USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 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 28 LYS NZ :NH3+ -163:sc= -0.778 (180deg=-0.813) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -169:sc= -0.251 (180deg=-0.432) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= -0.0487 X(o=0.15,f=-0.18) USER MOD Set 2.3: A 26 CYS SG : rot 24:sc= 0.197 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.003 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.568 K(o=-0.57,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -1:sc= -1.62 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 34 ASN : amide:sc= -0.325 K(o=-0.32,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -21:sc= 0.394 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -0.62 (180deg=-1.98!) USER MOD Single : A 42 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -0.166 (180deg=-0.739) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.87) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00662 X(o=-0.0066,f=-0.35) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 76 TYR OH : rot 90:sc= -0.612 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 84 ASN : amide:sc= 0.0713 K(o=0.071,f=-2.8!) USER MOD Single : A 86 THR OG1 : rot 37:sc= 0.119 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0245 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.846 -2.293 12.260 1.00 0.00 N ATOM 67 CA LEU A 8 -12.528 -2.750 11.833 1.00 0.00 C ATOM 68 C LEU A 8 -11.451 -2.302 12.816 1.00 0.00 C ATOM 69 O LEU A 8 -11.445 -1.157 13.269 1.00 0.00 O ATOM 70 CB LEU A 8 -12.211 -2.218 10.434 1.00 0.00 C ATOM 71 CG LEU A 8 -10.858 -2.629 9.851 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.947 -4.008 9.216 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.381 -1.601 8.835 1.00 0.00 C ATOM 0 HA LEU A 8 -12.539 -3.840 11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.994 -2.553 9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.257 -1.129 10.462 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.132 -2.672 10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.975 -4.283 8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.243 -4.737 9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.687 -3.993 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.417 -1.909 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.107 -1.526 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.277 -0.631 9.321 1.00 0.00 H new ATOM 85 N LYS A 9 -10.539 -3.212 13.142 1.00 0.00 N ATOM 86 CA LYS A 9 -9.454 -2.911 14.068 1.00 0.00 C ATOM 87 C LYS A 9 -8.097 -3.138 13.409 1.00 0.00 C ATOM 88 O LYS A 9 -7.749 -4.265 13.057 1.00 0.00 O ATOM 89 CB LYS A 9 -9.574 -3.777 15.324 1.00 0.00 C ATOM 90 CG LYS A 9 -10.504 -3.198 16.376 1.00 0.00 C ATOM 91 CD LYS A 9 -9.759 -2.288 17.338 1.00 0.00 C ATOM 92 CE LYS A 9 -9.712 -0.856 16.827 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.610 0.128 17.941 1.00 0.00 N ATOM 0 H LYS A 9 -10.530 -4.165 12.778 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.530 -1.861 14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.932 -4.767 15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.584 -3.909 15.760 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.303 -2.638 15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.976 -4.008 16.932 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.245 -2.312 18.313 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.744 -2.659 17.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.860 -0.737 16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.608 -0.650 16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.581 1.092 17.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.436 0.032 18.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.742 -0.052 18.485 1.00 0.00 H new ATOM 107 N ILE A 10 -7.336 -2.061 13.248 1.00 0.00 N ATOM 108 CA ILE A 10 -6.017 -2.144 12.634 1.00 0.00 C ATOM 109 C ILE A 10 -4.986 -2.689 13.617 1.00 0.00 C ATOM 110 O ILE A 10 -4.672 -2.049 14.622 1.00 0.00 O ATOM 111 CB ILE A 10 -5.546 -0.769 12.123 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.599 -0.157 11.198 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.212 -0.900 11.403 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.562 1.355 11.156 1.00 0.00 C ATOM 0 H ILE A 10 -7.610 -1.121 13.534 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.105 -2.826 11.788 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.411 -0.106 12.978 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.454 -0.544 10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.588 -0.479 11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.892 0.080 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.465 -1.298 12.090 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.321 -1.576 10.555 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.336 1.719 10.480 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.738 1.751 12.156 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.586 1.685 10.801 1.00 0.00 H new ATOM 126 N LEU A 11 -4.462 -3.872 13.320 1.00 0.00 N ATOM 127 CA LEU A 11 -3.464 -4.504 14.177 1.00 0.00 C ATOM 128 C LEU A 11 -2.067 -3.976 13.866 1.00 0.00 C ATOM 129 O LEU A 11 -1.365 -3.484 14.750 1.00 0.00 O ATOM 130 CB LEU A 11 -3.499 -6.023 14.000 1.00 0.00 C ATOM 131 CG LEU A 11 -4.865 -6.688 14.175 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.773 -8.178 13.888 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.399 -6.445 15.579 1.00 0.00 C ATOM 0 H LEU A 11 -4.711 -4.414 12.492 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.703 -4.260 15.212 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.126 -6.261 13.004 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.806 -6.468 14.714 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.559 -6.244 13.462 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.754 -8.635 14.017 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.434 -8.331 12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.065 -8.638 14.577 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.372 -6.925 15.686 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.706 -6.862 16.309 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.503 -5.373 15.748 1.00 0.00 H new ATOM 145 N THR A 12 -1.669 -4.080 12.602 1.00 0.00 N ATOM 146 CA THR A 12 -0.356 -3.613 12.173 1.00 0.00 C ATOM 147 C THR A 12 -0.478 -2.567 11.071 1.00 0.00 C ATOM 148 O THR A 12 -0.520 -2.884 9.882 1.00 0.00 O ATOM 149 CB THR A 12 0.516 -4.776 11.666 1.00 0.00 C ATOM 150 OG1 THR A 12 0.455 -5.872 12.586 1.00 0.00 O ATOM 151 CG2 THR A 12 1.961 -4.333 11.493 1.00 0.00 C ATOM 0 H THR A 12 -2.237 -4.484 11.857 1.00 0.00 H new ATOM 0 HA THR A 12 0.120 -3.165 13.045 1.00 0.00 H new ATOM 0 HB THR A 12 0.131 -5.094 10.697 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.011 -6.608 12.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.558 -5.171 11.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.008 -3.518 10.770 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.354 -3.991 12.451 1.00 0.00 H new ATOM 159 N PRO A 13 -0.537 -1.288 11.472 1.00 0.00 N ATOM 160 CA PRO A 13 -0.653 -0.169 10.532 1.00 0.00 C ATOM 161 C PRO A 13 0.620 0.042 9.720 1.00 0.00 C ATOM 162 O PRO A 13 1.722 0.064 10.269 1.00 0.00 O ATOM 163 CB PRO A 13 -0.911 1.034 11.444 1.00 0.00 C ATOM 164 CG PRO A 13 -0.312 0.652 12.753 1.00 0.00 C ATOM 165 CD PRO A 13 -0.493 -0.836 12.872 1.00 0.00 C ATOM 0 HA PRO A 13 -1.436 -0.338 9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.450 1.938 11.046 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.978 1.236 11.541 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.743 0.921 12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.805 1.172 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.330 -1.298 13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.410 -1.088 13.404 1.00 0.00 H new ATOM 173 N LEU A 14 0.462 0.196 8.410 1.00 0.00 N ATOM 174 CA LEU A 14 1.599 0.405 7.521 1.00 0.00 C ATOM 175 C LEU A 14 2.659 1.275 8.189 1.00 0.00 C ATOM 176 O LEU A 14 2.340 2.190 8.949 1.00 0.00 O ATOM 177 CB LEU A 14 1.139 1.056 6.215 1.00 0.00 C ATOM 178 CG LEU A 14 0.062 0.302 5.434 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.757 1.266 4.590 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.690 -0.773 4.561 1.00 0.00 C ATOM 0 H LEU A 14 -0.443 0.180 7.940 1.00 0.00 H new ATOM 0 HA LEU A 14 2.039 -0.568 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.764 2.054 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.008 1.181 5.569 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.605 -0.182 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.519 0.712 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.238 1.999 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.103 1.779 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.092 -1.299 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.380 -0.311 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.232 -1.481 5.188 1.00 0.00 H new ATOM 192 N THR A 15 3.924 0.986 7.900 1.00 0.00 N ATOM 193 CA THR A 15 5.032 1.741 8.471 1.00 0.00 C ATOM 194 C THR A 15 5.849 2.427 7.382 1.00 0.00 C ATOM 195 O THR A 15 5.772 2.059 6.210 1.00 0.00 O ATOM 196 CB THR A 15 5.961 0.836 9.301 1.00 0.00 C ATOM 197 OG1 THR A 15 6.420 -0.260 8.501 1.00 0.00 O ATOM 198 CG2 THR A 15 5.241 0.304 10.531 1.00 0.00 C ATOM 0 H THR A 15 4.207 0.233 7.273 1.00 0.00 H new ATOM 0 HA THR A 15 4.595 2.496 9.124 1.00 0.00 H new ATOM 0 HB THR A 15 6.814 1.431 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.012 -0.830 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.917 -0.333 11.102 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.918 1.139 11.153 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.372 -0.276 10.221 1.00 0.00 H new ATOM 206 N ASP A 16 6.631 3.425 7.777 1.00 0.00 N ATOM 207 CA ASP A 16 7.465 4.162 6.834 1.00 0.00 C ATOM 208 C ASP A 16 8.428 3.225 6.112 1.00 0.00 C ATOM 209 O ASP A 16 9.185 2.490 6.746 1.00 0.00 O ATOM 210 CB ASP A 16 8.248 5.257 7.560 1.00 0.00 C ATOM 211 CG ASP A 16 9.094 4.710 8.693 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.551 3.957 9.529 1.00 0.00 O ATOM 213 OD2 ASP A 16 10.298 5.034 8.744 1.00 0.00 O ATOM 0 H ASP A 16 6.705 3.743 8.743 1.00 0.00 H new ATOM 0 HA ASP A 16 6.812 4.623 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.891 5.773 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.551 5.997 7.955 1.00 0.00 H new ATOM 218 N GLN A 17 8.392 3.255 4.784 1.00 0.00 N ATOM 219 CA GLN A 17 9.261 2.407 3.977 1.00 0.00 C ATOM 220 C GLN A 17 10.174 3.248 3.092 1.00 0.00 C ATOM 221 O GLN A 17 9.706 4.024 2.257 1.00 0.00 O ATOM 222 CB GLN A 17 8.425 1.460 3.114 1.00 0.00 C ATOM 223 CG GLN A 17 7.658 0.422 3.917 1.00 0.00 C ATOM 224 CD GLN A 17 8.572 -0.517 4.680 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.160 -1.433 4.105 1.00 0.00 O ATOM 226 NE2 GLN A 17 8.696 -0.294 5.983 1.00 0.00 N ATOM 0 H GLN A 17 7.771 3.857 4.244 1.00 0.00 H new ATOM 0 HA GLN A 17 9.882 1.819 4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.719 2.046 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.081 0.950 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.995 0.928 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.027 -0.158 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.190 0.477 6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.297 -0.894 6.548 1.00 0.00 H new ATOM 235 N THR A 18 11.481 3.090 3.279 1.00 0.00 N ATOM 236 CA THR A 18 12.460 3.836 2.499 1.00 0.00 C ATOM 237 C THR A 18 13.385 2.896 1.734 1.00 0.00 C ATOM 238 O THR A 18 14.007 2.010 2.319 1.00 0.00 O ATOM 239 CB THR A 18 13.310 4.756 3.396 1.00 0.00 C ATOM 240 OG1 THR A 18 12.466 5.692 4.077 1.00 0.00 O ATOM 241 CG2 THR A 18 14.347 5.506 2.574 1.00 0.00 C ATOM 0 H THR A 18 11.886 2.452 3.964 1.00 0.00 H new ATOM 0 HA THR A 18 11.900 4.447 1.791 1.00 0.00 H new ATOM 0 HB THR A 18 13.829 4.136 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.013 6.272 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.935 6.149 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.006 4.792 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.845 6.115 1.823 1.00 0.00 H new ATOM 249 N VAL A 19 13.471 3.096 0.423 1.00 0.00 N ATOM 250 CA VAL A 19 14.322 2.267 -0.423 1.00 0.00 C ATOM 251 C VAL A 19 14.985 3.097 -1.516 1.00 0.00 C ATOM 252 O VAL A 19 14.731 4.294 -1.642 1.00 0.00 O ATOM 253 CB VAL A 19 13.522 1.124 -1.075 1.00 0.00 C ATOM 254 CG1 VAL A 19 12.966 0.188 -0.013 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.404 1.684 -1.942 1.00 0.00 C ATOM 0 H VAL A 19 12.962 3.825 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 19 15.090 1.840 0.222 1.00 0.00 H new ATOM 0 HB VAL A 19 14.194 0.551 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.404 -0.613 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.788 -0.239 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.307 0.745 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.849 0.863 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.731 2.281 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.830 2.310 -2.726 1.00 0.00 H new ATOM 265 N ASN A 20 15.837 2.451 -2.306 1.00 0.00 N ATOM 266 CA ASN A 20 16.538 3.130 -3.391 1.00 0.00 C ATOM 267 C ASN A 20 15.783 2.974 -4.708 1.00 0.00 C ATOM 268 O ASN A 20 15.074 1.989 -4.917 1.00 0.00 O ATOM 269 CB ASN A 20 17.957 2.575 -3.534 1.00 0.00 C ATOM 270 CG ASN A 20 18.768 3.326 -4.572 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.570 3.154 -5.775 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.689 4.164 -4.111 1.00 0.00 N ATOM 0 H ASN A 20 16.059 1.459 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 20 16.593 4.191 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.465 2.629 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.906 1.521 -3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.266 4.696 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.819 4.276 -3.106 1.00 0.00 H new ATOM 279 N LEU A 21 15.942 3.951 -5.593 1.00 0.00 N ATOM 280 CA LEU A 21 15.276 3.923 -6.891 1.00 0.00 C ATOM 281 C LEU A 21 15.651 2.665 -7.668 1.00 0.00 C ATOM 282 O LEU A 21 16.829 2.346 -7.820 1.00 0.00 O ATOM 283 CB LEU A 21 15.645 5.167 -7.702 1.00 0.00 C ATOM 284 CG LEU A 21 14.591 5.657 -8.696 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.850 7.106 -9.077 1.00 0.00 C ATOM 286 CD2 LEU A 21 14.574 4.772 -9.934 1.00 0.00 C ATOM 0 H LEU A 21 16.526 4.772 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 21 14.200 3.914 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.865 5.977 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.564 4.959 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 21 13.613 5.598 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.090 7.437 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.811 7.730 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.835 7.191 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.818 5.135 -10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.552 4.799 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.339 3.747 -9.646 1.00 0.00 H new ATOM 298 N GLY A 22 14.640 1.956 -8.160 1.00 0.00 N ATOM 299 CA GLY A 22 14.884 0.743 -8.917 1.00 0.00 C ATOM 300 C GLY A 22 14.544 -0.509 -8.133 1.00 0.00 C ATOM 301 O GLY A 22 14.232 -1.549 -8.713 1.00 0.00 O ATOM 0 H GLY A 22 13.656 2.200 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.294 0.765 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.932 0.708 -9.214 1.00 0.00 H new ATOM 305 N LYS A 23 14.605 -0.410 -6.809 1.00 0.00 N ATOM 306 CA LYS A 23 14.302 -1.543 -5.942 1.00 0.00 C ATOM 307 C LYS A 23 12.829 -1.926 -6.043 1.00 0.00 C ATOM 308 O LYS A 23 12.044 -1.241 -6.698 1.00 0.00 O ATOM 309 CB LYS A 23 14.655 -1.209 -4.491 1.00 0.00 C ATOM 310 CG LYS A 23 16.149 -1.103 -4.237 1.00 0.00 C ATOM 311 CD LYS A 23 16.493 -1.423 -2.792 1.00 0.00 C ATOM 312 CE LYS A 23 17.962 -1.162 -2.498 1.00 0.00 C ATOM 313 NZ LYS A 23 18.808 -2.348 -2.808 1.00 0.00 N ATOM 0 H LYS A 23 14.862 0.444 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 23 14.903 -2.391 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.181 -0.266 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.238 -1.976 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.681 -1.787 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.490 -0.096 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.875 -0.819 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.259 -2.467 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.304 -0.309 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.081 -0.896 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.802 -2.131 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.498 -3.156 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.715 -2.587 -3.816 1.00 0.00 H new ATOM 327 N GLU A 24 12.462 -3.024 -5.390 1.00 0.00 N ATOM 328 CA GLU A 24 11.082 -3.497 -5.406 1.00 0.00 C ATOM 329 C GLU A 24 10.338 -3.047 -4.153 1.00 0.00 C ATOM 330 O GLU A 24 10.576 -3.560 -3.059 1.00 0.00 O ATOM 331 CB GLU A 24 11.044 -5.022 -5.516 1.00 0.00 C ATOM 332 CG GLU A 24 9.642 -5.586 -5.678 1.00 0.00 C ATOM 333 CD GLU A 24 9.623 -7.102 -5.709 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.009 -7.680 -6.746 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.221 -7.710 -4.694 1.00 0.00 O ATOM 0 H GLU A 24 13.100 -3.603 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 24 10.587 -3.065 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.652 -5.332 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.499 -5.454 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.016 -5.235 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.204 -5.202 -6.599 1.00 0.00 H new ATOM 342 N ILE A 25 9.436 -2.085 -4.320 1.00 0.00 N ATOM 343 CA ILE A 25 8.657 -1.566 -3.203 1.00 0.00 C ATOM 344 C ILE A 25 7.925 -2.689 -2.476 1.00 0.00 C ATOM 345 O ILE A 25 7.659 -3.745 -3.051 1.00 0.00 O ATOM 346 CB ILE A 25 7.630 -0.518 -3.671 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.339 0.647 -4.364 1.00 0.00 C ATOM 348 CG2 ILE A 25 6.807 -0.019 -2.493 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.143 1.513 -3.420 1.00 0.00 C ATOM 0 H ILE A 25 9.227 -1.650 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 25 9.362 -1.092 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 25 6.955 -0.987 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.001 0.252 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.596 1.266 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.086 0.721 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.277 -0.856 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.467 0.436 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.618 2.318 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.483 1.937 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.909 0.908 -2.935 1.00 0.00 H new ATOM 361 N CYS A 26 7.600 -2.453 -1.210 1.00 0.00 N ATOM 362 CA CYS A 26 6.896 -3.444 -0.403 1.00 0.00 C ATOM 363 C CYS A 26 6.129 -2.775 0.733 1.00 0.00 C ATOM 364 O CYS A 26 6.654 -1.896 1.418 1.00 0.00 O ATOM 365 CB CYS A 26 7.884 -4.464 0.164 1.00 0.00 C ATOM 366 SG CYS A 26 9.086 -3.765 1.320 1.00 0.00 S ATOM 0 H CYS A 26 7.813 -1.584 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 26 6.181 -3.959 -1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.326 -5.252 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.420 -4.932 -0.662 1.00 0.00 H new ATOM 0 HG CYS A 26 8.604 -2.676 1.841 1.00 0.00 H new ATOM 372 N LEU A 27 4.884 -3.195 0.926 1.00 0.00 N ATOM 373 CA LEU A 27 4.042 -2.636 1.979 1.00 0.00 C ATOM 374 C LEU A 27 3.016 -3.658 2.456 1.00 0.00 C ATOM 375 O LEU A 27 2.082 -4.001 1.731 1.00 0.00 O ATOM 376 CB LEU A 27 3.331 -1.378 1.476 1.00 0.00 C ATOM 377 CG LEU A 27 4.232 -0.193 1.125 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.473 0.824 0.287 1.00 0.00 C ATOM 379 CD2 LEU A 27 4.776 0.456 2.389 1.00 0.00 C ATOM 0 H LEU A 27 4.435 -3.921 0.368 1.00 0.00 H new ATOM 0 HA LEU A 27 4.682 -2.372 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.751 -1.642 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.622 -1.056 2.239 1.00 0.00 H new ATOM 0 HG LEU A 27 5.073 -0.562 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.130 1.660 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.132 0.354 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.612 1.188 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.415 1.297 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.947 0.811 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.356 -0.275 2.952 1.00 0.00 H new ATOM 391 N LYS A 28 3.194 -4.139 3.682 1.00 0.00 N ATOM 392 CA LYS A 28 2.282 -5.120 4.259 1.00 0.00 C ATOM 393 C LYS A 28 1.525 -4.527 5.443 1.00 0.00 C ATOM 394 O LYS A 28 2.069 -3.723 6.200 1.00 0.00 O ATOM 395 CB LYS A 28 3.053 -6.364 4.704 1.00 0.00 C ATOM 396 CG LYS A 28 2.158 -7.534 5.074 1.00 0.00 C ATOM 397 CD LYS A 28 2.955 -8.818 5.234 1.00 0.00 C ATOM 398 CE LYS A 28 3.397 -9.370 3.888 1.00 0.00 C ATOM 399 NZ LYS A 28 4.266 -10.570 4.039 1.00 0.00 N ATOM 0 H LYS A 28 3.962 -3.865 4.295 1.00 0.00 H new ATOM 0 HA LYS A 28 1.560 -5.403 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.725 -6.671 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.675 -6.108 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.634 -7.312 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.399 -7.670 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.830 -8.629 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.349 -9.561 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.519 -9.629 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.936 -8.598 3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.774 -10.745 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.952 -10.408 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.679 -11.397 4.270 1.00 0.00 H new ATOM 413 N CYS A 29 0.269 -4.931 5.598 1.00 0.00 N ATOM 414 CA CYS A 29 -0.563 -4.440 6.692 1.00 0.00 C ATOM 415 C CYS A 29 -1.400 -5.568 7.287 1.00 0.00 C ATOM 416 O CYS A 29 -1.691 -6.557 6.616 1.00 0.00 O ATOM 417 CB CYS A 29 -1.475 -3.315 6.201 1.00 0.00 C ATOM 418 SG CYS A 29 -1.970 -2.150 7.492 1.00 0.00 S ATOM 0 H CYS A 29 -0.196 -5.597 4.981 1.00 0.00 H new ATOM 0 HA CYS A 29 0.094 -4.051 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.964 -2.767 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.370 -3.754 5.760 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.464 -2.522 8.630 1.00 0.00 H new ATOM 424 N GLU A 30 -1.781 -5.411 8.551 1.00 0.00 N ATOM 425 CA GLU A 30 -2.582 -6.418 9.237 1.00 0.00 C ATOM 426 C GLU A 30 -3.835 -5.795 9.845 1.00 0.00 C ATOM 427 O GLU A 30 -3.795 -4.682 10.370 1.00 0.00 O ATOM 428 CB GLU A 30 -1.757 -7.101 10.329 1.00 0.00 C ATOM 429 CG GLU A 30 -2.417 -8.343 10.904 1.00 0.00 C ATOM 430 CD GLU A 30 -1.420 -9.297 11.532 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.879 -10.154 10.802 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.180 -9.186 12.752 1.00 0.00 O ATOM 0 H GLU A 30 -1.548 -4.597 9.120 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.888 -7.164 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.784 -7.373 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.577 -6.390 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.151 -8.046 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.960 -8.860 10.113 1.00 0.00 H new ATOM 439 N ILE A 31 -4.946 -6.520 9.769 1.00 0.00 N ATOM 440 CA ILE A 31 -6.210 -6.039 10.312 1.00 0.00 C ATOM 441 C ILE A 31 -6.993 -7.171 10.967 1.00 0.00 C ATOM 442 O ILE A 31 -6.561 -8.324 10.961 1.00 0.00 O ATOM 443 CB ILE A 31 -7.082 -5.391 9.220 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.223 -6.335 8.024 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.485 -4.061 8.785 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.187 -5.835 6.970 1.00 0.00 C ATOM 0 H ILE A 31 -4.996 -7.442 9.337 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.965 -5.288 11.063 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.074 -5.204 9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.243 -6.481 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.558 -7.310 8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.113 -3.616 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.431 -3.389 9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.483 -4.224 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.237 -6.554 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.177 -5.716 7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.842 -4.874 6.588 1.00 0.00 H new ATOM 458 N SER A 32 -8.149 -6.835 11.531 1.00 0.00 N ATOM 459 CA SER A 32 -8.993 -7.823 12.192 1.00 0.00 C ATOM 460 C SER A 32 -10.234 -8.125 11.357 1.00 0.00 C ATOM 461 O SER A 32 -11.348 -8.171 11.876 1.00 0.00 O ATOM 462 CB SER A 32 -9.407 -7.326 13.579 1.00 0.00 C ATOM 463 OG SER A 32 -8.441 -7.675 14.555 1.00 0.00 O ATOM 0 H SER A 32 -8.522 -5.886 11.543 1.00 0.00 H new ATOM 0 HA SER A 32 -8.416 -8.742 12.300 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.533 -6.243 13.558 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.372 -7.754 13.849 1.00 0.00 H new ATOM 0 HG SER A 32 -8.728 -7.345 15.432 1.00 0.00 H new ATOM 469 N GLU A 33 -10.030 -8.330 10.059 1.00 0.00 N ATOM 470 CA GLU A 33 -11.132 -8.627 9.151 1.00 0.00 C ATOM 471 C GLU A 33 -10.609 -9.056 7.783 1.00 0.00 C ATOM 472 O GLU A 33 -9.873 -8.319 7.129 1.00 0.00 O ATOM 473 CB GLU A 33 -12.041 -7.405 9.002 1.00 0.00 C ATOM 474 CG GLU A 33 -13.408 -7.732 8.423 1.00 0.00 C ATOM 475 CD GLU A 33 -14.246 -8.587 9.353 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.227 -8.328 10.575 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.920 -9.516 8.860 1.00 0.00 O ATOM 0 H GLU A 33 -9.113 -8.296 9.613 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.708 -9.450 9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.171 -6.938 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.550 -6.673 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.940 -6.805 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.281 -8.252 7.473 1.00 0.00 H new ATOM 484 N ASN A 34 -10.996 -10.254 7.358 1.00 0.00 N ATOM 485 CA ASN A 34 -10.566 -10.783 6.069 1.00 0.00 C ATOM 486 C ASN A 34 -11.404 -10.201 4.935 1.00 0.00 C ATOM 487 O ASN A 34 -12.438 -10.758 4.565 1.00 0.00 O ATOM 488 CB ASN A 34 -10.667 -12.310 6.061 1.00 0.00 C ATOM 489 CG ASN A 34 -9.797 -12.941 4.991 1.00 0.00 C ATOM 490 OD1 ASN A 34 -9.815 -12.521 3.833 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.031 -13.956 5.374 1.00 0.00 N ATOM 0 H ASN A 34 -11.606 -10.877 7.887 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.527 -10.494 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.375 -12.696 7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.705 -12.602 5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.425 -14.421 4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.048 -14.270 6.344 1.00 0.00 H new ATOM 498 N ILE A 35 -10.951 -9.078 4.387 1.00 0.00 N ATOM 499 CA ILE A 35 -11.659 -8.422 3.295 1.00 0.00 C ATOM 500 C ILE A 35 -10.689 -7.692 2.372 1.00 0.00 C ATOM 501 O ILE A 35 -9.664 -7.162 2.802 1.00 0.00 O ATOM 502 CB ILE A 35 -12.702 -7.419 3.822 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.064 -6.477 4.845 1.00 0.00 C ATOM 504 CG2 ILE A 35 -13.882 -8.156 4.436 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.375 -5.284 4.221 1.00 0.00 C ATOM 0 H ILE A 35 -10.097 -8.604 4.681 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.171 -9.205 2.735 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.067 -6.823 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.834 -6.124 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.340 -7.035 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.611 -7.434 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.348 -8.789 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.534 -8.774 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.946 -4.660 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.582 -5.628 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.099 -4.703 3.651 1.00 0.00 H new ATOM 517 N PRO A 36 -11.019 -7.661 1.072 1.00 0.00 N ATOM 518 CA PRO A 36 -10.191 -6.996 0.061 1.00 0.00 C ATOM 519 C PRO A 36 -10.210 -5.478 0.203 1.00 0.00 C ATOM 520 O PRO A 36 -11.166 -4.906 0.724 1.00 0.00 O ATOM 521 CB PRO A 36 -10.839 -7.418 -1.260 1.00 0.00 C ATOM 522 CG PRO A 36 -12.254 -7.720 -0.909 1.00 0.00 C ATOM 523 CD PRO A 36 -12.225 -8.272 0.490 1.00 0.00 C ATOM 0 HA PRO A 36 -9.141 -7.276 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.777 -6.623 -2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.342 -8.290 -1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.869 -6.822 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.683 -8.441 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.122 -8.001 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.165 -9.360 0.492 1.00 0.00 H new ATOM 531 N GLY A 37 -9.147 -4.831 -0.265 1.00 0.00 N ATOM 532 CA GLY A 37 -9.063 -3.384 -0.181 1.00 0.00 C ATOM 533 C GLY A 37 -8.313 -2.778 -1.351 1.00 0.00 C ATOM 534 O GLY A 37 -7.934 -3.482 -2.287 1.00 0.00 O ATOM 0 H GLY A 37 -8.343 -5.282 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.069 -2.966 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.567 -3.105 0.748 1.00 0.00 H new ATOM 538 N LYS A 38 -8.098 -1.468 -1.299 1.00 0.00 N ATOM 539 CA LYS A 38 -7.389 -0.766 -2.361 1.00 0.00 C ATOM 540 C LYS A 38 -6.392 0.233 -1.783 1.00 0.00 C ATOM 541 O LYS A 38 -6.571 0.728 -0.669 1.00 0.00 O ATOM 542 CB LYS A 38 -8.381 -0.042 -3.274 1.00 0.00 C ATOM 543 CG LYS A 38 -9.051 1.152 -2.618 1.00 0.00 C ATOM 544 CD LYS A 38 -10.215 1.665 -3.449 1.00 0.00 C ATOM 545 CE LYS A 38 -10.986 2.753 -2.717 1.00 0.00 C ATOM 546 NZ LYS A 38 -11.978 3.422 -3.604 1.00 0.00 N ATOM 0 H LYS A 38 -8.405 -0.871 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.839 -1.504 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.859 0.292 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.148 -0.747 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.407 0.871 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.321 1.950 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.843 2.056 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.886 0.839 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.500 2.319 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.288 3.494 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.483 4.157 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.485 3.858 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.660 2.719 -3.954 1.00 0.00 H new ATOM 560 N TRP A 39 -5.345 0.527 -2.545 1.00 0.00 N ATOM 561 CA TRP A 39 -4.321 1.469 -2.107 1.00 0.00 C ATOM 562 C TRP A 39 -4.463 2.802 -2.832 1.00 0.00 C ATOM 563 O TRP A 39 -4.987 2.863 -3.945 1.00 0.00 O ATOM 564 CB TRP A 39 -2.927 0.888 -2.349 1.00 0.00 C ATOM 565 CG TRP A 39 -2.724 -0.453 -1.711 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.314 -1.630 -2.072 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.872 -0.753 -0.600 1.00 0.00 C ATOM 568 NE1 TRP A 39 -2.881 -2.644 -1.252 1.00 0.00 N ATOM 569 CE2 TRP A 39 -1.995 -2.132 -0.341 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.016 0.008 0.200 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.295 -2.762 0.684 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.322 -0.618 1.217 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.464 -1.993 1.452 1.00 0.00 C ATOM 0 H TRP A 39 -5.182 0.127 -3.469 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.454 1.642 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.759 0.801 -3.422 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.180 1.582 -1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.018 -1.747 -2.883 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.172 -3.620 -1.312 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.899 1.067 0.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.404 -3.821 0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.341 -0.038 1.842 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.093 -2.454 2.254 1.00 0.00 H new ATOM 584 N THR A 40 -3.992 3.871 -2.196 1.00 0.00 N ATOM 585 CA THR A 40 -4.068 5.203 -2.781 1.00 0.00 C ATOM 586 C THR A 40 -2.836 6.029 -2.427 1.00 0.00 C ATOM 587 O THR A 40 -2.404 6.057 -1.275 1.00 0.00 O ATOM 588 CB THR A 40 -5.328 5.954 -2.309 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.376 5.978 -0.878 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.586 5.294 -2.854 1.00 0.00 C ATOM 0 H THR A 40 -3.554 3.839 -1.275 1.00 0.00 H new ATOM 0 HA THR A 40 -4.117 5.071 -3.862 1.00 0.00 H new ATOM 0 HB THR A 40 -5.280 6.975 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.818 5.257 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.463 5.841 -2.508 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.559 5.304 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.638 4.264 -2.501 1.00 0.00 H new ATOM 598 N LYS A 41 -2.274 6.702 -3.425 1.00 0.00 N ATOM 599 CA LYS A 41 -1.093 7.532 -3.220 1.00 0.00 C ATOM 600 C LYS A 41 -1.421 9.007 -3.427 1.00 0.00 C ATOM 601 O LYS A 41 -2.215 9.360 -4.297 1.00 0.00 O ATOM 602 CB LYS A 41 0.025 7.108 -4.176 1.00 0.00 C ATOM 603 CG LYS A 41 1.420 7.354 -3.627 1.00 0.00 C ATOM 604 CD LYS A 41 1.916 8.749 -3.968 1.00 0.00 C ATOM 605 CE LYS A 41 2.525 8.800 -5.360 1.00 0.00 C ATOM 606 NZ LYS A 41 1.491 9.019 -6.410 1.00 0.00 N ATOM 0 H LYS A 41 -2.618 6.689 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.757 7.394 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.085 6.048 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.087 7.649 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.414 7.223 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.108 6.613 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.088 9.456 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.658 9.062 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.263 9.601 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.054 7.868 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.898 9.579 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.169 8.101 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.683 9.530 -6.000 1.00 0.00 H new ATOM 620 N ASN A 42 -0.803 9.864 -2.621 1.00 0.00 N ATOM 621 CA ASN A 42 -1.029 11.302 -2.716 1.00 0.00 C ATOM 622 C ASN A 42 -2.507 11.606 -2.944 1.00 0.00 C ATOM 623 O ASN A 42 -2.855 12.503 -3.710 1.00 0.00 O ATOM 624 CB ASN A 42 -0.193 11.897 -3.851 1.00 0.00 C ATOM 625 CG ASN A 42 1.218 12.237 -3.414 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.423 12.873 -2.380 1.00 0.00 O ATOM 627 ND2 ASN A 42 2.200 11.813 -4.201 1.00 0.00 N ATOM 0 H ASN A 42 -0.142 9.588 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.724 11.756 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.153 11.189 -4.679 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.681 12.797 -4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.170 12.011 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.984 11.289 -5.049 1.00 0.00 H new ATOM 634 N GLY A 43 -3.371 10.852 -2.271 1.00 0.00 N ATOM 635 CA GLY A 43 -4.801 11.057 -2.414 1.00 0.00 C ATOM 636 C GLY A 43 -5.302 10.704 -3.800 1.00 0.00 C ATOM 637 O GLY A 43 -6.096 11.440 -4.387 1.00 0.00 O ATOM 0 H GLY A 43 -3.107 10.104 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.327 10.452 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.039 12.099 -2.200 1.00 0.00 H new ATOM 641 N LEU A 44 -4.837 9.577 -4.326 1.00 0.00 N ATOM 642 CA LEU A 44 -5.241 9.128 -5.654 1.00 0.00 C ATOM 643 C LEU A 44 -5.263 7.605 -5.731 1.00 0.00 C ATOM 644 O LEU A 44 -4.470 6.915 -5.090 1.00 0.00 O ATOM 645 CB LEU A 44 -4.293 9.690 -6.715 1.00 0.00 C ATOM 646 CG LEU A 44 -4.133 11.211 -6.733 1.00 0.00 C ATOM 647 CD1 LEU A 44 -2.840 11.603 -7.431 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.327 11.865 -7.412 1.00 0.00 C ATOM 0 H LEU A 44 -4.180 8.957 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.249 9.498 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.310 9.243 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.646 9.370 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.088 11.565 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.743 12.689 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.994 11.165 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.855 11.237 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.196 12.947 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.404 11.505 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.238 11.612 -6.869 1.00 0.00 H new ATOM 660 N PRO A 45 -6.191 7.066 -6.536 1.00 0.00 N ATOM 661 CA PRO A 45 -6.336 5.618 -6.718 1.00 0.00 C ATOM 662 C PRO A 45 -5.171 5.012 -7.493 1.00 0.00 C ATOM 663 O PRO A 45 -4.932 5.361 -8.649 1.00 0.00 O ATOM 664 CB PRO A 45 -7.634 5.490 -7.519 1.00 0.00 C ATOM 665 CG PRO A 45 -7.765 6.788 -8.239 1.00 0.00 C ATOM 666 CD PRO A 45 -7.169 7.828 -7.330 1.00 0.00 C ATOM 0 HA PRO A 45 -6.352 5.087 -5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.588 4.653 -8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.487 5.313 -6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.241 6.759 -9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.810 7.011 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.692 8.629 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.927 8.291 -6.698 1.00 0.00 H new ATOM 674 N VAL A 46 -4.448 4.101 -6.848 1.00 0.00 N ATOM 675 CA VAL A 46 -3.308 3.445 -7.477 1.00 0.00 C ATOM 676 C VAL A 46 -3.760 2.511 -8.595 1.00 0.00 C ATOM 677 O VAL A 46 -4.592 1.630 -8.381 1.00 0.00 O ATOM 678 CB VAL A 46 -2.487 2.641 -6.452 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.243 2.057 -7.103 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.116 3.516 -5.264 1.00 0.00 C ATOM 0 H VAL A 46 -4.632 3.801 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.681 4.232 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.099 1.815 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.676 1.492 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.536 1.395 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.625 2.864 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.536 2.932 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.522 4.363 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.024 3.881 -4.783 1.00 0.00 H new ATOM 690 N GLN A 47 -3.205 2.710 -9.786 1.00 0.00 N ATOM 691 CA GLN A 47 -3.551 1.885 -10.937 1.00 0.00 C ATOM 692 C GLN A 47 -2.702 0.618 -10.974 1.00 0.00 C ATOM 693 O GLN A 47 -1.474 0.685 -11.015 1.00 0.00 O ATOM 694 CB GLN A 47 -3.365 2.676 -12.233 1.00 0.00 C ATOM 695 CG GLN A 47 -4.410 3.761 -12.438 1.00 0.00 C ATOM 696 CD GLN A 47 -4.040 4.725 -13.549 1.00 0.00 C ATOM 697 OE1 GLN A 47 -2.925 4.690 -14.071 1.00 0.00 O ATOM 698 NE2 GLN A 47 -4.976 5.591 -13.917 1.00 0.00 N ATOM 0 H GLN A 47 -2.514 3.435 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.598 1.596 -10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.375 3.132 -12.232 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.398 1.987 -13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.369 3.297 -12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.539 4.316 -11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.886 5.584 -13.457 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.785 6.263 -14.660 1.00 0.00 H new ATOM 707 N GLU A 48 -3.366 -0.534 -10.960 1.00 0.00 N ATOM 708 CA GLU A 48 -2.670 -1.815 -10.991 1.00 0.00 C ATOM 709 C GLU A 48 -2.159 -2.122 -12.395 1.00 0.00 C ATOM 710 O GLU A 48 -2.773 -1.737 -13.389 1.00 0.00 O ATOM 711 CB GLU A 48 -3.599 -2.936 -10.518 1.00 0.00 C ATOM 712 CG GLU A 48 -3.611 -3.120 -9.010 1.00 0.00 C ATOM 713 CD GLU A 48 -4.610 -4.167 -8.558 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.348 -5.369 -8.770 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.656 -3.784 -7.992 1.00 0.00 O ATOM 0 H GLU A 48 -4.383 -0.606 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.815 -1.752 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.613 -2.724 -10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.294 -3.871 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.614 -3.406 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.847 -2.168 -8.534 1.00 0.00 H new ATOM 722 N SER A 49 -1.029 -2.819 -12.467 1.00 0.00 N ATOM 723 CA SER A 49 -0.431 -3.175 -13.749 1.00 0.00 C ATOM 724 C SER A 49 0.574 -4.311 -13.583 1.00 0.00 C ATOM 725 O SER A 49 1.062 -4.567 -12.482 1.00 0.00 O ATOM 726 CB SER A 49 0.256 -1.958 -14.370 1.00 0.00 C ATOM 727 OG SER A 49 0.728 -2.249 -15.675 1.00 0.00 O ATOM 0 H SER A 49 -0.510 -3.148 -11.653 1.00 0.00 H new ATOM 0 HA SER A 49 -1.227 -3.512 -14.413 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.443 -1.123 -14.411 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.089 -1.646 -13.740 1.00 0.00 H new ATOM 0 HG SER A 49 1.162 -1.454 -16.051 1.00 0.00 H new ATOM 733 N ASP A 50 0.878 -4.989 -14.684 1.00 0.00 N ATOM 734 CA ASP A 50 1.825 -6.098 -14.662 1.00 0.00 C ATOM 735 C ASP A 50 3.023 -5.771 -13.775 1.00 0.00 C ATOM 736 O ASP A 50 3.648 -6.666 -13.206 1.00 0.00 O ATOM 737 CB ASP A 50 2.298 -6.421 -16.080 1.00 0.00 C ATOM 738 CG ASP A 50 1.144 -6.608 -17.046 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.312 -5.685 -17.162 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.073 -7.679 -17.685 1.00 0.00 O ATOM 0 H ASP A 50 0.483 -4.790 -15.603 1.00 0.00 H new ATOM 0 HA ASP A 50 1.317 -6.970 -14.250 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.941 -5.617 -16.438 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.903 -7.328 -16.061 1.00 0.00 H new ATOM 745 N ARG A 51 3.338 -4.485 -13.664 1.00 0.00 N ATOM 746 CA ARG A 51 4.462 -4.041 -12.849 1.00 0.00 C ATOM 747 C ARG A 51 4.076 -3.988 -11.374 1.00 0.00 C ATOM 748 O ARG A 51 4.828 -4.436 -10.508 1.00 0.00 O ATOM 749 CB ARG A 51 4.942 -2.664 -13.312 1.00 0.00 C ATOM 750 CG ARG A 51 5.777 -2.705 -14.581 1.00 0.00 C ATOM 751 CD ARG A 51 5.633 -1.422 -15.384 1.00 0.00 C ATOM 752 NE ARG A 51 6.442 -0.338 -14.833 1.00 0.00 N ATOM 753 CZ ARG A 51 6.223 0.946 -15.090 1.00 0.00 C ATOM 754 NH1 ARG A 51 5.225 1.306 -15.886 1.00 0.00 N ATOM 755 NH2 ARG A 51 7.003 1.875 -14.551 1.00 0.00 N ATOM 0 H ARG A 51 2.830 -3.732 -14.128 1.00 0.00 H new ATOM 0 HA ARG A 51 5.272 -4.760 -12.969 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.076 -2.023 -13.478 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.529 -2.207 -12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.825 -2.859 -14.324 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.471 -3.554 -15.192 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.928 -1.606 -16.417 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.586 -1.120 -15.401 1.00 0.00 H new ATOM 0 HE ARG A 51 7.218 -0.581 -14.217 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.623 0.596 -16.303 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.059 2.293 -16.082 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.772 1.603 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.834 2.861 -14.749 1.00 0.00 H new ATOM 769 N LEU A 52 2.900 -3.436 -11.095 1.00 0.00 N ATOM 770 CA LEU A 52 2.414 -3.323 -9.724 1.00 0.00 C ATOM 771 C LEU A 52 1.517 -4.504 -9.366 1.00 0.00 C ATOM 772 O LEU A 52 0.375 -4.590 -9.819 1.00 0.00 O ATOM 773 CB LEU A 52 1.649 -2.012 -9.540 1.00 0.00 C ATOM 774 CG LEU A 52 1.488 -1.525 -8.099 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.381 -0.009 -8.057 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.270 -2.167 -7.452 1.00 0.00 C ATOM 0 H LEU A 52 2.266 -3.060 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 52 3.276 -3.330 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.158 -1.235 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.657 -2.129 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 52 2.372 -1.821 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.267 0.319 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.284 0.431 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.515 0.311 -8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.171 -1.809 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.624 -1.902 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.389 -3.250 -7.448 1.00 0.00 H new ATOM 788 N LYS A 53 2.039 -5.410 -8.547 1.00 0.00 N ATOM 789 CA LYS A 53 1.285 -6.584 -8.123 1.00 0.00 C ATOM 790 C LYS A 53 0.819 -6.440 -6.678 1.00 0.00 C ATOM 791 O LYS A 53 1.621 -6.186 -5.779 1.00 0.00 O ATOM 792 CB LYS A 53 2.139 -7.845 -8.271 1.00 0.00 C ATOM 793 CG LYS A 53 1.331 -9.096 -8.571 1.00 0.00 C ATOM 794 CD LYS A 53 1.997 -10.339 -8.005 1.00 0.00 C ATOM 795 CE LYS A 53 2.976 -10.948 -8.996 1.00 0.00 C ATOM 796 NZ LYS A 53 2.294 -11.411 -10.237 1.00 0.00 N ATOM 0 H LYS A 53 2.982 -5.354 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 53 0.406 -6.670 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.864 -7.691 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.705 -8.000 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.331 -8.994 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.213 -9.204 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.521 -10.084 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.236 -11.075 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.737 -10.212 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.490 -11.788 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.830 -12.199 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.332 -11.731 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.244 -10.627 -10.919 1.00 0.00 H new ATOM 810 N VAL A 54 -0.482 -6.604 -6.461 1.00 0.00 N ATOM 811 CA VAL A 54 -1.055 -6.494 -5.125 1.00 0.00 C ATOM 812 C VAL A 54 -1.506 -7.855 -4.607 1.00 0.00 C ATOM 813 O VAL A 54 -2.557 -8.363 -4.999 1.00 0.00 O ATOM 814 CB VAL A 54 -2.253 -5.526 -5.105 1.00 0.00 C ATOM 815 CG1 VAL A 54 -2.878 -5.479 -3.720 1.00 0.00 C ATOM 816 CG2 VAL A 54 -1.823 -4.137 -5.552 1.00 0.00 C ATOM 0 H VAL A 54 -1.160 -6.814 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.271 -6.103 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.005 -5.891 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.723 -4.790 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.224 -6.475 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.136 -5.138 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.682 -3.466 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.053 -3.760 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.426 -4.188 -6.566 1.00 0.00 H new ATOM 826 N VAL A 55 -0.705 -8.441 -3.723 1.00 0.00 N ATOM 827 CA VAL A 55 -1.022 -9.743 -3.149 1.00 0.00 C ATOM 828 C VAL A 55 -1.864 -9.597 -1.887 1.00 0.00 C ATOM 829 O VAL A 55 -1.647 -8.688 -1.086 1.00 0.00 O ATOM 830 CB VAL A 55 0.256 -10.534 -2.812 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.097 -11.904 -2.251 1.00 0.00 C ATOM 832 CG2 VAL A 55 1.141 -10.665 -4.041 1.00 0.00 C ATOM 0 H VAL A 55 0.169 -8.034 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.591 -10.290 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 55 0.811 -9.987 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.818 -12.449 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.688 -11.784 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.674 -12.462 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.039 -11.227 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.597 -11.190 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.422 -9.673 -4.394 1.00 0.00 H new ATOM 842 N GLN A 56 -2.826 -10.498 -1.716 1.00 0.00 N ATOM 843 CA GLN A 56 -3.702 -10.469 -0.550 1.00 0.00 C ATOM 844 C GLN A 56 -3.505 -11.713 0.310 1.00 0.00 C ATOM 845 O GLN A 56 -3.429 -12.830 -0.203 1.00 0.00 O ATOM 846 CB GLN A 56 -5.164 -10.362 -0.987 1.00 0.00 C ATOM 847 CG GLN A 56 -6.059 -9.695 0.045 1.00 0.00 C ATOM 848 CD GLN A 56 -7.487 -10.203 -0.007 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.032 -10.449 -1.083 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.102 -10.362 1.160 1.00 0.00 N ATOM 0 H GLN A 56 -3.019 -11.257 -2.370 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.444 -9.594 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.216 -9.799 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.546 -11.361 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.651 -9.869 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.054 -8.617 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.612 -10.146 2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.064 -10.700 1.188 1.00 0.00 H new ATOM 859 N LYS A 57 -3.423 -11.513 1.621 1.00 0.00 N ATOM 860 CA LYS A 57 -3.236 -12.618 2.553 1.00 0.00 C ATOM 861 C LYS A 57 -4.239 -12.538 3.700 1.00 0.00 C ATOM 862 O LYS A 57 -4.720 -11.459 4.042 1.00 0.00 O ATOM 863 CB LYS A 57 -1.810 -12.609 3.108 1.00 0.00 C ATOM 864 CG LYS A 57 -0.819 -13.379 2.252 1.00 0.00 C ATOM 865 CD LYS A 57 0.310 -13.957 3.088 1.00 0.00 C ATOM 866 CE LYS A 57 1.394 -12.922 3.352 1.00 0.00 C ATOM 867 NZ LYS A 57 2.402 -12.883 2.257 1.00 0.00 N ATOM 0 H LYS A 57 -3.483 -10.595 2.062 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.403 -13.549 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.472 -11.577 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.817 -13.034 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.336 -14.185 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.407 -12.719 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.087 -14.320 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.742 -14.815 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.938 -11.938 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.891 -13.149 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.216 -12.308 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.720 -13.850 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.975 -12.464 1.407 1.00 0.00 H new ATOM 881 N GLY A 58 -4.549 -13.688 4.291 1.00 0.00 N ATOM 882 CA GLY A 58 -5.492 -13.725 5.393 1.00 0.00 C ATOM 883 C GLY A 58 -5.301 -12.572 6.358 1.00 0.00 C ATOM 884 O GLY A 58 -4.234 -12.424 6.955 1.00 0.00 O ATOM 0 H GLY A 58 -4.164 -14.595 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.508 -13.700 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.381 -14.667 5.930 1.00 0.00 H new ATOM 888 N ARG A 59 -6.336 -11.753 6.511 1.00 0.00 N ATOM 889 CA ARG A 59 -6.276 -10.605 7.408 1.00 0.00 C ATOM 890 C ARG A 59 -4.966 -9.843 7.229 1.00 0.00 C ATOM 891 O ARG A 59 -4.383 -9.356 8.198 1.00 0.00 O ATOM 892 CB ARG A 59 -6.421 -11.059 8.861 1.00 0.00 C ATOM 893 CG ARG A 59 -5.380 -12.082 9.286 1.00 0.00 C ATOM 894 CD ARG A 59 -5.441 -12.351 10.782 1.00 0.00 C ATOM 895 NE ARG A 59 -4.167 -12.839 11.303 1.00 0.00 N ATOM 896 CZ ARG A 59 -3.840 -12.809 12.590 1.00 0.00 C ATOM 897 NH1 ARG A 59 -4.688 -12.317 13.482 1.00 0.00 N ATOM 898 NH2 ARG A 59 -2.661 -13.272 12.987 1.00 0.00 N ATOM 0 H ARG A 59 -7.226 -11.863 6.026 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.101 -9.937 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.350 -10.189 9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.415 -11.484 9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.539 -13.013 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.386 -11.723 9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.719 -11.435 11.304 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.221 -13.084 10.987 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.492 -13.224 10.643 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.595 -11.960 13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.434 -12.295 14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.006 -13.651 12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.410 -13.249 13.975 1.00 0.00 H new ATOM 912 N ILE A 60 -4.510 -9.745 5.985 1.00 0.00 N ATOM 913 CA ILE A 60 -3.270 -9.042 5.681 1.00 0.00 C ATOM 914 C ILE A 60 -3.247 -8.571 4.230 1.00 0.00 C ATOM 915 O ILE A 60 -3.658 -9.296 3.324 1.00 0.00 O ATOM 916 CB ILE A 60 -2.040 -9.933 5.938 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.941 -10.284 7.424 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.773 -9.235 5.468 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.728 -11.121 7.767 1.00 0.00 C ATOM 0 H ILE A 60 -4.980 -10.143 5.172 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.227 -8.177 6.343 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.153 -10.857 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.913 -9.363 8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.840 -10.822 7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.087 -9.877 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.846 -9.030 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.652 -8.297 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.722 -11.332 8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.764 -12.059 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.177 -10.576 7.500 1.00 0.00 H new ATOM 931 N HIS A 61 -2.762 -7.352 4.018 1.00 0.00 N ATOM 932 CA HIS A 61 -2.682 -6.784 2.676 1.00 0.00 C ATOM 933 C HIS A 61 -1.241 -6.435 2.318 1.00 0.00 C ATOM 934 O HIS A 61 -0.596 -5.638 3.000 1.00 0.00 O ATOM 935 CB HIS A 61 -3.562 -5.537 2.575 1.00 0.00 C ATOM 936 CG HIS A 61 -5.023 -5.819 2.742 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.845 -6.177 1.695 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.808 -5.797 3.845 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.074 -6.360 2.145 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.078 -6.136 3.447 1.00 0.00 N ATOM 0 H HIS A 61 -2.419 -6.739 4.757 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.041 -7.532 1.969 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.250 -4.820 3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.400 -5.066 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.494 -5.558 4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.929 -6.644 1.550 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.892 -6.204 4.058 1.00 0.00 H new ATOM 949 N LYS A 62 -0.741 -7.037 1.245 1.00 0.00 N ATOM 950 CA LYS A 62 0.624 -6.791 0.795 1.00 0.00 C ATOM 951 C LYS A 62 0.633 -6.147 -0.588 1.00 0.00 C ATOM 952 O LYS A 62 -0.167 -6.501 -1.454 1.00 0.00 O ATOM 953 CB LYS A 62 1.417 -8.099 0.765 1.00 0.00 C ATOM 954 CG LYS A 62 2.888 -7.912 0.432 1.00 0.00 C ATOM 955 CD LYS A 62 3.479 -9.159 -0.202 1.00 0.00 C ATOM 956 CE LYS A 62 3.842 -10.199 0.847 1.00 0.00 C ATOM 957 NZ LYS A 62 4.574 -11.353 0.255 1.00 0.00 N ATOM 0 H LYS A 62 -1.261 -7.700 0.670 1.00 0.00 H new ATOM 0 HA LYS A 62 1.094 -6.105 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.332 -8.588 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.969 -8.769 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.004 -7.068 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.439 -7.668 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.764 -9.585 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.368 -8.892 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.457 -9.737 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.934 -10.556 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.803 -12.039 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.978 -11.810 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.453 -11.017 -0.187 1.00 0.00 H new ATOM 971 N LEU A 63 1.544 -5.201 -0.789 1.00 0.00 N ATOM 972 CA LEU A 63 1.659 -4.508 -2.068 1.00 0.00 C ATOM 973 C LEU A 63 3.115 -4.182 -2.382 1.00 0.00 C ATOM 974 O LEU A 63 3.819 -3.588 -1.565 1.00 0.00 O ATOM 975 CB LEU A 63 0.829 -3.224 -2.050 1.00 0.00 C ATOM 976 CG LEU A 63 0.916 -2.351 -3.303 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.271 -1.403 -3.377 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.224 -1.574 -3.321 1.00 0.00 C ATOM 0 H LEU A 63 2.214 -4.896 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 63 1.278 -5.169 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.215 -3.492 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.139 -2.626 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 63 0.890 -3.001 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.192 -0.790 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.195 -1.979 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.278 -0.759 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.269 -0.958 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.280 -0.935 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.062 -2.271 -3.317 1.00 0.00 H new ATOM 990 N VAL A 64 3.560 -4.572 -3.572 1.00 0.00 N ATOM 991 CA VAL A 64 4.932 -4.318 -3.996 1.00 0.00 C ATOM 992 C VAL A 64 4.974 -3.742 -5.407 1.00 0.00 C ATOM 993 O VAL A 64 4.076 -3.986 -6.214 1.00 0.00 O ATOM 994 CB VAL A 64 5.780 -5.604 -3.953 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.844 -6.153 -2.536 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.220 -6.643 -4.912 1.00 0.00 C ATOM 0 H VAL A 64 2.991 -5.065 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 64 5.350 -3.592 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 64 6.795 -5.361 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.447 -7.061 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.295 -5.410 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.837 -6.382 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.831 -7.545 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.196 -6.885 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.232 -6.245 -5.927 1.00 0.00 H new ATOM 1006 N ILE A 65 6.021 -2.979 -5.697 1.00 0.00 N ATOM 1007 CA ILE A 65 6.180 -2.369 -7.012 1.00 0.00 C ATOM 1008 C ILE A 65 7.383 -2.953 -7.746 1.00 0.00 C ATOM 1009 O ILE A 65 8.424 -3.212 -7.145 1.00 0.00 O ATOM 1010 CB ILE A 65 6.349 -0.842 -6.908 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.135 -0.219 -6.215 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.546 -0.235 -8.289 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.277 1.266 -5.966 1.00 0.00 C ATOM 0 H ILE A 65 6.772 -2.768 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 65 5.272 -2.588 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 65 7.235 -0.629 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.249 -0.394 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.971 -0.725 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.664 0.845 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.438 -0.660 -8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.677 -0.454 -8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.380 1.640 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.143 1.447 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.410 1.783 -6.916 1.00 0.00 H new ATOM 1025 N ALA A 66 7.231 -3.156 -9.051 1.00 0.00 N ATOM 1026 CA ALA A 66 8.305 -3.705 -9.869 1.00 0.00 C ATOM 1027 C ALA A 66 9.575 -2.871 -9.739 1.00 0.00 C ATOM 1028 O ALA A 66 10.615 -3.370 -9.311 1.00 0.00 O ATOM 1029 CB ALA A 66 7.871 -3.786 -11.325 1.00 0.00 C ATOM 0 H ALA A 66 6.374 -2.948 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 66 8.524 -4.711 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.683 -4.198 -11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.996 -4.430 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.623 -2.788 -11.687 1.00 0.00 H new ATOM 1035 N ASN A 67 9.483 -1.599 -10.112 1.00 0.00 N ATOM 1036 CA ASN A 67 10.626 -0.696 -10.038 1.00 0.00 C ATOM 1037 C ASN A 67 10.271 0.569 -9.262 1.00 0.00 C ATOM 1038 O ASN A 67 9.402 1.338 -9.673 1.00 0.00 O ATOM 1039 CB ASN A 67 11.104 -0.328 -11.444 1.00 0.00 C ATOM 1040 CG ASN A 67 11.186 -1.534 -12.360 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.171 -2.017 -12.861 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.400 -2.025 -12.583 1.00 0.00 N ATOM 0 H ASN A 67 8.629 -1.170 -10.469 1.00 0.00 H new ATOM 0 HA ASN A 67 11.430 -1.210 -9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.424 0.407 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.085 0.144 -11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.519 -2.835 -13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.214 -1.592 -12.146 1.00 0.00 H new ATOM 1049 N ALA A 68 10.949 0.778 -8.139 1.00 0.00 N ATOM 1050 CA ALA A 68 10.707 1.950 -7.307 1.00 0.00 C ATOM 1051 C ALA A 68 11.054 3.234 -8.054 1.00 0.00 C ATOM 1052 O ALA A 68 12.219 3.628 -8.125 1.00 0.00 O ATOM 1053 CB ALA A 68 11.507 1.856 -6.016 1.00 0.00 C ATOM 0 H ALA A 68 11.671 0.151 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 68 9.645 1.978 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.316 2.738 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.209 0.963 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.570 1.800 -6.250 1.00 0.00 H new ATOM 1059 N LEU A 69 10.037 3.882 -8.610 1.00 0.00 N ATOM 1060 CA LEU A 69 10.234 5.122 -9.353 1.00 0.00 C ATOM 1061 C LEU A 69 10.077 6.335 -8.440 1.00 0.00 C ATOM 1062 O LEU A 69 9.334 6.295 -7.459 1.00 0.00 O ATOM 1063 CB LEU A 69 9.240 5.210 -10.512 1.00 0.00 C ATOM 1064 CG LEU A 69 9.397 4.158 -11.611 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.304 4.314 -12.657 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.772 4.260 -12.254 1.00 0.00 C ATOM 0 H LEU A 69 9.067 3.570 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 69 11.248 5.119 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.231 5.135 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.328 6.197 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 69 9.302 3.170 -11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.431 3.558 -13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.329 4.191 -12.186 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.368 5.306 -13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.866 3.504 -13.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.896 5.250 -12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.540 4.099 -11.498 1.00 0.00 H new ATOM 1078 N THR A 70 10.779 7.414 -8.771 1.00 0.00 N ATOM 1079 CA THR A 70 10.717 8.638 -7.983 1.00 0.00 C ATOM 1080 C THR A 70 9.280 8.972 -7.598 1.00 0.00 C ATOM 1081 O THR A 70 9.015 9.413 -6.481 1.00 0.00 O ATOM 1082 CB THR A 70 11.322 9.830 -8.748 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.506 9.418 -9.441 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.655 10.970 -7.798 1.00 0.00 C ATOM 0 H THR A 70 11.398 7.465 -9.580 1.00 0.00 H new ATOM 0 HA THR A 70 11.301 8.462 -7.079 1.00 0.00 H new ATOM 0 HB THR A 70 10.584 10.183 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.883 10.181 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.081 11.800 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.747 11.301 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.376 10.627 -7.056 1.00 0.00 H new ATOM 1092 N GLU A 71 8.358 8.757 -8.531 1.00 0.00 N ATOM 1093 CA GLU A 71 6.947 9.036 -8.288 1.00 0.00 C ATOM 1094 C GLU A 71 6.473 8.361 -7.004 1.00 0.00 C ATOM 1095 O GLU A 71 5.682 8.926 -6.248 1.00 0.00 O ATOM 1096 CB GLU A 71 6.099 8.562 -9.470 1.00 0.00 C ATOM 1097 CG GLU A 71 6.132 7.057 -9.677 1.00 0.00 C ATOM 1098 CD GLU A 71 5.076 6.333 -8.865 1.00 0.00 C ATOM 1099 OE1 GLU A 71 4.525 6.947 -7.928 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.801 5.153 -9.166 1.00 0.00 O ATOM 0 H GLU A 71 8.562 8.391 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 71 6.830 10.114 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.067 8.877 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.449 9.053 -10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.986 6.836 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.117 6.678 -9.405 1.00 0.00 H new ATOM 1107 N ASP A 72 6.960 7.148 -6.765 1.00 0.00 N ATOM 1108 CA ASP A 72 6.587 6.395 -5.573 1.00 0.00 C ATOM 1109 C ASP A 72 6.682 7.269 -4.327 1.00 0.00 C ATOM 1110 O ASP A 72 5.971 7.048 -3.347 1.00 0.00 O ATOM 1111 CB ASP A 72 7.485 5.166 -5.419 1.00 0.00 C ATOM 1112 CG ASP A 72 8.735 5.460 -4.614 1.00 0.00 C ATOM 1113 OD1 ASP A 72 8.626 5.597 -3.378 1.00 0.00 O ATOM 1114 OD2 ASP A 72 9.823 5.553 -5.221 1.00 0.00 O ATOM 0 H ASP A 72 7.614 6.665 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 72 5.553 6.068 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.923 4.368 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.769 4.801 -6.406 1.00 0.00 H new ATOM 1119 N GLU A 73 7.565 8.262 -4.371 1.00 0.00 N ATOM 1120 CA GLU A 73 7.753 9.167 -3.244 1.00 0.00 C ATOM 1121 C GLU A 73 6.487 9.977 -2.979 1.00 0.00 C ATOM 1122 O GLU A 73 5.915 10.570 -3.892 1.00 0.00 O ATOM 1123 CB GLU A 73 8.929 10.110 -3.510 1.00 0.00 C ATOM 1124 CG GLU A 73 9.648 10.557 -2.248 1.00 0.00 C ATOM 1125 CD GLU A 73 10.829 11.462 -2.539 1.00 0.00 C ATOM 1126 OE1 GLU A 73 10.875 12.042 -3.644 1.00 0.00 O ATOM 1127 OE2 GLU A 73 11.707 11.592 -1.660 1.00 0.00 O ATOM 0 H GLU A 73 8.161 8.460 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 73 7.970 8.566 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.642 9.612 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.566 10.989 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.945 11.080 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.993 9.680 -1.701 1.00 0.00 H new ATOM 1134 N GLY A 74 6.055 9.995 -1.722 1.00 0.00 N ATOM 1135 CA GLY A 74 4.860 10.733 -1.358 1.00 0.00 C ATOM 1136 C GLY A 74 4.229 10.221 -0.078 1.00 0.00 C ATOM 1137 O GLY A 74 4.845 10.267 0.987 1.00 0.00 O ATOM 0 H GLY A 74 6.512 9.511 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.110 11.787 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.135 10.666 -2.169 1.00 0.00 H new ATOM 1141 N ASP A 75 2.998 9.734 -0.181 1.00 0.00 N ATOM 1142 CA ASP A 75 2.283 9.212 0.977 1.00 0.00 C ATOM 1143 C ASP A 75 1.333 8.090 0.570 1.00 0.00 C ATOM 1144 O ASP A 75 0.389 8.308 -0.191 1.00 0.00 O ATOM 1145 CB ASP A 75 1.503 10.331 1.669 1.00 0.00 C ATOM 1146 CG ASP A 75 0.517 11.010 0.738 1.00 0.00 C ATOM 1147 OD1 ASP A 75 0.945 11.491 -0.331 1.00 0.00 O ATOM 1148 OD2 ASP A 75 -0.684 11.061 1.080 1.00 0.00 O ATOM 0 H ASP A 75 2.474 9.690 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 75 3.017 8.807 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.967 9.921 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.202 11.072 2.056 1.00 0.00 H new ATOM 1153 N TYR A 76 1.589 6.891 1.080 1.00 0.00 N ATOM 1154 CA TYR A 76 0.759 5.734 0.766 1.00 0.00 C ATOM 1155 C TYR A 76 -0.382 5.593 1.769 1.00 0.00 C ATOM 1156 O TYR A 76 -0.172 5.667 2.980 1.00 0.00 O ATOM 1157 CB TYR A 76 1.606 4.460 0.758 1.00 0.00 C ATOM 1158 CG TYR A 76 2.498 4.333 -0.456 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.685 5.050 -0.547 1.00 0.00 C ATOM 1160 CD2 TYR A 76 2.154 3.498 -1.512 1.00 0.00 C ATOM 1161 CE1 TYR A 76 4.504 4.938 -1.654 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.967 3.379 -2.622 1.00 0.00 C ATOM 1163 CZ TYR A 76 4.141 4.101 -2.689 1.00 0.00 C ATOM 1164 OH TYR A 76 4.953 3.986 -3.794 1.00 0.00 O ATOM 0 H TYR A 76 2.365 6.695 1.713 1.00 0.00 H new ATOM 0 HA TYR A 76 0.331 5.884 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.224 4.439 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.945 3.594 0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.972 5.706 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.235 2.932 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.423 5.502 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.685 2.724 -3.433 1.00 0.00 H new ATOM 0 HH TYR A 76 5.599 3.263 -3.652 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.591 5.390 1.255 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.766 5.238 2.105 1.00 0.00 C ATOM 1176 C VAL A 77 -3.614 4.050 1.662 1.00 0.00 C ATOM 1177 O VAL A 77 -3.850 3.853 0.469 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.636 6.508 2.092 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -4.895 6.302 2.920 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.843 7.702 2.602 1.00 0.00 C ATOM 0 H VAL A 77 -1.782 5.327 0.255 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.404 5.065 3.118 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.935 6.711 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.497 7.210 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.472 5.475 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.620 6.073 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.473 8.591 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.512 7.510 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.974 7.862 1.963 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.070 3.262 2.629 1.00 0.00 N ATOM 1191 CA PHE A 78 -4.891 2.093 2.339 1.00 0.00 C ATOM 1192 C PHE A 78 -6.366 2.385 2.602 1.00 0.00 C ATOM 1193 O PHE A 78 -6.704 3.208 3.452 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.438 0.901 3.186 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.355 -0.284 3.093 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.345 -1.098 1.971 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.227 -0.585 4.127 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.189 -2.189 1.883 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -7.073 -1.675 4.044 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.053 -2.479 2.921 1.00 0.00 C ATOM 0 H PHE A 78 -3.885 3.412 3.621 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.769 1.848 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.438 0.602 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.365 1.213 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.671 -0.877 1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.246 0.039 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.173 -2.815 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.749 -1.898 4.856 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.711 -3.332 2.855 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.238 1.705 1.865 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.676 1.891 2.019 1.00 0.00 C ATOM 1212 C ALA A 79 -9.433 0.608 1.691 1.00 0.00 C ATOM 1213 O ALA A 79 -9.514 0.185 0.537 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.158 3.032 1.135 1.00 0.00 C ATOM 0 H ALA A 79 -6.974 1.021 1.156 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.876 2.144 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.233 3.160 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.648 3.953 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.939 2.802 0.092 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.001 -0.026 2.727 1.00 0.00 N ATOM 1221 CA PRO A 80 -10.761 -1.270 2.573 1.00 0.00 C ATOM 1222 C PRO A 80 -12.087 -1.053 1.852 1.00 0.00 C ATOM 1223 O PRO A 80 -12.720 -0.007 1.997 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.004 -1.719 4.016 1.00 0.00 C ATOM 1225 CG PRO A 80 -10.946 -0.464 4.817 1.00 0.00 C ATOM 1226 CD PRO A 80 -9.945 0.421 4.128 1.00 0.00 C ATOM 0 HA PRO A 80 -10.226 -2.003 1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.971 -2.211 4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.247 -2.432 4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.924 0.015 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.643 -0.670 5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.207 1.475 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.946 0.301 4.548 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.503 -2.048 1.076 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.756 -1.967 0.334 1.00 0.00 C ATOM 1236 C ASP A 81 -14.942 -2.310 1.230 1.00 0.00 C ATOM 1237 O ASP A 81 -16.053 -2.530 0.749 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.722 -2.908 -0.871 1.00 0.00 C ATOM 1239 CG ASP A 81 -12.779 -2.427 -1.955 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -11.639 -2.042 -1.621 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -13.180 -2.435 -3.138 1.00 0.00 O ATOM 0 H ASP A 81 -11.991 -2.920 0.944 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.875 -0.942 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.417 -3.902 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.727 -3.002 -1.283 1.00 0.00 H new ATOM 1246 N ALA A 82 -14.697 -2.354 2.536 1.00 0.00 N ATOM 1247 CA ALA A 82 -15.744 -2.670 3.499 1.00 0.00 C ATOM 1248 C ALA A 82 -15.956 -1.518 4.476 1.00 0.00 C ATOM 1249 O ALA A 82 -17.052 -1.336 5.007 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.402 -3.947 4.252 1.00 0.00 C ATOM 0 H ALA A 82 -13.783 -2.175 2.951 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.673 -2.823 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.193 -4.170 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.308 -4.772 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.459 -3.815 4.783 1.00 0.00 H new ATOM 1256 N TYR A 83 -14.902 -0.745 4.710 1.00 0.00 N ATOM 1257 CA TYR A 83 -14.972 0.387 5.626 1.00 0.00 C ATOM 1258 C TYR A 83 -14.388 1.643 4.986 1.00 0.00 C ATOM 1259 O TYR A 83 -13.827 1.592 3.892 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.226 0.068 6.923 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.538 -1.303 7.479 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.026 -2.449 6.883 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.346 -1.453 8.599 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.309 -3.704 7.387 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -15.633 -2.703 9.111 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.113 -3.826 8.501 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.398 -5.073 9.007 1.00 0.00 O ATOM 0 H TYR A 83 -13.988 -0.882 4.278 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.022 0.572 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.154 0.143 6.743 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.477 0.820 7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.396 -2.357 6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.757 -0.577 9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.903 -4.584 6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.261 -2.801 9.984 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.976 -4.983 9.793 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.523 2.769 5.678 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.009 4.039 5.179 1.00 0.00 C ATOM 1279 C ASN A 84 -12.790 4.486 5.980 1.00 0.00 C ATOM 1280 O ASN A 84 -12.613 5.673 6.253 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.096 5.114 5.242 1.00 0.00 C ATOM 1282 CG ASN A 84 -15.792 5.154 6.589 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -16.439 4.188 6.995 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -15.661 6.275 7.289 1.00 0.00 N ATOM 0 H ASN A 84 -14.984 2.828 6.586 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.708 3.897 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.652 6.088 5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.833 4.928 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.106 6.361 8.203 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.115 7.050 6.913 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.950 3.525 6.354 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.747 3.819 7.123 1.00 0.00 C ATOM 1293 C VAL A 85 -9.582 4.175 6.206 1.00 0.00 C ATOM 1294 O VAL A 85 -9.595 3.860 5.015 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.342 2.626 8.009 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -10.021 1.410 7.153 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -9.158 2.995 8.890 1.00 0.00 C ATOM 0 H VAL A 85 -12.081 2.537 6.137 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.979 4.673 7.760 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.183 2.374 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.737 0.577 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.899 1.134 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.197 1.646 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.885 2.141 9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.311 3.274 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.428 3.835 9.530 1.00 0.00 H new ATOM 1307 N THR A 86 -8.573 4.834 6.768 1.00 0.00 N ATOM 1308 CA THR A 86 -7.400 5.234 6.001 1.00 0.00 C ATOM 1309 C THR A 86 -6.123 5.050 6.813 1.00 0.00 C ATOM 1310 O THR A 86 -5.977 5.619 7.896 1.00 0.00 O ATOM 1311 CB THR A 86 -7.500 6.702 5.548 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.866 7.533 6.655 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.521 6.856 4.431 1.00 0.00 C ATOM 0 H THR A 86 -8.545 5.102 7.752 1.00 0.00 H new ATOM 0 HA THR A 86 -7.363 4.592 5.121 1.00 0.00 H new ATOM 0 HB THR A 86 -6.525 7.010 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.437 7.199 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.574 7.902 4.128 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.223 6.246 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.499 6.531 4.785 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.201 4.253 6.285 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.934 3.995 6.961 1.00 0.00 C ATOM 1323 C LEU A 87 -2.801 4.785 6.315 1.00 0.00 C ATOM 1324 O LEU A 87 -2.299 4.435 5.246 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.613 2.500 6.930 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.571 1.591 7.700 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.951 1.607 7.062 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -4.026 0.171 7.761 1.00 0.00 C ATOM 0 H LEU A 87 -5.307 3.774 5.391 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.031 4.318 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.593 2.175 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.609 2.356 7.328 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.660 1.969 8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.619 0.954 7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.344 2.624 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.880 1.255 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.721 -0.462 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.907 -0.217 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.059 0.174 8.265 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.385 5.874 6.977 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.304 6.735 6.487 1.00 0.00 C ATOM 1342 C PRO A 88 0.057 6.052 6.558 1.00 0.00 C ATOM 1343 O PRO A 88 0.364 5.356 7.526 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.350 7.936 7.434 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.960 7.408 8.686 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.938 6.350 8.256 1.00 0.00 C ATOM 0 HA PRO A 88 -1.436 6.998 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.352 8.334 7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.945 8.748 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.199 6.991 9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.462 8.201 9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.007 5.545 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.942 6.757 8.133 1.00 0.00 H new ATOM 1354 N ALA A 89 0.871 6.256 5.527 1.00 0.00 N ATOM 1355 CA ALA A 89 2.201 5.662 5.474 1.00 0.00 C ATOM 1356 C ALA A 89 3.191 6.592 4.781 1.00 0.00 C ATOM 1357 O ALA A 89 2.899 7.149 3.723 1.00 0.00 O ATOM 1358 CB ALA A 89 2.151 4.317 4.763 1.00 0.00 C ATOM 0 H ALA A 89 0.632 6.828 4.717 1.00 0.00 H new ATOM 0 HA ALA A 89 2.543 5.507 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.151 3.885 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.483 3.645 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.783 4.456 3.746 1.00 0.00 H new ATOM 1364 N LYS A 90 4.362 6.757 5.385 1.00 0.00 N ATOM 1365 CA LYS A 90 5.397 7.620 4.827 1.00 0.00 C ATOM 1366 C LYS A 90 6.303 6.840 3.879 1.00 0.00 C ATOM 1367 O LYS A 90 6.535 5.646 4.069 1.00 0.00 O ATOM 1368 CB LYS A 90 6.230 8.243 5.949 1.00 0.00 C ATOM 1369 CG LYS A 90 5.683 9.569 6.449 1.00 0.00 C ATOM 1370 CD LYS A 90 6.458 10.074 7.654 1.00 0.00 C ATOM 1371 CE LYS A 90 5.676 11.133 8.416 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.854 12.487 7.822 1.00 0.00 N ATOM 0 H LYS A 90 4.619 6.304 6.262 1.00 0.00 H new ATOM 0 HA LYS A 90 4.908 8.414 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.282 7.543 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.250 8.391 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.731 10.308 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.632 9.453 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.685 9.240 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.411 10.489 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.618 10.873 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.002 11.147 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.306 13.181 8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.861 12.746 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.520 12.481 6.837 1.00 0.00 H new ATOM 1386 N VAL A 91 6.813 7.524 2.860 1.00 0.00 N ATOM 1387 CA VAL A 91 7.696 6.896 1.885 1.00 0.00 C ATOM 1388 C VAL A 91 8.812 7.845 1.462 1.00 0.00 C ATOM 1389 O VAL A 91 8.693 9.062 1.603 1.00 0.00 O ATOM 1390 CB VAL A 91 6.920 6.444 0.633 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.466 5.000 0.778 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.732 7.362 0.384 1.00 0.00 C ATOM 0 H VAL A 91 6.630 8.513 2.688 1.00 0.00 H new ATOM 0 HA VAL A 91 8.130 6.022 2.370 1.00 0.00 H new ATOM 0 HB VAL A 91 7.586 6.505 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.920 4.699 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.336 4.356 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.816 4.909 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.195 7.029 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.064 7.334 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.086 8.382 0.233 1.00 0.00 H new ATOM 1402 N HIS A 92 9.897 7.280 0.942 1.00 0.00 N ATOM 1403 CA HIS A 92 11.035 8.076 0.497 1.00 0.00 C ATOM 1404 C HIS A 92 11.832 7.335 -0.573 1.00 0.00 C ATOM 1405 O HIS A 92 12.124 6.147 -0.432 1.00 0.00 O ATOM 1406 CB HIS A 92 11.942 8.415 1.681 1.00 0.00 C ATOM 1407 CG HIS A 92 13.023 9.395 1.346 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.913 10.749 1.587 1.00 0.00 N ATOM 1409 CD2 HIS A 92 14.242 9.212 0.786 1.00 0.00 C ATOM 1410 CE1 HIS A 92 14.017 11.356 1.189 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.839 10.446 0.699 1.00 0.00 N ATOM 0 H HIS A 92 10.012 6.274 0.818 1.00 0.00 H new ATOM 0 HA HIS A 92 10.653 9.001 0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.334 8.820 2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.397 7.497 2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.666 8.271 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 92 14.214 12.416 1.253 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.767 10.630 0.318 1.00 0.00 H new ATOM 1420 N VAL A 93 12.179 8.043 -1.642 1.00 0.00 N ATOM 1421 CA VAL A 93 12.942 7.453 -2.736 1.00 0.00 C ATOM 1422 C VAL A 93 14.318 8.098 -2.857 1.00 0.00 C ATOM 1423 O VAL A 93 14.443 9.323 -2.850 1.00 0.00 O ATOM 1424 CB VAL A 93 12.200 7.595 -4.078 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.348 9.008 -4.623 1.00 0.00 C ATOM 1426 CG2 VAL A 93 12.713 6.572 -5.080 1.00 0.00 C ATOM 0 H VAL A 93 11.944 9.027 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 93 13.060 6.394 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 93 11.140 7.405 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.817 9.090 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.929 9.719 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.404 9.229 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.178 6.686 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.779 6.728 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.550 5.567 -4.690 1.00 0.00 H new ATOM 1436 N ILE A 94 15.348 7.266 -2.968 1.00 0.00 N ATOM 1437 CA ILE A 94 16.715 7.755 -3.092 1.00 0.00 C ATOM 1438 C ILE A 94 17.059 8.061 -4.546 1.00 0.00 C ATOM 1439 O ILE A 94 16.671 7.328 -5.454 1.00 0.00 O ATOM 1440 CB ILE A 94 17.730 6.737 -2.540 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.350 6.327 -1.115 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.135 7.319 -2.572 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.040 5.065 -0.645 1.00 0.00 C ATOM 0 H ILE A 94 15.261 6.250 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 94 16.777 8.671 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 94 17.711 5.849 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.596 7.141 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.271 6.183 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.841 6.587 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.403 7.566 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.169 8.221 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.724 4.835 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 94 17.774 4.238 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.120 5.212 -0.665 1.00 0.00 H new