USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= -0.0898 K(o=-0.25,f=-1.6!) USER MOD Set 1.2: A 61 HIS : no HE2:sc= -0.165 X(o=-0.25,f=-0.35) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -153:sc= -0.568 (180deg=-0.9) USER MOD Set 2.2: A 42 ASN : amide:sc= -1.79 K(o=-2.4,f=-4.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 17 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.44) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.192 K(o=0.19,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0609 (180deg=-0.354) USER MOD Single : A 26 CYS SG : rot 7:sc= 0.615 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -31:sc= -0.981 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.847 K(o=-0.85,f=-6.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -24:sc= 0.755 USER MOD Single : A 47 GLN : amide:sc= -0.769 K(o=-0.77,f=-2.8) USER MOD Single : A 49 SER OG : rot 180:sc=-0.00173 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0119) USER MOD Single : A 67 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.7) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 76 TYR OH : rot 65:sc= -2.14! USER MOD Single : A 83 TYR OH : rot 165:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.373 K(o=0.37,f=-3.5!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0637) USER MOD Single : A 92 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.208 -2.431 12.043 1.00 0.00 N ATOM 67 CA LEU A 8 -11.811 -2.683 11.707 1.00 0.00 C ATOM 68 C LEU A 8 -10.888 -2.197 12.820 1.00 0.00 C ATOM 69 O LEU A 8 -10.999 -1.063 13.284 1.00 0.00 O ATOM 70 CB LEU A 8 -11.451 -1.991 10.391 1.00 0.00 C ATOM 71 CG LEU A 8 -10.091 -2.354 9.793 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.062 -3.819 9.385 1.00 0.00 C ATOM 73 CD2 LEU A 8 -9.777 -1.461 8.601 1.00 0.00 C ATOM 0 HA LEU A 8 -11.677 -3.759 11.593 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.222 -2.225 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.480 -0.913 10.551 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.327 -2.194 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.087 -4.060 8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.242 -4.444 10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.836 -4.005 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.806 -1.733 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.545 -1.590 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.756 -0.420 8.922 1.00 0.00 H new ATOM 85 N LYS A 9 -9.973 -3.064 13.242 1.00 0.00 N ATOM 86 CA LYS A 9 -9.026 -2.724 14.298 1.00 0.00 C ATOM 87 C LYS A 9 -7.592 -2.777 13.781 1.00 0.00 C ATOM 88 O LYS A 9 -6.878 -3.755 14.005 1.00 0.00 O ATOM 89 CB LYS A 9 -9.188 -3.678 15.483 1.00 0.00 C ATOM 90 CG LYS A 9 -8.654 -3.120 16.791 1.00 0.00 C ATOM 91 CD LYS A 9 -9.526 -1.990 17.312 1.00 0.00 C ATOM 92 CE LYS A 9 -9.327 -1.775 18.805 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.954 -1.288 19.116 1.00 0.00 N ATOM 0 H LYS A 9 -9.867 -4.007 12.869 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.237 -1.707 14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.245 -3.917 15.604 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.673 -4.612 15.259 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.605 -3.916 17.534 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.636 -2.758 16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.290 -1.070 16.776 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.574 -2.216 17.112 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.059 -1.054 19.169 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.509 -2.710 19.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.858 -1.154 20.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.256 -1.987 18.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.789 -0.383 18.631 1.00 0.00 H new ATOM 107 N ILE A 10 -7.178 -1.721 13.090 1.00 0.00 N ATOM 108 CA ILE A 10 -5.828 -1.648 12.544 1.00 0.00 C ATOM 109 C ILE A 10 -4.800 -2.160 13.548 1.00 0.00 C ATOM 110 O ILE A 10 -4.386 -1.435 14.454 1.00 0.00 O ATOM 111 CB ILE A 10 -5.461 -0.207 12.140 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.400 0.292 11.040 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.013 -0.139 11.680 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.646 0.966 11.569 1.00 0.00 C ATOM 0 H ILE A 10 -7.757 -0.904 12.895 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.812 -2.281 11.657 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.576 0.440 13.010 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.860 0.993 10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.691 -0.550 10.412 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.769 0.885 11.398 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.358 -0.458 12.491 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.873 -0.795 10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.265 1.294 10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.208 0.262 12.182 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.365 1.829 12.173 1.00 0.00 H new ATOM 126 N LEU A 11 -4.391 -3.412 13.380 1.00 0.00 N ATOM 127 CA LEU A 11 -3.409 -4.022 14.270 1.00 0.00 C ATOM 128 C LEU A 11 -1.998 -3.555 13.927 1.00 0.00 C ATOM 129 O LEU A 11 -1.288 -3.012 14.774 1.00 0.00 O ATOM 130 CB LEU A 11 -3.489 -5.547 14.182 1.00 0.00 C ATOM 131 CG LEU A 11 -4.891 -6.151 14.269 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.830 -7.664 14.119 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.556 -5.770 15.584 1.00 0.00 C ATOM 0 H LEU A 11 -4.724 -4.025 12.636 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.637 -3.711 15.289 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.038 -5.861 13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.883 -5.970 14.983 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.490 -5.749 13.452 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.837 -8.077 14.183 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.395 -7.917 13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.214 -8.084 14.914 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.553 -6.209 15.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.958 -6.143 16.416 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.634 -4.685 15.651 1.00 0.00 H new ATOM 145 N THR A 12 -1.598 -3.767 12.677 1.00 0.00 N ATOM 146 CA THR A 12 -0.273 -3.367 12.221 1.00 0.00 C ATOM 147 C THR A 12 -0.356 -2.561 10.930 1.00 0.00 C ATOM 148 O THR A 12 -0.291 -3.102 9.826 1.00 0.00 O ATOM 149 CB THR A 12 0.635 -4.590 11.991 1.00 0.00 C ATOM 150 OG1 THR A 12 0.337 -5.609 12.952 1.00 0.00 O ATOM 151 CG2 THR A 12 2.103 -4.202 12.095 1.00 0.00 C ATOM 0 H THR A 12 -2.173 -4.214 11.963 1.00 0.00 H new ATOM 0 HA THR A 12 0.157 -2.746 13.007 1.00 0.00 H new ATOM 0 HB THR A 12 0.446 -4.971 10.987 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.917 -6.384 12.798 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.725 -5.082 11.929 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.334 -3.447 11.343 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.303 -3.798 13.088 1.00 0.00 H new ATOM 159 N PRO A 13 -0.503 -1.235 11.068 1.00 0.00 N ATOM 160 CA PRO A 13 -0.597 -0.325 9.922 1.00 0.00 C ATOM 161 C PRO A 13 0.725 -0.200 9.171 1.00 0.00 C ATOM 162 O PRO A 13 1.798 -0.365 9.752 1.00 0.00 O ATOM 163 CB PRO A 13 -0.979 1.012 10.561 1.00 0.00 C ATOM 164 CG PRO A 13 -0.467 0.925 11.957 1.00 0.00 C ATOM 165 CD PRO A 13 -0.588 -0.521 12.353 1.00 0.00 C ATOM 0 HA PRO A 13 -1.313 -0.677 9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.530 1.849 10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.058 1.165 10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.569 1.260 12.014 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.046 1.562 12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.210 -0.820 13.032 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.531 -0.721 12.862 1.00 0.00 H new ATOM 173 N LEU A 14 0.640 0.095 7.879 1.00 0.00 N ATOM 174 CA LEU A 14 1.830 0.243 7.048 1.00 0.00 C ATOM 175 C LEU A 14 2.902 1.051 7.773 1.00 0.00 C ATOM 176 O LEU A 14 2.700 2.221 8.099 1.00 0.00 O ATOM 177 CB LEU A 14 1.471 0.922 5.726 1.00 0.00 C ATOM 178 CG LEU A 14 0.364 0.257 4.908 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.384 1.291 4.081 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.942 -0.829 4.012 1.00 0.00 C ATOM 0 H LEU A 14 -0.240 0.237 7.384 1.00 0.00 H new ATOM 0 HA LEU A 14 2.226 -0.751 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.172 1.949 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.369 0.972 5.111 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.342 -0.206 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.168 0.799 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.831 2.032 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.310 1.784 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.140 -1.292 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.670 -0.389 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.431 -1.585 4.626 1.00 0.00 H new ATOM 192 N THR A 15 4.045 0.418 8.022 1.00 0.00 N ATOM 193 CA THR A 15 5.150 1.077 8.707 1.00 0.00 C ATOM 194 C THR A 15 6.071 1.778 7.716 1.00 0.00 C ATOM 195 O THR A 15 6.308 1.281 6.615 1.00 0.00 O ATOM 196 CB THR A 15 5.974 0.075 9.537 1.00 0.00 C ATOM 197 OG1 THR A 15 6.279 -1.080 8.748 1.00 0.00 O ATOM 198 CG2 THR A 15 5.216 -0.344 10.787 1.00 0.00 C ATOM 0 H THR A 15 4.229 -0.550 7.759 1.00 0.00 H new ATOM 0 HA THR A 15 4.711 1.817 9.376 1.00 0.00 H new ATOM 0 HB THR A 15 6.901 0.563 9.840 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.805 -1.712 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.818 -1.052 11.357 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.011 0.534 11.400 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.275 -0.815 10.501 1.00 0.00 H new ATOM 206 N ASP A 16 6.590 2.935 8.113 1.00 0.00 N ATOM 207 CA ASP A 16 7.488 3.704 7.260 1.00 0.00 C ATOM 208 C ASP A 16 8.581 2.813 6.678 1.00 0.00 C ATOM 209 O ASP A 16 9.297 2.134 7.413 1.00 0.00 O ATOM 210 CB ASP A 16 8.116 4.854 8.049 1.00 0.00 C ATOM 211 CG ASP A 16 8.622 4.414 9.409 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.577 3.611 9.455 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.062 4.872 10.427 1.00 0.00 O ATOM 0 H ASP A 16 6.404 3.361 9.021 1.00 0.00 H new ATOM 0 HA ASP A 16 6.903 4.115 6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.942 5.276 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.380 5.647 8.178 1.00 0.00 H new ATOM 218 N GLN A 17 8.701 2.820 5.354 1.00 0.00 N ATOM 219 CA GLN A 17 9.705 2.010 4.675 1.00 0.00 C ATOM 220 C GLN A 17 10.512 2.854 3.694 1.00 0.00 C ATOM 221 O GLN A 17 9.969 3.726 3.014 1.00 0.00 O ATOM 222 CB GLN A 17 9.040 0.847 3.938 1.00 0.00 C ATOM 223 CG GLN A 17 9.926 -0.382 3.815 1.00 0.00 C ATOM 224 CD GLN A 17 10.449 -0.861 5.155 1.00 0.00 C ATOM 225 OE1 GLN A 17 11.658 -0.929 5.375 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.537 -1.197 6.061 1.00 0.00 N ATOM 0 H GLN A 17 8.116 3.377 4.731 1.00 0.00 H new ATOM 0 HA GLN A 17 10.384 1.612 5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.124 0.573 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.751 1.178 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.362 -1.186 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.768 -0.154 3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.545 -1.125 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.829 -1.527 6.981 1.00 0.00 H new ATOM 235 N THR A 18 11.813 2.590 3.624 1.00 0.00 N ATOM 236 CA THR A 18 12.696 3.326 2.727 1.00 0.00 C ATOM 237 C THR A 18 13.512 2.377 1.858 1.00 0.00 C ATOM 238 O THR A 18 14.219 1.507 2.366 1.00 0.00 O ATOM 239 CB THR A 18 13.656 4.241 3.510 1.00 0.00 C ATOM 240 OG1 THR A 18 12.909 5.157 4.320 1.00 0.00 O ATOM 241 CG2 THR A 18 14.559 5.016 2.562 1.00 0.00 C ATOM 0 H THR A 18 12.279 1.871 4.178 1.00 0.00 H new ATOM 0 HA THR A 18 12.059 3.940 2.090 1.00 0.00 H new ATOM 0 HB THR A 18 14.278 3.615 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.527 5.734 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.228 5.655 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.147 4.317 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.949 5.632 1.901 1.00 0.00 H new ATOM 249 N VAL A 19 13.411 2.550 0.544 1.00 0.00 N ATOM 250 CA VAL A 19 14.142 1.709 -0.397 1.00 0.00 C ATOM 251 C VAL A 19 14.838 2.551 -1.460 1.00 0.00 C ATOM 252 O VAL A 19 14.469 3.701 -1.695 1.00 0.00 O ATOM 253 CB VAL A 19 13.209 0.697 -1.088 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.980 -0.549 -1.495 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.044 0.340 -0.177 1.00 0.00 C ATOM 0 H VAL A 19 12.830 3.265 0.107 1.00 0.00 H new ATOM 0 HA VAL A 19 14.891 1.166 0.180 1.00 0.00 H new ATOM 0 HB VAL A 19 12.807 1.157 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.304 -1.252 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.777 -0.274 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.412 -1.015 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.394 -0.376 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.424 -0.101 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.477 1.241 0.059 1.00 0.00 H new ATOM 265 N ASN A 20 15.847 1.970 -2.101 1.00 0.00 N ATOM 266 CA ASN A 20 16.595 2.667 -3.141 1.00 0.00 C ATOM 267 C ASN A 20 15.831 2.655 -4.461 1.00 0.00 C ATOM 268 O ASN A 20 15.153 1.681 -4.790 1.00 0.00 O ATOM 269 CB ASN A 20 17.970 2.022 -3.328 1.00 0.00 C ATOM 270 CG ASN A 20 18.585 1.580 -2.014 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.105 0.643 -1.375 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.652 2.255 -1.604 1.00 0.00 N ATOM 0 H ASN A 20 16.165 1.018 -1.918 1.00 0.00 H new ATOM 0 HA ASN A 20 16.727 3.703 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 20 17.877 1.161 -3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.637 2.731 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.108 2.004 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.016 3.025 -2.166 1.00 0.00 H new ATOM 279 N LEU A 21 15.947 3.743 -5.215 1.00 0.00 N ATOM 280 CA LEU A 21 15.268 3.858 -6.501 1.00 0.00 C ATOM 281 C LEU A 21 15.725 2.762 -7.458 1.00 0.00 C ATOM 282 O LEU A 21 16.917 2.611 -7.720 1.00 0.00 O ATOM 283 CB LEU A 21 15.532 5.233 -7.118 1.00 0.00 C ATOM 284 CG LEU A 21 14.527 5.701 -8.171 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.505 7.219 -8.251 1.00 0.00 C ATOM 286 CD2 LEU A 21 14.857 5.098 -9.528 1.00 0.00 C ATOM 0 H LEU A 21 16.505 4.558 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 21 14.198 3.742 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.557 5.970 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.523 5.221 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 21 13.535 5.359 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.784 7.533 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.219 7.630 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.496 7.583 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.131 5.442 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.857 5.409 -9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.819 4.011 -9.462 1.00 0.00 H new ATOM 298 N GLY A 22 14.767 2.001 -7.979 1.00 0.00 N ATOM 299 CA GLY A 22 15.091 0.930 -8.903 1.00 0.00 C ATOM 300 C GLY A 22 14.812 -0.442 -8.322 1.00 0.00 C ATOM 301 O GLY A 22 14.370 -1.347 -9.030 1.00 0.00 O ATOM 0 H GLY A 22 13.773 2.107 -7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.514 1.057 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.144 0.998 -9.178 1.00 0.00 H new ATOM 305 N LYS A 23 15.072 -0.598 -7.029 1.00 0.00 N ATOM 306 CA LYS A 23 14.847 -1.870 -6.351 1.00 0.00 C ATOM 307 C LYS A 23 13.358 -2.187 -6.270 1.00 0.00 C ATOM 308 O LYS A 23 12.528 -1.453 -6.807 1.00 0.00 O ATOM 309 CB LYS A 23 15.450 -1.835 -4.944 1.00 0.00 C ATOM 310 CG LYS A 23 16.939 -1.538 -4.928 1.00 0.00 C ATOM 311 CD LYS A 23 17.762 -2.800 -5.127 1.00 0.00 C ATOM 312 CE LYS A 23 19.225 -2.477 -5.385 1.00 0.00 C ATOM 313 NZ LYS A 23 19.417 -1.768 -6.681 1.00 0.00 N ATOM 0 H LYS A 23 15.439 0.140 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 23 15.336 -2.654 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.931 -1.080 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.274 -2.795 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.176 -0.820 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.208 -1.073 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.679 -3.433 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.361 -3.369 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.609 -1.860 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.806 -3.399 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.414 -1.834 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.817 -2.207 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.153 -0.768 -6.572 1.00 0.00 H new ATOM 327 N GLU A 24 13.026 -3.283 -5.594 1.00 0.00 N ATOM 328 CA GLU A 24 11.636 -3.695 -5.443 1.00 0.00 C ATOM 329 C GLU A 24 11.072 -3.228 -4.104 1.00 0.00 C ATOM 330 O GLU A 24 11.622 -3.537 -3.046 1.00 0.00 O ATOM 331 CB GLU A 24 11.516 -5.216 -5.556 1.00 0.00 C ATOM 332 CG GLU A 24 10.083 -5.718 -5.520 1.00 0.00 C ATOM 333 CD GLU A 24 9.968 -7.113 -4.935 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.171 -8.090 -5.685 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.675 -7.226 -3.726 1.00 0.00 O ATOM 0 H GLU A 24 13.701 -3.901 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 24 11.058 -3.232 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.982 -5.541 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.074 -5.677 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.476 -5.030 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.676 -5.717 -6.531 1.00 0.00 H new ATOM 342 N ILE A 25 9.974 -2.482 -4.158 1.00 0.00 N ATOM 343 CA ILE A 25 9.336 -1.973 -2.950 1.00 0.00 C ATOM 344 C ILE A 25 8.434 -3.028 -2.319 1.00 0.00 C ATOM 345 O ILE A 25 7.976 -3.951 -2.993 1.00 0.00 O ATOM 346 CB ILE A 25 8.504 -0.710 -3.243 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.421 0.458 -3.611 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.641 -0.355 -2.041 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.715 1.795 -3.640 1.00 0.00 C ATOM 0 H ILE A 25 9.507 -2.216 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 25 10.135 -1.718 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 25 7.849 -0.913 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.241 0.505 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.863 0.268 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.059 0.539 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.966 -1.182 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.279 -0.168 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.426 2.576 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.912 1.767 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.297 2.007 -2.656 1.00 0.00 H new ATOM 361 N CYS A 26 8.182 -2.883 -1.023 1.00 0.00 N ATOM 362 CA CYS A 26 7.333 -3.823 -0.299 1.00 0.00 C ATOM 363 C CYS A 26 6.656 -3.143 0.886 1.00 0.00 C ATOM 364 O CYS A 26 7.275 -2.352 1.599 1.00 0.00 O ATOM 365 CB CYS A 26 8.157 -5.017 0.185 1.00 0.00 C ATOM 366 SG CYS A 26 8.977 -4.753 1.775 1.00 0.00 S ATOM 0 H CYS A 26 8.553 -2.124 -0.452 1.00 0.00 H new ATOM 0 HA CYS A 26 6.560 -4.177 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.504 -5.886 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.911 -5.252 -0.566 1.00 0.00 H new ATOM 0 HG CYS A 26 8.581 -3.625 2.286 1.00 0.00 H new ATOM 372 N LEU A 27 5.380 -3.454 1.089 1.00 0.00 N ATOM 373 CA LEU A 27 4.617 -2.872 2.188 1.00 0.00 C ATOM 374 C LEU A 27 3.562 -3.849 2.696 1.00 0.00 C ATOM 375 O LEU A 27 2.647 -4.229 1.964 1.00 0.00 O ATOM 376 CB LEU A 27 3.949 -1.571 1.737 1.00 0.00 C ATOM 377 CG LEU A 27 4.882 -0.381 1.513 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.226 0.648 0.605 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.272 0.250 2.842 1.00 0.00 C ATOM 0 H LEU A 27 4.853 -4.105 0.508 1.00 0.00 H new ATOM 0 HA LEU A 27 5.307 -2.656 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.411 -1.765 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.206 -1.289 2.483 1.00 0.00 H new ATOM 0 HG LEU A 27 5.788 -0.742 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.905 1.488 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.999 0.191 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.304 1.004 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.936 1.095 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.376 0.596 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.783 -0.489 3.459 1.00 0.00 H new ATOM 391 N LYS A 28 3.693 -4.252 3.955 1.00 0.00 N ATOM 392 CA LYS A 28 2.750 -5.182 4.564 1.00 0.00 C ATOM 393 C LYS A 28 2.001 -4.521 5.716 1.00 0.00 C ATOM 394 O LYS A 28 2.559 -3.696 6.440 1.00 0.00 O ATOM 395 CB LYS A 28 3.483 -6.428 5.066 1.00 0.00 C ATOM 396 CG LYS A 28 2.569 -7.446 5.726 1.00 0.00 C ATOM 397 CD LYS A 28 3.352 -8.421 6.590 1.00 0.00 C ATOM 398 CE LYS A 28 4.027 -9.494 5.748 1.00 0.00 C ATOM 399 NZ LYS A 28 4.489 -10.640 6.578 1.00 0.00 N ATOM 0 H LYS A 28 4.444 -3.948 4.574 1.00 0.00 H new ATOM 0 HA LYS A 28 2.026 -5.476 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.995 -6.901 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.251 -6.126 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.829 -6.930 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.022 -7.996 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.105 -7.879 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.682 -8.890 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.331 -9.852 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.877 -9.061 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.943 -11.349 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.173 -10.303 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.674 -11.069 7.061 1.00 0.00 H new ATOM 413 N CYS A 29 0.735 -4.890 5.882 1.00 0.00 N ATOM 414 CA CYS A 29 -0.090 -4.332 6.948 1.00 0.00 C ATOM 415 C CYS A 29 -1.117 -5.352 7.430 1.00 0.00 C ATOM 416 O CYS A 29 -1.733 -6.053 6.628 1.00 0.00 O ATOM 417 CB CYS A 29 -0.799 -3.067 6.464 1.00 0.00 C ATOM 418 SG CYS A 29 -1.738 -3.286 4.934 1.00 0.00 S ATOM 0 H CYS A 29 0.258 -5.572 5.293 1.00 0.00 H new ATOM 0 HA CYS A 29 0.562 -4.077 7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.475 -2.720 7.246 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.057 -2.283 6.313 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.164 -4.192 4.199 1.00 0.00 H new ATOM 424 N GLU A 30 -1.293 -5.430 8.746 1.00 0.00 N ATOM 425 CA GLU A 30 -2.243 -6.367 9.334 1.00 0.00 C ATOM 426 C GLU A 30 -3.502 -5.642 9.802 1.00 0.00 C ATOM 427 O GLU A 30 -3.463 -4.455 10.128 1.00 0.00 O ATOM 428 CB GLU A 30 -1.602 -7.108 10.509 1.00 0.00 C ATOM 429 CG GLU A 30 -2.441 -8.262 11.031 1.00 0.00 C ATOM 430 CD GLU A 30 -1.601 -9.353 11.666 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.870 -9.054 12.633 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.675 -10.508 11.195 1.00 0.00 O ATOM 0 H GLU A 30 -0.791 -4.856 9.424 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.523 -7.090 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.628 -7.488 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.426 -6.402 11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.155 -7.885 11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.020 -8.686 10.210 1.00 0.00 H new ATOM 439 N ILE A 31 -4.617 -6.365 9.832 1.00 0.00 N ATOM 440 CA ILE A 31 -5.887 -5.792 10.260 1.00 0.00 C ATOM 441 C ILE A 31 -6.774 -6.847 10.912 1.00 0.00 C ATOM 442 O ILE A 31 -6.473 -8.040 10.867 1.00 0.00 O ATOM 443 CB ILE A 31 -6.646 -5.159 9.078 1.00 0.00 C ATOM 444 CG1 ILE A 31 -6.696 -6.130 7.897 1.00 0.00 C ATOM 445 CG2 ILE A 31 -5.989 -3.850 8.667 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.862 -5.889 6.965 1.00 0.00 C ATOM 0 H ILE A 31 -4.666 -7.348 9.565 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.653 -5.016 10.989 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.668 -4.947 9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.767 -6.050 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.751 -7.150 8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.537 -3.415 7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.001 -3.157 9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.958 -4.039 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.833 -6.614 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.796 -5.998 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.798 -4.881 6.555 1.00 0.00 H new ATOM 458 N SER A 32 -7.869 -6.399 11.518 1.00 0.00 N ATOM 459 CA SER A 32 -8.799 -7.304 12.182 1.00 0.00 C ATOM 460 C SER A 32 -10.008 -7.587 11.295 1.00 0.00 C ATOM 461 O SER A 32 -11.152 -7.494 11.740 1.00 0.00 O ATOM 462 CB SER A 32 -9.259 -6.709 13.515 1.00 0.00 C ATOM 463 OG SER A 32 -9.700 -7.724 14.401 1.00 0.00 O ATOM 0 H SER A 32 -8.134 -5.415 11.563 1.00 0.00 H new ATOM 0 HA SER A 32 -8.280 -8.244 12.371 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.439 -6.154 13.972 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.067 -5.998 13.340 1.00 0.00 H new ATOM 0 HG SER A 32 -9.987 -7.319 15.246 1.00 0.00 H new ATOM 469 N GLU A 33 -9.745 -7.933 10.039 1.00 0.00 N ATOM 470 CA GLU A 33 -10.811 -8.228 9.089 1.00 0.00 C ATOM 471 C GLU A 33 -10.269 -8.992 7.884 1.00 0.00 C ATOM 472 O GLU A 33 -9.065 -9.003 7.634 1.00 0.00 O ATOM 473 CB GLU A 33 -11.485 -6.935 8.627 1.00 0.00 C ATOM 474 CG GLU A 33 -12.639 -6.500 9.514 1.00 0.00 C ATOM 475 CD GLU A 33 -13.548 -7.651 9.897 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.116 -8.287 8.985 1.00 0.00 O ATOM 477 OE2 GLU A 33 -13.691 -7.916 11.109 1.00 0.00 O ATOM 0 H GLU A 33 -8.803 -8.016 9.656 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.549 -8.853 9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.741 -6.139 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.851 -7.069 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.243 -6.039 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.222 -5.738 8.997 1.00 0.00 H new ATOM 484 N ASN A 34 -11.169 -9.629 7.141 1.00 0.00 N ATOM 485 CA ASN A 34 -10.782 -10.396 5.963 1.00 0.00 C ATOM 486 C ASN A 34 -11.537 -9.913 4.728 1.00 0.00 C ATOM 487 O ASN A 34 -12.202 -10.696 4.049 1.00 0.00 O ATOM 488 CB ASN A 34 -11.050 -11.885 6.188 1.00 0.00 C ATOM 489 CG ASN A 34 -10.352 -12.418 7.424 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.505 -11.876 8.519 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.581 -13.485 7.255 1.00 0.00 N ATOM 0 H ASN A 34 -12.171 -9.629 7.334 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.715 -10.247 5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.124 -12.048 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.717 -12.447 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.086 -13.888 8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.483 -13.902 6.329 1.00 0.00 H new ATOM 498 N ILE A 35 -11.427 -8.620 4.443 1.00 0.00 N ATOM 499 CA ILE A 35 -12.097 -8.033 3.289 1.00 0.00 C ATOM 500 C ILE A 35 -11.090 -7.425 2.319 1.00 0.00 C ATOM 501 O ILE A 35 -10.010 -6.978 2.706 1.00 0.00 O ATOM 502 CB ILE A 35 -13.104 -6.948 3.714 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.386 -5.819 4.456 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.196 -7.551 4.584 1.00 0.00 C ATOM 505 CD1 ILE A 35 -13.045 -4.468 4.283 1.00 0.00 C ATOM 0 H ILE A 35 -10.880 -7.959 4.995 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.634 -8.841 2.792 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.568 -6.532 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.345 -6.061 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.356 -5.760 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.900 -6.772 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.722 -8.324 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.750 -7.990 5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.483 -3.715 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.062 -4.204 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.066 -4.510 4.663 1.00 0.00 H new ATOM 517 N PRO A 36 -11.450 -7.404 1.027 1.00 0.00 N ATOM 518 CA PRO A 36 -10.593 -6.851 -0.026 1.00 0.00 C ATOM 519 C PRO A 36 -10.470 -5.334 0.065 1.00 0.00 C ATOM 520 O PRO A 36 -11.472 -4.623 0.131 1.00 0.00 O ATOM 521 CB PRO A 36 -11.312 -7.253 -1.316 1.00 0.00 C ATOM 522 CG PRO A 36 -12.739 -7.413 -0.921 1.00 0.00 C ATOM 523 CD PRO A 36 -12.723 -7.920 0.494 1.00 0.00 C ATOM 0 HA PRO A 36 -9.571 -7.224 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.198 -6.491 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.907 -8.180 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.271 -6.464 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.250 -8.114 -1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.576 -7.550 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.762 -9.009 0.531 1.00 0.00 H new ATOM 531 N GLY A 37 -9.234 -4.844 0.068 1.00 0.00 N ATOM 532 CA GLY A 37 -9.004 -3.413 0.151 1.00 0.00 C ATOM 533 C GLY A 37 -8.151 -2.897 -0.991 1.00 0.00 C ATOM 534 O GLY A 37 -7.385 -3.649 -1.594 1.00 0.00 O ATOM 0 H GLY A 37 -8.388 -5.412 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.962 -2.893 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.517 -3.180 1.098 1.00 0.00 H new ATOM 538 N LYS A 38 -8.284 -1.609 -1.291 1.00 0.00 N ATOM 539 CA LYS A 38 -7.520 -0.991 -2.368 1.00 0.00 C ATOM 540 C LYS A 38 -6.637 0.133 -1.834 1.00 0.00 C ATOM 541 O LYS A 38 -6.945 0.744 -0.811 1.00 0.00 O ATOM 542 CB LYS A 38 -8.464 -0.445 -3.442 1.00 0.00 C ATOM 543 CG LYS A 38 -7.815 -0.306 -4.808 1.00 0.00 C ATOM 544 CD LYS A 38 -8.853 -0.266 -5.917 1.00 0.00 C ATOM 545 CE LYS A 38 -9.324 1.155 -6.188 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.265 1.217 -7.341 1.00 0.00 N ATOM 0 H LYS A 38 -8.914 -0.973 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.879 -1.754 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.327 -1.105 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.837 0.529 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.216 0.604 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.135 -1.141 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.431 -0.690 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.706 -0.887 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.813 1.551 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.462 1.791 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.563 2.202 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.790 0.863 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.100 0.630 -7.140 1.00 0.00 H new ATOM 560 N TRP A 39 -5.540 0.400 -2.534 1.00 0.00 N ATOM 561 CA TRP A 39 -4.614 1.452 -2.130 1.00 0.00 C ATOM 562 C TRP A 39 -4.889 2.742 -2.893 1.00 0.00 C ATOM 563 O TRP A 39 -5.564 2.735 -3.924 1.00 0.00 O ATOM 564 CB TRP A 39 -3.170 1.005 -2.364 1.00 0.00 C ATOM 565 CG TRP A 39 -2.838 -0.299 -1.704 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.492 -1.488 -1.861 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.770 -0.546 -0.782 1.00 0.00 C ATOM 568 NE1 TRP A 39 -2.897 -2.458 -1.092 1.00 0.00 N ATOM 569 CE2 TRP A 39 -1.838 -1.906 -0.421 1.00 0.00 C ATOM 570 CE3 TRP A 39 -0.764 0.249 -0.227 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -0.937 -2.485 0.470 1.00 0.00 C ATOM 572 CZ3 TRP A 39 0.129 -0.327 0.656 1.00 0.00 C ATOM 573 CH2 TRP A 39 0.038 -1.683 0.997 1.00 0.00 C ATOM 0 H TRP A 39 -5.270 -0.097 -3.383 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.761 1.643 -1.067 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.994 0.917 -3.436 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.494 1.775 -1.992 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.351 -1.643 -2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.195 -3.431 -1.031 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.686 1.295 -0.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.006 -3.530 0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.911 0.278 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.752 -2.103 1.690 1.00 0.00 H new ATOM 584 N THR A 40 -4.363 3.851 -2.383 1.00 0.00 N ATOM 585 CA THR A 40 -4.553 5.150 -3.016 1.00 0.00 C ATOM 586 C THR A 40 -3.287 5.994 -2.931 1.00 0.00 C ATOM 587 O THR A 40 -2.623 6.034 -1.894 1.00 0.00 O ATOM 588 CB THR A 40 -5.717 5.925 -2.370 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.516 6.023 -0.956 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.046 5.239 -2.652 1.00 0.00 C ATOM 0 H THR A 40 -3.801 3.875 -1.532 1.00 0.00 H new ATOM 0 HA THR A 40 -4.790 4.959 -4.063 1.00 0.00 H new ATOM 0 HB THR A 40 -5.743 6.925 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.942 5.288 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.853 5.804 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.210 5.192 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.028 4.229 -2.244 1.00 0.00 H new ATOM 598 N LYS A 41 -2.956 6.668 -4.027 1.00 0.00 N ATOM 599 CA LYS A 41 -1.769 7.514 -4.076 1.00 0.00 C ATOM 600 C LYS A 41 -2.154 8.989 -4.133 1.00 0.00 C ATOM 601 O LYS A 41 -3.132 9.360 -4.780 1.00 0.00 O ATOM 602 CB LYS A 41 -0.911 7.153 -5.291 1.00 0.00 C ATOM 603 CG LYS A 41 0.185 8.164 -5.583 1.00 0.00 C ATOM 604 CD LYS A 41 1.293 8.101 -4.545 1.00 0.00 C ATOM 605 CE LYS A 41 2.573 8.742 -5.056 1.00 0.00 C ATOM 606 NZ LYS A 41 3.382 9.326 -3.950 1.00 0.00 N ATOM 0 H LYS A 41 -3.493 6.645 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.193 7.342 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.458 6.175 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.554 7.064 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.601 7.975 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.240 9.167 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.970 8.607 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.486 7.061 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.166 7.996 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.326 9.522 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.959 10.109 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.748 9.683 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.005 8.594 -3.552 1.00 0.00 H new ATOM 620 N ASN A 42 -1.378 9.825 -3.452 1.00 0.00 N ATOM 621 CA ASN A 42 -1.638 11.260 -3.425 1.00 0.00 C ATOM 622 C ASN A 42 -3.138 11.541 -3.420 1.00 0.00 C ATOM 623 O ASN A 42 -3.614 12.436 -4.116 1.00 0.00 O ATOM 624 CB ASN A 42 -0.985 11.940 -4.630 1.00 0.00 C ATOM 625 CG ASN A 42 0.491 11.610 -4.750 1.00 0.00 C ATOM 626 OD1 ASN A 42 0.980 11.286 -5.832 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.208 11.692 -3.635 1.00 0.00 N ATOM 0 H ASN A 42 -0.564 9.534 -2.911 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.207 11.665 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.499 11.632 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.107 13.020 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.206 11.482 -3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.761 11.965 -2.760 1.00 0.00 H new ATOM 634 N GLY A 43 -3.876 10.769 -2.629 1.00 0.00 N ATOM 635 CA GLY A 43 -5.314 10.951 -2.547 1.00 0.00 C ATOM 636 C GLY A 43 -6.017 10.602 -3.844 1.00 0.00 C ATOM 637 O GLY A 43 -6.838 11.373 -4.341 1.00 0.00 O ATOM 0 H GLY A 43 -3.504 10.021 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.711 10.330 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.532 11.987 -2.286 1.00 0.00 H new ATOM 641 N LEU A 44 -5.694 9.437 -4.395 1.00 0.00 N ATOM 642 CA LEU A 44 -6.299 8.988 -5.644 1.00 0.00 C ATOM 643 C LEU A 44 -6.230 7.469 -5.767 1.00 0.00 C ATOM 644 O LEU A 44 -5.343 6.817 -5.216 1.00 0.00 O ATOM 645 CB LEU A 44 -5.599 9.640 -6.837 1.00 0.00 C ATOM 646 CG LEU A 44 -4.401 8.881 -7.410 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.863 7.829 -8.406 1.00 0.00 C ATOM 648 CD2 LEU A 44 -3.423 9.845 -8.065 1.00 0.00 C ATOM 0 H LEU A 44 -5.017 8.787 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.347 9.287 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.332 9.776 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.265 10.634 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.889 8.376 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.997 7.299 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.524 7.121 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.399 8.312 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.577 9.288 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.924 10.378 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.067 10.561 -7.324 1.00 0.00 H new ATOM 660 N PRO A 45 -7.185 6.891 -6.510 1.00 0.00 N ATOM 661 CA PRO A 45 -7.253 5.442 -6.726 1.00 0.00 C ATOM 662 C PRO A 45 -6.120 4.935 -7.612 1.00 0.00 C ATOM 663 O PRO A 45 -6.108 5.174 -8.820 1.00 0.00 O ATOM 664 CB PRO A 45 -8.602 5.250 -7.421 1.00 0.00 C ATOM 665 CG PRO A 45 -8.876 6.554 -8.087 1.00 0.00 C ATOM 666 CD PRO A 45 -8.273 7.607 -7.198 1.00 0.00 C ATOM 0 HA PRO A 45 -7.156 4.886 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.561 4.437 -8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.384 5.000 -6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.434 6.584 -9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.947 6.713 -8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.896 8.452 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.003 8.003 -6.492 1.00 0.00 H new ATOM 674 N VAL A 46 -5.169 4.233 -7.004 1.00 0.00 N ATOM 675 CA VAL A 46 -4.032 3.690 -7.739 1.00 0.00 C ATOM 676 C VAL A 46 -4.488 2.694 -8.799 1.00 0.00 C ATOM 677 O VAL A 46 -5.222 1.752 -8.504 1.00 0.00 O ATOM 678 CB VAL A 46 -3.033 2.996 -6.794 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.828 2.487 -7.570 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.602 3.944 -5.685 1.00 0.00 C ATOM 0 H VAL A 46 -5.163 4.027 -6.005 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.537 4.531 -8.224 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.528 2.139 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.134 2.000 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.156 1.771 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.329 3.324 -8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.896 3.437 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.125 4.822 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.475 4.254 -5.111 1.00 0.00 H new ATOM 690 N GLN A 47 -4.047 2.910 -10.034 1.00 0.00 N ATOM 691 CA GLN A 47 -4.410 2.031 -11.139 1.00 0.00 C ATOM 692 C GLN A 47 -3.390 0.909 -11.300 1.00 0.00 C ATOM 693 O GLN A 47 -2.442 1.025 -12.076 1.00 0.00 O ATOM 694 CB GLN A 47 -4.516 2.829 -12.440 1.00 0.00 C ATOM 695 CG GLN A 47 -3.554 4.004 -12.513 1.00 0.00 C ATOM 696 CD GLN A 47 -4.118 5.260 -11.877 1.00 0.00 C ATOM 697 OE1 GLN A 47 -3.600 5.746 -10.871 1.00 0.00 O ATOM 698 NE2 GLN A 47 -5.184 5.793 -12.461 1.00 0.00 N ATOM 0 H GLN A 47 -3.438 3.686 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.379 1.587 -10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.327 2.163 -13.282 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.536 3.198 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.622 3.737 -12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.312 4.207 -13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.581 5.357 -13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.606 6.639 -12.077 1.00 0.00 H new ATOM 707 N GLU A 48 -3.592 -0.178 -10.560 1.00 0.00 N ATOM 708 CA GLU A 48 -2.688 -1.320 -10.620 1.00 0.00 C ATOM 709 C GLU A 48 -2.277 -1.614 -12.060 1.00 0.00 C ATOM 710 O GLU A 48 -2.979 -1.250 -13.004 1.00 0.00 O ATOM 711 CB GLU A 48 -3.351 -2.555 -10.006 1.00 0.00 C ATOM 712 CG GLU A 48 -3.414 -2.521 -8.488 1.00 0.00 C ATOM 713 CD GLU A 48 -4.600 -1.731 -7.971 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.714 -2.293 -7.928 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.414 -0.551 -7.610 1.00 0.00 O ATOM 0 H GLU A 48 -4.373 -0.291 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.793 -1.073 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.363 -2.648 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.803 -3.444 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.468 -3.541 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.494 -2.084 -8.100 1.00 0.00 H new ATOM 722 N SER A 49 -1.133 -2.273 -12.220 1.00 0.00 N ATOM 723 CA SER A 49 -0.625 -2.611 -13.544 1.00 0.00 C ATOM 724 C SER A 49 0.392 -3.745 -13.462 1.00 0.00 C ATOM 725 O SER A 49 0.853 -4.103 -12.378 1.00 0.00 O ATOM 726 CB SER A 49 0.014 -1.384 -14.198 1.00 0.00 C ATOM 727 OG SER A 49 0.206 -1.588 -15.587 1.00 0.00 O ATOM 0 H SER A 49 -0.541 -2.583 -11.449 1.00 0.00 H new ATOM 0 HA SER A 49 -1.465 -2.942 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.620 -0.512 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.972 -1.172 -13.723 1.00 0.00 H new ATOM 0 HG SER A 49 0.614 -0.789 -15.982 1.00 0.00 H new ATOM 733 N ASP A 50 0.738 -4.305 -14.616 1.00 0.00 N ATOM 734 CA ASP A 50 1.702 -5.398 -14.676 1.00 0.00 C ATOM 735 C ASP A 50 2.812 -5.202 -13.649 1.00 0.00 C ATOM 736 O ASP A 50 3.208 -6.142 -12.961 1.00 0.00 O ATOM 737 CB ASP A 50 2.301 -5.501 -16.080 1.00 0.00 C ATOM 738 CG ASP A 50 3.693 -6.102 -16.073 1.00 0.00 C ATOM 739 OD1 ASP A 50 3.823 -7.292 -15.718 1.00 0.00 O ATOM 740 OD2 ASP A 50 4.652 -5.382 -16.421 1.00 0.00 O ATOM 0 H ASP A 50 0.366 -4.020 -15.522 1.00 0.00 H new ATOM 0 HA ASP A 50 1.178 -6.325 -14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.649 -6.110 -16.706 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.339 -4.509 -16.529 1.00 0.00 H new ATOM 745 N ARG A 51 3.310 -3.973 -13.552 1.00 0.00 N ATOM 746 CA ARG A 51 4.376 -3.654 -12.610 1.00 0.00 C ATOM 747 C ARG A 51 3.843 -3.602 -11.182 1.00 0.00 C ATOM 748 O ARG A 51 4.304 -4.338 -10.308 1.00 0.00 O ATOM 749 CB ARG A 51 5.022 -2.315 -12.973 1.00 0.00 C ATOM 750 CG ARG A 51 5.532 -2.253 -14.404 1.00 0.00 C ATOM 751 CD ARG A 51 5.978 -0.848 -14.776 1.00 0.00 C ATOM 752 NE ARG A 51 7.293 -0.528 -14.227 1.00 0.00 N ATOM 753 CZ ARG A 51 7.485 -0.074 -12.994 1.00 0.00 C ATOM 754 NH1 ARG A 51 6.451 0.112 -12.184 1.00 0.00 N ATOM 755 NH2 ARG A 51 8.712 0.195 -12.567 1.00 0.00 N ATOM 0 H ARG A 51 2.992 -3.183 -14.114 1.00 0.00 H new ATOM 0 HA ARG A 51 5.127 -4.441 -12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.295 -1.517 -12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.852 -2.125 -12.292 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.366 -2.944 -14.524 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.747 -2.579 -15.086 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.005 -0.752 -15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.247 -0.127 -14.410 1.00 0.00 H new ATOM 0 HE ARG A 51 8.109 -0.661 -14.824 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.506 -0.094 -12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.601 0.461 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.510 0.053 -13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.857 0.544 -11.620 1.00 0.00 H new ATOM 769 N LEU A 52 2.869 -2.729 -10.951 1.00 0.00 N ATOM 770 CA LEU A 52 2.272 -2.580 -9.628 1.00 0.00 C ATOM 771 C LEU A 52 1.434 -3.803 -9.268 1.00 0.00 C ATOM 772 O LEU A 52 0.319 -3.971 -9.762 1.00 0.00 O ATOM 773 CB LEU A 52 1.406 -1.320 -9.576 1.00 0.00 C ATOM 774 CG LEU A 52 1.259 -0.663 -8.203 1.00 0.00 C ATOM 775 CD1 LEU A 52 0.757 0.765 -8.346 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.321 -1.474 -7.321 1.00 0.00 C ATOM 0 H LEU A 52 2.476 -2.113 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 52 3.079 -2.488 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.825 -0.586 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.412 -1.571 -9.945 1.00 0.00 H new ATOM 0 HG LEU A 52 2.240 -0.636 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.658 1.217 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.466 1.342 -8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.214 0.762 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.228 -0.991 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.660 -1.533 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.722 -2.479 -7.191 1.00 0.00 H new ATOM 788 N LYS A 53 1.977 -4.653 -8.404 1.00 0.00 N ATOM 789 CA LYS A 53 1.279 -5.859 -7.974 1.00 0.00 C ATOM 790 C LYS A 53 0.811 -5.730 -6.528 1.00 0.00 C ATOM 791 O LYS A 53 1.583 -5.352 -5.646 1.00 0.00 O ATOM 792 CB LYS A 53 2.190 -7.080 -8.120 1.00 0.00 C ATOM 793 CG LYS A 53 1.434 -8.390 -8.252 1.00 0.00 C ATOM 794 CD LYS A 53 2.291 -9.465 -8.900 1.00 0.00 C ATOM 795 CE LYS A 53 1.462 -10.681 -9.286 1.00 0.00 C ATOM 796 NZ LYS A 53 2.313 -11.795 -9.790 1.00 0.00 N ATOM 0 H LYS A 53 2.900 -4.529 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 53 0.404 -5.989 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.825 -6.947 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.850 -7.136 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.111 -8.726 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.534 -8.233 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.778 -9.059 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.081 -9.766 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.892 -11.022 -8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.740 -10.400 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.711 -12.605 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.838 -11.478 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.985 -12.081 -9.050 1.00 0.00 H new ATOM 810 N VAL A 54 -0.457 -6.049 -6.291 1.00 0.00 N ATOM 811 CA VAL A 54 -1.027 -5.972 -4.951 1.00 0.00 C ATOM 812 C VAL A 54 -1.488 -7.343 -4.470 1.00 0.00 C ATOM 813 O VAL A 54 -2.602 -7.775 -4.767 1.00 0.00 O ATOM 814 CB VAL A 54 -2.218 -4.996 -4.902 1.00 0.00 C ATOM 815 CG1 VAL A 54 -2.645 -4.745 -3.464 1.00 0.00 C ATOM 816 CG2 VAL A 54 -1.864 -3.690 -5.598 1.00 0.00 C ATOM 0 H VAL A 54 -1.109 -6.363 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.239 -5.605 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.058 -5.447 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.487 -4.053 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.941 -5.687 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.813 -4.314 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.716 -3.012 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.010 -3.232 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.612 -3.889 -6.640 1.00 0.00 H new ATOM 826 N VAL A 55 -0.624 -8.024 -3.724 1.00 0.00 N ATOM 827 CA VAL A 55 -0.942 -9.347 -3.200 1.00 0.00 C ATOM 828 C VAL A 55 -1.592 -9.251 -1.824 1.00 0.00 C ATOM 829 O VAL A 55 -1.186 -8.441 -0.991 1.00 0.00 O ATOM 830 CB VAL A 55 0.316 -10.229 -3.100 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.051 -11.635 -2.649 1.00 0.00 C ATOM 832 CG2 VAL A 55 1.049 -10.263 -4.433 1.00 0.00 C ATOM 0 H VAL A 55 0.302 -7.681 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.642 -9.804 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 55 0.983 -9.797 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.851 -12.243 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.529 -11.590 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.738 -12.080 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.936 -10.891 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.391 -10.671 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.347 -9.252 -4.710 1.00 0.00 H new ATOM 842 N GLN A 56 -2.603 -10.083 -1.593 1.00 0.00 N ATOM 843 CA GLN A 56 -3.309 -10.091 -0.318 1.00 0.00 C ATOM 844 C GLN A 56 -3.307 -11.487 0.297 1.00 0.00 C ATOM 845 O GLN A 56 -3.613 -12.473 -0.374 1.00 0.00 O ATOM 846 CB GLN A 56 -4.747 -9.605 -0.504 1.00 0.00 C ATOM 847 CG GLN A 56 -5.591 -9.704 0.757 1.00 0.00 C ATOM 848 CD GLN A 56 -7.073 -9.543 0.481 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.511 -9.587 -0.669 1.00 0.00 O ATOM 850 NE2 GLN A 56 -7.855 -9.355 1.538 1.00 0.00 N ATOM 0 H GLN A 56 -2.951 -10.760 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.789 -9.414 0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.731 -8.568 -0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.220 -10.188 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.416 -10.670 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.272 -8.939 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.450 -9.325 2.474 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.861 -9.240 1.414 1.00 0.00 H new ATOM 859 N LYS A 57 -2.959 -11.564 1.577 1.00 0.00 N ATOM 860 CA LYS A 57 -2.918 -12.839 2.283 1.00 0.00 C ATOM 861 C LYS A 57 -3.665 -12.750 3.610 1.00 0.00 C ATOM 862 O LYS A 57 -3.238 -12.052 4.529 1.00 0.00 O ATOM 863 CB LYS A 57 -1.468 -13.262 2.530 1.00 0.00 C ATOM 864 CG LYS A 57 -0.836 -13.982 1.351 1.00 0.00 C ATOM 865 CD LYS A 57 0.625 -14.306 1.614 1.00 0.00 C ATOM 866 CE LYS A 57 1.271 -14.982 0.414 1.00 0.00 C ATOM 867 NZ LYS A 57 2.664 -15.421 0.708 1.00 0.00 N ATOM 0 H LYS A 57 -2.701 -10.758 2.147 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.408 -13.587 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.875 -12.378 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.432 -13.912 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.383 -14.903 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.917 -13.362 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.165 -13.389 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.703 -14.956 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.673 -15.844 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.278 -14.293 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.069 -15.877 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.241 -14.595 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.655 -16.098 1.498 1.00 0.00 H new ATOM 881 N GLY A 58 -4.783 -13.463 3.703 1.00 0.00 N ATOM 882 CA GLY A 58 -5.571 -13.452 4.922 1.00 0.00 C ATOM 883 C GLY A 58 -5.890 -12.047 5.393 1.00 0.00 C ATOM 884 O GLY A 58 -6.344 -11.211 4.612 1.00 0.00 O ATOM 0 H GLY A 58 -5.157 -14.048 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.501 -13.996 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.029 -13.981 5.706 1.00 0.00 H new ATOM 888 N ARG A 59 -5.652 -11.786 6.675 1.00 0.00 N ATOM 889 CA ARG A 59 -5.920 -10.473 7.249 1.00 0.00 C ATOM 890 C ARG A 59 -4.750 -9.524 7.006 1.00 0.00 C ATOM 891 O ARG A 59 -4.734 -8.401 7.510 1.00 0.00 O ATOM 892 CB ARG A 59 -6.187 -10.595 8.751 1.00 0.00 C ATOM 893 CG ARG A 59 -7.493 -11.298 9.082 1.00 0.00 C ATOM 894 CD ARG A 59 -7.421 -12.004 10.427 1.00 0.00 C ATOM 895 NE ARG A 59 -8.572 -12.875 10.650 1.00 0.00 N ATOM 896 CZ ARG A 59 -8.931 -13.325 11.847 1.00 0.00 C ATOM 897 NH1 ARG A 59 -8.234 -12.987 12.923 1.00 0.00 N ATOM 898 NH2 ARG A 59 -9.991 -14.114 11.970 1.00 0.00 N ATOM 0 H ARG A 59 -5.274 -12.466 7.335 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.805 -10.064 6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.364 -11.139 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.199 -9.598 9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.305 -10.571 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.725 -12.023 8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.505 -12.593 10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.368 -11.262 11.224 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.130 -13.153 9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.419 -12.380 12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.512 -13.334 13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.531 -14.375 11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.266 -14.459 12.890 1.00 0.00 H new ATOM 912 N ILE A 60 -3.773 -9.984 6.231 1.00 0.00 N ATOM 913 CA ILE A 60 -2.600 -9.177 5.920 1.00 0.00 C ATOM 914 C ILE A 60 -2.589 -8.765 4.452 1.00 0.00 C ATOM 915 O ILE A 60 -2.869 -9.574 3.567 1.00 0.00 O ATOM 916 CB ILE A 60 -1.296 -9.931 6.240 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.246 -10.302 7.724 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.089 -9.088 5.858 1.00 0.00 C ATOM 919 CD1 ILE A 60 -2.049 -11.537 8.065 1.00 0.00 C ATOM 0 H ILE A 60 -3.771 -10.912 5.807 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.657 -8.285 6.545 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.272 -10.850 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.208 -10.461 8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.617 -9.463 8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.825 -9.635 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.120 -8.871 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.105 -8.154 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.968 -11.740 9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.095 -11.374 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.664 -12.388 7.503 1.00 0.00 H new ATOM 931 N HIS A 61 -2.263 -7.501 4.200 1.00 0.00 N ATOM 932 CA HIS A 61 -2.213 -6.981 2.838 1.00 0.00 C ATOM 933 C HIS A 61 -0.796 -6.551 2.472 1.00 0.00 C ATOM 934 O HIS A 61 -0.208 -5.691 3.129 1.00 0.00 O ATOM 935 CB HIS A 61 -3.173 -5.801 2.684 1.00 0.00 C ATOM 936 CG HIS A 61 -4.611 -6.167 2.890 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.547 -6.135 1.878 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.270 -6.577 3.998 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.721 -6.507 2.356 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.580 -6.781 3.640 1.00 0.00 N ATOM 0 H HIS A 61 -2.030 -6.818 4.921 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.518 -7.778 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.899 -5.025 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.054 -5.374 1.688 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.362 -5.866 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.845 -6.718 4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.640 -6.575 1.792 1.00 0.00 H new ATOM 949 N LYS A 62 -0.252 -7.155 1.421 1.00 0.00 N ATOM 950 CA LYS A 62 1.096 -6.835 0.967 1.00 0.00 C ATOM 951 C LYS A 62 1.063 -6.156 -0.398 1.00 0.00 C ATOM 952 O LYS A 62 0.295 -6.546 -1.279 1.00 0.00 O ATOM 953 CB LYS A 62 1.948 -8.105 0.897 1.00 0.00 C ATOM 954 CG LYS A 62 3.420 -7.836 0.637 1.00 0.00 C ATOM 955 CD LYS A 62 4.300 -8.907 1.258 1.00 0.00 C ATOM 956 CE LYS A 62 3.814 -10.304 0.904 1.00 0.00 C ATOM 957 NZ LYS A 62 3.872 -10.556 -0.563 1.00 0.00 N ATOM 0 H LYS A 62 -0.725 -7.869 0.867 1.00 0.00 H new ATOM 0 HA LYS A 62 1.541 -6.146 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.847 -8.652 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.560 -8.750 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.599 -7.794 -0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.690 -6.861 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.327 -8.780 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.310 -8.788 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.423 -11.043 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.790 -10.432 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.614 -11.545 -0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.206 -9.923 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.836 -10.377 -0.908 1.00 0.00 H new ATOM 971 N LEU A 63 1.901 -5.140 -0.569 1.00 0.00 N ATOM 972 CA LEU A 63 1.970 -4.407 -1.829 1.00 0.00 C ATOM 973 C LEU A 63 3.418 -4.139 -2.225 1.00 0.00 C ATOM 974 O LEU A 63 4.080 -3.275 -1.650 1.00 0.00 O ATOM 975 CB LEU A 63 1.207 -3.086 -1.715 1.00 0.00 C ATOM 976 CG LEU A 63 1.185 -2.214 -2.971 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.029 -1.298 -2.963 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.468 -1.403 -3.079 1.00 0.00 C ATOM 0 H LEU A 63 2.543 -4.804 0.149 1.00 0.00 H new ATOM 0 HA LEU A 63 1.509 -5.020 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.178 -3.307 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.644 -2.506 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 63 1.117 -2.865 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.028 -0.685 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.938 -1.899 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.008 -0.653 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.435 -0.788 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.567 -0.761 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.322 -2.078 -3.132 1.00 0.00 H new ATOM 990 N VAL A 64 3.904 -4.885 -3.212 1.00 0.00 N ATOM 991 CA VAL A 64 5.273 -4.725 -3.688 1.00 0.00 C ATOM 992 C VAL A 64 5.300 -4.177 -5.111 1.00 0.00 C ATOM 993 O VAL A 64 4.583 -4.661 -5.987 1.00 0.00 O ATOM 994 CB VAL A 64 6.040 -6.060 -3.650 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.756 -6.802 -2.352 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.677 -6.917 -4.853 1.00 0.00 C ATOM 0 H VAL A 64 3.370 -5.606 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 64 5.760 -4.015 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 64 7.108 -5.847 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.306 -7.743 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.070 -6.190 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.688 -7.006 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.228 -7.856 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.607 -7.123 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.936 -6.386 -5.769 1.00 0.00 H new ATOM 1006 N ILE A 65 6.132 -3.165 -5.333 1.00 0.00 N ATOM 1007 CA ILE A 65 6.253 -2.552 -6.650 1.00 0.00 C ATOM 1008 C ILE A 65 7.443 -3.123 -7.414 1.00 0.00 C ATOM 1009 O ILE A 65 8.394 -3.627 -6.817 1.00 0.00 O ATOM 1010 CB ILE A 65 6.409 -1.023 -6.547 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.277 -0.429 -5.708 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.432 -0.399 -7.934 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.296 1.083 -5.652 1.00 0.00 C ATOM 0 H ILE A 65 6.732 -2.753 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 65 5.334 -2.779 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 65 7.356 -0.801 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.322 -0.757 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.342 -0.823 -4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.543 0.682 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.270 -0.804 -8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.500 -0.627 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.465 1.435 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.236 1.419 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.200 1.486 -6.660 1.00 0.00 H new ATOM 1025 N ALA A 66 7.383 -3.039 -8.739 1.00 0.00 N ATOM 1026 CA ALA A 66 8.457 -3.544 -9.586 1.00 0.00 C ATOM 1027 C ALA A 66 9.745 -2.757 -9.366 1.00 0.00 C ATOM 1028 O ALA A 66 10.725 -3.286 -8.844 1.00 0.00 O ATOM 1029 CB ALA A 66 8.046 -3.489 -11.050 1.00 0.00 C ATOM 0 H ALA A 66 6.602 -2.626 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 66 8.645 -4.582 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.858 -3.869 -11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.157 -4.101 -11.201 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.829 -2.458 -11.328 1.00 0.00 H new ATOM 1035 N ASN A 67 9.735 -1.491 -9.769 1.00 0.00 N ATOM 1036 CA ASN A 67 10.904 -0.631 -9.617 1.00 0.00 C ATOM 1037 C ASN A 67 10.534 0.671 -8.914 1.00 0.00 C ATOM 1038 O ASN A 67 9.763 1.474 -9.439 1.00 0.00 O ATOM 1039 CB ASN A 67 11.521 -0.328 -10.984 1.00 0.00 C ATOM 1040 CG ASN A 67 11.735 -1.581 -11.812 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.783 -2.279 -12.160 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.991 -1.871 -12.132 1.00 0.00 N ATOM 0 H ASN A 67 8.931 -1.037 -10.203 1.00 0.00 H new ATOM 0 HA ASN A 67 11.635 -1.159 -9.004 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.872 0.358 -11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.475 0.180 -10.844 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.197 -2.701 -12.688 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.750 -1.264 -11.822 1.00 0.00 H new ATOM 1049 N ALA A 68 11.089 0.873 -7.724 1.00 0.00 N ATOM 1050 CA ALA A 68 10.820 2.078 -6.949 1.00 0.00 C ATOM 1051 C ALA A 68 11.139 3.332 -7.757 1.00 0.00 C ATOM 1052 O ALA A 68 12.280 3.544 -8.168 1.00 0.00 O ATOM 1053 CB ALA A 68 11.619 2.064 -5.655 1.00 0.00 C ATOM 0 H ALA A 68 11.728 0.217 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 68 9.758 2.094 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.408 2.970 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.339 1.192 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.684 2.020 -5.885 1.00 0.00 H new ATOM 1059 N LEU A 69 10.124 4.159 -7.982 1.00 0.00 N ATOM 1060 CA LEU A 69 10.296 5.392 -8.741 1.00 0.00 C ATOM 1061 C LEU A 69 9.918 6.607 -7.900 1.00 0.00 C ATOM 1062 O LEU A 69 9.076 6.520 -7.006 1.00 0.00 O ATOM 1063 CB LEU A 69 9.447 5.354 -10.013 1.00 0.00 C ATOM 1064 CG LEU A 69 9.889 4.358 -11.086 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.803 4.188 -12.136 1.00 0.00 C ATOM 1066 CD2 LEU A 69 11.191 4.812 -11.730 1.00 0.00 C ATOM 0 H LEU A 69 9.173 3.998 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 69 11.347 5.476 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.419 5.123 -9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.441 6.352 -10.452 1.00 0.00 H new ATOM 0 HG LEU A 69 10.060 3.392 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.135 3.476 -12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.894 3.817 -11.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.600 5.149 -12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.491 4.092 -12.491 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.047 5.789 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.969 4.881 -10.969 1.00 0.00 H new ATOM 1078 N THR A 70 10.545 7.742 -8.193 1.00 0.00 N ATOM 1079 CA THR A 70 10.274 8.975 -7.465 1.00 0.00 C ATOM 1080 C THR A 70 8.798 9.349 -7.546 1.00 0.00 C ATOM 1081 O THR A 70 8.327 10.214 -6.809 1.00 0.00 O ATOM 1082 CB THR A 70 11.118 10.144 -8.007 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.368 9.656 -8.507 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.370 11.179 -6.920 1.00 0.00 C ATOM 0 H THR A 70 11.244 7.833 -8.930 1.00 0.00 H new ATOM 0 HA THR A 70 10.543 8.793 -6.425 1.00 0.00 H new ATOM 0 HB THR A 70 10.564 10.618 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.898 10.405 -8.851 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.968 11.995 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.418 11.570 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.905 10.714 -6.092 1.00 0.00 H new ATOM 1092 N GLU A 71 8.074 8.690 -8.446 1.00 0.00 N ATOM 1093 CA GLU A 71 6.651 8.954 -8.622 1.00 0.00 C ATOM 1094 C GLU A 71 5.833 8.278 -7.526 1.00 0.00 C ATOM 1095 O GLU A 71 4.711 8.690 -7.230 1.00 0.00 O ATOM 1096 CB GLU A 71 6.185 8.467 -9.995 1.00 0.00 C ATOM 1097 CG GLU A 71 6.402 6.980 -10.219 1.00 0.00 C ATOM 1098 CD GLU A 71 5.808 6.494 -11.527 1.00 0.00 C ATOM 1099 OE1 GLU A 71 6.288 6.929 -12.595 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.863 5.679 -11.482 1.00 0.00 O ATOM 0 H GLU A 71 8.449 7.970 -9.064 1.00 0.00 H new ATOM 0 HA GLU A 71 6.497 10.031 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.125 8.692 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.715 9.024 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.471 6.767 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.958 6.423 -9.394 1.00 0.00 H new ATOM 1107 N ASP A 72 6.402 7.238 -6.927 1.00 0.00 N ATOM 1108 CA ASP A 72 5.726 6.504 -5.864 1.00 0.00 C ATOM 1109 C ASP A 72 5.984 7.152 -4.507 1.00 0.00 C ATOM 1110 O ASP A 72 5.181 7.022 -3.584 1.00 0.00 O ATOM 1111 CB ASP A 72 6.193 5.047 -5.844 1.00 0.00 C ATOM 1112 CG ASP A 72 5.371 4.163 -6.761 1.00 0.00 C ATOM 1113 OD1 ASP A 72 4.190 4.492 -7.001 1.00 0.00 O ATOM 1114 OD2 ASP A 72 5.909 3.144 -7.240 1.00 0.00 O ATOM 0 H ASP A 72 7.330 6.884 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 72 4.654 6.531 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.240 5.000 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.134 4.663 -4.825 1.00 0.00 H new ATOM 1119 N GLU A 73 7.111 7.849 -4.395 1.00 0.00 N ATOM 1120 CA GLU A 73 7.475 8.516 -3.150 1.00 0.00 C ATOM 1121 C GLU A 73 6.539 9.687 -2.866 1.00 0.00 C ATOM 1122 O GLU A 73 6.515 10.670 -3.606 1.00 0.00 O ATOM 1123 CB GLU A 73 8.922 9.009 -3.214 1.00 0.00 C ATOM 1124 CG GLU A 73 9.281 9.986 -2.107 1.00 0.00 C ATOM 1125 CD GLU A 73 10.552 10.759 -2.402 1.00 0.00 C ATOM 1126 OE1 GLU A 73 10.572 11.511 -3.399 1.00 0.00 O ATOM 1127 OE2 GLU A 73 11.527 10.612 -1.635 1.00 0.00 O ATOM 0 H GLU A 73 7.787 7.966 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 73 7.380 7.793 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.592 8.151 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.092 9.487 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.458 10.687 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.401 9.441 -1.171 1.00 0.00 H new ATOM 1134 N GLY A 74 5.768 9.574 -1.789 1.00 0.00 N ATOM 1135 CA GLY A 74 4.840 10.629 -1.427 1.00 0.00 C ATOM 1136 C GLY A 74 3.991 10.267 -0.224 1.00 0.00 C ATOM 1137 O GLY A 74 4.364 10.548 0.915 1.00 0.00 O ATOM 0 H GLY A 74 5.770 8.771 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.397 11.541 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.190 10.844 -2.275 1.00 0.00 H new ATOM 1141 N ASP A 75 2.845 9.644 -0.477 1.00 0.00 N ATOM 1142 CA ASP A 75 1.940 9.243 0.594 1.00 0.00 C ATOM 1143 C ASP A 75 1.042 8.095 0.145 1.00 0.00 C ATOM 1144 O ASP A 75 0.236 8.246 -0.774 1.00 0.00 O ATOM 1145 CB ASP A 75 1.086 10.431 1.039 1.00 0.00 C ATOM 1146 CG ASP A 75 0.643 10.316 2.485 1.00 0.00 C ATOM 1147 OD1 ASP A 75 -0.428 9.723 2.731 1.00 0.00 O ATOM 1148 OD2 ASP A 75 1.367 10.820 3.369 1.00 0.00 O ATOM 0 H ASP A 75 2.521 9.406 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 75 2.541 8.902 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.654 11.352 0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.208 10.504 0.398 1.00 0.00 H new ATOM 1153 N TYR A 76 1.187 6.947 0.798 1.00 0.00 N ATOM 1154 CA TYR A 76 0.392 5.772 0.465 1.00 0.00 C ATOM 1155 C TYR A 76 -0.710 5.549 1.496 1.00 0.00 C ATOM 1156 O TYR A 76 -0.463 5.574 2.702 1.00 0.00 O ATOM 1157 CB TYR A 76 1.285 4.533 0.381 1.00 0.00 C ATOM 1158 CG TYR A 76 1.972 4.372 -0.957 1.00 0.00 C ATOM 1159 CD1 TYR A 76 1.310 3.799 -2.036 1.00 0.00 C ATOM 1160 CD2 TYR A 76 3.284 4.793 -1.141 1.00 0.00 C ATOM 1161 CE1 TYR A 76 1.935 3.649 -3.259 1.00 0.00 C ATOM 1162 CE2 TYR A 76 3.915 4.648 -2.361 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.237 4.075 -3.417 1.00 0.00 C ATOM 1164 OH TYR A 76 3.862 3.929 -4.634 1.00 0.00 O ATOM 0 H TYR A 76 1.848 6.806 1.561 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.073 5.943 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.041 4.586 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.682 3.647 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.290 3.465 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.819 5.241 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.407 3.200 -4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.934 4.982 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 76 3.413 4.488 -5.302 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.929 5.330 1.012 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.070 5.100 1.890 1.00 0.00 C ATOM 1176 C VAL A 77 -3.925 3.942 1.388 1.00 0.00 C ATOM 1177 O VAL A 77 -4.257 3.869 0.205 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.949 6.360 2.009 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.195 6.066 2.831 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.156 7.507 2.617 1.00 0.00 C ATOM 0 H VAL A 77 -2.151 5.307 0.017 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.669 4.852 2.873 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.265 6.658 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.804 6.967 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.772 5.277 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.904 5.743 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.792 8.389 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.809 7.223 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.298 7.732 1.983 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.280 3.039 2.296 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.097 1.883 1.946 1.00 0.00 C ATOM 1192 C PHE A 78 -6.470 1.967 2.607 1.00 0.00 C ATOM 1193 O PHE A 78 -6.583 2.297 3.787 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.395 0.590 2.365 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.334 -0.565 2.562 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.185 -0.604 3.654 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.365 -1.613 1.655 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -7.051 -1.666 3.839 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.229 -2.676 1.834 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.072 -2.704 2.928 1.00 0.00 C ATOM 0 H PHE A 78 -4.015 3.086 3.280 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.233 1.880 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.658 0.324 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.849 0.766 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.172 0.205 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.706 -1.598 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.710 -1.684 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.245 -3.485 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.746 -3.536 3.071 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.510 1.666 1.836 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.875 1.706 2.346 1.00 0.00 C ATOM 1212 C ALA A 79 -9.650 0.459 1.937 1.00 0.00 C ATOM 1213 O ALA A 79 -9.574 -0.003 0.798 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.586 2.958 1.854 1.00 0.00 C ATOM 0 H ALA A 79 -7.433 1.392 0.857 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.829 1.732 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.604 2.975 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.050 3.841 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.613 2.956 0.764 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.415 -0.102 2.886 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.219 -1.304 2.646 1.00 0.00 C ATOM 1222 C PRO A 80 -12.398 -1.037 1.716 1.00 0.00 C ATOM 1223 O PRO A 80 -12.892 0.087 1.632 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.716 -1.682 4.044 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.706 -0.404 4.808 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.554 0.395 4.265 1.00 0.00 C ATOM 0 HA PRO A 80 -10.643 -2.089 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.717 -2.112 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.067 -2.425 4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.646 0.133 4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.584 -0.589 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.761 1.465 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.645 0.234 4.844 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.843 -2.078 1.020 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.965 -1.956 0.097 1.00 0.00 C ATOM 1236 C ASP A 81 -15.294 -2.053 0.840 1.00 0.00 C ATOM 1237 O ASP A 81 -16.349 -2.209 0.227 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.888 -3.040 -0.979 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.055 -2.614 -2.172 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -13.063 -1.409 -2.501 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -12.395 -3.485 -2.776 1.00 0.00 O ATOM 0 H ASP A 81 -12.444 -3.015 1.078 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.906 -0.977 -0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.463 -3.946 -0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.895 -3.288 -1.313 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.233 -1.962 2.164 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.431 -2.039 2.991 1.00 0.00 C ATOM 1248 C ALA A 82 -16.477 -0.895 3.999 1.00 0.00 C ATOM 1249 O ALA A 82 -17.551 -0.408 4.351 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.492 -3.379 3.708 1.00 0.00 C ATOM 0 H ALA A 82 -14.367 -1.835 2.687 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.299 -1.949 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.392 -3.423 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.515 -4.184 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.613 -3.492 4.343 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.305 -0.473 4.461 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.212 0.611 5.431 1.00 0.00 C ATOM 1258 C TYR A 83 -14.502 1.821 4.831 1.00 0.00 C ATOM 1259 O TYR A 83 -13.972 1.756 3.722 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.470 0.141 6.684 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.827 -1.267 7.106 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -16.004 -1.529 7.796 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -13.987 -2.335 6.813 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -16.333 -2.813 8.184 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -14.310 -3.622 7.196 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.483 -3.856 7.882 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.809 -5.137 8.266 1.00 0.00 O ATOM 0 H TYR A 83 -14.407 -0.865 4.179 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.225 0.906 5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.397 0.196 6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.690 0.824 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -16.673 -0.715 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -13.067 -2.155 6.277 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -17.251 -2.999 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.647 -4.441 6.959 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.247 -5.777 7.781 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.496 2.924 5.572 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.852 4.149 5.114 1.00 0.00 C ATOM 1279 C ASN A 84 -12.507 4.348 5.806 1.00 0.00 C ATOM 1280 O ASN A 84 -11.935 5.438 5.774 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.757 5.355 5.376 1.00 0.00 C ATOM 1282 CG ASN A 84 -15.526 5.228 6.677 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -15.083 4.559 7.610 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -16.686 5.872 6.743 1.00 0.00 N ATOM 0 H ASN A 84 -14.930 2.994 6.492 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.679 4.060 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.152 6.261 5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.460 5.464 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.249 5.823 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.014 6.415 5.944 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.007 3.288 6.432 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.729 3.345 7.131 1.00 0.00 C ATOM 1293 C VAL A 85 -9.588 3.646 6.166 1.00 0.00 C ATOM 1294 O VAL A 85 -9.580 3.175 5.029 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.431 2.023 7.865 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -9.191 2.163 8.734 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.630 1.595 8.697 1.00 0.00 C ATOM 0 H VAL A 85 -12.468 2.379 6.469 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.804 4.149 7.863 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.239 1.249 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.996 1.220 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.336 2.421 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.351 2.949 9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.403 0.660 9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.856 2.366 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.492 1.452 8.046 1.00 0.00 H new ATOM 1307 N THR A 86 -8.622 4.435 6.628 1.00 0.00 N ATOM 1308 CA THR A 86 -7.475 4.800 5.806 1.00 0.00 C ATOM 1309 C THR A 86 -6.176 4.687 6.595 1.00 0.00 C ATOM 1310 O THR A 86 -6.011 5.326 7.635 1.00 0.00 O ATOM 1311 CB THR A 86 -7.609 6.235 5.262 1.00 0.00 C ATOM 1312 OG1 THR A 86 -8.245 7.071 6.234 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.411 6.251 3.969 1.00 0.00 C ATOM 0 H THR A 86 -8.612 4.833 7.567 1.00 0.00 H new ATOM 0 HA THR A 86 -7.450 4.102 4.969 1.00 0.00 H new ATOM 0 HB THR A 86 -6.609 6.616 5.056 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.324 7.982 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.492 7.275 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.908 5.638 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.408 5.852 4.154 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.255 3.871 6.094 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.968 3.675 6.751 1.00 0.00 C ATOM 1323 C LEU A 87 -2.868 4.458 6.041 1.00 0.00 C ATOM 1324 O LEU A 87 -2.381 4.068 4.979 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.611 2.187 6.784 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.514 1.299 7.641 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.917 1.243 7.057 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.927 -0.100 7.760 1.00 0.00 C ATOM 0 H LEU A 87 -5.376 3.335 5.235 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.050 4.046 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.626 1.808 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.588 2.087 7.146 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.576 1.732 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.545 0.607 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.338 2.248 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.875 0.834 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.582 -0.719 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.835 -0.542 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.943 -0.043 8.225 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.464 5.588 6.640 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.416 6.448 6.084 1.00 0.00 C ATOM 1342 C PRO A 88 -0.037 5.801 6.156 1.00 0.00 C ATOM 1343 O PRO A 88 0.224 4.968 7.024 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.469 7.693 6.973 1.00 0.00 C ATOM 1345 CG PRO A 88 -2.039 7.213 8.263 1.00 0.00 C ATOM 1346 CD PRO A 88 -3.000 6.112 7.908 1.00 0.00 C ATOM 0 HA PRO A 88 -1.578 6.656 5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.477 8.122 7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.092 8.470 6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.254 6.847 8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.548 8.021 8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.032 5.342 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.016 6.488 7.790 1.00 0.00 H new ATOM 1354 N ALA A 89 0.843 6.190 5.240 1.00 0.00 N ATOM 1355 CA ALA A 89 2.197 5.650 5.202 1.00 0.00 C ATOM 1356 C ALA A 89 3.139 6.582 4.448 1.00 0.00 C ATOM 1357 O ALA A 89 2.769 7.166 3.429 1.00 0.00 O ATOM 1358 CB ALA A 89 2.196 4.269 4.563 1.00 0.00 C ATOM 0 H ALA A 89 0.643 6.878 4.514 1.00 0.00 H new ATOM 0 HA ALA A 89 2.556 5.565 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.213 3.878 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.562 3.600 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.812 4.339 3.545 1.00 0.00 H new ATOM 1364 N LYS A 90 4.359 6.719 4.956 1.00 0.00 N ATOM 1365 CA LYS A 90 5.356 7.580 4.331 1.00 0.00 C ATOM 1366 C LYS A 90 6.473 6.753 3.703 1.00 0.00 C ATOM 1367 O LYS A 90 6.980 5.811 4.313 1.00 0.00 O ATOM 1368 CB LYS A 90 5.942 8.548 5.362 1.00 0.00 C ATOM 1369 CG LYS A 90 6.535 9.804 4.748 1.00 0.00 C ATOM 1370 CD LYS A 90 7.135 10.713 5.807 1.00 0.00 C ATOM 1371 CE LYS A 90 6.074 11.586 6.459 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.643 12.695 5.564 1.00 0.00 N ATOM 0 H LYS A 90 4.681 6.244 5.799 1.00 0.00 H new ATOM 0 HA LYS A 90 4.864 8.151 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.160 8.832 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.714 8.033 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.304 9.529 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.761 10.343 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.629 10.109 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.900 11.345 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.211 10.974 6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.465 12.000 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.079 13.380 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.481 13.170 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.068 12.311 4.788 1.00 0.00 H new ATOM 1386 N VAL A 91 6.854 7.111 2.481 1.00 0.00 N ATOM 1387 CA VAL A 91 7.913 6.403 1.772 1.00 0.00 C ATOM 1388 C VAL A 91 8.954 7.375 1.227 1.00 0.00 C ATOM 1389 O VAL A 91 8.657 8.543 0.976 1.00 0.00 O ATOM 1390 CB VAL A 91 7.347 5.567 0.608 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.073 4.141 1.058 1.00 0.00 C ATOM 1392 CG2 VAL A 91 6.086 6.212 0.053 1.00 0.00 C ATOM 0 H VAL A 91 6.445 7.887 1.961 1.00 0.00 H new ATOM 0 HA VAL A 91 8.386 5.735 2.492 1.00 0.00 H new ATOM 0 HB VAL A 91 8.091 5.534 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.674 3.566 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.000 3.684 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.348 4.149 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.700 5.608 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.334 6.278 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.319 7.213 -0.311 1.00 0.00 H new ATOM 1402 N HIS A 92 10.175 6.883 1.044 1.00 0.00 N ATOM 1403 CA HIS A 92 11.261 7.708 0.527 1.00 0.00 C ATOM 1404 C HIS A 92 12.160 6.901 -0.406 1.00 0.00 C ATOM 1405 O HIS A 92 12.511 5.759 -0.111 1.00 0.00 O ATOM 1406 CB HIS A 92 12.087 8.282 1.679 1.00 0.00 C ATOM 1407 CG HIS A 92 11.309 9.194 2.577 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.777 10.393 2.152 1.00 0.00 N ATOM 1409 CD2 HIS A 92 10.974 9.076 3.883 1.00 0.00 C ATOM 1410 CE1 HIS A 92 10.149 10.974 3.159 1.00 0.00 C ATOM 1411 NE2 HIS A 92 10.253 10.195 4.221 1.00 0.00 N ATOM 0 H HIS A 92 10.437 5.918 1.246 1.00 0.00 H new ATOM 0 HA HIS A 92 10.822 8.529 -0.040 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.491 7.460 2.271 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.937 8.827 1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.227 8.255 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.637 11.924 3.120 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.862 10.392 5.142 1.00 0.00 H new ATOM 1420 N VAL A 93 12.527 7.503 -1.533 1.00 0.00 N ATOM 1421 CA VAL A 93 13.384 6.841 -2.509 1.00 0.00 C ATOM 1422 C VAL A 93 14.716 7.569 -2.655 1.00 0.00 C ATOM 1423 O VAL A 93 14.758 8.798 -2.725 1.00 0.00 O ATOM 1424 CB VAL A 93 12.704 6.757 -3.888 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.510 8.147 -4.473 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.517 5.882 -4.830 1.00 0.00 C ATOM 0 H VAL A 93 12.244 8.448 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 93 13.564 5.832 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 93 11.722 6.301 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.028 8.068 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.883 8.738 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.479 8.633 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.022 5.834 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.513 6.307 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.599 4.878 -4.414 1.00 0.00 H new ATOM 1436 N ILE A 94 15.801 6.803 -2.699 1.00 0.00 N ATOM 1437 CA ILE A 94 17.134 7.376 -2.838 1.00 0.00 C ATOM 1438 C ILE A 94 17.398 7.811 -4.276 1.00 0.00 C ATOM 1439 O ILE A 94 17.183 7.046 -5.216 1.00 0.00 O ATOM 1440 CB ILE A 94 18.224 6.377 -2.407 1.00 0.00 C ATOM 1441 CG1 ILE A 94 18.118 6.088 -0.908 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.603 6.916 -2.753 1.00 0.00 C ATOM 1443 CD1 ILE A 94 16.764 5.560 -0.488 1.00 0.00 C ATOM 0 H ILE A 94 15.783 5.785 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 94 17.173 8.247 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 94 18.075 5.443 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 94 18.883 5.363 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.330 7.003 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.363 6.199 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.672 7.074 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.764 7.862 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 94 16.762 5.378 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 94 15.996 6.293 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.558 4.628 -1.014 1.00 0.00 H new