USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.0097) USER MOD Single : A 24 SER OG : rot 150:sc= 0.0175 USER MOD Single : A 29 MET CE :methyl -158:sc=-0.00604 (180deg=-0.326) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.108 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 147:sc= -0.404 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -4.25! C(o=-4.3!,f=-2.2!) USER MOD Single : A 58 THR OG1 : rot -99:sc= 1.03 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= -0.128 (180deg=-0.356) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc=-0.00938 (180deg=-0.163) USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.013 USER MOD Single : A 72 ASN : amide:sc= -4.32! C(o=-4.3!,f=-13!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0292 USER MOD Single : A 86 THR OG1 : rot -92:sc= 0.941 USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.65) USER MOD Single : A 91 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.2) USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= 0.0458 (180deg=0.00824) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 24:sc= -2.01! USER MOD Single : A 104 THR OG1 : rot -10:sc= 0.484 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0815 X(o=-0.082,f=0.13) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -7.847 5.919 3.679 1.00 0.00 N ATOM 67 CA ASP A 8 -6.708 6.438 2.930 1.00 0.00 C ATOM 68 C ASP A 8 -6.108 5.357 2.036 1.00 0.00 C ATOM 69 O ASP A 8 -5.434 5.656 1.050 1.00 0.00 O ATOM 70 CB ASP A 8 -5.643 6.975 3.888 1.00 0.00 C ATOM 71 CG ASP A 8 -6.026 8.312 4.489 1.00 0.00 C ATOM 72 OD1 ASP A 8 -7.048 8.371 5.204 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.303 9.301 4.245 1.00 0.00 O ATOM 0 HA ASP A 8 -7.060 7.253 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.482 6.253 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.698 7.077 3.355 1.00 0.00 H new ATOM 78 N VAL A 9 -6.355 4.100 2.389 1.00 0.00 N ATOM 79 CA VAL A 9 -5.840 2.974 1.618 1.00 0.00 C ATOM 80 C VAL A 9 -6.547 2.859 0.273 1.00 0.00 C ATOM 81 O VAL A 9 -7.776 2.822 0.207 1.00 0.00 O ATOM 82 CB VAL A 9 -6.001 1.648 2.386 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.553 0.476 1.526 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.221 1.691 3.691 1.00 0.00 C ATOM 0 H VAL A 9 -6.908 3.835 3.204 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.779 3.163 1.452 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.056 1.511 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.674 -0.452 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.159 0.436 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.505 0.603 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.346 0.747 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.164 1.851 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.593 2.507 4.311 1.00 0.00 H new ATOM 94 N ILE A 10 -5.763 2.802 -0.798 1.00 0.00 N ATOM 95 CA ILE A 10 -6.314 2.689 -2.143 1.00 0.00 C ATOM 96 C ILE A 10 -6.161 1.272 -2.683 1.00 0.00 C ATOM 97 O ILE A 10 -5.121 0.639 -2.505 1.00 0.00 O ATOM 98 CB ILE A 10 -5.635 3.673 -3.114 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.808 5.111 -2.621 1.00 0.00 C ATOM 100 CG2 ILE A 10 -6.208 3.515 -4.515 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.833 6.085 -3.246 1.00 0.00 C ATOM 0 H ILE A 10 -4.744 2.832 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.373 2.935 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.569 3.447 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.825 5.440 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.687 5.132 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.718 4.217 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.038 2.497 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.279 3.718 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.013 7.085 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.813 5.780 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.969 6.093 -4.327 1.00 0.00 H new ATOM 113 N GLU A 11 -7.204 0.780 -3.345 1.00 0.00 N ATOM 114 CA GLU A 11 -7.183 -0.563 -3.912 1.00 0.00 C ATOM 115 C GLU A 11 -6.864 -0.519 -5.404 1.00 0.00 C ATOM 116 O GLU A 11 -7.431 0.281 -6.149 1.00 0.00 O ATOM 117 CB GLU A 11 -8.529 -1.255 -3.688 1.00 0.00 C ATOM 118 CG GLU A 11 -8.631 -2.617 -4.354 1.00 0.00 C ATOM 119 CD GLU A 11 -9.719 -3.483 -3.748 1.00 0.00 C ATOM 120 OE1 GLU A 11 -9.897 -3.435 -2.513 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.393 -4.207 -4.510 1.00 0.00 O ATOM 0 H GLU A 11 -8.073 1.291 -3.501 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.401 -1.131 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.695 -1.370 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.325 -0.614 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.829 -2.483 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.674 -3.131 -4.270 1.00 0.00 H new ATOM 128 N LEU A 12 -5.952 -1.384 -5.833 1.00 0.00 N ATOM 129 CA LEU A 12 -5.555 -1.445 -7.236 1.00 0.00 C ATOM 130 C LEU A 12 -5.768 -2.845 -7.802 1.00 0.00 C ATOM 131 O LEU A 12 -6.168 -3.763 -7.084 1.00 0.00 O ATOM 132 CB LEU A 12 -4.088 -1.038 -7.389 1.00 0.00 C ATOM 133 CG LEU A 12 -3.685 0.282 -6.732 1.00 0.00 C ATOM 134 CD1 LEU A 12 -2.176 0.351 -6.554 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.182 1.461 -7.556 1.00 0.00 C ATOM 0 H LEU A 12 -5.473 -2.053 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.179 -0.749 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.467 -1.832 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.858 -0.976 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.149 0.332 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.908 1.298 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.846 -0.473 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.691 0.278 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.886 2.393 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.748 1.416 -8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.269 1.420 -7.631 1.00 0.00 H new ATOM 147 N THR A 13 -5.498 -3.003 -9.094 1.00 0.00 N ATOM 148 CA THR A 13 -5.659 -4.291 -9.756 1.00 0.00 C ATOM 149 C THR A 13 -4.421 -4.649 -10.570 1.00 0.00 C ATOM 150 O THR A 13 -3.421 -3.931 -10.546 1.00 0.00 O ATOM 151 CB THR A 13 -6.889 -4.295 -10.684 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.829 -3.181 -11.582 1.00 0.00 O ATOM 153 CG2 THR A 13 -8.176 -4.234 -9.877 1.00 0.00 C ATOM 0 H THR A 13 -5.167 -2.254 -9.703 1.00 0.00 H new ATOM 0 HA THR A 13 -5.802 -5.034 -8.972 1.00 0.00 H new ATOM 0 HB THR A 13 -6.882 -5.223 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.613 -3.192 -12.169 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.030 -4.238 -10.554 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.232 -5.099 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.189 -3.321 -9.281 1.00 0.00 H new ATOM 161 N ASP A 14 -4.494 -5.764 -11.290 1.00 0.00 N ATOM 162 CA ASP A 14 -3.379 -6.216 -12.113 1.00 0.00 C ATOM 163 C ASP A 14 -3.118 -5.242 -13.258 1.00 0.00 C ATOM 164 O ASP A 14 -2.048 -5.256 -13.866 1.00 0.00 O ATOM 165 CB ASP A 14 -3.663 -7.613 -12.670 1.00 0.00 C ATOM 166 CG ASP A 14 -5.050 -7.726 -13.270 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.202 -7.432 -14.474 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.985 -8.108 -12.535 1.00 0.00 O ATOM 0 H ASP A 14 -5.313 -6.371 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.489 -6.257 -11.485 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.921 -7.856 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.554 -8.348 -11.872 1.00 0.00 H new ATOM 173 N ASP A 15 -4.103 -4.399 -13.546 1.00 0.00 N ATOM 174 CA ASP A 15 -3.980 -3.417 -14.618 1.00 0.00 C ATOM 175 C ASP A 15 -3.849 -2.007 -14.051 1.00 0.00 C ATOM 176 O ASP A 15 -2.951 -1.256 -14.431 1.00 0.00 O ATOM 177 CB ASP A 15 -5.189 -3.495 -15.551 1.00 0.00 C ATOM 178 CG ASP A 15 -5.308 -4.843 -16.234 1.00 0.00 C ATOM 179 OD1 ASP A 15 -4.336 -5.258 -16.900 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.372 -5.484 -16.104 1.00 0.00 O ATOM 0 H ASP A 15 -4.995 -4.375 -13.053 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.078 -3.646 -15.185 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.097 -3.298 -14.981 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.112 -2.714 -16.307 1.00 0.00 H new ATOM 185 N SER A 16 -4.751 -1.655 -13.141 1.00 0.00 N ATOM 186 CA SER A 16 -4.739 -0.333 -12.525 1.00 0.00 C ATOM 187 C SER A 16 -3.444 -0.105 -11.752 1.00 0.00 C ATOM 188 O SER A 16 -2.890 0.994 -11.755 1.00 0.00 O ATOM 189 CB SER A 16 -5.939 -0.172 -11.590 1.00 0.00 C ATOM 190 OG SER A 16 -7.104 0.188 -12.312 1.00 0.00 O ATOM 0 H SER A 16 -5.499 -2.266 -12.814 1.00 0.00 H new ATOM 0 HA SER A 16 -4.803 0.411 -13.319 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.114 -1.105 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.721 0.590 -10.842 1.00 0.00 H new ATOM 0 HG SER A 16 -7.857 0.283 -11.692 1.00 0.00 H new ATOM 196 N PHE A 17 -2.965 -1.153 -11.089 1.00 0.00 N ATOM 197 CA PHE A 17 -1.735 -1.069 -10.310 1.00 0.00 C ATOM 198 C PHE A 17 -0.700 -0.203 -11.021 1.00 0.00 C ATOM 199 O PHE A 17 0.016 0.573 -10.388 1.00 0.00 O ATOM 200 CB PHE A 17 -1.165 -2.468 -10.065 1.00 0.00 C ATOM 201 CG PHE A 17 0.297 -2.467 -9.721 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.251 -2.215 -10.694 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.717 -2.718 -8.425 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.597 -2.215 -10.380 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.062 -2.719 -8.105 1.00 0.00 C ATOM 206 CZ PHE A 17 3.003 -2.466 -9.084 1.00 0.00 C ATOM 0 H PHE A 17 -3.410 -2.071 -11.076 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.972 -0.608 -9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.720 -2.941 -9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.320 -3.076 -10.956 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.939 -2.016 -11.709 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.015 -2.915 -7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.331 -2.019 -11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.376 -2.917 -7.091 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.054 -2.464 -8.836 1.00 0.00 H new ATOM 216 N ASP A 18 -0.626 -0.342 -12.340 1.00 0.00 N ATOM 217 CA ASP A 18 0.321 0.427 -13.138 1.00 0.00 C ATOM 218 C ASP A 18 -0.310 1.726 -13.628 1.00 0.00 C ATOM 219 O ASP A 18 0.357 2.756 -13.724 1.00 0.00 O ATOM 220 CB ASP A 18 0.806 -0.400 -14.330 1.00 0.00 C ATOM 221 CG ASP A 18 -0.121 -0.293 -15.525 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.303 0.832 -16.036 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.664 -1.334 -15.949 1.00 0.00 O ATOM 0 H ASP A 18 -1.211 -0.980 -12.879 1.00 0.00 H new ATOM 0 HA ASP A 18 1.174 0.674 -12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.804 -0.068 -14.617 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.891 -1.445 -14.033 1.00 0.00 H new ATOM 228 N LYS A 19 -1.601 1.670 -13.939 1.00 0.00 N ATOM 229 CA LYS A 19 -2.324 2.842 -14.419 1.00 0.00 C ATOM 230 C LYS A 19 -2.454 3.890 -13.319 1.00 0.00 C ATOM 231 O LYS A 19 -2.789 5.044 -13.584 1.00 0.00 O ATOM 232 CB LYS A 19 -3.712 2.439 -14.921 1.00 0.00 C ATOM 233 CG LYS A 19 -3.698 1.240 -15.853 1.00 0.00 C ATOM 234 CD LYS A 19 -3.571 1.665 -17.307 1.00 0.00 C ATOM 235 CE LYS A 19 -2.115 1.759 -17.735 1.00 0.00 C ATOM 236 NZ LYS A 19 -1.973 2.354 -19.093 1.00 0.00 N ATOM 0 H LYS A 19 -2.168 0.825 -13.867 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.757 3.275 -15.243 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.348 2.215 -14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.162 3.286 -15.439 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.868 0.584 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.614 0.664 -15.720 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.093 0.950 -17.943 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.056 2.631 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.563 2.363 -17.015 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.669 0.765 -17.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.966 2.401 -19.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.478 1.764 -19.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.376 3.313 -19.096 1.00 0.00 H new ATOM 250 N ASN A 20 -2.185 3.480 -12.083 1.00 0.00 N ATOM 251 CA ASN A 20 -2.272 4.385 -10.942 1.00 0.00 C ATOM 252 C ASN A 20 -0.881 4.774 -10.451 1.00 0.00 C ATOM 253 O ASN A 20 -0.662 5.900 -10.003 1.00 0.00 O ATOM 254 CB ASN A 20 -3.063 3.733 -9.807 1.00 0.00 C ATOM 255 CG ASN A 20 -4.561 3.801 -10.032 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.270 4.536 -9.344 1.00 0.00 O ATOM 257 ND2 ASN A 20 -5.049 3.033 -10.999 1.00 0.00 N ATOM 0 H ASN A 20 -1.905 2.528 -11.846 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.790 5.288 -11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.760 2.691 -9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.817 4.226 -8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.050 3.036 -11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.423 2.440 -11.544 1.00 0.00 H new ATOM 264 N VAL A 21 0.056 3.835 -10.537 1.00 0.00 N ATOM 265 CA VAL A 21 1.426 4.080 -10.102 1.00 0.00 C ATOM 266 C VAL A 21 2.260 4.683 -11.227 1.00 0.00 C ATOM 267 O VAL A 21 2.861 5.746 -11.068 1.00 0.00 O ATOM 268 CB VAL A 21 2.100 2.784 -9.616 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.600 2.988 -9.460 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.478 2.318 -8.309 1.00 0.00 C ATOM 0 H VAL A 21 -0.109 2.898 -10.904 1.00 0.00 H new ATOM 0 HA VAL A 21 1.374 4.786 -9.274 1.00 0.00 H new ATOM 0 HB VAL A 21 1.939 2.008 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.059 2.061 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.030 3.271 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.786 3.778 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.967 1.401 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.606 3.090 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.415 2.129 -8.459 1.00 0.00 H new ATOM 280 N LEU A 22 2.291 3.998 -12.365 1.00 0.00 N ATOM 281 CA LEU A 22 3.051 4.466 -13.519 1.00 0.00 C ATOM 282 C LEU A 22 2.456 5.755 -14.077 1.00 0.00 C ATOM 283 O LEU A 22 3.183 6.655 -14.497 1.00 0.00 O ATOM 284 CB LEU A 22 3.078 3.391 -14.607 1.00 0.00 C ATOM 285 CG LEU A 22 3.459 1.982 -14.149 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.846 1.120 -15.341 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.595 2.039 -13.138 1.00 0.00 C ATOM 0 H LEU A 22 1.799 3.117 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 22 4.071 4.670 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.092 3.347 -15.071 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.780 3.702 -15.380 1.00 0.00 H new ATOM 0 HG LEU A 22 2.592 1.530 -13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.114 0.121 -14.996 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.004 1.052 -16.030 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.698 1.568 -15.853 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.853 1.028 -12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.465 2.510 -13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.281 2.620 -12.271 1.00 0.00 H new ATOM 299 N ASP A 23 1.130 5.837 -14.076 1.00 0.00 N ATOM 300 CA ASP A 23 0.436 7.017 -14.579 1.00 0.00 C ATOM 301 C ASP A 23 0.512 8.162 -13.573 1.00 0.00 C ATOM 302 O ASP A 23 -0.065 9.228 -13.786 1.00 0.00 O ATOM 303 CB ASP A 23 -1.025 6.685 -14.883 1.00 0.00 C ATOM 304 CG ASP A 23 -1.587 7.526 -16.013 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.817 7.874 -16.933 1.00 0.00 O ATOM 306 OD2 ASP A 23 -2.796 7.835 -15.977 1.00 0.00 O ATOM 0 H ASP A 23 0.514 5.100 -13.732 1.00 0.00 H new ATOM 0 HA ASP A 23 0.927 7.332 -15.499 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.108 5.630 -15.143 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.624 6.840 -13.986 1.00 0.00 H new ATOM 311 N SER A 24 1.227 7.932 -12.476 1.00 0.00 N ATOM 312 CA SER A 24 1.374 8.942 -11.435 1.00 0.00 C ATOM 313 C SER A 24 2.841 9.125 -11.058 1.00 0.00 C ATOM 314 O SER A 24 3.478 8.209 -10.538 1.00 0.00 O ATOM 315 CB SER A 24 0.563 8.552 -10.198 1.00 0.00 C ATOM 316 OG SER A 24 0.476 9.631 -9.283 1.00 0.00 O ATOM 0 H SER A 24 1.713 7.056 -12.286 1.00 0.00 H new ATOM 0 HA SER A 24 0.997 9.887 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.439 8.244 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.027 7.695 -9.711 1.00 0.00 H new ATOM 0 HG SER A 24 -0.367 9.572 -8.787 1.00 0.00 H new ATOM 322 N GLU A 25 3.371 10.314 -11.326 1.00 0.00 N ATOM 323 CA GLU A 25 4.764 10.617 -11.016 1.00 0.00 C ATOM 324 C GLU A 25 5.022 10.513 -9.516 1.00 0.00 C ATOM 325 O GLU A 25 6.168 10.402 -9.079 1.00 0.00 O ATOM 326 CB GLU A 25 5.127 12.018 -11.512 1.00 0.00 C ATOM 327 CG GLU A 25 5.116 12.150 -13.025 1.00 0.00 C ATOM 328 CD GLU A 25 6.462 11.832 -13.648 1.00 0.00 C ATOM 329 OE1 GLU A 25 7.493 12.249 -13.079 1.00 0.00 O ATOM 330 OE2 GLU A 25 6.484 11.165 -14.704 1.00 0.00 O ATOM 0 H GLU A 25 2.858 11.083 -11.757 1.00 0.00 H new ATOM 0 HA GLU A 25 5.391 9.886 -11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.426 12.737 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.117 12.281 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.361 11.481 -13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.825 13.165 -13.295 1.00 0.00 H new ATOM 337 N ASP A 26 3.950 10.551 -8.733 1.00 0.00 N ATOM 338 CA ASP A 26 4.059 10.461 -7.281 1.00 0.00 C ATOM 339 C ASP A 26 4.426 9.044 -6.851 1.00 0.00 C ATOM 340 O ASP A 26 4.199 8.082 -7.585 1.00 0.00 O ATOM 341 CB ASP A 26 2.745 10.883 -6.622 1.00 0.00 C ATOM 342 CG ASP A 26 2.430 12.349 -6.847 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.601 12.824 -7.989 1.00 0.00 O ATOM 344 OD2 ASP A 26 2.013 13.021 -5.880 1.00 0.00 O ATOM 0 H ASP A 26 2.995 10.644 -9.079 1.00 0.00 H new ATOM 0 HA ASP A 26 4.851 11.136 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.932 10.275 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.799 10.686 -5.551 1.00 0.00 H new ATOM 349 N VAL A 27 4.997 8.923 -5.657 1.00 0.00 N ATOM 350 CA VAL A 27 5.396 7.624 -5.128 1.00 0.00 C ATOM 351 C VAL A 27 4.183 6.816 -4.681 1.00 0.00 C ATOM 352 O VAL A 27 3.253 7.355 -4.081 1.00 0.00 O ATOM 353 CB VAL A 27 6.364 7.775 -3.940 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.625 6.425 -3.289 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.667 8.417 -4.393 1.00 0.00 C ATOM 0 H VAL A 27 5.194 9.709 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 27 5.903 7.096 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 27 5.902 8.427 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.311 6.551 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.685 6.007 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.066 5.748 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.339 8.516 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.135 7.792 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.461 9.403 -4.809 1.00 0.00 H new ATOM 365 N TRP A 28 4.199 5.522 -4.977 1.00 0.00 N ATOM 366 CA TRP A 28 3.100 4.638 -4.605 1.00 0.00 C ATOM 367 C TRP A 28 3.611 3.431 -3.827 1.00 0.00 C ATOM 368 O TRP A 28 4.335 2.595 -4.367 1.00 0.00 O ATOM 369 CB TRP A 28 2.346 4.175 -5.853 1.00 0.00 C ATOM 370 CG TRP A 28 1.328 5.165 -6.334 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.568 6.309 -7.041 1.00 0.00 C ATOM 372 CD2 TRP A 28 -0.089 5.100 -6.140 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.385 6.958 -7.299 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.646 6.237 -6.758 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.941 4.192 -5.507 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.016 6.487 -6.758 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.300 4.442 -5.508 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.827 5.581 -6.131 1.00 0.00 C ATOM 0 H TRP A 28 4.961 5.061 -5.474 1.00 0.00 H new ATOM 0 HA TRP A 28 2.418 5.197 -3.964 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.063 3.985 -6.652 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.849 3.229 -5.638 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.544 6.653 -7.351 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.290 7.835 -7.811 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.545 3.310 -5.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.424 7.365 -7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.968 3.747 -5.020 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.894 5.747 -6.116 1.00 0.00 H new ATOM 389 N MET A 29 3.228 3.345 -2.557 1.00 0.00 N ATOM 390 CA MET A 29 3.648 2.238 -1.706 1.00 0.00 C ATOM 391 C MET A 29 2.639 1.095 -1.765 1.00 0.00 C ATOM 392 O MET A 29 1.580 1.156 -1.140 1.00 0.00 O ATOM 393 CB MET A 29 3.816 2.712 -0.262 1.00 0.00 C ATOM 394 CG MET A 29 5.203 3.255 0.043 1.00 0.00 C ATOM 395 SD MET A 29 5.418 3.674 1.783 1.00 0.00 S ATOM 396 CE MET A 29 6.447 2.315 2.334 1.00 0.00 C ATOM 0 H MET A 29 2.628 4.028 -2.095 1.00 0.00 H new ATOM 0 HA MET A 29 4.607 1.872 -2.074 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.078 3.487 -0.055 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.604 1.881 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.950 2.514 -0.243 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.384 4.141 -0.565 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.351 2.201 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.130 1.396 1.842 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.487 2.521 2.082 1.00 0.00 H new ATOM 406 N VAL A 30 2.974 0.053 -2.519 1.00 0.00 N ATOM 407 CA VAL A 30 2.098 -1.104 -2.658 1.00 0.00 C ATOM 408 C VAL A 30 2.431 -2.173 -1.624 1.00 0.00 C ATOM 409 O VAL A 30 3.592 -2.538 -1.447 1.00 0.00 O ATOM 410 CB VAL A 30 2.200 -1.719 -4.067 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.195 -2.849 -4.230 1.00 0.00 C ATOM 412 CG2 VAL A 30 1.991 -0.651 -5.130 1.00 0.00 C ATOM 0 H VAL A 30 3.846 -0.014 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 30 1.080 -0.751 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 30 3.200 -2.134 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.282 -3.271 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.396 -3.624 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.186 -2.462 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.066 -1.103 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.004 -0.205 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.753 0.121 -5.025 1.00 0.00 H new ATOM 422 N GLU A 31 1.403 -2.670 -0.943 1.00 0.00 N ATOM 423 CA GLU A 31 1.587 -3.698 0.075 1.00 0.00 C ATOM 424 C GLU A 31 0.702 -4.909 -0.208 1.00 0.00 C ATOM 425 O GLU A 31 -0.447 -4.968 0.229 1.00 0.00 O ATOM 426 CB GLU A 31 1.271 -3.135 1.462 1.00 0.00 C ATOM 427 CG GLU A 31 1.227 -4.193 2.552 1.00 0.00 C ATOM 428 CD GLU A 31 -0.172 -4.724 2.794 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.139 -4.079 2.338 1.00 0.00 O ATOM 430 OE2 GLU A 31 -0.300 -5.785 3.440 1.00 0.00 O ATOM 0 H GLU A 31 0.435 -2.378 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 31 2.629 -4.017 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.022 -2.389 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.310 -2.622 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.883 -5.019 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.617 -3.771 3.478 1.00 0.00 H new ATOM 437 N PHE A 32 1.246 -5.873 -0.944 1.00 0.00 N ATOM 438 CA PHE A 32 0.507 -7.082 -1.287 1.00 0.00 C ATOM 439 C PHE A 32 0.079 -7.833 -0.030 1.00 0.00 C ATOM 440 O PHE A 32 0.908 -8.183 0.810 1.00 0.00 O ATOM 441 CB PHE A 32 1.361 -7.992 -2.173 1.00 0.00 C ATOM 442 CG PHE A 32 1.887 -7.310 -3.403 1.00 0.00 C ATOM 443 CD1 PHE A 32 3.036 -6.538 -3.345 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.233 -7.442 -4.618 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.522 -5.908 -4.475 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.715 -6.815 -5.752 1.00 0.00 C ATOM 447 CZ PHE A 32 2.861 -6.048 -5.680 1.00 0.00 C ATOM 0 H PHE A 32 2.196 -5.840 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.388 -6.788 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.201 -8.369 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.767 -8.856 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.558 -6.427 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.337 -8.041 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.417 -5.307 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.196 -6.925 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.240 -5.558 -6.565 1.00 0.00 H new ATOM 457 N TYR A 33 -1.222 -8.076 0.092 1.00 0.00 N ATOM 458 CA TYR A 33 -1.762 -8.782 1.247 1.00 0.00 C ATOM 459 C TYR A 33 -2.770 -9.843 0.814 1.00 0.00 C ATOM 460 O TYR A 33 -3.120 -9.940 -0.361 1.00 0.00 O ATOM 461 CB TYR A 33 -2.424 -7.796 2.210 1.00 0.00 C ATOM 462 CG TYR A 33 -3.796 -7.342 1.764 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.907 -8.160 1.925 1.00 0.00 C ATOM 464 CD2 TYR A 33 -3.980 -6.095 1.179 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.162 -7.750 1.518 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.232 -5.676 0.771 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.319 -6.507 0.942 1.00 0.00 C ATOM 468 OH TYR A 33 -7.567 -6.093 0.535 1.00 0.00 O ATOM 0 H TYR A 33 -1.921 -7.794 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.936 -9.278 1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.506 -8.260 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.781 -6.923 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.788 -9.134 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.130 -5.443 1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.015 -8.399 1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.358 -4.703 0.320 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.504 -5.193 0.151 1.00 0.00 H new ATOM 478 N ALA A 34 -3.233 -10.636 1.775 1.00 0.00 N ATOM 479 CA ALA A 34 -4.203 -11.688 1.496 1.00 0.00 C ATOM 480 C ALA A 34 -5.459 -11.516 2.343 1.00 0.00 C ATOM 481 O ALA A 34 -5.395 -11.249 3.544 1.00 0.00 O ATOM 482 CB ALA A 34 -3.583 -13.056 1.739 1.00 0.00 C ATOM 0 H ALA A 34 -2.952 -10.570 2.753 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.491 -11.613 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.319 -13.832 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.720 -13.186 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.265 -13.132 2.779 1.00 0.00 H new ATOM 488 N PRO A 35 -6.629 -11.671 1.707 1.00 0.00 N ATOM 489 CA PRO A 35 -7.922 -11.538 2.384 1.00 0.00 C ATOM 490 C PRO A 35 -8.188 -12.681 3.358 1.00 0.00 C ATOM 491 O PRO A 35 -9.176 -12.666 4.091 1.00 0.00 O ATOM 492 CB PRO A 35 -8.931 -11.570 1.233 1.00 0.00 C ATOM 493 CG PRO A 35 -8.241 -12.322 0.147 1.00 0.00 C ATOM 494 CD PRO A 35 -6.780 -11.991 0.277 1.00 0.00 C ATOM 0 HA PRO A 35 -7.973 -10.633 2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.856 -12.064 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.196 -10.563 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.409 -13.394 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.621 -12.031 -0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.150 -12.831 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.501 -11.148 -0.355 1.00 0.00 H new ATOM 502 N TRP A 36 -7.300 -13.668 3.359 1.00 0.00 N ATOM 503 CA TRP A 36 -7.440 -14.820 4.244 1.00 0.00 C ATOM 504 C TRP A 36 -6.184 -15.014 5.086 1.00 0.00 C ATOM 505 O TRP A 36 -6.092 -15.959 5.871 1.00 0.00 O ATOM 506 CB TRP A 36 -7.724 -16.083 3.429 1.00 0.00 C ATOM 507 CG TRP A 36 -6.980 -16.131 2.129 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.518 -16.075 0.875 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.564 -16.248 1.956 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.521 -16.150 -0.068 1.00 0.00 N ATOM 511 CE2 TRP A 36 -5.313 -16.255 0.569 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.483 -16.344 2.836 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -4.027 -16.357 0.047 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -3.207 -16.445 2.316 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.987 -16.450 0.932 1.00 0.00 C ATOM 0 H TRP A 36 -6.476 -13.695 2.758 1.00 0.00 H new ATOM 0 HA TRP A 36 -8.279 -14.633 4.915 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.459 -16.957 4.023 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.794 -16.145 3.230 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.572 -15.985 0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.658 -16.131 -1.079 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.642 -16.339 3.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.856 -16.363 -1.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.365 -16.521 2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.977 -16.529 0.556 1.00 0.00 H new ATOM 526 N CYS A 37 -5.219 -14.117 4.917 1.00 0.00 N ATOM 527 CA CYS A 37 -3.967 -14.191 5.662 1.00 0.00 C ATOM 528 C CYS A 37 -4.053 -13.381 6.952 1.00 0.00 C ATOM 529 O CYS A 37 -4.317 -12.180 6.926 1.00 0.00 O ATOM 530 CB CYS A 37 -2.808 -13.684 4.804 1.00 0.00 C ATOM 531 SG CYS A 37 -1.194 -13.776 5.614 1.00 0.00 S ATOM 0 H CYS A 37 -5.279 -13.330 4.271 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.788 -15.235 5.921 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.773 -14.263 3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.003 -12.649 4.524 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.278 -13.327 4.808 1.00 0.00 H new ATOM 537 N GLY A 38 -3.830 -14.049 8.080 1.00 0.00 N ATOM 538 CA GLY A 38 -3.889 -13.376 9.364 1.00 0.00 C ATOM 539 C GLY A 38 -2.952 -12.187 9.439 1.00 0.00 C ATOM 540 O GLY A 38 -3.386 -11.059 9.676 1.00 0.00 O ATOM 0 H GLY A 38 -3.610 -15.044 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.910 -13.042 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.637 -14.084 10.154 1.00 0.00 H new ATOM 544 N HIS A 39 -1.662 -12.438 9.238 1.00 0.00 N ATOM 545 CA HIS A 39 -0.661 -11.379 9.284 1.00 0.00 C ATOM 546 C HIS A 39 -1.220 -10.077 8.718 1.00 0.00 C ATOM 547 O HIS A 39 -1.051 -9.009 9.308 1.00 0.00 O ATOM 548 CB HIS A 39 0.587 -11.793 8.505 1.00 0.00 C ATOM 549 CG HIS A 39 1.562 -12.592 9.315 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.922 -12.569 9.093 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.366 -13.439 10.352 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.521 -13.369 9.957 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.598 -13.908 10.733 1.00 0.00 N ATOM 0 H HIS A 39 -1.286 -13.366 9.042 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.391 -11.214 10.327 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.285 -12.377 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.085 -10.898 8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.417 -13.698 10.797 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.584 -13.551 10.018 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.773 -14.566 11.492 1.00 0.00 H new ATOM 562 N CYS A 40 -1.884 -10.173 7.571 1.00 0.00 N ATOM 563 CA CYS A 40 -2.466 -9.003 6.924 1.00 0.00 C ATOM 564 C CYS A 40 -3.539 -8.372 7.806 1.00 0.00 C ATOM 565 O CYS A 40 -3.489 -7.179 8.106 1.00 0.00 O ATOM 566 CB CYS A 40 -3.063 -9.388 5.570 1.00 0.00 C ATOM 567 SG CYS A 40 -4.379 -8.285 5.003 1.00 0.00 S ATOM 0 H CYS A 40 -2.032 -11.049 7.070 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.673 -8.272 6.768 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.268 -9.400 4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.456 -10.403 5.634 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.345 -8.200 3.706 1.00 0.00 H new ATOM 573 N LYS A 41 -4.510 -9.180 8.216 1.00 0.00 N ATOM 574 CA LYS A 41 -5.597 -8.702 9.063 1.00 0.00 C ATOM 575 C LYS A 41 -5.065 -7.806 10.177 1.00 0.00 C ATOM 576 O LYS A 41 -5.696 -6.816 10.545 1.00 0.00 O ATOM 577 CB LYS A 41 -6.359 -9.884 9.666 1.00 0.00 C ATOM 578 CG LYS A 41 -7.008 -10.783 8.627 1.00 0.00 C ATOM 579 CD LYS A 41 -8.395 -10.289 8.251 1.00 0.00 C ATOM 580 CE LYS A 41 -8.789 -10.745 6.854 1.00 0.00 C ATOM 581 NZ LYS A 41 -10.229 -10.487 6.572 1.00 0.00 N ATOM 0 H LYS A 41 -4.567 -10.170 7.976 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.277 -8.117 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.673 -10.478 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.129 -9.505 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.381 -10.823 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.075 -11.799 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.122 -10.658 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.421 -9.200 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.176 -10.227 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.583 -11.810 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.458 -10.812 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.815 -11.001 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.420 -9.468 6.648 1.00 0.00 H new ATOM 595 N ASN A 42 -3.899 -8.160 10.709 1.00 0.00 N ATOM 596 CA ASN A 42 -3.282 -7.387 11.780 1.00 0.00 C ATOM 597 C ASN A 42 -2.655 -6.107 11.236 1.00 0.00 C ATOM 598 O ASN A 42 -2.582 -5.093 11.932 1.00 0.00 O ATOM 599 CB ASN A 42 -2.220 -8.224 12.496 1.00 0.00 C ATOM 600 CG ASN A 42 -2.826 -9.221 13.464 1.00 0.00 C ATOM 601 OD1 ASN A 42 -4.043 -9.397 13.511 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.976 -9.880 14.243 1.00 0.00 N ATOM 0 H ASN A 42 -3.363 -8.977 10.416 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.061 -7.115 12.492 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.622 -8.757 11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.543 -7.562 13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.325 -10.564 14.914 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.974 -9.702 14.170 1.00 0.00 H new ATOM 609 N LEU A 43 -2.204 -6.160 9.988 1.00 0.00 N ATOM 610 CA LEU A 43 -1.583 -5.005 9.348 1.00 0.00 C ATOM 611 C LEU A 43 -2.641 -4.044 8.816 1.00 0.00 C ATOM 612 O LEU A 43 -2.377 -2.856 8.633 1.00 0.00 O ATOM 613 CB LEU A 43 -0.669 -5.459 8.208 1.00 0.00 C ATOM 614 CG LEU A 43 0.042 -4.347 7.435 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.196 -3.785 8.250 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.535 -4.864 6.092 1.00 0.00 C ATOM 0 H LEU A 43 -2.257 -6.991 9.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.987 -4.482 10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.086 -6.129 8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.262 -6.042 7.503 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.671 -3.543 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.690 -2.995 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.815 -3.377 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.911 -4.579 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.038 -4.060 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.233 -5.686 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.313 -5.217 5.505 1.00 0.00 H new ATOM 628 N GLU A 44 -3.838 -4.566 8.571 1.00 0.00 N ATOM 629 CA GLU A 44 -4.936 -3.753 8.061 1.00 0.00 C ATOM 630 C GLU A 44 -4.891 -2.346 8.651 1.00 0.00 C ATOM 631 O GLU A 44 -4.784 -1.349 7.937 1.00 0.00 O ATOM 632 CB GLU A 44 -6.280 -4.410 8.383 1.00 0.00 C ATOM 633 CG GLU A 44 -7.401 -3.414 8.627 1.00 0.00 C ATOM 634 CD GLU A 44 -7.762 -2.626 7.383 1.00 0.00 C ATOM 635 OE1 GLU A 44 -6.935 -1.802 6.941 1.00 0.00 O ATOM 636 OE2 GLU A 44 -8.874 -2.834 6.852 1.00 0.00 O ATOM 0 H GLU A 44 -4.072 -5.548 8.717 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.826 -3.679 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.561 -5.066 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.165 -5.039 9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.283 -3.946 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.103 -2.724 9.416 1.00 0.00 H new ATOM 643 N PRO A 45 -4.974 -2.263 9.987 1.00 0.00 N ATOM 644 CA PRO A 45 -4.945 -0.985 10.704 1.00 0.00 C ATOM 645 C PRO A 45 -3.573 -0.321 10.650 1.00 0.00 C ATOM 646 O PRO A 45 -3.464 0.880 10.404 1.00 0.00 O ATOM 647 CB PRO A 45 -5.295 -1.376 12.142 1.00 0.00 C ATOM 648 CG PRO A 45 -4.879 -2.802 12.258 1.00 0.00 C ATOM 649 CD PRO A 45 -5.103 -3.410 10.901 1.00 0.00 C ATOM 0 HA PRO A 45 -5.630 -0.257 10.268 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.768 -0.750 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.361 -1.257 12.336 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.833 -2.881 12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.464 -3.319 13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.367 -4.184 10.681 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.086 -3.875 10.826 1.00 0.00 H new ATOM 657 N GLU A 46 -2.530 -1.111 10.882 1.00 0.00 N ATOM 658 CA GLU A 46 -1.165 -0.598 10.861 1.00 0.00 C ATOM 659 C GLU A 46 -0.867 0.101 9.537 1.00 0.00 C ATOM 660 O GLU A 46 -0.047 1.017 9.478 1.00 0.00 O ATOM 661 CB GLU A 46 -0.166 -1.735 11.085 1.00 0.00 C ATOM 662 CG GLU A 46 -0.133 -2.243 12.517 1.00 0.00 C ATOM 663 CD GLU A 46 -1.480 -2.137 13.204 1.00 0.00 C ATOM 664 OE1 GLU A 46 -2.021 -1.014 13.279 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.994 -3.177 13.667 1.00 0.00 O ATOM 0 H GLU A 46 -2.604 -2.108 11.086 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.065 0.129 11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.415 -2.562 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.831 -1.392 10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.193 -3.283 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.605 -1.675 13.083 1.00 0.00 H new ATOM 672 N TRP A 47 -1.540 -0.337 8.479 1.00 0.00 N ATOM 673 CA TRP A 47 -1.347 0.246 7.156 1.00 0.00 C ATOM 674 C TRP A 47 -2.303 1.412 6.931 1.00 0.00 C ATOM 675 O TRP A 47 -1.936 2.421 6.330 1.00 0.00 O ATOM 676 CB TRP A 47 -1.554 -0.815 6.074 1.00 0.00 C ATOM 677 CG TRP A 47 -1.110 -0.369 4.713 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.908 0.055 3.689 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.236 -0.307 4.229 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.139 0.378 2.597 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.179 0.166 2.903 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.483 -0.601 4.786 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.322 0.348 2.129 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.616 -0.420 4.016 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.530 0.051 2.700 1.00 0.00 C ATOM 0 H TRP A 47 -2.224 -1.093 8.511 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.325 0.621 7.097 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.007 -1.717 6.350 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.610 -1.082 6.035 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.985 0.126 3.731 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.492 0.720 1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.560 -0.963 5.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.258 0.711 1.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.585 -0.646 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.434 0.182 2.124 1.00 0.00 H new ATOM 696 N ALA A 48 -3.531 1.267 7.418 1.00 0.00 N ATOM 697 CA ALA A 48 -4.539 2.310 7.272 1.00 0.00 C ATOM 698 C ALA A 48 -4.051 3.631 7.857 1.00 0.00 C ATOM 699 O ALA A 48 -4.203 4.687 7.243 1.00 0.00 O ATOM 700 CB ALA A 48 -5.840 1.885 7.937 1.00 0.00 C ATOM 0 H ALA A 48 -3.852 0.437 7.917 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.720 2.459 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.583 2.674 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.205 0.970 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.665 1.706 8.998 1.00 0.00 H new ATOM 706 N ALA A 49 -3.464 3.565 9.047 1.00 0.00 N ATOM 707 CA ALA A 49 -2.953 4.756 9.714 1.00 0.00 C ATOM 708 C ALA A 49 -1.760 5.337 8.962 1.00 0.00 C ATOM 709 O ALA A 49 -1.734 6.526 8.646 1.00 0.00 O ATOM 710 CB ALA A 49 -2.566 4.432 11.150 1.00 0.00 C ATOM 0 H ALA A 49 -3.330 2.699 9.569 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.745 5.505 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.186 5.331 11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.441 4.070 11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.793 3.663 11.154 1.00 0.00 H new ATOM 716 N ALA A 50 -0.776 4.491 8.679 1.00 0.00 N ATOM 717 CA ALA A 50 0.419 4.921 7.962 1.00 0.00 C ATOM 718 C ALA A 50 0.060 5.839 6.799 1.00 0.00 C ATOM 719 O ALA A 50 0.565 6.957 6.700 1.00 0.00 O ATOM 720 CB ALA A 50 1.198 3.713 7.464 1.00 0.00 C ATOM 0 H ALA A 50 -0.782 3.504 8.935 1.00 0.00 H new ATOM 0 HA ALA A 50 1.046 5.483 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.087 4.048 6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.495 3.096 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.571 3.128 6.792 1.00 0.00 H new ATOM 726 N ALA A 51 -0.813 5.359 5.920 1.00 0.00 N ATOM 727 CA ALA A 51 -1.240 6.137 4.763 1.00 0.00 C ATOM 728 C ALA A 51 -1.606 7.562 5.166 1.00 0.00 C ATOM 729 O ALA A 51 -1.130 8.527 4.568 1.00 0.00 O ATOM 730 CB ALA A 51 -2.417 5.461 4.077 1.00 0.00 C ATOM 0 H ALA A 51 -1.239 4.435 5.987 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.407 6.188 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.725 6.053 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.122 4.465 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.248 5.380 4.777 1.00 0.00 H new ATOM 736 N SER A 52 -2.455 7.686 6.181 1.00 0.00 N ATOM 737 CA SER A 52 -2.888 8.993 6.660 1.00 0.00 C ATOM 738 C SER A 52 -1.724 9.755 7.286 1.00 0.00 C ATOM 739 O SER A 52 -1.614 10.972 7.136 1.00 0.00 O ATOM 740 CB SER A 52 -4.018 8.837 7.679 1.00 0.00 C ATOM 741 OG SER A 52 -4.890 9.954 7.649 1.00 0.00 O ATOM 0 H SER A 52 -2.857 6.897 6.688 1.00 0.00 H new ATOM 0 HA SER A 52 -3.255 9.563 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.580 7.927 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.598 8.727 8.679 1.00 0.00 H new ATOM 0 HG SER A 52 -5.604 9.829 8.308 1.00 0.00 H new ATOM 747 N GLU A 53 -0.859 9.030 7.987 1.00 0.00 N ATOM 748 CA GLU A 53 0.296 9.638 8.637 1.00 0.00 C ATOM 749 C GLU A 53 1.393 9.945 7.621 1.00 0.00 C ATOM 750 O GLU A 53 2.334 10.684 7.911 1.00 0.00 O ATOM 751 CB GLU A 53 0.841 8.714 9.728 1.00 0.00 C ATOM 752 CG GLU A 53 2.222 9.107 10.226 1.00 0.00 C ATOM 753 CD GLU A 53 2.445 8.739 11.679 1.00 0.00 C ATOM 754 OE1 GLU A 53 2.809 7.574 11.947 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.255 9.614 12.550 1.00 0.00 O ATOM 0 H GLU A 53 -0.936 8.022 8.120 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.027 10.574 9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.148 8.711 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.879 7.695 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.978 8.619 9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.356 10.182 10.103 1.00 0.00 H new ATOM 762 N VAL A 54 1.264 9.373 6.429 1.00 0.00 N ATOM 763 CA VAL A 54 2.242 9.585 5.369 1.00 0.00 C ATOM 764 C VAL A 54 1.820 10.727 4.451 1.00 0.00 C ATOM 765 O VAL A 54 2.633 11.574 4.082 1.00 0.00 O ATOM 766 CB VAL A 54 2.442 8.311 4.526 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.340 8.596 3.332 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.018 7.192 5.381 1.00 0.00 C ATOM 0 H VAL A 54 0.491 8.759 6.173 1.00 0.00 H new ATOM 0 HA VAL A 54 3.183 9.842 5.855 1.00 0.00 H new ATOM 0 HB VAL A 54 1.471 7.988 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.470 7.685 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.883 9.364 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.312 8.944 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.153 6.300 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.981 7.503 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.334 6.971 6.200 1.00 0.00 H new ATOM 778 N LYS A 55 0.543 10.744 4.087 1.00 0.00 N ATOM 779 CA LYS A 55 0.009 11.782 3.213 1.00 0.00 C ATOM 780 C LYS A 55 -0.059 13.122 3.940 1.00 0.00 C ATOM 781 O LYS A 55 -0.171 14.173 3.311 1.00 0.00 O ATOM 782 CB LYS A 55 -1.382 11.391 2.711 1.00 0.00 C ATOM 783 CG LYS A 55 -2.499 11.745 3.678 1.00 0.00 C ATOM 784 CD LYS A 55 -3.867 11.563 3.041 1.00 0.00 C ATOM 785 CE LYS A 55 -4.974 12.106 3.932 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.262 12.238 3.197 1.00 0.00 N ATOM 0 H LYS A 55 -0.143 10.050 4.384 1.00 0.00 H new ATOM 0 HA LYS A 55 0.680 11.884 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.568 11.886 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.403 10.318 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.424 11.118 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.384 12.778 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.891 12.072 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.041 10.505 2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.110 11.444 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.679 13.079 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.991 12.611 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.139 12.890 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.557 11.306 2.843 1.00 0.00 H new ATOM 800 N GLU A 56 0.010 13.075 5.267 1.00 0.00 N ATOM 801 CA GLU A 56 -0.043 14.286 6.077 1.00 0.00 C ATOM 802 C GLU A 56 1.345 14.900 6.230 1.00 0.00 C ATOM 803 O GLU A 56 1.488 16.118 6.335 1.00 0.00 O ATOM 804 CB GLU A 56 -0.631 13.978 7.456 1.00 0.00 C ATOM 805 CG GLU A 56 0.411 13.572 8.485 1.00 0.00 C ATOM 806 CD GLU A 56 -0.195 13.282 9.845 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.428 13.097 9.917 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.564 13.240 10.835 1.00 0.00 O ATOM 0 H GLU A 56 0.103 12.212 5.803 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.685 15.005 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.165 14.857 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.364 13.177 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.940 12.687 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.149 14.368 8.582 1.00 0.00 H new ATOM 815 N GLN A 57 2.365 14.047 6.242 1.00 0.00 N ATOM 816 CA GLN A 57 3.742 14.506 6.383 1.00 0.00 C ATOM 817 C GLN A 57 4.372 14.765 5.018 1.00 0.00 C ATOM 818 O GLN A 57 5.124 15.724 4.841 1.00 0.00 O ATOM 819 CB GLN A 57 4.569 13.475 7.152 1.00 0.00 C ATOM 820 CG GLN A 57 4.180 13.353 8.617 1.00 0.00 C ATOM 821 CD GLN A 57 5.113 12.447 9.395 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.794 12.887 10.322 1.00 0.00 O ATOM 823 NE2 GLN A 57 5.149 11.172 9.023 1.00 0.00 N ATOM 0 H GLN A 57 2.264 13.036 6.156 1.00 0.00 H new ATOM 0 HA GLN A 57 3.731 15.442 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.458 12.502 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.623 13.745 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.178 14.343 9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.163 12.968 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.568 10.850 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.758 10.515 9.511 1.00 0.00 H new ATOM 832 N THR A 58 4.061 13.903 4.055 1.00 0.00 N ATOM 833 CA THR A 58 4.598 14.037 2.707 1.00 0.00 C ATOM 834 C THR A 58 3.799 15.050 1.895 1.00 0.00 C ATOM 835 O THR A 58 3.900 15.098 0.669 1.00 0.00 O ATOM 836 CB THR A 58 4.598 12.687 1.965 1.00 0.00 C ATOM 837 OG1 THR A 58 3.255 12.217 1.804 1.00 0.00 O ATOM 838 CG2 THR A 58 5.415 11.653 2.724 1.00 0.00 C ATOM 0 H THR A 58 3.440 13.104 4.184 1.00 0.00 H new ATOM 0 HA THR A 58 5.625 14.387 2.810 1.00 0.00 H new ATOM 0 HB THR A 58 5.050 12.836 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.057 11.549 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.401 10.708 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.444 12.001 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.987 11.508 3.716 1.00 0.00 H new ATOM 846 N LYS A 59 3.004 15.860 2.586 1.00 0.00 N ATOM 847 CA LYS A 59 2.188 16.875 1.930 1.00 0.00 C ATOM 848 C LYS A 59 1.271 16.245 0.886 1.00 0.00 C ATOM 849 O LYS A 59 0.863 16.900 -0.071 1.00 0.00 O ATOM 850 CB LYS A 59 3.080 17.929 1.272 1.00 0.00 C ATOM 851 CG LYS A 59 3.991 18.651 2.249 1.00 0.00 C ATOM 852 CD LYS A 59 3.221 19.653 3.093 1.00 0.00 C ATOM 853 CE LYS A 59 3.057 20.981 2.371 1.00 0.00 C ATOM 854 NZ LYS A 59 2.019 21.836 3.010 1.00 0.00 N ATOM 0 H LYS A 59 2.907 15.833 3.601 1.00 0.00 H new ATOM 0 HA LYS A 59 1.570 17.354 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.690 17.450 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.450 18.661 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.478 17.924 2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.779 19.166 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.239 19.247 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.743 19.813 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.010 21.511 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.787 20.798 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.938 22.732 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.104 21.342 2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.289 22.032 3.995 1.00 0.00 H new ATOM 868 N GLY A 60 0.952 14.969 1.078 1.00 0.00 N ATOM 869 CA GLY A 60 0.085 14.273 0.145 1.00 0.00 C ATOM 870 C GLY A 60 0.830 13.776 -1.078 1.00 0.00 C ATOM 871 O GLY A 60 0.222 13.481 -2.107 1.00 0.00 O ATOM 0 H GLY A 60 1.278 14.405 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.383 13.428 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.717 14.941 -0.169 1.00 0.00 H new ATOM 875 N LYS A 61 2.150 13.685 -0.968 1.00 0.00 N ATOM 876 CA LYS A 61 2.980 13.222 -2.074 1.00 0.00 C ATOM 877 C LYS A 61 3.024 11.698 -2.120 1.00 0.00 C ATOM 878 O LYS A 61 2.509 11.080 -3.053 1.00 0.00 O ATOM 879 CB LYS A 61 4.400 13.779 -1.942 1.00 0.00 C ATOM 880 CG LYS A 61 5.357 13.262 -3.001 1.00 0.00 C ATOM 881 CD LYS A 61 4.953 13.723 -4.391 1.00 0.00 C ATOM 882 CE LYS A 61 5.590 12.862 -5.471 1.00 0.00 C ATOM 883 NZ LYS A 61 7.036 13.170 -5.646 1.00 0.00 N ATOM 0 H LYS A 61 2.669 13.926 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 61 2.539 13.584 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.361 14.867 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.791 13.525 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.367 13.609 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.381 12.173 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.868 13.685 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.249 14.763 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.472 11.810 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.069 13.019 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.372 12.761 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.172 14.201 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.576 12.764 -4.855 1.00 0.00 H new ATOM 897 N VAL A 62 3.640 11.096 -1.108 1.00 0.00 N ATOM 898 CA VAL A 62 3.748 9.644 -1.032 1.00 0.00 C ATOM 899 C VAL A 62 2.408 9.012 -0.671 1.00 0.00 C ATOM 900 O VAL A 62 1.858 9.264 0.401 1.00 0.00 O ATOM 901 CB VAL A 62 4.802 9.213 0.005 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.966 7.701 0.003 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.131 9.902 -0.268 1.00 0.00 C ATOM 0 H VAL A 62 4.072 11.592 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 62 4.057 9.297 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 62 4.458 9.516 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.715 7.415 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.014 7.231 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.287 7.371 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.864 9.586 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.483 9.632 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.999 10.982 -0.210 1.00 0.00 H new ATOM 913 N LYS A 63 1.887 8.188 -1.574 1.00 0.00 N ATOM 914 CA LYS A 63 0.612 7.516 -1.352 1.00 0.00 C ATOM 915 C LYS A 63 0.826 6.056 -0.966 1.00 0.00 C ATOM 916 O LYS A 63 1.866 5.469 -1.269 1.00 0.00 O ATOM 917 CB LYS A 63 -0.257 7.600 -2.609 1.00 0.00 C ATOM 918 CG LYS A 63 -0.529 9.022 -3.067 1.00 0.00 C ATOM 919 CD LYS A 63 -1.230 9.050 -4.415 1.00 0.00 C ATOM 920 CE LYS A 63 -2.742 9.007 -4.257 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.282 10.293 -3.735 1.00 0.00 N ATOM 0 H LYS A 63 2.329 7.969 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 63 0.102 8.019 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.233 7.055 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.207 7.101 -2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.144 9.533 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.411 9.570 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.945 9.952 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.901 8.201 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.202 8.784 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.013 8.197 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.307 10.335 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.101 10.356 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.816 11.087 -4.219 1.00 0.00 H new ATOM 935 N LEU A 64 -0.163 5.475 -0.297 1.00 0.00 N ATOM 936 CA LEU A 64 -0.084 4.082 0.130 1.00 0.00 C ATOM 937 C LEU A 64 -1.290 3.291 -0.366 1.00 0.00 C ATOM 938 O LEU A 64 -2.432 3.611 -0.038 1.00 0.00 O ATOM 939 CB LEU A 64 0.002 4.000 1.655 1.00 0.00 C ATOM 940 CG LEU A 64 1.410 4.038 2.251 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.977 5.447 2.192 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.396 3.526 3.684 1.00 0.00 C ATOM 0 H LEU A 64 -1.030 5.947 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 64 0.816 3.645 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.572 4.826 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.483 3.078 1.977 1.00 0.00 H new ATOM 0 HG LEU A 64 2.052 3.386 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.979 5.454 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.024 5.777 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.335 6.121 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.406 3.560 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.739 4.152 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.033 2.498 3.700 1.00 0.00 H new ATOM 954 N ALA A 65 -1.027 2.256 -1.157 1.00 0.00 N ATOM 955 CA ALA A 65 -2.090 1.416 -1.695 1.00 0.00 C ATOM 956 C ALA A 65 -1.866 -0.049 -1.339 1.00 0.00 C ATOM 957 O ALA A 65 -0.843 -0.406 -0.754 1.00 0.00 O ATOM 958 CB ALA A 65 -2.184 1.586 -3.204 1.00 0.00 C ATOM 0 H ALA A 65 -0.087 1.979 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.031 1.732 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.982 0.953 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.400 2.628 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.238 1.299 -3.662 1.00 0.00 H new ATOM 964 N ALA A 66 -2.828 -0.894 -1.694 1.00 0.00 N ATOM 965 CA ALA A 66 -2.734 -2.321 -1.413 1.00 0.00 C ATOM 966 C ALA A 66 -3.197 -3.148 -2.608 1.00 0.00 C ATOM 967 O ALA A 66 -3.857 -2.635 -3.511 1.00 0.00 O ATOM 968 CB ALA A 66 -3.553 -2.670 -0.178 1.00 0.00 C ATOM 0 H ALA A 66 -3.682 -0.615 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.688 -2.561 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.474 -3.739 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.175 -2.113 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.597 -2.409 -0.348 1.00 0.00 H new ATOM 974 N VAL A 67 -2.845 -4.430 -2.606 1.00 0.00 N ATOM 975 CA VAL A 67 -3.224 -5.328 -3.690 1.00 0.00 C ATOM 976 C VAL A 67 -3.249 -6.777 -3.220 1.00 0.00 C ATOM 977 O VAL A 67 -2.478 -7.170 -2.345 1.00 0.00 O ATOM 978 CB VAL A 67 -2.260 -5.204 -4.885 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.593 -6.239 -5.949 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.307 -3.798 -5.464 1.00 0.00 C ATOM 0 H VAL A 67 -2.298 -4.870 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.225 -5.035 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.246 -5.393 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.902 -6.136 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.503 -7.239 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.613 -6.084 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.620 -3.729 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.320 -3.577 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.015 -3.079 -4.698 1.00 0.00 H new ATOM 990 N ASP A 68 -4.140 -7.569 -3.807 1.00 0.00 N ATOM 991 CA ASP A 68 -4.266 -8.977 -3.449 1.00 0.00 C ATOM 992 C ASP A 68 -3.272 -9.827 -4.234 1.00 0.00 C ATOM 993 O ASP A 68 -3.516 -10.177 -5.389 1.00 0.00 O ATOM 994 CB ASP A 68 -5.691 -9.466 -3.707 1.00 0.00 C ATOM 995 CG ASP A 68 -6.368 -8.710 -4.834 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.656 -8.253 -5.753 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.608 -8.576 -4.797 1.00 0.00 O ATOM 0 H ASP A 68 -4.786 -7.259 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.044 -9.078 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.669 -10.529 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.280 -9.358 -2.796 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.152 -10.156 -3.600 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.122 -10.966 -4.239 1.00 0.00 C ATOM 1004 C ALA A 69 -1.667 -12.334 -4.636 1.00 0.00 C ATOM 1005 O ALA A 69 -1.091 -13.024 -5.478 1.00 0.00 O ATOM 1006 CB ALA A 69 0.077 -11.122 -3.315 1.00 0.00 C ATOM 0 H ALA A 69 -1.934 -9.874 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.803 -10.453 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.838 -11.729 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.489 -10.140 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.236 -11.609 -2.392 1.00 0.00 H new ATOM 1012 N THR A 70 -2.782 -12.722 -4.024 1.00 0.00 N ATOM 1013 CA THR A 70 -3.404 -14.008 -4.313 1.00 0.00 C ATOM 1014 C THR A 70 -4.342 -13.909 -5.510 1.00 0.00 C ATOM 1015 O THR A 70 -4.694 -14.919 -6.121 1.00 0.00 O ATOM 1016 CB THR A 70 -4.193 -14.535 -3.099 1.00 0.00 C ATOM 1017 OG1 THR A 70 -5.115 -15.548 -3.517 1.00 0.00 O ATOM 1018 CG2 THR A 70 -4.950 -13.406 -2.414 1.00 0.00 C ATOM 0 H THR A 70 -3.272 -12.164 -3.325 1.00 0.00 H new ATOM 0 HA THR A 70 -2.598 -14.704 -4.544 1.00 0.00 H new ATOM 0 HB THR A 70 -3.484 -14.960 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.495 -15.990 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.500 -13.802 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.244 -12.649 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.650 -12.957 -3.119 1.00 0.00 H new ATOM 1026 N VAL A 71 -4.743 -12.686 -5.843 1.00 0.00 N ATOM 1027 CA VAL A 71 -5.639 -12.455 -6.970 1.00 0.00 C ATOM 1028 C VAL A 71 -4.891 -11.847 -8.151 1.00 0.00 C ATOM 1029 O VAL A 71 -5.298 -12.000 -9.301 1.00 0.00 O ATOM 1030 CB VAL A 71 -6.803 -11.526 -6.579 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -7.723 -11.294 -7.768 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -7.574 -12.103 -5.402 1.00 0.00 C ATOM 0 H VAL A 71 -4.461 -11.840 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.041 -13.426 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.391 -10.564 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.540 -10.635 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.160 -10.833 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.130 -12.248 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.393 -11.433 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.977 -13.079 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.906 -12.211 -4.548 1.00 0.00 H new ATOM 1042 N ASN A 72 -3.794 -11.157 -7.857 1.00 0.00 N ATOM 1043 CA ASN A 72 -2.988 -10.525 -8.895 1.00 0.00 C ATOM 1044 C ASN A 72 -1.836 -11.432 -9.318 1.00 0.00 C ATOM 1045 O ASN A 72 -0.908 -11.672 -8.546 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.441 -9.184 -8.400 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.391 -8.035 -8.676 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.215 -7.287 -9.638 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.405 -7.890 -7.831 1.00 0.00 N ATOM 0 H ASN A 72 -3.443 -11.021 -6.909 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.627 -10.352 -9.761 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.251 -9.245 -7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.484 -8.985 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.077 -7.135 -7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.512 -8.534 -7.047 1.00 0.00 H new ATOM 1056 N GLN A 73 -1.903 -11.931 -10.548 1.00 0.00 N ATOM 1057 CA GLN A 73 -0.866 -12.811 -11.072 1.00 0.00 C ATOM 1058 C GLN A 73 0.048 -12.062 -12.035 1.00 0.00 C ATOM 1059 O GLN A 73 1.203 -12.439 -12.232 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.497 -14.012 -11.779 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.450 -14.804 -10.900 1.00 0.00 C ATOM 1062 CD GLN A 73 -1.758 -15.925 -10.149 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.415 -16.956 -10.728 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -1.548 -15.728 -8.853 1.00 0.00 N ATOM 0 H GLN A 73 -2.664 -11.741 -11.200 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.267 -13.165 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.035 -13.663 -12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.705 -14.674 -12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.923 -14.131 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.245 -15.222 -11.518 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.849 -14.858 -8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.086 -16.447 -8.296 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.476 -10.997 -12.634 1.00 0.00 N ATOM 1074 CA VAL A 74 0.293 -10.193 -13.577 1.00 0.00 C ATOM 1075 C VAL A 74 1.440 -9.473 -12.876 1.00 0.00 C ATOM 1076 O VAL A 74 2.522 -9.310 -13.441 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.596 -9.154 -14.284 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.236 -8.284 -15.214 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.717 -9.843 -15.047 1.00 0.00 C ATOM 0 H VAL A 74 -1.431 -10.671 -12.483 1.00 0.00 H new ATOM 0 HA VAL A 74 0.699 -10.878 -14.321 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.045 -8.510 -13.527 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.409 -7.556 -15.705 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.000 -7.762 -14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.715 -8.910 -15.967 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.335 -9.093 -15.541 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.291 -10.511 -15.795 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.329 -10.419 -14.353 1.00 0.00 H new ATOM 1089 N LEU A 75 1.196 -9.044 -11.643 1.00 0.00 N ATOM 1090 CA LEU A 75 2.209 -8.340 -10.864 1.00 0.00 C ATOM 1091 C LEU A 75 3.012 -9.315 -10.009 1.00 0.00 C ATOM 1092 O LEU A 75 4.243 -9.308 -10.032 1.00 0.00 O ATOM 1093 CB LEU A 75 1.553 -7.284 -9.973 1.00 0.00 C ATOM 1094 CG LEU A 75 0.415 -6.483 -10.608 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.307 -5.656 -9.555 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.947 -5.589 -11.718 1.00 0.00 C ATOM 0 H LEU A 75 0.306 -9.171 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 75 2.890 -7.848 -11.559 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.169 -7.778 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.323 -6.586 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.298 -7.183 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.113 -5.093 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.722 -6.317 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.396 -4.964 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.124 -5.027 -12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.681 -4.896 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.418 -6.203 -12.485 1.00 0.00 H new ATOM 1108 N ALA A 76 2.308 -10.154 -9.257 1.00 0.00 N ATOM 1109 CA ALA A 76 2.955 -11.138 -8.398 1.00 0.00 C ATOM 1110 C ALA A 76 3.960 -11.975 -9.182 1.00 0.00 C ATOM 1111 O ALA A 76 4.953 -12.447 -8.630 1.00 0.00 O ATOM 1112 CB ALA A 76 1.914 -12.035 -7.745 1.00 0.00 C ATOM 0 H ALA A 76 1.289 -10.172 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 76 3.497 -10.602 -7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.412 -12.765 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.237 -11.428 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.346 -12.555 -8.517 1.00 0.00 H new ATOM 1118 N SER A 77 3.694 -12.155 -10.472 1.00 0.00 N ATOM 1119 CA SER A 77 4.574 -12.939 -11.331 1.00 0.00 C ATOM 1120 C SER A 77 5.722 -12.084 -11.858 1.00 0.00 C ATOM 1121 O SER A 77 6.786 -12.598 -12.202 1.00 0.00 O ATOM 1122 CB SER A 77 3.784 -13.530 -12.501 1.00 0.00 C ATOM 1123 OG SER A 77 4.648 -14.153 -13.436 1.00 0.00 O ATOM 0 H SER A 77 2.877 -11.769 -10.945 1.00 0.00 H new ATOM 0 HA SER A 77 4.993 -13.751 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.063 -14.257 -12.127 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.215 -12.742 -12.995 1.00 0.00 H new ATOM 0 HG SER A 77 4.119 -14.524 -14.173 1.00 0.00 H new ATOM 1129 N ARG A 78 5.498 -10.775 -11.919 1.00 0.00 N ATOM 1130 CA ARG A 78 6.512 -9.848 -12.405 1.00 0.00 C ATOM 1131 C ARG A 78 7.596 -9.628 -11.354 1.00 0.00 C ATOM 1132 O ARG A 78 8.772 -9.474 -11.683 1.00 0.00 O ATOM 1133 CB ARG A 78 5.873 -8.510 -12.782 1.00 0.00 C ATOM 1134 CG ARG A 78 6.748 -7.646 -13.675 1.00 0.00 C ATOM 1135 CD ARG A 78 6.149 -6.263 -13.872 1.00 0.00 C ATOM 1136 NE ARG A 78 7.017 -5.399 -14.668 1.00 0.00 N ATOM 1137 CZ ARG A 78 8.032 -4.709 -14.160 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.306 -4.783 -12.865 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.777 -3.945 -14.949 1.00 0.00 N ATOM 0 H ARG A 78 4.623 -10.333 -11.638 1.00 0.00 H new ATOM 0 HA ARG A 78 6.972 -10.285 -13.291 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.927 -8.699 -13.289 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.642 -7.958 -11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.741 -7.554 -13.234 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.873 -8.131 -14.643 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.180 -6.354 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.972 -5.803 -12.900 1.00 0.00 H new ATOM 0 HE ARG A 78 6.834 -5.321 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.737 -5.371 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.086 -4.252 -12.478 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.570 -3.887 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.556 -3.415 -14.558 1.00 0.00 H new ATOM 1153 N TYR A 79 7.191 -9.613 -10.089 1.00 0.00 N ATOM 1154 CA TYR A 79 8.126 -9.409 -8.989 1.00 0.00 C ATOM 1155 C TYR A 79 8.286 -10.683 -8.166 1.00 0.00 C ATOM 1156 O TYR A 79 9.238 -10.826 -7.399 1.00 0.00 O ATOM 1157 CB TYR A 79 7.649 -8.265 -8.092 1.00 0.00 C ATOM 1158 CG TYR A 79 7.235 -7.028 -8.856 1.00 0.00 C ATOM 1159 CD1 TYR A 79 8.172 -6.071 -9.227 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.908 -6.816 -9.207 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.798 -4.939 -9.925 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.525 -5.688 -9.906 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.474 -4.752 -10.263 1.00 0.00 C ATOM 1164 OH TYR A 79 6.096 -3.626 -10.958 1.00 0.00 O ATOM 0 H TYR A 79 6.221 -9.740 -9.800 1.00 0.00 H new ATOM 0 HA TYR A 79 9.096 -9.149 -9.414 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.806 -8.611 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.447 -8.003 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.210 -6.215 -8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.162 -7.546 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.539 -4.204 -10.205 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.489 -5.539 -10.172 1.00 0.00 H new ATOM 0 HH TYR A 79 5.129 -3.649 -11.117 1.00 0.00 H new ATOM 1174 N GLY A 80 7.346 -11.609 -8.331 1.00 0.00 N ATOM 1175 CA GLY A 80 7.400 -12.861 -7.598 1.00 0.00 C ATOM 1176 C GLY A 80 6.941 -12.711 -6.162 1.00 0.00 C ATOM 1177 O GLY A 80 7.759 -12.669 -5.243 1.00 0.00 O ATOM 0 H GLY A 80 6.548 -11.515 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.776 -13.600 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.421 -13.243 -7.612 1.00 0.00 H new ATOM 1181 N ILE A 81 5.629 -12.629 -5.967 1.00 0.00 N ATOM 1182 CA ILE A 81 5.062 -12.482 -4.632 1.00 0.00 C ATOM 1183 C ILE A 81 4.406 -13.778 -4.169 1.00 0.00 C ATOM 1184 O ILE A 81 3.425 -14.234 -4.757 1.00 0.00 O ATOM 1185 CB ILE A 81 4.023 -11.347 -4.583 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.598 -10.072 -5.204 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.584 -11.092 -3.149 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.602 -9.368 -4.318 1.00 0.00 C ATOM 0 H ILE A 81 4.938 -12.662 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 81 5.887 -12.236 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 81 3.150 -11.649 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.075 -10.322 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.781 -9.387 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.849 -10.287 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.139 -11.998 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.448 -10.808 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.968 -8.473 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.125 -9.086 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.438 -10.036 -4.113 1.00 0.00 H new ATOM 1200 N ARG A 82 4.952 -14.366 -3.110 1.00 0.00 N ATOM 1201 CA ARG A 82 4.419 -15.609 -2.566 1.00 0.00 C ATOM 1202 C ARG A 82 4.155 -15.479 -1.069 1.00 0.00 C ATOM 1203 O ARG A 82 3.306 -16.176 -0.514 1.00 0.00 O ATOM 1204 CB ARG A 82 5.390 -16.762 -2.826 1.00 0.00 C ATOM 1205 CG ARG A 82 6.692 -16.648 -2.050 1.00 0.00 C ATOM 1206 CD ARG A 82 7.344 -18.007 -1.852 1.00 0.00 C ATOM 1207 NE ARG A 82 8.219 -18.030 -0.682 1.00 0.00 N ATOM 1208 CZ ARG A 82 9.209 -18.900 -0.522 1.00 0.00 C ATOM 1209 NH1 ARG A 82 9.450 -19.815 -1.452 1.00 0.00 N ATOM 1210 NH2 ARG A 82 9.961 -18.857 0.570 1.00 0.00 N ATOM 0 H ARG A 82 5.764 -14.001 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 82 3.474 -15.819 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.903 -17.702 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.614 -16.804 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.377 -15.989 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.499 -16.191 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.571 -18.767 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.920 -18.265 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 82 8.061 -17.340 0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.874 -19.851 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.211 -20.482 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.779 -18.155 1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.721 -19.526 0.692 1.00 0.00 H new ATOM 1224 N GLY A 83 4.891 -14.582 -0.419 1.00 0.00 N ATOM 1225 CA GLY A 83 4.723 -14.377 1.008 1.00 0.00 C ATOM 1226 C GLY A 83 4.137 -13.017 1.333 1.00 0.00 C ATOM 1227 O GLY A 83 4.725 -11.986 1.009 1.00 0.00 O ATOM 0 H GLY A 83 5.601 -13.994 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.073 -15.155 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.688 -14.481 1.503 1.00 0.00 H new ATOM 1231 N PHE A 84 2.973 -13.015 1.975 1.00 0.00 N ATOM 1232 CA PHE A 84 2.306 -11.771 2.342 1.00 0.00 C ATOM 1233 C PHE A 84 2.246 -11.613 3.859 1.00 0.00 C ATOM 1234 O PHE A 84 2.300 -12.586 4.612 1.00 0.00 O ATOM 1235 CB PHE A 84 0.892 -11.734 1.758 1.00 0.00 C ATOM 1236 CG PHE A 84 0.729 -12.581 0.528 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.705 -12.590 -0.456 1.00 0.00 C ATOM 1238 CD2 PHE A 84 -0.398 -13.367 0.356 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.557 -13.367 -1.590 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.551 -14.147 -0.775 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.429 -14.147 -1.749 1.00 0.00 C ATOM 0 H PHE A 84 2.473 -13.860 2.252 1.00 0.00 H new ATOM 0 HA PHE A 84 2.883 -10.943 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.185 -12.070 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.634 -10.703 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.591 -11.984 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.167 -13.371 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.323 -13.364 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.435 -14.755 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.313 -14.756 -2.633 1.00 0.00 H new ATOM 1251 N PRO A 85 2.132 -10.358 4.319 1.00 0.00 N ATOM 1252 CA PRO A 85 2.068 -9.193 3.431 1.00 0.00 C ATOM 1253 C PRO A 85 3.396 -8.921 2.733 1.00 0.00 C ATOM 1254 O PRO A 85 4.431 -9.473 3.108 1.00 0.00 O ATOM 1255 CB PRO A 85 1.717 -8.044 4.380 1.00 0.00 C ATOM 1256 CG PRO A 85 2.219 -8.485 5.711 1.00 0.00 C ATOM 1257 CD PRO A 85 2.059 -9.980 5.740 1.00 0.00 C ATOM 0 HA PRO A 85 1.348 -9.334 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.190 -7.113 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.642 -7.863 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.263 -8.202 5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.653 -8.016 6.516 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.846 -10.457 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.109 -10.274 6.186 1.00 0.00 H new ATOM 1265 N THR A 86 3.360 -8.067 1.716 1.00 0.00 N ATOM 1266 CA THR A 86 4.561 -7.722 0.965 1.00 0.00 C ATOM 1267 C THR A 86 4.567 -6.246 0.585 1.00 0.00 C ATOM 1268 O THR A 86 3.833 -5.823 -0.309 1.00 0.00 O ATOM 1269 CB THR A 86 4.686 -8.571 -0.315 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.152 -9.880 -0.088 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.139 -8.678 -0.752 1.00 0.00 C ATOM 0 H THR A 86 2.512 -7.601 1.393 1.00 0.00 H new ATOM 0 HA THR A 86 5.411 -7.930 1.615 1.00 0.00 H new ATOM 0 HB THR A 86 4.120 -8.081 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.870 -10.480 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.203 -9.282 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.533 -7.682 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.723 -9.148 0.039 1.00 0.00 H new ATOM 1279 N ILE A 87 5.400 -5.467 1.267 1.00 0.00 N ATOM 1280 CA ILE A 87 5.502 -4.038 0.999 1.00 0.00 C ATOM 1281 C ILE A 87 6.630 -3.743 0.016 1.00 0.00 C ATOM 1282 O ILE A 87 7.783 -4.107 0.249 1.00 0.00 O ATOM 1283 CB ILE A 87 5.741 -3.238 2.293 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.522 -3.335 3.212 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.051 -1.785 1.967 1.00 0.00 C ATOM 1286 CD1 ILE A 87 4.849 -3.129 4.674 1.00 0.00 C ATOM 0 H ILE A 87 6.014 -5.802 2.009 1.00 0.00 H new ATOM 0 HA ILE A 87 4.552 -3.730 0.562 1.00 0.00 H new ATOM 0 HB ILE A 87 6.599 -3.665 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.786 -2.592 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.059 -4.314 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.218 -1.232 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.946 -1.734 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.211 -1.346 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.937 -3.212 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.562 -3.887 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.284 -2.139 4.814 1.00 0.00 H new ATOM 1298 N LYS A 88 6.290 -3.079 -1.084 1.00 0.00 N ATOM 1299 CA LYS A 88 7.273 -2.730 -2.102 1.00 0.00 C ATOM 1300 C LYS A 88 7.085 -1.291 -2.570 1.00 0.00 C ATOM 1301 O LYS A 88 5.965 -0.861 -2.850 1.00 0.00 O ATOM 1302 CB LYS A 88 7.163 -3.684 -3.294 1.00 0.00 C ATOM 1303 CG LYS A 88 7.356 -5.144 -2.925 1.00 0.00 C ATOM 1304 CD LYS A 88 8.812 -5.562 -3.044 1.00 0.00 C ATOM 1305 CE LYS A 88 8.948 -7.068 -3.210 1.00 0.00 C ATOM 1306 NZ LYS A 88 9.100 -7.759 -1.900 1.00 0.00 N ATOM 0 H LYS A 88 5.340 -2.772 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 88 8.265 -2.822 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.184 -3.562 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.906 -3.406 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.011 -5.311 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.743 -5.768 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.268 -5.058 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.357 -5.242 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.070 -7.457 -3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.811 -7.288 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.665 -8.702 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.110 -7.855 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.630 -7.203 -1.157 1.00 0.00 H new ATOM 1320 N ILE A 89 8.186 -0.552 -2.655 1.00 0.00 N ATOM 1321 CA ILE A 89 8.141 0.838 -3.092 1.00 0.00 C ATOM 1322 C ILE A 89 8.291 0.943 -4.606 1.00 0.00 C ATOM 1323 O ILE A 89 8.958 0.120 -5.233 1.00 0.00 O ATOM 1324 CB ILE A 89 9.244 1.675 -2.419 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.887 1.949 -0.957 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.453 2.980 -3.172 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.218 0.802 -0.028 1.00 0.00 C ATOM 0 H ILE A 89 9.120 -0.893 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 89 7.168 1.230 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 89 10.175 1.109 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.417 2.841 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.821 2.167 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.236 3.560 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.748 2.764 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.525 3.552 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.938 1.067 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.667 -0.087 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.288 0.598 -0.069 1.00 0.00 H new ATOM 1339 N PHE A 90 7.667 1.962 -5.187 1.00 0.00 N ATOM 1340 CA PHE A 90 7.731 2.177 -6.628 1.00 0.00 C ATOM 1341 C PHE A 90 7.917 3.657 -6.950 1.00 0.00 C ATOM 1342 O PHE A 90 7.211 4.512 -6.415 1.00 0.00 O ATOM 1343 CB PHE A 90 6.460 1.653 -7.300 1.00 0.00 C ATOM 1344 CG PHE A 90 6.272 0.170 -7.152 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.793 -0.366 -5.968 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.573 -0.687 -8.198 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.618 -1.730 -5.829 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.400 -2.052 -8.065 1.00 0.00 C ATOM 1349 CZ PHE A 90 5.923 -2.574 -6.879 1.00 0.00 C ATOM 0 H PHE A 90 7.111 2.652 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 90 8.590 1.629 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.596 2.165 -6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.489 1.904 -8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.553 0.290 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.947 -0.284 -9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.243 -2.135 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.638 -2.710 -8.888 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.789 -3.640 -6.773 1.00 0.00 H new ATOM 1359 N GLN A 91 8.873 3.950 -7.826 1.00 0.00 N ATOM 1360 CA GLN A 91 9.153 5.326 -8.218 1.00 0.00 C ATOM 1361 C GLN A 91 9.081 5.486 -9.733 1.00 0.00 C ATOM 1362 O GLN A 91 9.473 4.590 -10.482 1.00 0.00 O ATOM 1363 CB GLN A 91 10.532 5.752 -7.713 1.00 0.00 C ATOM 1364 CG GLN A 91 10.537 6.197 -6.259 1.00 0.00 C ATOM 1365 CD GLN A 91 11.937 6.318 -5.691 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.870 6.721 -6.386 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.092 5.968 -4.419 1.00 0.00 N ATOM 0 H GLN A 91 9.466 3.253 -8.277 1.00 0.00 H new ATOM 0 HA GLN A 91 8.395 5.967 -7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.226 4.920 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.902 6.567 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.031 7.159 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.967 5.484 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.291 5.639 -3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.012 6.028 -3.982 1.00 0.00 H new ATOM 1376 N LYS A 92 8.579 6.632 -10.179 1.00 0.00 N ATOM 1377 CA LYS A 92 8.456 6.910 -11.605 1.00 0.00 C ATOM 1378 C LYS A 92 9.830 7.054 -12.252 1.00 0.00 C ATOM 1379 O LYS A 92 10.508 8.066 -12.074 1.00 0.00 O ATOM 1380 CB LYS A 92 7.640 8.186 -11.828 1.00 0.00 C ATOM 1381 CG LYS A 92 7.217 8.392 -13.272 1.00 0.00 C ATOM 1382 CD LYS A 92 5.943 7.629 -13.595 1.00 0.00 C ATOM 1383 CE LYS A 92 5.909 7.192 -15.051 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.281 8.221 -15.925 1.00 0.00 N ATOM 0 H LYS A 92 8.250 7.384 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 92 7.941 6.070 -12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.751 8.153 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.228 9.045 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.063 9.455 -13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.017 8.064 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.868 6.754 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.078 8.257 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.924 6.995 -15.395 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.356 6.257 -15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.569 8.061 -16.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.246 8.154 -15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.589 9.167 -15.624 1.00 0.00 H new ATOM 1398 N GLY A 93 10.235 6.035 -13.004 1.00 0.00 N ATOM 1399 CA GLY A 93 11.526 6.069 -13.666 1.00 0.00 C ATOM 1400 C GLY A 93 12.571 5.245 -12.942 1.00 0.00 C ATOM 1401 O GLY A 93 13.289 4.459 -13.560 1.00 0.00 O ATOM 0 H GLY A 93 9.692 5.187 -13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.418 5.698 -14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.867 7.102 -13.737 1.00 0.00 H new ATOM 1405 N GLU A 94 12.659 5.425 -11.627 1.00 0.00 N ATOM 1406 CA GLU A 94 13.626 4.692 -10.819 1.00 0.00 C ATOM 1407 C GLU A 94 13.211 3.232 -10.664 1.00 0.00 C ATOM 1408 O GLU A 94 12.082 2.859 -10.982 1.00 0.00 O ATOM 1409 CB GLU A 94 13.769 5.342 -9.441 1.00 0.00 C ATOM 1410 CG GLU A 94 14.511 6.668 -9.468 1.00 0.00 C ATOM 1411 CD GLU A 94 15.258 6.944 -8.177 1.00 0.00 C ATOM 1412 OE1 GLU A 94 16.088 6.100 -7.779 1.00 0.00 O ATOM 1413 OE2 GLU A 94 15.013 8.005 -7.566 1.00 0.00 O ATOM 0 H GLU A 94 12.072 6.072 -11.100 1.00 0.00 H new ATOM 0 HA GLU A 94 14.588 4.726 -11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.777 5.499 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.294 4.655 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.216 6.669 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.801 7.474 -9.652 1.00 0.00 H new ATOM 1420 N SER A 95 14.133 2.410 -10.174 1.00 0.00 N ATOM 1421 CA SER A 95 13.866 0.989 -9.981 1.00 0.00 C ATOM 1422 C SER A 95 13.163 0.745 -8.649 1.00 0.00 C ATOM 1423 O SER A 95 13.450 1.388 -7.639 1.00 0.00 O ATOM 1424 CB SER A 95 15.170 0.191 -10.036 1.00 0.00 C ATOM 1425 OG SER A 95 15.922 0.361 -8.847 1.00 0.00 O ATOM 0 H SER A 95 15.072 2.703 -9.903 1.00 0.00 H new ATOM 0 HA SER A 95 13.210 0.655 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.947 -0.866 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.761 0.513 -10.893 1.00 0.00 H new ATOM 0 HG SER A 95 16.750 -0.160 -8.906 1.00 0.00 H new ATOM 1431 N PRO A 96 12.217 -0.206 -8.646 1.00 0.00 N ATOM 1432 CA PRO A 96 11.453 -0.559 -7.445 1.00 0.00 C ATOM 1433 C PRO A 96 12.308 -1.267 -6.401 1.00 0.00 C ATOM 1434 O PRO A 96 13.275 -1.951 -6.736 1.00 0.00 O ATOM 1435 CB PRO A 96 10.370 -1.500 -7.978 1.00 0.00 C ATOM 1436 CG PRO A 96 10.953 -2.085 -9.218 1.00 0.00 C ATOM 1437 CD PRO A 96 11.822 -1.012 -9.813 1.00 0.00 C ATOM 0 HA PRO A 96 11.060 0.322 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.126 -2.275 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.447 -0.961 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.535 -2.978 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.169 -2.383 -9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.689 -1.433 -10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.279 -0.417 -10.547 1.00 0.00 H new ATOM 1445 N VAL A 97 11.946 -1.099 -5.133 1.00 0.00 N ATOM 1446 CA VAL A 97 12.679 -1.724 -4.039 1.00 0.00 C ATOM 1447 C VAL A 97 11.736 -2.468 -3.099 1.00 0.00 C ATOM 1448 O VAL A 97 10.521 -2.471 -3.297 1.00 0.00 O ATOM 1449 CB VAL A 97 13.477 -0.683 -3.231 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.763 -0.316 -3.955 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.629 0.553 -2.972 1.00 0.00 C ATOM 0 H VAL A 97 11.149 -0.535 -4.838 1.00 0.00 H new ATOM 0 HA VAL A 97 13.373 -2.434 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 97 13.743 -1.121 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.313 0.420 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.376 -1.208 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.523 0.103 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.208 1.278 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.331 0.995 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.740 0.272 -2.407 1.00 0.00 H new ATOM 1461 N ASP A 98 12.304 -3.096 -2.076 1.00 0.00 N ATOM 1462 CA ASP A 98 11.514 -3.842 -1.103 1.00 0.00 C ATOM 1463 C ASP A 98 11.642 -3.227 0.287 1.00 0.00 C ATOM 1464 O ASP A 98 12.745 -2.934 0.749 1.00 0.00 O ATOM 1465 CB ASP A 98 11.958 -5.306 -1.069 1.00 0.00 C ATOM 1466 CG ASP A 98 13.109 -5.540 -0.111 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.256 -5.200 -0.468 1.00 0.00 O ATOM 1468 OD2 ASP A 98 12.864 -6.064 0.995 1.00 0.00 O ATOM 0 H ASP A 98 13.308 -3.104 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 98 10.468 -3.794 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.114 -5.932 -0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.254 -5.616 -2.071 1.00 0.00 H new ATOM 1473 N TYR A 99 10.506 -3.033 0.949 1.00 0.00 N ATOM 1474 CA TYR A 99 10.490 -2.449 2.285 1.00 0.00 C ATOM 1475 C TYR A 99 10.799 -3.503 3.343 1.00 0.00 C ATOM 1476 O TYR A 99 11.894 -3.533 3.905 1.00 0.00 O ATOM 1477 CB TYR A 99 9.131 -1.809 2.568 1.00 0.00 C ATOM 1478 CG TYR A 99 9.048 -1.135 3.919 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.999 -0.201 4.311 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.020 -1.434 4.804 1.00 0.00 C ATOM 1481 CE1 TYR A 99 9.929 0.416 5.544 1.00 0.00 C ATOM 1482 CE2 TYR A 99 7.940 -0.820 6.039 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.897 0.104 6.405 1.00 0.00 C ATOM 1484 OH TYR A 99 8.822 0.716 7.635 1.00 0.00 O ATOM 0 H TYR A 99 9.585 -3.272 0.582 1.00 0.00 H new ATOM 0 HA TYR A 99 11.262 -1.680 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.916 -1.075 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.358 -2.575 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.807 0.047 3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.271 -2.159 4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.678 1.139 5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.133 -1.062 6.714 1.00 0.00 H new ATOM 0 HH TYR A 99 9.299 1.572 7.604 1.00 0.00 H new ATOM 1544 N THR A 104 4.668 -1.786 10.742 1.00 0.00 N ATOM 1545 CA THR A 104 3.971 -0.882 11.648 1.00 0.00 C ATOM 1546 C THR A 104 3.972 0.544 11.110 1.00 0.00 C ATOM 1547 O THR A 104 5.008 1.059 10.692 1.00 0.00 O ATOM 1548 CB THR A 104 4.608 -0.890 13.051 1.00 0.00 C ATOM 1549 OG1 THR A 104 6.019 -1.109 12.946 1.00 0.00 O ATOM 1550 CG2 THR A 104 3.985 -1.970 13.922 1.00 0.00 C ATOM 0 HA THR A 104 2.944 -1.239 11.722 1.00 0.00 H new ATOM 0 HB THR A 104 4.424 0.079 13.515 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.242 -1.370 12.028 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.451 -1.956 14.907 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.916 -1.784 14.023 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.141 -2.945 13.460 1.00 0.00 H new ATOM 1558 N ARG A 105 2.803 1.178 11.124 1.00 0.00 N ATOM 1559 CA ARG A 105 2.670 2.545 10.637 1.00 0.00 C ATOM 1560 C ARG A 105 3.865 3.393 11.063 1.00 0.00 C ATOM 1561 O ARG A 105 4.370 4.205 10.288 1.00 0.00 O ATOM 1562 CB ARG A 105 1.375 3.171 11.159 1.00 0.00 C ATOM 1563 CG ARG A 105 1.507 3.774 12.549 1.00 0.00 C ATOM 1564 CD ARG A 105 0.147 4.106 13.143 1.00 0.00 C ATOM 1565 NE ARG A 105 0.248 4.530 14.537 1.00 0.00 N ATOM 1566 CZ ARG A 105 -0.761 5.060 15.219 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -1.940 5.232 14.638 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.591 5.421 16.484 1.00 0.00 N ATOM 0 H ARG A 105 1.935 0.766 11.467 1.00 0.00 H new ATOM 0 HA ARG A 105 2.638 2.514 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.051 3.946 10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.594 2.411 11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.030 3.075 13.202 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.114 4.678 12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.322 4.896 12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.501 3.232 13.076 1.00 0.00 H new ATOM 0 HE ARG A 105 1.143 4.413 15.013 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.074 4.957 13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.713 5.639 15.164 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.315 5.292 16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.367 5.828 17.007 1.00 0.00 H new ATOM 1582 N SER A 106 4.312 3.199 12.299 1.00 0.00 N ATOM 1583 CA SER A 106 5.445 3.948 12.829 1.00 0.00 C ATOM 1584 C SER A 106 6.655 3.826 11.909 1.00 0.00 C ATOM 1585 O SER A 106 7.306 4.820 11.586 1.00 0.00 O ATOM 1586 CB SER A 106 5.802 3.449 14.231 1.00 0.00 C ATOM 1587 OG SER A 106 4.903 3.961 15.199 1.00 0.00 O ATOM 0 H SER A 106 3.907 2.529 12.953 1.00 0.00 H new ATOM 0 HA SER A 106 5.160 4.998 12.887 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.779 2.359 14.249 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.819 3.751 14.480 1.00 0.00 H new ATOM 0 HG SER A 106 5.152 3.626 16.086 1.00 0.00 H new ATOM 1593 N ASP A 107 6.951 2.600 11.491 1.00 0.00 N ATOM 1594 CA ASP A 107 8.083 2.346 10.607 1.00 0.00 C ATOM 1595 C ASP A 107 7.711 2.626 9.154 1.00 0.00 C ATOM 1596 O ASP A 107 8.415 3.352 8.452 1.00 0.00 O ATOM 1597 CB ASP A 107 8.559 0.900 10.755 1.00 0.00 C ATOM 1598 CG ASP A 107 8.886 0.543 12.192 1.00 0.00 C ATOM 1599 OD1 ASP A 107 9.251 1.456 12.961 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.779 -0.650 12.546 1.00 0.00 O ATOM 0 H ASP A 107 6.423 1.767 11.750 1.00 0.00 H new ATOM 0 HA ASP A 107 8.893 3.018 10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.787 0.226 10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.442 0.746 10.135 1.00 0.00 H new ATOM 1605 N ILE A 108 6.602 2.044 8.710 1.00 0.00 N ATOM 1606 CA ILE A 108 6.138 2.231 7.341 1.00 0.00 C ATOM 1607 C ILE A 108 6.175 3.703 6.944 1.00 0.00 C ATOM 1608 O ILE A 108 6.566 4.046 5.828 1.00 0.00 O ATOM 1609 CB ILE A 108 4.705 1.697 7.155 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.644 0.207 7.497 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.231 1.939 5.730 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.255 -0.275 7.853 1.00 0.00 C ATOM 0 H ILE A 108 6.009 1.439 9.278 1.00 0.00 H new ATOM 0 HA ILE A 108 6.814 1.667 6.699 1.00 0.00 H new ATOM 0 HB ILE A 108 4.042 2.233 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.013 -0.368 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.315 0.007 8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.217 1.556 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.242 3.008 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.894 1.426 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.287 -1.340 8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.891 0.274 8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.584 -0.107 7.010 1.00 0.00 H new ATOM 1624 N VAL A 109 5.768 4.569 7.866 1.00 0.00 N ATOM 1625 CA VAL A 109 5.757 6.005 7.614 1.00 0.00 C ATOM 1626 C VAL A 109 7.175 6.564 7.560 1.00 0.00 C ATOM 1627 O VAL A 109 7.530 7.295 6.636 1.00 0.00 O ATOM 1628 CB VAL A 109 4.960 6.759 8.695 1.00 0.00 C ATOM 1629 CG1 VAL A 109 5.017 8.260 8.451 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.520 6.271 8.732 1.00 0.00 C ATOM 0 H VAL A 109 5.441 4.301 8.794 1.00 0.00 H new ATOM 0 HA VAL A 109 5.274 6.153 6.648 1.00 0.00 H new ATOM 0 HB VAL A 109 5.414 6.555 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.448 8.776 9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.054 8.594 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.589 8.486 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.971 6.814 9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.052 6.443 7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.503 5.205 8.959 1.00 0.00 H new ATOM 1640 N SER A 110 7.981 6.214 8.557 1.00 0.00 N ATOM 1641 CA SER A 110 9.360 6.683 8.626 1.00 0.00 C ATOM 1642 C SER A 110 10.037 6.581 7.263 1.00 0.00 C ATOM 1643 O SER A 110 10.673 7.528 6.801 1.00 0.00 O ATOM 1644 CB SER A 110 10.145 5.875 9.661 1.00 0.00 C ATOM 1645 OG SER A 110 11.295 6.581 10.094 1.00 0.00 O ATOM 0 H SER A 110 7.703 5.607 9.328 1.00 0.00 H new ATOM 0 HA SER A 110 9.347 7.730 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.506 5.655 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.442 4.918 9.231 1.00 0.00 H new ATOM 0 HG SER A 110 11.778 6.044 10.756 1.00 0.00 H new ATOM 1651 N ARG A 111 9.896 5.423 6.625 1.00 0.00 N ATOM 1652 CA ARG A 111 10.495 5.195 5.316 1.00 0.00 C ATOM 1653 C ARG A 111 9.904 6.141 4.275 1.00 0.00 C ATOM 1654 O ARG A 111 10.627 6.893 3.623 1.00 0.00 O ATOM 1655 CB ARG A 111 10.283 3.744 4.881 1.00 0.00 C ATOM 1656 CG ARG A 111 11.304 3.257 3.865 1.00 0.00 C ATOM 1657 CD ARG A 111 12.722 3.607 4.288 1.00 0.00 C ATOM 1658 NE ARG A 111 12.951 3.341 5.705 1.00 0.00 N ATOM 1659 CZ ARG A 111 14.157 3.167 6.234 1.00 0.00 C ATOM 1660 NH1 ARG A 111 15.237 3.231 5.467 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.285 2.928 7.533 1.00 0.00 N ATOM 0 H ARG A 111 9.372 4.629 6.994 1.00 0.00 H new ATOM 0 HA ARG A 111 11.564 5.391 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.322 3.101 5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.284 3.643 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 111 11.215 2.177 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 111 11.093 3.703 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.431 3.032 3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.913 4.660 4.081 1.00 0.00 H new ATOM 0 HE ARG A 111 12.141 3.286 6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 111 15.143 3.414 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 111 16.162 3.097 5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.457 2.878 8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.212 2.795 7.938 1.00 0.00 H new ATOM 1675 N ALA A 112 8.584 6.096 4.125 1.00 0.00 N ATOM 1676 CA ALA A 112 7.895 6.950 3.165 1.00 0.00 C ATOM 1677 C ALA A 112 8.461 8.366 3.185 1.00 0.00 C ATOM 1678 O ALA A 112 8.568 9.018 2.145 1.00 0.00 O ATOM 1679 CB ALA A 112 6.402 6.972 3.454 1.00 0.00 C ATOM 0 H ALA A 112 7.971 5.477 4.656 1.00 0.00 H new ATOM 0 HA ALA A 112 8.054 6.537 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.901 7.614 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.002 5.961 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.232 7.358 4.459 1.00 0.00 H new ATOM 1685 N LEU A 113 8.821 8.837 4.373 1.00 0.00 N ATOM 1686 CA LEU A 113 9.375 10.178 4.529 1.00 0.00 C ATOM 1687 C LEU A 113 10.774 10.262 3.927 1.00 0.00 C ATOM 1688 O LEU A 113 11.125 11.250 3.282 1.00 0.00 O ATOM 1689 CB LEU A 113 9.419 10.564 6.008 1.00 0.00 C ATOM 1690 CG LEU A 113 8.078 10.919 6.650 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.183 10.874 8.166 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.611 12.291 6.186 1.00 0.00 C ATOM 0 H LEU A 113 8.740 8.311 5.243 1.00 0.00 H new ATOM 0 HA LEU A 113 8.728 10.876 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.858 9.737 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.090 11.416 6.121 1.00 0.00 H new ATOM 0 HG LEU A 113 7.340 10.181 6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.219 11.130 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.471 9.871 8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.935 11.589 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.655 12.527 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.349 13.042 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.495 12.288 5.102 1.00 0.00 H new ATOM 1704 N ASP A 114 11.568 9.218 4.141 1.00 0.00 N ATOM 1705 CA ASP A 114 12.928 9.172 3.617 1.00 0.00 C ATOM 1706 C ASP A 114 12.940 9.430 2.113 1.00 0.00 C ATOM 1707 O ASP A 114 13.848 10.079 1.592 1.00 0.00 O ATOM 1708 CB ASP A 114 13.568 7.816 3.919 1.00 0.00 C ATOM 1709 CG ASP A 114 14.301 7.805 5.246 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.479 8.217 5.276 1.00 0.00 O ATOM 1711 OD2 ASP A 114 13.696 7.383 6.255 1.00 0.00 O ATOM 0 H ASP A 114 11.293 8.393 4.674 1.00 0.00 H new ATOM 0 HA ASP A 114 13.506 9.955 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.796 7.047 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 114 14.264 7.560 3.120 1.00 0.00 H new ATOM 1716 N LEU A 115 11.928 8.917 1.422 1.00 0.00 N ATOM 1717 CA LEU A 115 11.822 9.091 -0.022 1.00 0.00 C ATOM 1718 C LEU A 115 11.081 10.380 -0.363 1.00 0.00 C ATOM 1719 O LEU A 115 11.419 11.067 -1.327 1.00 0.00 O ATOM 1720 CB LEU A 115 11.104 7.895 -0.649 1.00 0.00 C ATOM 1721 CG LEU A 115 11.504 6.518 -0.117 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.409 5.500 -0.396 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.821 6.070 -0.733 1.00 0.00 C ATOM 0 H LEU A 115 11.169 8.377 1.838 1.00 0.00 H new ATOM 0 HA LEU A 115 12.831 9.155 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.032 8.022 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.282 7.913 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 115 11.638 6.591 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.711 4.526 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.487 5.814 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.243 5.429 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.090 5.088 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.715 6.013 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.603 6.787 -0.482 1.00 0.00 H new ATOM 1735 N PHE A 116 10.069 10.703 0.436 1.00 0.00 N ATOM 1736 CA PHE A 116 9.280 11.910 0.220 1.00 0.00 C ATOM 1737 C PHE A 116 10.184 13.117 -0.009 1.00 0.00 C ATOM 1738 O PHE A 116 10.136 13.752 -1.063 1.00 0.00 O ATOM 1739 CB PHE A 116 8.362 12.166 1.417 1.00 0.00 C ATOM 1740 CG PHE A 116 7.864 13.580 1.500 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.987 14.076 0.549 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.273 14.414 2.528 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.528 15.378 0.622 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.817 15.716 2.607 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.943 16.198 1.653 1.00 0.00 C ATOM 0 H PHE A 116 9.776 10.146 1.239 1.00 0.00 H new ATOM 0 HA PHE A 116 8.670 11.761 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.508 11.491 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.899 11.924 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.658 13.438 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.957 14.042 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.846 15.753 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.144 16.356 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.584 17.215 1.713 1.00 0.00 H new ATOM 1755 N SER A 117 11.008 13.429 0.986 1.00 0.00 N ATOM 1756 CA SER A 117 11.921 14.562 0.896 1.00 0.00 C ATOM 1757 C SER A 117 12.654 14.565 -0.442 1.00 0.00 C ATOM 1758 O SER A 117 12.824 15.612 -1.067 1.00 0.00 O ATOM 1759 CB SER A 117 12.932 14.523 2.044 1.00 0.00 C ATOM 1760 OG SER A 117 13.412 15.822 2.346 1.00 0.00 O ATOM 0 H SER A 117 11.062 12.913 1.864 1.00 0.00 H new ATOM 0 HA SER A 117 11.333 15.477 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.466 14.090 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.767 13.877 1.775 1.00 0.00 H new ATOM 0 HG SER A 117 14.055 15.770 3.084 1.00 0.00 H new ATOM 1766 N ASP A 118 13.086 13.386 -0.875 1.00 0.00 N ATOM 1767 CA ASP A 118 13.800 13.250 -2.139 1.00 0.00 C ATOM 1768 C ASP A 118 12.919 13.676 -3.309 1.00 0.00 C ATOM 1769 O ASP A 118 13.362 14.397 -4.202 1.00 0.00 O ATOM 1770 CB ASP A 118 14.264 11.806 -2.334 1.00 0.00 C ATOM 1771 CG ASP A 118 15.640 11.556 -1.749 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.639 11.916 -2.406 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.719 10.999 -0.634 1.00 0.00 O ATOM 0 H ASP A 118 12.954 12.510 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 118 14.672 13.903 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.546 11.131 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.277 11.572 -3.399 1.00 0.00 H new ATOM 1778 N ASN A 119 11.669 13.226 -3.297 1.00 0.00 N ATOM 1779 CA ASN A 119 10.725 13.560 -4.358 1.00 0.00 C ATOM 1780 C ASN A 119 9.402 14.047 -3.777 1.00 0.00 C ATOM 1781 O ASN A 119 8.640 13.269 -3.203 1.00 0.00 O ATOM 1782 CB ASN A 119 10.484 12.344 -5.255 1.00 0.00 C ATOM 1783 CG ASN A 119 10.638 11.034 -4.508 1.00 0.00 C ATOM 1784 OD1 ASN A 119 9.906 10.758 -3.557 1.00 0.00 O ATOM 1785 ND2 ASN A 119 11.596 10.218 -4.935 1.00 0.00 N ATOM 0 H ASN A 119 11.286 12.629 -2.564 1.00 0.00 H new ATOM 0 HA ASN A 119 11.157 14.364 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.481 12.402 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 119 11.184 12.367 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.748 9.323 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.180 10.487 -5.727 1.00 0.00 H new