00 0.00 H new ATOM 651 N ALA A 44 5.002 9.087 -4.410 1.00 0.00 N ATOM 652 CA ALA A 44 4.471 9.755 -3.228 1.00 0.00 C ATOM 653 C ALA A 44 3.186 10.516 -3.551 1.00 0.00 C ATOM 654 O ALA A 44 2.123 10.206 -3.014 1.00 0.00 O ATOM 655 CB ALA A 44 5.514 10.694 -2.639 1.00 0.00 C ATOM 0 H ALA A 44 5.924 9.414 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 44 4.228 8.991 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.104 11.186 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.399 10.124 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.787 11.446 -3.380 1.00 0.00 H new ATOM 661 N PRO A 45 3.264 11.527 -4.436 1.00 0.00 N ATOM 662 CA PRO A 45 2.097 12.327 -4.821 1.00 0.00 C ATOM 663 C PRO A 45 1.001 11.479 -5.456 1.00 0.00 C ATOM 664 O PRO A 45 -0.187 11.724 -5.245 1.00 0.00 O ATOM 665 CB PRO A 45 2.657 13.332 -5.837 1.00 0.00 C ATOM 666 CG PRO A 45 3.950 12.748 -6.294 1.00 0.00 C ATOM 667 CD PRO A 45 4.486 11.969 -5.128 1.00 0.00 C ATOM 0 HA PRO A 45 1.630 12.800 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.971 13.471 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.806 14.311 -5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.802 12.103 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.647 13.530 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.094 11.125 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.114 12.586 -4.485 1.00 0.00 H new ATOM 675 N LYS A 46 1.405 10.479 -6.233 1.00 0.00 N ATOM 676 CA LYS A 46 0.453 9.595 -6.894 1.00 0.00 C ATOM 677 C LYS A 46 -0.344 8.795 -5.868 1.00 0.00 C ATOM 678 O LYS A 46 -1.493 8.425 -6.109 1.00 0.00 O ATOM 679 CB LYS A 46 1.183 8.646 -7.848 1.00 0.00 C ATOM 680 CG LYS A 46 1.023 9.015 -9.314 1.00 0.00 C ATOM 681 CD LYS A 46 1.463 10.446 -9.582 1.00 0.00 C ATOM 682 CE LYS A 46 0.270 11.373 -9.757 1.00 0.00 C ATOM 683 NZ LYS A 46 0.505 12.705 -9.135 1.00 0.00 N ATOM 0 H LYS A 46 2.384 10.261 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.241 10.209 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.244 8.638 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.811 7.633 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.610 8.332 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.019 8.893 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.081 10.798 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.082 10.475 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.062 11.500 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.613 10.915 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.303 13.329 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.611 12.594 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.371 13.124 -9.529 1.00 0.00 H new ATOM 697 N TYR A 47 0.274 8.535 -4.719 1.00 0.00 N ATOM 698 CA TYR A 47 -0.378 7.783 -3.655 1.00 0.00 C ATOM 699 C TYR A 47 -1.301 8.684 -2.839 1.00 0.00 C ATOM 700 O TYR A 47 -2.251 8.211 -2.215 1.00 0.00 O ATOM 701 CB TYR A 47 0.668 7.135 -2.743 1.00 0.00 C ATOM 702 CG TYR A 47 0.578 5.626 -2.698 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.028 4.852 -3.761 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.043 4.976 -1.594 1.00 0.00 C ATOM 705 CE1 TYR A 47 0.947 3.473 -3.723 1.00 0.00 C ATOM 706 CE2 TYR A 47 -0.041 3.597 -1.548 1.00 0.00 C ATOM 707 CZ TYR A 47 0.412 2.851 -2.615 1.00 0.00 C ATOM 708 OH TYR A 47 0.330 1.478 -2.574 1.00 0.00 O ATOM 0 H TYR A 47 1.225 8.834 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.981 6.999 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.663 7.422 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.551 7.528 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.448 5.336 -4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.314 5.558 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.301 2.885 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.459 3.107 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 47 0.932 1.094 -3.245 1.00 0.00 H new ATOM 718 N GLU A 48 -1.018 9.983 -2.849 1.00 0.00 N ATOM 719 CA GLU A 48 -1.828 10.946 -2.113 1.00 0.00 C ATOM 720 C GLU A 48 -3.176 11.149 -2.798 1.00 0.00 C ATOM 721 O GLU A 48 -4.191 11.378 -2.140 1.00 0.00 O ATOM 722 CB GLU A 48 -1.093 12.283 -1.999 1.00 0.00 C ATOM 723 CG GLU A 48 -0.290 12.428 -0.716 1.00 0.00 C ATOM 724 CD GLU A 48 -0.327 13.838 -0.161 1.00 0.00 C ATOM 725 OE1 GLU A 48 0.318 14.727 -0.756 1.00 0.00 O ATOM 726 OE2 GLU A 48 -1.001 14.054 0.868 1.00 0.00 O ATOM 0 H GLU A 48 -0.235 10.392 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.002 10.552 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.423 12.394 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.819 13.094 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.679 11.737 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.745 12.143 -0.905 1.00 0.00 H new ATOM 733 N GLU A 49 -3.177 11.059 -4.124 1.00 0.00 N ATOM 734 CA GLU A 49 -4.399 11.229 -4.901 1.00 0.00 C ATOM 735 C GLU A 49 -5.281 9.989 -4.800 1.00 0.00 C ATOM 736 O GLU A 49 -6.454 10.078 -4.438 1.00 0.00 O ATOM 737 CB GLU A 49 -4.062 11.512 -6.366 1.00 0.00 C ATOM 738 CG GLU A 49 -5.250 11.993 -7.182 1.00 0.00 C ATOM 739 CD GLU A 49 -5.213 13.486 -7.442 1.00 0.00 C ATOM 740 OE1 GLU A 49 -5.029 14.253 -6.473 1.00 0.00 O ATOM 741 OE2 GLU A 49 -5.366 13.889 -8.614 1.00 0.00 O ATOM 0 H GLU A 49 -2.345 10.869 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.946 12.078 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.274 12.263 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.663 10.605 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.271 11.463 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.172 11.742 -6.657 1.00 0.00 H new ATOM 748 N LEU A 50 -4.707 8.833 -5.120 1.00 0.00 N ATOM 749 CA LEU A 50 -5.442 7.575 -5.062 1.00 0.00 C ATOM 750 C LEU A 50 -5.933 7.301 -3.643 1.00 0.00 C ATOM 751 O LEU A 50 -6.980 6.686 -3.445 1.00 0.00 O ATOM 752 CB LEU A 50 -4.558 6.421 -5.550 1.00 0.00 C ATOM 753 CG LEU A 50 -5.085 5.016 -5.242 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.366 4.747 -6.015 1.00 0.00 C ATOM 755 CD2 LEU A 50 -4.030 3.967 -5.567 1.00 0.00 C ATOM 0 H LEU A 50 -3.737 8.742 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.310 7.654 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.430 6.515 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.570 6.527 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.309 4.957 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.726 3.745 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.122 5.479 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.169 4.825 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.422 2.975 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.774 4.024 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.138 4.150 -4.967 1.00 0.00 H new ATOM 767 N GLY A 51 -5.167 7.761 -2.659 1.00 0.00 N ATOM 768 CA GLY A 51 -5.540 7.557 -1.272 1.00 0.00 C ATOM 769 C GLY A 51 -6.771 8.348 -0.879 1.00 0.00 C ATOM 770 O GLY A 51 -7.650 7.836 -0.186 1.00 0.00 O ATOM 0 H GLY A 51 -4.295 8.271 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.724 6.496 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.708 7.844 -0.629 1.00 0.00 H new ATOM 774 N ALA A 52 -6.836 9.598 -1.324 1.00 0.00 N ATOM 775 CA ALA A 52 -7.970 10.461 -1.014 1.00 0.00 C ATOM 776 C ALA A 52 -9.214 10.032 -1.785 1.00 0.00 C ATOM 777 O ALA A 52 -10.339 10.225 -1.325 1.00 0.00 O ATOM 778 CB ALA A 52 -7.629 11.911 -1.323 1.00 0.00 C ATOM 0 H ALA A 52 -6.117 10.036 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.185 10.368 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.484 12.544 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.773 12.219 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.385 12.010 -2.381 1.00 0.00 H new ATOM 784 N LEU A 53 -9.004 9.449 -2.962 1.00 0.00 N ATOM 785 CA LEU A 53 -10.110 8.994 -3.797 1.00 0.00 C ATOM 786 C LEU A 53 -10.673 7.672 -3.283 1.00 0.00 C ATOM 787 O LEU A 53 -11.851 7.579 -2.940 1.00 0.00 O ATOM 788 CB LEU A 53 -9.648 8.838 -5.249 1.00 0.00 C ATOM 789 CG LEU A 53 -10.098 9.954 -6.193 1.00 0.00 C ATOM 790 CD1 LEU A 53 -9.071 11.075 -6.220 1.00 0.00 C ATOM 791 CD2 LEU A 53 -10.330 9.406 -7.593 1.00 0.00 C ATOM 0 H LEU A 53 -8.079 9.281 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.900 9.744 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.559 8.786 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.018 7.887 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.039 10.360 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.407 11.860 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.954 11.486 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.114 10.684 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.650 10.214 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.404 8.973 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.103 8.638 -7.560 1.00 0.00 H new ATOM 803 N TYR A 54 -9.822 6.651 -3.234 1.00 0.00 N ATOM 804 CA TYR A 54 -10.235 5.334 -2.764 1.00 0.00 C ATOM 805 C TYR A 54 -10.788 5.407 -1.343 1.00 0.00 C ATOM 806 O TYR A 54 -11.768 4.740 -1.013 1.00 0.00 O ATOM 807 CB TYR A 54 -9.056 4.358 -2.820 1.00 0.00 C ATOM 808 CG TYR A 54 -9.365 3.078 -3.562 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.924 3.107 -4.833 1.00 0.00 C ATOM 810 CD2 TYR A 54 -9.097 1.840 -2.991 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.207 1.939 -5.515 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.377 0.667 -3.667 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.932 0.723 -4.928 1.00 0.00 C ATOM 814 OH TYR A 54 -10.212 -0.442 -5.605 1.00 0.00 O ATOM 0 H TYR A 54 -8.843 6.711 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.027 4.974 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.210 4.851 -3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.749 4.114 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.141 4.058 -5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.663 1.793 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.641 1.979 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.162 -0.288 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.957 -1.211 -5.053 1.00 0.00 H new ATOM 824 N ALA A 55 -10.153 6.223 -0.508 1.00 0.00 N ATOM 825 CA ALA A 55 -10.583 6.384 0.876 1.00 0.00 C ATOM 826 C ALA A 55 -12.021 6.884 0.950 1.00 0.00 C ATOM 827 O ALA A 55 -12.743 6.590 1.903 1.00 0.00 O ATOM 828 CB ALA A 55 -9.652 7.338 1.610 1.00 0.00 C ATOM 0 H ALA A 55 -9.340 6.782 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.541 5.408 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.985 7.449 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.638 6.939 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.666 8.310 1.118 1.00 0.00 H new ATOM 834 N LYS A 56 -12.432 7.642 -0.062 1.00 0.00 N ATOM 835 CA LYS A 56 -13.786 8.182 -0.113 1.00 0.00 C ATOM 836 C LYS A 56 -14.689 7.305 -0.975 1.00 0.00 C ATOM 837 O LYS A 56 -15.562 7.805 -1.685 1.00 0.00 O ATOM 838 CB LYS A 56 -13.767 9.610 -0.660 1.00 0.00 C ATOM 839 CG LYS A 56 -14.761 10.537 0.020 1.00 0.00 C ATOM 840 CD LYS A 56 -14.526 11.987 -0.367 1.00 0.00 C ATOM 841 CE LYS A 56 -15.835 12.752 -0.484 1.00 0.00 C ATOM 842 NZ LYS A 56 -16.108 13.573 0.728 1.00 0.00 N ATOM 0 H LYS A 56 -11.847 7.896 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.185 8.195 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.764 10.020 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.980 9.583 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.776 10.247 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.678 10.430 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.890 12.465 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.993 12.029 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.800 13.399 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.654 12.049 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.009 14.079 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.166 12.953 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.340 14.261 0.862 1.00 0.00 H new ATOM 856 N SER A 57 -14.472 5.995 -0.908 1.00 0.00 N ATOM 857 CA SER A 57 -15.265 5.047 -1.682 1.00 0.00 C ATOM 858 C SER A 57 -16.121 4.180 -0.766 1.00 0.00 C ATOM 859 O SER A 57 -16.173 4.401 0.444 1.00 0.00 O ATOM 860 CB SER A 57 -14.352 4.164 -2.534 1.00 0.00 C ATOM 861 OG SER A 57 -15.107 3.262 -3.325 1.00 0.00 O ATOM 0 H SER A 57 -13.753 5.566 -0.325 1.00 0.00 H new ATOM 0 HA SER A 57 -15.926 5.613 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.735 4.789 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.674 3.606 -1.888 1.00 0.00 H new ATOM 0 HG SER A 57 -14.500 2.710 -3.861 1.00 0.00 H new ATOM 867 N GLU A 58 -16.792 3.193 -1.351 1.00 0.00 N ATOM 868 CA GLU A 58 -17.647 2.291 -0.587 1.00 0.00 C ATOM 869 C GLU A 58 -16.820 1.262 0.182 1.00 0.00 C ATOM 870 O GLU A 58 -17.310 0.639 1.124 1.00 0.00 O ATOM 871 CB GLU A 58 -18.631 1.579 -1.518 1.00 0.00 C ATOM 872 CG GLU A 58 -17.959 0.661 -2.526 1.00 0.00 C ATOM 873 CD GLU A 58 -18.934 -0.300 -3.179 1.00 0.00 C ATOM 874 OE1 GLU A 58 -19.657 0.125 -4.104 1.00 0.00 O ATOM 875 OE2 GLU A 58 -18.974 -1.478 -2.764 1.00 0.00 O ATOM 0 H GLU A 58 -16.760 2.997 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.203 2.889 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.330 0.996 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.217 2.326 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -17.477 1.263 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -17.173 0.093 -2.028 1.00 0.00 H new ATOM 882 N PHE A 59 -15.565 1.085 -0.225 1.00 0.00 N ATOM 883 CA PHE A 59 -14.678 0.128 0.429 1.00 0.00 C ATOM 884 C PHE A 59 -13.785 0.822 1.453 1.00 0.00 C ATOM 885 O PHE A 59 -12.623 0.455 1.627 1.00 0.00 O ATOM 886 CB PHE A 59 -13.817 -0.591 -0.611 1.00 0.00 C ATOM 887 CG PHE A 59 -14.585 -1.038 -1.822 1.00 0.00 C ATOM 888 CD1 PHE A 59 -15.648 -1.918 -1.699 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.243 -0.578 -3.084 1.00 0.00 C ATOM 890 CE1 PHE A 59 -16.357 -2.331 -2.811 1.00 0.00 C ATOM 891 CE2 PHE A 59 -14.948 -0.987 -4.200 1.00 0.00 C ATOM 892 CZ PHE A 59 -16.006 -1.865 -4.063 1.00 0.00 C ATOM 0 H PHE A 59 -15.141 1.591 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.295 -0.603 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.012 0.073 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.350 -1.459 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -15.926 -2.286 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.416 0.108 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -17.184 -3.017 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.672 -0.621 -5.178 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.558 -2.187 -4.934 1.00 0.00 H new ATOM 902 N LYS A 60 -14.332 1.829 2.127 1.00 0.00 N ATOM 903 CA LYS A 60 -13.580 2.575 3.130 1.00 0.00 C ATOM 904 C LYS A 60 -13.176 1.676 4.298 1.00 0.00 C ATOM 905 O LYS A 60 -12.155 1.906 4.945 1.00 0.00 O ATOM 906 CB LYS A 60 -14.401 3.770 3.634 1.00 0.00 C ATOM 907 CG LYS A 60 -15.488 3.407 4.639 1.00 0.00 C ATOM 908 CD LYS A 60 -16.645 2.672 3.979 1.00 0.00 C ATOM 909 CE LYS A 60 -17.280 3.500 2.873 1.00 0.00 C ATOM 910 NZ LYS A 60 -18.750 3.642 3.059 1.00 0.00 N ATOM 0 H LYS A 60 -15.292 2.147 1.997 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.669 2.947 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.725 4.492 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.863 4.264 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.062 2.783 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.859 4.314 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.289 1.728 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.397 2.429 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.820 4.488 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.080 3.032 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.144 4.213 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.193 2.701 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.941 4.111 3.967 1.00 0.00 H new ATOM 924 N ASP A 61 -13.985 0.655 4.563 1.00 0.00 N ATOM 925 CA ASP A 61 -13.710 -0.274 5.655 1.00 0.00 C ATOM 926 C ASP A 61 -13.146 -1.594 5.134 1.00 0.00 C ATOM 927 O ASP A 61 -13.131 -2.596 5.849 1.00 0.00 O ATOM 928 CB ASP A 61 -14.984 -0.534 6.460 1.00 0.00 C ATOM 929 CG ASP A 61 -14.712 -0.660 7.947 1.00 0.00 C ATOM 930 OD1 ASP A 61 -13.834 0.069 8.453 1.00 0.00 O ATOM 931 OD2 ASP A 61 -15.379 -1.486 8.605 1.00 0.00 O ATOM 0 H ASP A 61 -14.835 0.450 4.038 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.961 0.183 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.690 0.279 6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.457 -1.448 6.101 1.00 0.00 H new ATOM 936 N ARG A 62 -12.683 -1.593 3.886 1.00 0.00 N ATOM 937 CA ARG A 62 -12.121 -2.796 3.281 1.00 0.00 C ATOM 938 C ARG A 62 -10.648 -2.595 2.938 1.00 0.00 C ATOM 939 O ARG A 62 -9.765 -3.117 3.619 1.00 0.00 O ATOM 940 CB ARG A 62 -12.906 -3.170 2.022 1.00 0.00 C ATOM 941 CG ARG A 62 -13.966 -4.234 2.260 1.00 0.00 C ATOM 942 CD ARG A 62 -14.838 -4.434 1.031 1.00 0.00 C ATOM 943 NE ARG A 62 -16.205 -4.810 1.385 1.00 0.00 N ATOM 944 CZ ARG A 62 -17.063 -5.372 0.537 1.00 0.00 C ATOM 945 NH1 ARG A 62 -16.699 -5.625 -0.715 1.00 0.00 N ATOM 946 NH2 ARG A 62 -18.287 -5.681 0.940 1.00 0.00 N ATOM 0 H ARG A 62 -12.686 -0.775 3.277 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.198 -3.608 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.384 -2.275 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.210 -3.526 1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.485 -5.176 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.589 -3.946 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.855 -3.515 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.402 -5.207 0.399 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.520 -4.631 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.758 -5.388 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.360 -6.056 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.572 -5.488 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.944 -6.112 0.290 1.00 0.00 H new ATOM 960 N VAL A 63 -10.390 -1.837 1.877 1.00 0.00 N ATOM 961 CA VAL A 63 -9.024 -1.569 1.445 1.00 0.00 C ATOM 962 C VAL A 63 -8.535 -0.224 1.971 1.00 0.00 C ATOM 963 O VAL A 63 -9.291 0.745 2.025 1.00 0.00 O ATOM 964 CB VAL A 63 -8.908 -1.579 -0.091 1.00 0.00 C ATOM 965 CG1 VAL A 63 -7.450 -1.500 -0.518 1.00 0.00 C ATOM 966 CG2 VAL A 63 -9.575 -2.818 -0.669 1.00 0.00 C ATOM 0 H VAL A 63 -11.109 -1.398 1.301 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.402 -2.365 1.854 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.424 -0.702 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.389 -1.508 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.009 -0.579 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.907 -2.356 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.483 -2.808 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.091 -3.710 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.630 -2.825 -0.394 1.00 0.00 H new ATOM 976 N VAL A 64 -7.265 -0.173 2.360 1.00 0.00 N ATOM 977 CA VAL A 64 -6.675 1.053 2.883 1.00 0.00 C ATOM 978 C VAL A 64 -5.317 1.326 2.244 1.00 0.00 C ATOM 979 O VAL A 64 -4.443 0.459 2.225 1.00 0.00 O ATOM 980 CB VAL A 64 -6.510 0.987 4.415 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.573 -0.146 4.807 1.00 0.00 C ATOM 982 CG2 VAL A 64 -6.008 2.317 4.958 1.00 0.00 C ATOM 0 H VAL A 64 -6.625 -0.967 2.323 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.358 1.865 2.634 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.486 0.787 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.471 -0.175 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.981 -1.094 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.595 0.018 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.898 2.250 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.043 2.552 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.723 3.103 4.714 1.00 0.00 H new ATOM 992 N ILE A 65 -5.147 2.537 1.723 1.00 0.00 N ATOM 993 CA ILE A 65 -3.896 2.925 1.084 1.00 0.00 C ATOM 994 C ILE A 65 -2.874 3.390 2.116 1.00 0.00 C ATOM 995 O ILE A 65 -3.036 4.442 2.734 1.00 0.00 O ATOM 996 CB ILE A 65 -4.116 4.049 0.053 1.00 0.00 C ATOM 997 CG1 ILE A 65 -5.283 3.702 -0.873 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.847 4.288 -0.750 1.00 0.00 C ATOM 999 CD1 ILE A 65 -5.028 2.487 -1.738 1.00 0.00 C ATOM 0 H ILE A 65 -5.860 3.266 1.731 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.515 2.042 0.571 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.362 4.967 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.175 3.528 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.493 4.557 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.019 5.085 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.040 4.577 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.571 3.374 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.897 2.300 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.155 2.665 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.847 1.620 -1.103 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.824 2.597 2.300 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.776 2.926 3.260 1.00 0.00 C ATOM 1013 C ALA A 66 0.545 3.218 2.555 1.00 0.00 C ATOM 1014 O ALA A 66 1.006 2.432 1.726 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.604 1.793 4.260 1.00 0.00 C ATOM 0 H ALA A 66 -1.676 1.722 1.797 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.077 3.827 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.181 2.051 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.540 1.635 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.329 0.880 3.732 1.00 0.00 H new ATOM 1021 N LYS A 67 1.151 4.351 2.893 1.00 0.00 N ATOM 1022 CA LYS A 67 2.421 4.747 2.295 1.00 0.00 C ATOM 1023 C LYS A 67 3.563 4.583 3.292 1.00 0.00 C ATOM 1024 O LYS A 67 3.361 4.672 4.503 1.00 0.00 O ATOM 1025 CB LYS A 67 2.351 6.198 1.810 1.00 0.00 C ATOM 1026 CG LYS A 67 2.329 6.332 0.296 1.00 0.00 C ATOM 1027 CD LYS A 67 3.140 7.531 -0.169 1.00 0.00 C ATOM 1028 CE LYS A 67 2.318 8.809 -0.129 1.00 0.00 C ATOM 1029 NZ LYS A 67 2.537 9.573 1.130 1.00 0.00 N ATOM 0 H LYS A 67 0.783 5.011 3.578 1.00 0.00 H new ATOM 0 HA LYS A 67 2.612 4.097 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.457 6.667 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.208 6.746 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.728 5.424 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.299 6.433 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.020 7.644 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.497 7.358 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.578 9.435 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.260 8.563 -0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.958 10.437 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.265 8.986 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.541 9.830 1.210 1.00 0.00 H new ATOM 1043 N VAL A 68 4.763 4.343 2.775 1.00 0.00 N ATOM 1044 CA VAL A 68 5.935 4.166 3.622 1.00 0.00 C ATOM 1045 C VAL A 68 7.220 4.195 2.800 1.00 0.00 C ATOM 1046 O VAL A 68 7.212 3.909 1.603 1.00 0.00 O ATOM 1047 CB VAL A 68 5.866 2.837 4.400 1.00 0.00 C ATOM 1048 CG1 VAL A 68 5.838 1.656 3.443 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.034 2.721 5.369 1.00 0.00 C ATOM 0 H VAL A 68 4.949 4.267 1.775 1.00 0.00 H new ATOM 0 HA VAL A 68 5.943 4.995 4.329 1.00 0.00 H new ATOM 0 HB VAL A 68 4.942 2.826 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.789 0.728 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.963 1.732 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.741 1.661 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.967 1.776 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.972 2.756 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.001 3.547 6.079 1.00 0.00 H new ATOM 1059 N ASP A 69 8.324 4.536 3.455 1.00 0.00 N ATOM 1060 CA ASP A 69 9.620 4.594 2.792 1.00 0.00 C ATOM 1061 C ASP A 69 10.461 3.376 3.157 1.00 0.00 C ATOM 1062 O ASP A 69 10.375 2.864 4.273 1.00 0.00 O ATOM 1063 CB ASP A 69 10.361 5.876 3.181 1.00 0.00 C ATOM 1064 CG ASP A 69 9.870 7.084 2.408 1.00 0.00 C ATOM 1065 OD1 ASP A 69 8.717 7.507 2.637 1.00 0.00 O ATOM 1066 OD2 ASP A 69 10.638 7.609 1.575 1.00 0.00 O ATOM 0 H ASP A 69 8.347 4.777 4.446 1.00 0.00 H new ATOM 0 HA ASP A 69 9.454 4.596 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.235 6.055 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.428 5.744 3.004 1.00 0.00 H new ATOM 1071 N ALA A 70 11.271 2.912 2.212 1.00 0.00 N ATOM 1072 CA ALA A 70 12.123 1.750 2.441 1.00 0.00 C ATOM 1073 C ALA A 70 13.427 2.148 3.129 1.00 0.00 C ATOM 1074 O ALA A 70 14.515 1.800 2.670 1.00 0.00 O ATOM 1075 CB ALA A 70 12.410 1.040 1.127 1.00 0.00 C ATOM 0 H ALA A 70 11.356 3.321 1.282 1.00 0.00 H new ATOM 0 HA ALA A 70 11.591 1.066 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.047 0.175 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.472 0.711 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.917 1.724 0.447 1.00 0.00 H new ATOM 1081 N THR A 71 13.309 2.878 4.234 1.00 0.00 N ATOM 1082 CA THR A 71 14.477 3.323 4.986 1.00 0.00 C ATOM 1083 C THR A 71 14.251 3.168 6.489 1.00 0.00 C ATOM 1084 O THR A 71 14.921 3.814 7.295 1.00 0.00 O ATOM 1085 CB THR A 71 14.798 4.782 4.654 1.00 0.00 C ATOM 1086 OG1 THR A 71 13.953 5.658 5.379 1.00 0.00 O ATOM 1087 CG2 THR A 71 14.646 5.110 3.183 1.00 0.00 C ATOM 0 H THR A 71 12.416 3.174 4.628 1.00 0.00 H new ATOM 0 HA THR A 71 15.322 2.698 4.699 1.00 0.00 H new ATOM 0 HB THR A 71 15.843 4.919 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.174 6.586 5.155 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.889 6.160 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.322 4.485 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.618 4.922 2.873 1.00 0.00 H new ATOM 1095 N ALA A 72 13.302 2.312 6.860 1.00 0.00 N ATOM 1096 CA ALA A 72 12.990 2.081 8.266 1.00 0.00 C ATOM 1097 C ALA A 72 13.790 0.908 8.823 1.00 0.00 C ATOM 1098 O ALA A 72 14.609 0.313 8.123 1.00 0.00 O ATOM 1099 CB ALA A 72 11.499 1.835 8.440 1.00 0.00 C ATOM 0 H ALA A 72 12.737 1.768 6.207 1.00 0.00 H new ATOM 0 HA ALA A 72 13.269 2.974 8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.279 1.664 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.943 2.705 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.205 0.960 7.861 1.00 0.00 H new ATOM 1105 N ASN A 73 13.545 0.583 10.088 1.00 0.00 N ATOM 1106 CA ASN A 73 14.242 -0.519 10.745 1.00 0.00 C ATOM 1107 C ASN A 73 13.307 -1.707 10.942 1.00 0.00 C ATOM 1108 O ASN A 73 12.088 -1.572 10.845 1.00 0.00 O ATOM 1109 CB ASN A 73 14.804 -0.072 12.099 1.00 0.00 C ATOM 1110 CG ASN A 73 15.161 1.403 12.131 1.00 0.00 C ATOM 1111 OD1 ASN A 73 16.328 1.775 12.007 1.00 0.00 O ATOM 1112 ND2 ASN A 73 14.152 2.251 12.299 1.00 0.00 N ATOM 0 H ASN A 73 12.869 1.066 10.680 1.00 0.00 H new ATOM 0 HA ASN A 73 15.068 -0.824 10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.071 -0.280 12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.691 -0.661 12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.329 3.255 12.329 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.200 1.898 12.398 1.00 0.00 H new ATOM 1119 N ASP A 74 13.886 -2.871 11.221 1.00 0.00 N ATOM 1120 CA ASP A 74 13.104 -4.085 11.435 1.00 0.00 C ATOM 1121 C ASP A 74 12.198 -4.369 10.241 1.00 0.00 C ATOM 1122 O ASP A 74 11.110 -4.926 10.393 1.00 0.00 O ATOM 1123 CB ASP A 74 12.264 -3.957 12.707 1.00 0.00 C ATOM 1124 CG ASP A 74 13.033 -4.361 13.950 1.00 0.00 C ATOM 1125 OD1 ASP A 74 14.265 -4.159 13.978 1.00 0.00 O ATOM 1126 OD2 ASP A 74 12.402 -4.880 14.895 1.00 0.00 O ATOM 0 H ASP A 74 14.894 -3.000 11.304 1.00 0.00 H new ATOM 0 HA ASP A 74 13.798 -4.918 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.924 -2.927 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.374 -4.579 12.615 1.00 0.00 H new ATOM 1131 N VAL A 75 12.654 -3.985 9.054 1.00 0.00 N ATOM 1132 CA VAL A 75 11.887 -4.199 7.833 1.00 0.00 C ATOM 1133 C VAL A 75 12.763 -4.810 6.739 1.00 0.00 C ATOM 1134 O VAL A 75 13.553 -4.111 6.104 1.00 0.00 O ATOM 1135 CB VAL A 75 11.273 -2.880 7.319 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.362 -1.860 7.021 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.410 -3.129 6.089 1.00 0.00 C ATOM 0 H VAL A 75 13.552 -3.523 8.912 1.00 0.00 H new ATOM 0 HA VAL A 75 11.081 -4.891 8.076 1.00 0.00 H new ATOM 0 HB VAL A 75 10.634 -2.473 8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.907 -0.937 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.927 -1.655 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.033 -2.256 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.987 -2.185 5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.021 -3.564 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.603 -3.816 6.344 1.00 0.00 H new ATOM 1147 N PRO A 76 12.641 -6.129 6.506 1.00 0.00 N ATOM 1148 CA PRO A 76 13.433 -6.825 5.486 1.00 0.00 C ATOM 1149 C PRO A 76 13.142 -6.310 4.079 1.00 0.00 C ATOM 1150 O PRO A 76 13.993 -5.678 3.452 1.00 0.00 O ATOM 1151 CB PRO A 76 13.004 -8.294 5.621 1.00 0.00 C ATOM 1152 CG PRO A 76 12.341 -8.391 6.953 1.00 0.00 C ATOM 1153 CD PRO A 76 11.734 -7.044 7.215 1.00 0.00 C ATOM 0 HA PRO A 76 14.502 -6.672 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.321 -8.579 4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.863 -8.962 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.578 -9.169 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.061 -8.651 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.715 -6.979 6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.689 -6.822 8.281 1.00 0.00 H new ATOM 1161 N ASP A 77 11.932 -6.583 3.591 1.00 0.00 N ATOM 1162 CA ASP A 77 11.514 -6.149 2.257 1.00 0.00 C ATOM 1163 C ASP A 77 12.624 -6.343 1.226 1.00 0.00 C ATOM 1164 O ASP A 77 13.364 -5.410 0.913 1.00 0.00 O ATOM 1165 CB ASP A 77 11.081 -4.682 2.287 1.00 0.00 C ATOM 1166 CG ASP A 77 12.188 -3.758 2.755 1.00 0.00 C ATOM 1167 OD1 ASP A 77 12.361 -3.615 3.984 1.00 0.00 O ATOM 1168 OD2 ASP A 77 12.881 -3.177 1.894 1.00 0.00 O ATOM 0 H ASP A 77 11.220 -7.105 4.102 1.00 0.00 H new ATOM 0 HA ASP A 77 10.669 -6.770 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.759 -4.381 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.220 -4.574 2.946 1.00 0.00 H new ATOM 1173 N GLU A 78 12.731 -7.558 0.697 1.00 0.00 N ATOM 1174 CA GLU A 78 13.746 -7.869 -0.304 1.00 0.00 C ATOM 1175 C GLU A 78 13.217 -7.591 -1.707 1.00 0.00 C ATOM 1176 O GLU A 78 12.433 -8.370 -2.250 1.00 0.00 O ATOM 1177 CB GLU A 78 14.179 -9.332 -0.188 1.00 0.00 C ATOM 1178 CG GLU A 78 15.188 -9.582 0.921 1.00 0.00 C ATOM 1179 CD GLU A 78 14.919 -10.869 1.676 1.00 0.00 C ATOM 1180 OE1 GLU A 78 13.820 -10.998 2.256 1.00 0.00 O ATOM 1181 OE2 GLU A 78 15.806 -11.748 1.687 1.00 0.00 O ATOM 0 H GLU A 78 12.128 -8.343 0.944 1.00 0.00 H new ATOM 0 HA GLU A 78 14.611 -7.231 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.298 -9.950 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.609 -9.651 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.190 -9.619 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.170 -8.745 1.619 1.00 0.00 H new ATOM 1188 N ILE A 79 13.642 -6.473 -2.286 1.00 0.00 N ATOM 1189 CA ILE A 79 13.200 -6.092 -3.622 1.00 0.00 C ATOM 1190 C ILE A 79 14.358 -5.575 -4.470 1.00 0.00 C ATOM 1191 O ILE A 79 15.399 -5.180 -3.945 1.00 0.00 O ATOM 1192 CB ILE A 79 12.100 -5.017 -3.563 1.00 0.00 C ATOM 1193 CG1 ILE A 79 12.612 -3.763 -2.846 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.858 -5.570 -2.875 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.790 -3.940 -1.352 1.00 0.00 C ATOM 0 H ILE A 79 14.291 -5.816 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 79 12.797 -6.993 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 79 11.830 -4.736 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.566 -3.470 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.915 -2.944 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.088 -4.799 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.486 -6.430 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.111 -5.877 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.155 -3.010 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.833 -4.202 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.510 -4.736 -1.163 1.00 0.00 H new ATOM 1207 N GLN A 80 14.168 -5.588 -5.786 1.00 0.00 N ATOM 1208 CA GLN A 80 15.194 -5.129 -6.715 1.00 0.00 C ATOM 1209 C GLN A 80 15.142 -3.614 -6.902 1.00 0.00 C ATOM 1210 O GLN A 80 16.175 -2.944 -6.872 1.00 0.00 O ATOM 1211 CB GLN A 80 15.032 -5.824 -8.068 1.00 0.00 C ATOM 1212 CG GLN A 80 13.733 -5.480 -8.778 1.00 0.00 C ATOM 1213 CD GLN A 80 13.374 -6.484 -9.855 1.00 0.00 C ATOM 1214 OE1 GLN A 80 13.996 -6.523 -10.917 1.00 0.00 O ATOM 1215 NE2 GLN A 80 12.365 -7.304 -9.586 1.00 0.00 N ATOM 0 H GLN A 80 13.311 -5.912 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 80 16.164 -5.385 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.870 -5.551 -8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 80 15.081 -6.903 -7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.926 -5.432 -8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.818 -4.489 -9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.877 -7.237 -8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.078 -8.001 -10.273 1.00 0.00 H new ATOM 1224 N GLY A 81 13.941 -3.076 -7.102 1.00 0.00 N ATOM 1225 CA GLY A 81 13.800 -1.643 -7.297 1.00 0.00 C ATOM 1226 C GLY A 81 13.013 -0.970 -6.189 1.00 0.00 C ATOM 1227 O GLY A 81 12.041 -1.527 -5.679 1.00 0.00 O ATOM 0 H GLY A 81 13.068 -3.603 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.790 -1.191 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.305 -1.458 -8.251 1.00 0.00 H new ATOM 1231 N PHE A 82 13.450 0.227 -5.805 1.00 0.00 N ATOM 1232 CA PHE A 82 12.813 0.983 -4.742 1.00 0.00 C ATOM 1233 C PHE A 82 11.333 1.075 -4.830 1.00 0.00 C ATOM 1234 O PHE A 82 10.656 0.902 -3.815 1.00 0.00 O ATOM 1235 CB PHE A 82 13.413 2.367 -4.652 1.00 0.00 C ATOM 1236 CG PHE A 82 14.322 2.458 -3.495 1.00 0.00 C ATOM 1237 CD1 PHE A 82 13.844 2.177 -2.233 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.646 2.779 -3.667 1.00 0.00 C ATOM 1239 CE1 PHE A 82 14.689 2.221 -1.144 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.496 2.829 -2.593 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.022 2.548 -1.323 1.00 0.00 C ATOM 0 H PHE A 82 14.254 0.695 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 82 13.012 0.415 -3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.957 2.595 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.620 3.109 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.804 1.921 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.021 2.994 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.312 2.001 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.535 3.087 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 82 16.690 2.584 -0.475 1.00 0.00 H new ATOM 1251 N PRO A 83 10.772 1.372 -5.978 1.00 0.00 N ATOM 1252 CA PRO A 83 9.355 1.487 -6.029 1.00 0.00 C ATOM 1253 C PRO A 83 8.696 0.123 -5.943 1.00 0.00 C ATOM 1254 O PRO A 83 8.169 -0.406 -6.921 1.00 0.00 O ATOM 1255 CB PRO A 83 9.095 2.196 -7.348 1.00 0.00 C ATOM 1256 CG PRO A 83 10.266 1.848 -8.205 1.00 0.00 C ATOM 1257 CD PRO A 83 11.429 1.642 -7.268 1.00 0.00 C ATOM 0 HA PRO A 83 8.933 2.042 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.161 1.861 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.013 3.274 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.069 0.946 -8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.477 2.645 -8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.058 0.809 -7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.068 2.523 -7.219 1.00 0.00 H new ATOM 1265 N THR A 84 8.770 -0.442 -4.745 1.00 0.00 N ATOM 1266 CA THR A 84 8.230 -1.757 -4.461 1.00 0.00 C ATOM 1267 C THR A 84 6.794 -1.665 -3.948 1.00 0.00 C ATOM 1268 O THR A 84 6.446 -0.748 -3.205 1.00 0.00 O ATOM 1269 CB THR A 84 9.145 -2.451 -3.442 1.00 0.00 C ATOM 1270 OG1 THR A 84 10.012 -3.354 -4.100 1.00 0.00 O ATOM 1271 CG2 THR A 84 8.411 -3.227 -2.365 1.00 0.00 C ATOM 0 H THR A 84 9.210 0.005 -3.941 1.00 0.00 H new ATOM 0 HA THR A 84 8.198 -2.345 -5.378 1.00 0.00 H new ATOM 0 HB THR A 84 9.687 -1.640 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.614 -2.857 -4.692 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.134 -3.684 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.767 -2.550 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.804 -4.005 -2.827 1.00 0.00 H new ATOM 1279 N ILE A 85 5.969 -2.624 -4.353 1.00 0.00 N ATOM 1280 CA ILE A 85 4.573 -2.657 -3.938 1.00 0.00 C ATOM 1281 C ILE A 85 4.239 -3.977 -3.250 1.00 0.00 C ATOM 1282 O ILE A 85 4.305 -5.043 -3.863 1.00 0.00 O ATOM 1283 CB ILE A 85 3.621 -2.461 -5.134 1.00 0.00 C ATOM 1284 CG1 ILE A 85 4.154 -1.375 -6.072 1.00 0.00 C ATOM 1285 CG2 ILE A 85 2.224 -2.108 -4.646 1.00 0.00 C ATOM 1286 CD1 ILE A 85 3.273 -1.130 -7.277 1.00 0.00 C ATOM 0 H ILE A 85 6.244 -3.389 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 85 4.433 -1.834 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 85 3.566 -3.397 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.259 -0.444 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.150 -1.657 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.563 -1.973 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.844 -2.913 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.263 -1.185 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.713 -0.348 -7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.188 -2.048 -7.858 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.283 -0.817 -6.946 1.00 0.00 H new ATOM 1298 N LYS A 86 3.879 -3.896 -1.974 1.00 0.00 N ATOM 1299 CA LYS A 86 3.532 -5.080 -1.198 1.00 0.00 C ATOM 1300 C LYS A 86 2.020 -5.189 -1.026 1.00 0.00 C ATOM 1301 O LYS A 86 1.390 -4.324 -0.415 1.00 0.00 O ATOM 1302 CB LYS A 86 4.217 -5.039 0.171 1.00 0.00 C ATOM 1303 CG LYS A 86 5.214 -6.166 0.386 1.00 0.00 C ATOM 1304 CD LYS A 86 6.582 -5.813 -0.172 1.00 0.00 C ATOM 1305 CE LYS A 86 7.693 -6.528 0.580 1.00 0.00 C ATOM 1306 NZ LYS A 86 7.825 -7.950 0.156 1.00 0.00 N ATOM 0 H LYS A 86 3.820 -3.020 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 86 3.882 -5.958 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.731 -4.084 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.456 -5.084 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.299 -6.380 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.848 -7.074 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.625 -6.081 -1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.734 -4.735 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.637 -6.010 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.492 -6.485 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.975 -8.549 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.957 -8.249 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.635 -8.046 -0.489 1.00 0.00 H new ATOM 1320 N LEU A 87 1.444 -6.254 -1.573 1.00 0.00 N ATOM 1321 CA LEU A 87 0.005 -6.475 -1.486 1.00 0.00 C ATOM 1322 C LEU A 87 -0.331 -7.499 -0.406 1.00 0.00 C ATOM 1323 O LEU A 87 0.258 -8.580 -0.356 1.00 0.00 O ATOM 1324 CB LEU A 87 -0.539 -6.946 -2.837 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.808 -6.235 -3.308 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -2.895 -6.324 -2.249 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.509 -4.782 -3.647 1.00 0.00 C ATOM 0 H LEU A 87 1.952 -6.978 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.465 -5.529 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.236 -6.810 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.741 -8.015 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.167 -6.732 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.790 -5.812 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.128 -7.371 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.547 -5.853 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.423 -4.291 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.126 -4.273 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.764 -4.740 -4.441 1.00 0.00 H new ATOM 1339 N TYR A 88 -1.285 -7.151 0.452 1.00 0.00 N ATOM 1340 CA TYR A 88 -1.710 -8.039 1.528 1.00 0.00 C ATOM 1341 C TYR A 88 -3.234 -8.124 1.588 1.00 0.00 C ATOM 1342 O TYR A 88 -3.884 -7.298 2.230 1.00 0.00 O ATOM 1343 CB TYR A 88 -1.157 -7.551 2.867 1.00 0.00 C ATOM 1344 CG TYR A 88 0.119 -8.248 3.280 1.00 0.00 C ATOM 1345 CD1 TYR A 88 0.095 -9.547 3.773 1.00 0.00 C ATOM 1346 CD2 TYR A 88 1.348 -7.608 3.178 1.00 0.00 C ATOM 1347 CE1 TYR A 88 1.259 -10.187 4.154 1.00 0.00 C ATOM 1348 CE2 TYR A 88 2.516 -8.242 3.556 1.00 0.00 C ATOM 1349 CZ TYR A 88 2.466 -9.531 4.043 1.00 0.00 C ATOM 1350 OH TYR A 88 3.626 -10.165 4.422 1.00 0.00 O ATOM 0 H TYR A 88 -1.779 -6.259 0.423 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.317 -9.035 1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.973 -6.478 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.911 -7.702 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.849 -10.065 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.391 -6.598 2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.223 -11.196 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.463 -7.731 3.470 1.00 0.00 H new ATOM 0 HH TYR A 88 3.580 -11.110 4.168 1.00 0.00 H new ATOM 1360 N PRO A 89 -3.828 -9.125 0.914 1.00 0.00 N ATOM 1361 CA PRO A 89 -5.281 -9.310 0.892 1.00 0.00 C ATOM 1362 C PRO A 89 -5.806 -9.956 2.170 1.00 0.00 C ATOM 1363 O PRO A 89 -5.162 -10.834 2.744 1.00 0.00 O ATOM 1364 CB PRO A 89 -5.490 -10.240 -0.300 1.00 0.00 C ATOM 1365 CG PRO A 89 -4.241 -11.051 -0.364 1.00 0.00 C ATOM 1366 CD PRO A 89 -3.130 -10.153 0.116 1.00 0.00 C ATOM 0 HA PRO A 89 -5.815 -8.363 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.367 -10.872 -0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.645 -9.677 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.321 -11.939 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.052 -11.394 -1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.404 -10.701 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.585 -9.710 -0.718 1.00 0.00 H new ATOM 1374 N ALA A 90 -6.981 -9.518 2.609 1.00 0.00 N ATOM 1375 CA ALA A 90 -7.594 -10.056 3.817 1.00 0.00 C ATOM 1376 C ALA A 90 -8.129 -11.463 3.577 1.00 0.00 C ATOM 1377 O ALA A 90 -8.826 -11.714 2.594 1.00 0.00 O ATOM 1378 CB ALA A 90 -8.708 -9.140 4.297 1.00 0.00 C ATOM 0 H ALA A 90 -7.528 -8.792 2.146 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.828 -10.112 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.156 -9.555 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.299 -8.153 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.468 -9.054 3.521 1.00 0.00 H new ATOM 1384 N GLY A 91 -7.795 -12.380 4.479 1.00 0.00 N ATOM 1385 CA GLY A 91 -8.248 -13.752 4.344 1.00 0.00 C ATOM 1386 C GLY A 91 -7.212 -14.636 3.679 1.00 0.00 C ATOM 1387 O GLY A 91 -7.061 -15.804 4.036 1.00 0.00 O ATOM 0 H GLY A 91 -7.219 -12.198 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.486 -14.153 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.169 -13.773 3.761 1.00 0.00 H new ATOM 1391 N ALA A 92 -6.496 -14.076 2.710 1.00 0.00 N ATOM 1392 CA ALA A 92 -5.466 -14.817 1.992 1.00 0.00 C ATOM 1393 C ALA A 92 -4.071 -14.272 2.296 1.00 0.00 C ATOM 1394 O ALA A 92 -3.079 -14.741 1.738 1.00 0.00 O ATOM 1395 CB ALA A 92 -5.735 -14.774 0.495 1.00 0.00 C ATOM 0 H ALA A 92 -6.610 -13.110 2.404 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.500 -15.852 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.959 -15.331 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.707 -15.222 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.732 -13.739 0.154 1.00 0.00 H new ATOM 1401 N LYS A 93 -3.997 -13.279 3.182 1.00 0.00 N ATOM 1402 CA LYS A 93 -2.720 -12.677 3.553 1.00 0.00 C ATOM 1403 C LYS A 93 -1.746 -13.734 4.068 1.00 0.00 C ATOM 1404 O LYS A 93 -2.008 -14.933 3.970 1.00 0.00 O ATOM 1405 CB LYS A 93 -2.933 -11.591 4.614 1.00 0.00 C ATOM 1406 CG LYS A 93 -3.760 -12.049 5.806 1.00 0.00 C ATOM 1407 CD LYS A 93 -2.970 -12.981 6.711 1.00 0.00 C ATOM 1408 CE LYS A 93 -3.359 -14.434 6.490 1.00 0.00 C ATOM 1409 NZ LYS A 93 -4.404 -14.882 7.452 1.00 0.00 N ATOM 0 H LYS A 93 -4.806 -12.876 3.655 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.288 -12.221 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.961 -11.248 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.424 -10.735 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.089 -11.180 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.657 -12.558 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.904 -12.856 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.143 -12.711 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.725 -14.561 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.477 -15.066 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.629 -15.883 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.052 -14.769 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.262 -14.307 7.325 1.00 0.00 H new ATOM 1423 N GLY A 94 -0.619 -13.283 4.611 1.00 0.00 N ATOM 1424 CA GLY A 94 0.377 -14.205 5.126 1.00 0.00 C ATOM 1425 C GLY A 94 1.590 -14.313 4.222 1.00 0.00 C ATOM 1426 O GLY A 94 2.649 -14.774 4.648 1.00 0.00 O ATOM 0 H GLY A 94 -0.378 -12.296 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.694 -13.877 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.072 -15.191 5.245 1.00 0.00 H new ATOM 1430 N GLN A 95 1.439 -13.882 2.973 1.00 0.00 N ATOM 1431 CA GLN A 95 2.536 -13.926 2.012 1.00 0.00 C ATOM 1432 C GLN A 95 2.725 -12.561 1.346 1.00 0.00 C ATOM 1433 O GLN A 95 1.816 -12.053 0.689 1.00 0.00 O ATOM 1434 CB GLN A 95 2.283 -15.011 0.955 1.00 0.00 C ATOM 1435 CG GLN A 95 1.226 -14.647 -0.079 1.00 0.00 C ATOM 1436 CD GLN A 95 -0.141 -14.417 0.534 1.00 0.00 C ATOM 1437 OE1 GLN A 95 -0.842 -15.365 0.888 1.00 0.00 O ATOM 1438 NE2 GLN A 95 -0.527 -13.153 0.663 1.00 0.00 N ATOM 0 H GLN A 95 0.569 -13.499 2.603 1.00 0.00 H new ATOM 0 HA GLN A 95 3.452 -14.175 2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.219 -15.225 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.980 -15.929 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.538 -13.747 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.158 -15.445 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.087 -12.398 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.437 -12.937 1.069 1.00 0.00 H new ATOM 1447 N PRO A 96 3.907 -11.939 1.512 1.00 0.00 N ATOM 1448 CA PRO A 96 4.193 -10.626 0.923 1.00 0.00 C ATOM 1449 C PRO A 96 4.143 -10.653 -0.600 1.00 0.00 C ATOM 1450 O PRO A 96 5.004 -11.251 -1.246 1.00 0.00 O ATOM 1451 CB PRO A 96 5.616 -10.307 1.400 1.00 0.00 C ATOM 1452 CG PRO A 96 5.863 -11.221 2.551 1.00 0.00 C ATOM 1453 CD PRO A 96 5.049 -12.454 2.285 1.00 0.00 C ATOM 0 HA PRO A 96 3.455 -9.883 1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.343 -10.472 0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.704 -9.263 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.922 -11.464 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.567 -10.754 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.614 -13.197 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.727 -12.932 3.210 1.00 0.00 H new ATOM 1461 N VAL A 97 3.137 -9.998 -1.172 1.00 0.00 N ATOM 1462 CA VAL A 97 2.993 -9.950 -2.622 1.00 0.00 C ATOM 1463 C VAL A 97 3.923 -8.902 -3.221 1.00 0.00 C ATOM 1464 O VAL A 97 3.679 -7.701 -3.106 1.00 0.00 O ATOM 1465 CB VAL A 97 1.542 -9.634 -3.035 1.00 0.00 C ATOM 1466 CG1 VAL A 97 1.377 -9.749 -4.543 1.00 0.00 C ATOM 1467 CG2 VAL A 97 0.570 -10.555 -2.313 1.00 0.00 C ATOM 0 H VAL A 97 2.414 -9.496 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 97 3.259 -10.935 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 97 1.317 -8.607 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.346 -9.522 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.046 -9.044 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.621 -10.763 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.450 -10.318 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.793 -11.591 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.669 -10.417 -1.236 1.00 0.00 H new ATOM 1477 N THR A 98 4.995 -9.364 -3.856 1.00 0.00 N ATOM 1478 CA THR A 98 5.968 -8.465 -4.468 1.00 0.00 C ATOM 1479 C THR A 98 5.599 -8.164 -5.917 1.00 0.00 C ATOM 1480 O THR A 98 5.438 -9.074 -6.731 1.00 0.00 O ATOM 1481 CB THR A 98 7.370 -9.074 -4.400 1.00 0.00 C ATOM 1482 OG1 THR A 98 7.300 -10.481 -4.246 1.00 0.00 O ATOM 1483 CG2 THR A 98 8.205 -8.527 -3.262 1.00 0.00 C ATOM 0 H THR A 98 5.212 -10.355 -3.961 1.00 0.00 H new ATOM 0 HA THR A 98 5.959 -7.528 -3.910 1.00 0.00 H new ATOM 0 HB THR A 98 7.848 -8.805 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.207 -10.851 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.187 -9.000 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.320 -7.450 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.710 -8.737 -2.314 1.00 0.00 H new ATOM 1491 N TYR A 99 5.466 -6.880 -6.230 1.00 0.00 N ATOM 1492 CA TYR A 99 5.116 -6.453 -7.580 1.00 0.00 C ATOM 1493 C TYR A 99 6.342 -6.444 -8.486 1.00 0.00 C ATOM 1494 O TYR A 99 7.439 -6.818 -8.071 1.00 0.00 O ATOM 1495 CB TYR A 99 4.491 -5.058 -7.547 1.00 0.00 C ATOM 1496 CG TYR A 99 2.988 -5.068 -7.389 1.00 0.00 C ATOM 1497 CD1 TYR A 99 2.365 -5.976 -6.542 1.00 0.00 C ATOM 1498 CD2 TYR A 99 2.193 -4.166 -8.084 1.00 0.00 C ATOM 1499 CE1 TYR A 99 0.991 -5.986 -6.393 1.00 0.00 C ATOM 1500 CE2 TYR A 99 0.819 -4.168 -7.940 1.00 0.00 C ATOM 1501 CZ TYR A 99 0.223 -5.080 -7.094 1.00 0.00 C ATOM 1502 OH TYR A 99 -1.146 -5.085 -6.947 1.00 0.00 O ATOM 0 H TYR A 99 5.595 -6.116 -5.567 1.00 0.00 H new ATOM 0 HA TYR A 99 4.394 -7.164 -7.981 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.930 -4.493 -6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.747 -4.533 -8.467 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.964 -6.686 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.656 -3.451 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.522 -6.699 -5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.215 -3.459 -8.487 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.408 -5.817 -6.351 1.00 0.00 H new ATOM 1512 N SER A 100 6.147 -6.007 -9.726 1.00 0.00 N ATOM 1513 CA SER A 100 7.233 -5.939 -10.695 1.00 0.00 C ATOM 1514 C SER A 100 7.725 -4.504 -10.853 1.00 0.00 C ATOM 1515 O SER A 100 8.875 -4.269 -11.224 1.00 0.00 O ATOM 1516 CB SER A 100 6.773 -6.486 -12.048 1.00 0.00 C ATOM 1517 OG SER A 100 6.412 -7.852 -11.950 1.00 0.00 O ATOM 0 H SER A 100 5.244 -5.694 -10.083 1.00 0.00 H new ATOM 0 HA SER A 100 8.057 -6.550 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.923 -5.907 -12.408 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.571 -6.369 -12.781 1.00 0.00 H new ATOM 0 HG SER A 100 6.120 -8.177 -12.827 1.00 0.00 H new ATOM 1523 N GLY A 101 6.846 -3.546 -10.567 1.00 0.00 N ATOM 1524 CA GLY A 101 7.209 -2.147 -10.681 1.00 0.00 C ATOM 1525 C GLY A 101 6.007 -1.229 -10.595 1.00 0.00 C ATOM 1526 O GLY A 101 4.947 -1.530 -11.143 1.00 0.00 O ATOM 0 H GLY A 101 5.889 -3.716 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.915 -1.892 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.720 -1.983 -11.630 1.00 0.00 H new ATOM 1530 N SER A 102 6.171 -0.105 -9.905 1.00 0.00 N ATOM 1531 CA SER A 102 5.088 0.859 -9.749 1.00 0.00 C ATOM 1532 C SER A 102 5.181 1.959 -10.801 1.00 0.00 C ATOM 1533 O SER A 102 6.274 2.366 -11.193 1.00 0.00 O ATOM 1534 CB SER A 102 5.123 1.472 -8.348 1.00 0.00 C ATOM 1535 OG SER A 102 3.882 2.076 -8.025 1.00 0.00 O ATOM 0 H SER A 102 7.042 0.160 -9.446 1.00 0.00 H new ATOM 0 HA SER A 102 4.144 0.332 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.357 0.700 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.918 2.215 -8.292 1.00 0.00 H new ATOM 0 HG SER A 102 3.715 1.986 -7.064 1.00 0.00 H new ATOM 1541 N ARG A 103 4.026 2.435 -11.256 1.00 0.00 N ATOM 1542 CA ARG A 103 3.978 3.487 -12.265 1.00 0.00 C ATOM 1543 C ARG A 103 2.791 4.416 -12.028 1.00 0.00 C ATOM 1544 O ARG A 103 2.966 5.591 -11.702 1.00 0.00 O ATOM 1545 CB ARG A 103 3.891 2.877 -13.665 1.00 0.00 C ATOM 1546 CG ARG A 103 4.514 3.744 -14.746 1.00 0.00 C ATOM 1547 CD ARG A 103 5.930 3.298 -15.071 1.00 0.00 C ATOM 1548 NE ARG A 103 6.790 4.423 -15.431 1.00 0.00 N ATOM 1549 CZ ARG A 103 8.095 4.312 -15.672 1.00 0.00 C ATOM 1550 NH1 ARG A 103 8.693 3.129 -15.593 1.00 0.00 N ATOM 1551 NH2 ARG A 103 8.803 5.385 -15.993 1.00 0.00 N ATOM 0 H ARG A 103 3.112 2.109 -10.942 1.00 0.00 H new ATOM 0 HA ARG A 103 4.895 4.071 -12.187 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.385 1.906 -13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.844 2.701 -13.911 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.902 3.700 -15.647 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.525 4.784 -14.419 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.353 2.779 -14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.905 2.583 -15.894 1.00 0.00 H new ATOM 0 HE ARG A 103 6.366 5.348 -15.502 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.153 2.300 -15.347 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.693 3.050 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.348 6.296 -16.055 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.803 5.300 -16.178 1.00 0.00 H new ATOM 1565 N THR A 104 1.584 3.884 -12.196 1.00 0.00 N ATOM 1566 CA THR A 104 0.370 4.668 -12.002 1.00 0.00 C ATOM 1567 C THR A 104 -0.515 4.048 -10.925 1.00 0.00 C ATOM 1568 O THR A 104 -0.379 2.868 -10.599 1.00 0.00 O ATOM 1569 CB THR A 104 -0.407 4.777 -13.315 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.480 4.879 -14.415 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.338 5.969 -13.363 1.00 0.00 C ATOM 0 H THR A 104 1.421 2.914 -12.466 1.00 0.00 H new ATOM 0 HA THR A 104 0.662 5.666 -11.675 1.00 0.00 H new ATOM 0 HB THR A 104 -1.005 3.868 -13.373 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.035 4.946 -15.246 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.858 5.986 -14.321 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.067 5.894 -12.556 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.761 6.886 -13.247 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.420 4.851 -10.375 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.326 4.383 -9.334 1.00 0.00 C ATOM 1581 C VAL A 105 -3.455 3.541 -9.920 1.00 0.00 C ATOM 1582 O VAL A 105 -3.991 2.658 -9.252 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.935 5.560 -8.550 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.893 6.194 -7.642 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.520 6.591 -9.504 1.00 0.00 C ATOM 0 H VAL A 105 -1.545 5.830 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.734 3.769 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.742 5.177 -7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.342 7.024 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.526 5.450 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.062 6.563 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.946 7.415 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.734 6.970 -10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.300 6.127 -10.107 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.812 3.820 -11.169 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.879 3.087 -11.842 1.00 0.00 C ATOM 1597 C GLU A 106 -4.480 1.633 -12.075 1.00 0.00 C ATOM 1598 O GLU A 106 -5.321 0.735 -12.038 1.00 0.00 O ATOM 1599 CB GLU A 106 -5.220 3.753 -13.177 1.00 0.00 C ATOM 1600 CG GLU A 106 -4.059 3.780 -14.157 1.00 0.00 C ATOM 1601 CD GLU A 106 -4.160 4.924 -15.148 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -4.753 5.965 -14.794 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -3.646 4.779 -16.277 1.00 0.00 O ATOM 0 H GLU A 106 -3.378 4.548 -11.736 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.758 3.105 -11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.058 3.225 -13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.551 4.775 -12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.123 3.864 -13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.024 2.836 -14.700 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.193 1.408 -12.314 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.684 0.062 -12.554 1.00 0.00 C ATOM 1612 C ASP A 107 -2.667 -0.753 -11.264 1.00 0.00 C ATOM 1613 O ASP A 107 -2.908 -1.960 -11.278 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.275 0.126 -13.148 1.00 0.00 C ATOM 1615 CG ASP A 107 -1.279 0.568 -14.598 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -1.588 1.750 -14.857 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -0.972 -0.267 -15.474 1.00 0.00 O ATOM 0 H ASP A 107 -2.483 2.140 -12.347 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.349 -0.429 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.668 0.816 -12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.806 -0.855 -13.071 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.380 -0.085 -10.152 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.329 -0.748 -8.854 1.00 0.00 C ATOM 1624 C LEU A 108 -3.730 -1.105 -8.366 1.00 0.00 C ATOM 1625 O LEU A 108 -3.973 -2.222 -7.912 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.633 0.148 -7.828 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.499 -0.453 -6.428 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.727 -1.763 -6.481 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -0.818 0.532 -5.490 1.00 0.00 C ATOM 0 H LEU A 108 -2.179 0.915 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.759 -1.670 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.638 0.393 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.185 1.085 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.498 -0.660 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.642 -2.176 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.255 -2.471 -7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.269 -1.582 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.731 0.089 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.176 0.769 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.410 1.445 -5.428 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.646 -0.148 -8.462 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.024 -0.358 -8.029 1.00 0.00 C ATOM 1643 C ILE A 109 -6.654 -1.544 -8.755 1.00 0.00 C ATOM 1644 O ILE A 109 -7.404 -2.319 -8.162 1.00 0.00 O ATOM 1645 CB ILE A 109 -6.878 0.905 -8.267 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.331 0.674 -7.821 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -6.808 1.327 -9.728 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.210 0.013 -8.866 1.00 0.00 C ATOM 0 H ILE A 109 -4.460 0.782 -8.836 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.999 -0.572 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.472 1.716 -7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.329 0.057 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.771 1.633 -7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.416 2.219 -9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.774 1.543 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.184 0.521 -10.358 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.217 -0.112 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.247 0.638 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.798 -0.963 -9.124 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.346 -1.678 -10.041 1.00 0.00 N ATOM 1661 CA LYS A 110 -6.884 -2.770 -10.844 1.00 0.00 C ATOM 1662 C LYS A 110 -6.400 -4.120 -10.324 1.00 0.00 C ATOM 1663 O LYS A 110 -7.194 -5.037 -10.113 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.479 -2.600 -12.309 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.112 -3.624 -13.238 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.426 -3.022 -14.598 1.00 0.00 C ATOM 1667 CE LYS A 110 -8.469 -3.840 -15.342 1.00 0.00 C ATOM 1668 NZ LYS A 110 -8.271 -3.785 -16.817 1.00 0.00 N ATOM 0 H LYS A 110 -5.728 -1.045 -10.549 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.971 -2.741 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.758 -1.600 -12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.394 -2.672 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.438 -4.472 -13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.028 -4.008 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.786 -2.001 -14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.514 -2.967 -15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.423 -4.877 -15.008 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.464 -3.470 -15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.003 -4.356 -17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.340 -2.799 -17.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.332 -4.162 -17.055 1.00 0.00 H new ATOM 1682 N PHE A 111 -5.092 -4.235 -10.120 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.500 -5.474 -9.625 1.00 0.00 C ATOM 1684 C PHE A 111 -5.097 -5.865 -8.277 1.00 0.00 C ATOM 1685 O PHE A 111 -5.469 -7.019 -8.064 1.00 0.00 O ATOM 1686 CB PHE A 111 -2.983 -5.323 -9.500 1.00 0.00 C ATOM 1687 CG PHE A 111 -2.222 -6.557 -9.892 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -2.129 -6.936 -11.222 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -1.598 -7.338 -8.932 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.429 -8.070 -11.587 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -0.897 -8.473 -9.290 1.00 0.00 C ATOM 1692 CZ PHE A 111 -0.812 -8.840 -10.620 1.00 0.00 C ATOM 0 H PHE A 111 -4.421 -3.486 -10.290 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.723 -6.265 -10.341 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.656 -4.491 -10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.735 -5.065 -8.470 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.609 -6.338 -11.982 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.661 -7.056 -7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.364 -8.354 -12.627 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.416 -9.073 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.264 -9.727 -10.903 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.184 -4.897 -7.368 1.00 0.00 N ATOM 1703 CA ILE A 112 -5.735 -5.140 -6.038 1.00 0.00 C ATOM 1704 C ILE A 112 -7.098 -5.822 -6.122 1.00 0.00 C ATOM 1705 O ILE A 112 -7.395 -6.731 -5.347 1.00 0.00 O ATOM 1706 CB ILE A 112 -5.871 -3.828 -5.238 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.513 -3.135 -5.117 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.453 -4.100 -3.857 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.611 -1.629 -5.005 1.00 0.00 C ATOM 0 H ILE A 112 -4.880 -3.937 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.037 -5.799 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.552 -3.167 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.993 -3.523 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.906 -3.388 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.541 -3.162 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.439 -4.554 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.796 -4.779 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.610 -1.204 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.103 -1.229 -5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.190 -1.367 -4.120 1.00 0.00 H new ATOM 1721 N ALA A 113 -7.920 -5.381 -7.068 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.246 -5.957 -7.248 1.00 0.00 C ATOM 1723 C ALA A 113 -9.151 -7.391 -7.755 1.00 0.00 C ATOM 1724 O ALA A 113 -10.014 -8.221 -7.467 1.00 0.00 O ATOM 1725 CB ALA A 113 -10.069 -5.108 -8.205 1.00 0.00 C ATOM 0 H ALA A 113 -7.692 -4.630 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.745 -5.971 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -11.057 -5.552 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -10.172 -4.101 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.569 -5.062 -9.172 1.00 0.00 H new ATOM 1731 N GLU A 114 -8.094 -7.678 -8.508 1.00 0.00 N ATOM 1732 CA GLU A 114 -7.883 -9.014 -9.053 1.00 0.00 C ATOM 1733 C GLU A 114 -7.406 -9.973 -7.967 1.00 0.00 C ATOM 1734 O GLU A 114 -7.973 -11.051 -7.784 1.00 0.00 O ATOM 1735 CB GLU A 114 -6.863 -8.968 -10.192 1.00 0.00 C ATOM 1736 CG GLU A 114 -7.486 -8.730 -11.558 1.00 0.00 C ATOM 1737 CD GLU A 114 -7.555 -9.992 -12.395 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -6.534 -10.706 -12.477 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -8.630 -10.265 -12.969 1.00 0.00 O ATOM 0 H GLU A 114 -7.370 -7.003 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.835 -9.376 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.140 -8.178 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.311 -9.908 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.491 -8.328 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.907 -7.976 -12.091 1.00 0.00 H new ATOM 1746 N ASN A 115 -6.362 -9.573 -7.248 1.00 0.00 N ATOM 1747 CA ASN A 115 -5.810 -10.398 -6.178 1.00 0.00 C ATOM 1748 C ASN A 115 -6.725 -10.390 -4.958 1.00 0.00 C ATOM 1749 O ASN A 115 -6.978 -11.432 -4.353 1.00 0.00 O ATOM 1750 CB ASN A 115 -4.414 -9.906 -5.787 1.00 0.00 C ATOM 1751 CG ASN A 115 -4.362 -8.405 -5.582 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -4.997 -7.866 -4.676 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -3.601 -7.722 -6.429 1.00 0.00 N ATOM 0 H ASN A 115 -5.881 -8.684 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.734 -11.421 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.100 -10.405 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.703 -10.188 -6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.525 -6.708 -6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.092 -8.211 -7.165 1.00 0.00 H new ATOM 1760 N GLY A 116 -7.218 -9.209 -4.602 1.00 0.00 N ATOM 1761 CA GLY A 116 -8.100 -9.088 -3.455 1.00 0.00 C ATOM 1762 C GLY A 116 -9.350 -9.935 -3.592 1.00 0.00 C ATOM 1763 O GLY A 116 -9.946 -10.005 -4.667 1.00 0.00 O ATOM 0 H GLY A 116 -7.023 -8.333 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.562 -9.383 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.385 -8.044 -3.328 1.00 0.00 H new ATOM 1767 N LYS A 117 -9.749 -10.580 -2.501 1.00 0.00 N ATOM 1768 CA LYS A 117 -10.936 -11.427 -2.504 1.00 0.00 C ATOM 1769 C LYS A 117 -12.204 -10.590 -2.366 1.00 0.00 C ATOM 1770 O LYS A 117 -13.221 -10.877 -2.998 1.00 0.00 O ATOM 1771 CB LYS A 117 -10.862 -12.450 -1.368 1.00 0.00 C ATOM 1772 CG LYS A 117 -12.050 -13.398 -1.324 1.00 0.00 C ATOM 1773 CD LYS A 117 -11.743 -14.638 -0.501 1.00 0.00 C ATOM 1774 CE LYS A 117 -13.011 -15.398 -0.147 1.00 0.00 C ATOM 1775 NZ LYS A 117 -12.714 -16.683 0.544 1.00 0.00 N ATOM 0 H LYS A 117 -9.268 -10.532 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.972 -11.954 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.947 -13.032 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.795 -11.921 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -12.912 -12.883 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.321 -13.691 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.071 -15.289 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.223 -14.350 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.639 -14.778 0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.580 -15.597 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.605 -17.171 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.136 -17.285 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.193 -16.492 1.424 1.00 0.00 H new ATOM 1789 N TYR A 118 -12.136 -9.554 -1.537 1.00 0.00 N ATOM 1790 CA TYR A 118 -13.278 -8.673 -1.315 1.00 0.00 C ATOM 1791 C TYR A 118 -13.758 -8.058 -2.626 1.00 0.00 C ATOM 1792 O TYR A 118 -14.940 -7.755 -2.784 1.00 0.00 O ATOM 1793 CB TYR A 118 -12.909 -7.567 -0.324 1.00 0.00 C ATOM 1794 CG TYR A 118 -13.204 -7.921 1.116 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -14.511 -8.079 1.559 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -12.175 -8.097 2.033 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -14.785 -8.402 2.875 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -12.441 -8.421 3.350 1.00 0.00 C ATOM 1799 CZ TYR A 118 -13.747 -8.572 3.766 1.00 0.00 C ATOM 1800 OH TYR A 118 -14.016 -8.894 5.076 1.00 0.00 O ATOM 0 H TYR A 118 -11.301 -9.303 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.089 -9.270 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -11.847 -7.341 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.454 -6.660 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -15.327 -7.947 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.151 -7.979 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -15.807 -8.521 3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -11.630 -8.555 4.050 1.00 0.00 H new ATOM 0 HH TYR A 118 -13.175 -8.979 5.571 1.00 0.00 H new