USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 27 LYS NZ :NH3+ -175:sc= -0.684 (180deg=-1.72!) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.262 K(o=-0.95,f=-13!) USER MOD Set 2.1: A 24 THR OG1 : rot 36:sc= 0.373 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 30 GLN : amide:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : A 36 SER OG : rot -71:sc= 0.194 USER MOD Single : A 51 GLN : amide:sc= -0.0129 K(o=-0.013,f=-1.2!) USER MOD Single : A 55 ASN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 56 THR OG1 : rot -75:sc= 0.955 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 71 THR OG1 : rot -24:sc= 0.0854! USER MOD Single : A 74 ASN : amide:sc= -2.33! K(o=-2.3!,f=-1.6) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.0772 (180deg=-0.521) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0.982 (180deg=0.618) USER MOD Single : A 82 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -173:sc=-0.00056 (180deg=-0.057) USER MOD Single : A 89 MET CE :methyl 177:sc= -0.542 (180deg=-0.55) USER MOD Single : A 91 GLN : amide:sc= -0.653 K(o=-0.65,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0129 (180deg=-0.177) USER MOD Single : A 100 HIS : no HD1:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.9!) USER MOD Single : A 109 LYS NZ :NH3+ -153:sc= -0.647 (180deg=-2.03!) USER MOD Single : A 110 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.84) USER MOD Single : A 127 LYS NZ :NH3+ 169:sc= -0.0134 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 1.924 5.329 9.280 1.00 0.00 N ATOM 113 CA LYS A 22 0.695 4.823 8.683 1.00 0.00 C ATOM 114 C LYS A 22 -0.147 5.944 8.082 1.00 0.00 C ATOM 115 O LYS A 22 -0.292 7.009 8.682 1.00 0.00 O ATOM 116 CB LYS A 22 -0.131 4.078 9.737 1.00 0.00 C ATOM 117 CG LYS A 22 -0.431 4.912 10.977 1.00 0.00 C ATOM 118 CD LYS A 22 -1.311 4.165 11.967 1.00 0.00 C ATOM 119 CE LYS A 22 -2.712 3.954 11.422 1.00 0.00 C ATOM 120 NZ LYS A 22 -3.570 3.205 12.375 1.00 0.00 N ATOM 0 HA LYS A 22 0.978 4.143 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.071 3.756 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.404 3.177 10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.505 5.190 11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.924 5.838 10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.861 3.200 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.364 4.724 12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.167 4.921 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.657 3.410 10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.518 3.082 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.149 2.272 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.644 3.736 13.266 1.00 0.00 H new ATOM 134 N VAL A 23 -0.688 5.711 6.893 1.00 0.00 N ATOM 135 CA VAL A 23 -1.708 6.595 6.345 1.00 0.00 C ATOM 136 C VAL A 23 -2.914 5.771 5.930 1.00 0.00 C ATOM 137 O VAL A 23 -2.777 4.597 5.577 1.00 0.00 O ATOM 138 CB VAL A 23 -1.219 7.474 5.156 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.180 8.472 5.622 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.662 6.647 4.006 1.00 0.00 C ATOM 0 H VAL A 23 -0.440 4.924 6.294 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.972 7.296 7.137 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.094 8.006 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.149 9.076 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.614 9.119 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.674 7.940 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.336 7.311 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.186 6.059 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.436 5.978 3.630 1.00 0.00 H new ATOM 150 N THR A 24 -4.095 6.359 6.011 1.00 0.00 N ATOM 151 CA THR A 24 -5.307 5.640 5.681 1.00 0.00 C ATOM 152 C THR A 24 -6.048 6.338 4.549 1.00 0.00 C ATOM 153 O THR A 24 -6.322 7.540 4.598 1.00 0.00 O ATOM 154 CB THR A 24 -6.223 5.459 6.914 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.386 4.699 6.557 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.644 6.797 7.507 1.00 0.00 C ATOM 0 H THR A 24 -4.237 7.327 6.301 1.00 0.00 H new ATOM 0 HA THR A 24 -5.020 4.643 5.346 1.00 0.00 H new ATOM 0 HB THR A 24 -5.652 4.922 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.142 4.018 5.896 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.286 6.626 8.371 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.759 7.352 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.189 7.372 6.758 1.00 0.00 H new ATOM 164 N LEU A 25 -6.338 5.575 3.514 1.00 0.00 N ATOM 165 CA LEU A 25 -6.952 6.100 2.315 1.00 0.00 C ATOM 166 C LEU A 25 -8.112 5.207 1.911 1.00 0.00 C ATOM 167 O LEU A 25 -8.529 4.335 2.677 1.00 0.00 O ATOM 168 CB LEU A 25 -5.907 6.136 1.206 1.00 0.00 C ATOM 169 CG LEU A 25 -4.572 6.755 1.608 1.00 0.00 C ATOM 170 CD1 LEU A 25 -3.448 6.168 0.776 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.622 8.266 1.455 1.00 0.00 C ATOM 0 H LEU A 25 -6.154 4.572 3.483 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.328 7.107 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.730 5.118 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.312 6.695 0.362 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.380 6.524 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.501 6.619 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.402 5.091 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.631 6.372 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.662 8.693 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.832 8.520 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.407 8.671 2.093 1.00 0.00 H new ATOM 183 N GLN A 26 -8.614 5.404 0.707 1.00 0.00 N ATOM 184 CA GLN A 26 -9.702 4.603 0.198 1.00 0.00 C ATOM 185 C GLN A 26 -9.411 4.170 -1.214 1.00 0.00 C ATOM 186 O GLN A 26 -8.827 4.915 -1.997 1.00 0.00 O ATOM 187 CB GLN A 26 -11.025 5.360 0.268 1.00 0.00 C ATOM 188 CG GLN A 26 -11.572 5.455 1.676 1.00 0.00 C ATOM 189 CD GLN A 26 -12.808 6.324 1.778 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.989 7.267 1.006 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.664 6.014 2.735 1.00 0.00 N ATOM 0 H GLN A 26 -8.280 6.119 0.061 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.795 3.716 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.885 6.365 -0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.757 4.863 -0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.809 4.454 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.799 5.855 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.475 5.224 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.514 6.564 2.857 1.00 0.00 H new ATOM 200 N LYS A 27 -9.812 2.948 -1.505 1.00 0.00 N ATOM 201 CA LYS A 27 -9.583 2.324 -2.805 1.00 0.00 C ATOM 202 C LYS A 27 -9.987 3.240 -3.952 1.00 0.00 C ATOM 203 O LYS A 27 -10.888 4.074 -3.820 1.00 0.00 O ATOM 204 CB LYS A 27 -10.400 1.044 -2.935 1.00 0.00 C ATOM 205 CG LYS A 27 -10.231 0.054 -1.805 1.00 0.00 C ATOM 206 CD LYS A 27 -8.798 -0.385 -1.680 1.00 0.00 C ATOM 207 CE LYS A 27 -8.687 -1.719 -0.977 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.282 -2.821 -1.775 1.00 0.00 N ATOM 0 H LYS A 27 -10.310 2.351 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.515 2.113 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.454 1.311 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.130 0.553 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.559 0.506 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.867 -0.814 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.350 -0.456 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.233 0.366 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.638 -1.939 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.186 -1.662 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.261 -3.701 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.267 -2.585 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.736 -2.950 -2.651 1.00 0.00 H new ATOM 222 N ASP A 28 -9.340 3.051 -5.087 1.00 0.00 N ATOM 223 CA ASP A 28 -9.685 3.782 -6.292 1.00 0.00 C ATOM 224 C ASP A 28 -10.816 3.044 -7.008 1.00 0.00 C ATOM 225 O ASP A 28 -11.454 2.173 -6.416 1.00 0.00 O ATOM 226 CB ASP A 28 -8.462 3.913 -7.206 1.00 0.00 C ATOM 227 CG ASP A 28 -8.181 2.654 -7.998 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.306 1.550 -7.432 1.00 0.00 O ATOM 229 OD2 ASP A 28 -7.876 2.767 -9.207 1.00 0.00 O ATOM 0 H ASP A 28 -8.568 2.394 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.015 4.787 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.617 4.743 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.588 4.159 -6.602 1.00 0.00 H new ATOM 234 N ALA A 29 -11.061 3.367 -8.267 1.00 0.00 N ATOM 235 CA ALA A 29 -12.102 2.686 -9.027 1.00 0.00 C ATOM 236 C ALA A 29 -11.769 1.209 -9.240 1.00 0.00 C ATOM 237 O ALA A 29 -12.662 0.379 -9.415 1.00 0.00 O ATOM 238 CB ALA A 29 -12.311 3.378 -10.363 1.00 0.00 C ATOM 0 H ALA A 29 -10.559 4.090 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.025 2.736 -8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.091 2.861 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.611 4.412 -10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.382 3.358 -10.932 1.00 0.00 H new ATOM 244 N GLN A 30 -10.485 0.882 -9.198 1.00 0.00 N ATOM 245 CA GLN A 30 -10.024 -0.460 -9.454 1.00 0.00 C ATOM 246 C GLN A 30 -9.920 -1.260 -8.162 1.00 0.00 C ATOM 247 O GLN A 30 -9.437 -2.395 -8.165 1.00 0.00 O ATOM 248 CB GLN A 30 -8.672 -0.382 -10.114 1.00 0.00 C ATOM 249 CG GLN A 30 -8.639 -0.906 -11.537 1.00 0.00 C ATOM 250 CD GLN A 30 -7.229 -1.010 -12.078 1.00 0.00 C ATOM 251 OE1 GLN A 30 -6.696 -0.058 -12.649 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.615 -2.168 -11.903 1.00 0.00 N ATOM 0 H GLN A 30 -9.740 1.545 -8.985 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.738 -0.966 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.341 0.656 -10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.956 -0.945 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.112 -1.887 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.224 -0.247 -12.178 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.093 -2.931 -11.424 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.663 -2.298 -12.247 1.00 0.00 H new ATOM 261 N ASN A 31 -10.351 -0.641 -7.066 1.00 0.00 N ATOM 262 CA ASN A 31 -10.384 -1.290 -5.743 1.00 0.00 C ATOM 263 C ASN A 31 -8.969 -1.478 -5.194 1.00 0.00 C ATOM 264 O ASN A 31 -8.698 -2.349 -4.363 1.00 0.00 O ATOM 265 CB ASN A 31 -11.105 -2.638 -5.841 1.00 0.00 C ATOM 266 CG ASN A 31 -11.163 -3.415 -4.529 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.353 -2.848 -3.452 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.948 -4.721 -4.613 1.00 0.00 N ATOM 0 H ASN A 31 -10.688 0.322 -7.062 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.930 -0.646 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.122 -2.468 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.605 -3.251 -6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.936 -5.291 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.795 -5.155 -5.523 1.00 0.00 H new ATOM 275 N LEU A 32 -8.061 -0.654 -5.647 1.00 0.00 N ATOM 276 CA LEU A 32 -6.693 -0.736 -5.176 1.00 0.00 C ATOM 277 C LEU A 32 -6.171 0.625 -4.764 1.00 0.00 C ATOM 278 O LEU A 32 -6.939 1.584 -4.657 1.00 0.00 O ATOM 279 CB LEU A 32 -5.805 -1.387 -6.240 1.00 0.00 C ATOM 280 CG LEU A 32 -5.983 -0.878 -7.680 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.499 0.551 -7.845 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.256 -1.784 -8.654 1.00 0.00 C ATOM 0 H LEU A 32 -8.236 0.078 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.670 -1.366 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.764 -1.242 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.992 -2.461 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.051 -0.893 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.645 0.867 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.065 1.206 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.440 0.608 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.392 -1.410 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.193 -1.800 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.660 -2.794 -8.582 1.00 0.00 H new ATOM 294 N ILE A 33 -4.877 0.708 -4.509 1.00 0.00 N ATOM 295 CA ILE A 33 -4.298 1.931 -4.031 1.00 0.00 C ATOM 296 C ILE A 33 -3.498 2.621 -5.121 1.00 0.00 C ATOM 297 O ILE A 33 -3.268 3.826 -5.057 1.00 0.00 O ATOM 298 CB ILE A 33 -3.411 1.687 -2.803 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.458 0.214 -2.371 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.882 2.585 -1.676 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.485 -0.120 -1.262 1.00 0.00 C ATOM 0 H ILE A 33 -4.216 -0.060 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.120 2.583 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.377 1.921 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.469 -0.028 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.244 -0.417 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.260 2.422 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.806 3.627 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.919 2.353 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.572 -1.176 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.468 0.090 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.712 0.485 -0.384 1.00 0.00 H new ATOM 313 N GLY A 34 -3.086 1.860 -6.125 1.00 0.00 N ATOM 314 CA GLY A 34 -2.383 2.437 -7.250 1.00 0.00 C ATOM 315 C GLY A 34 -0.884 2.256 -7.165 1.00 0.00 C ATOM 316 O GLY A 34 -0.130 3.086 -7.673 1.00 0.00 O ATOM 0 H GLY A 34 -3.227 0.851 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.747 1.982 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.612 3.501 -7.308 1.00 0.00 H new ATOM 320 N ILE A 35 -0.444 1.176 -6.535 1.00 0.00 N ATOM 321 CA ILE A 35 0.983 0.953 -6.339 1.00 0.00 C ATOM 322 C ILE A 35 1.443 -0.385 -6.896 1.00 0.00 C ATOM 323 O ILE A 35 0.647 -1.198 -7.368 1.00 0.00 O ATOM 324 CB ILE A 35 1.389 1.039 -4.846 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.535 0.118 -3.969 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.304 2.465 -4.345 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.025 -1.310 -3.899 1.00 0.00 C ATOM 0 H ILE A 35 -1.047 0.447 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 35 1.477 1.753 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 35 2.423 0.702 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.501 0.527 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.487 0.120 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.594 2.500 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.975 3.096 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.282 2.828 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.362 -1.891 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.032 -1.742 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.035 -1.328 -3.489 1.00 0.00 H new ATOM 339 N SER A 36 2.742 -0.596 -6.825 1.00 0.00 N ATOM 340 CA SER A 36 3.349 -1.851 -7.210 1.00 0.00 C ATOM 341 C SER A 36 4.389 -2.260 -6.188 1.00 0.00 C ATOM 342 O SER A 36 5.289 -1.490 -5.865 1.00 0.00 O ATOM 343 CB SER A 36 3.972 -1.743 -8.599 1.00 0.00 C ATOM 344 OG SER A 36 2.961 -1.766 -9.583 1.00 0.00 O ATOM 0 H SER A 36 3.408 0.103 -6.497 1.00 0.00 H new ATOM 0 HA SER A 36 2.575 -2.617 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.547 -0.821 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.667 -2.567 -8.760 1.00 0.00 H new ATOM 0 HG SER A 36 2.579 -2.667 -9.639 1.00 0.00 H new ATOM 350 N ILE A 37 4.258 -3.469 -5.680 1.00 0.00 N ATOM 351 CA ILE A 37 5.145 -3.947 -4.625 1.00 0.00 C ATOM 352 C ILE A 37 6.274 -4.799 -5.201 1.00 0.00 C ATOM 353 O ILE A 37 6.108 -5.489 -6.210 1.00 0.00 O ATOM 354 CB ILE A 37 4.370 -4.744 -3.539 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.336 -3.846 -2.850 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.315 -5.343 -2.503 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.940 -2.667 -2.109 1.00 0.00 C ATOM 0 H ILE A 37 3.550 -4.141 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 37 5.580 -3.068 -4.150 1.00 0.00 H new ATOM 0 HB ILE A 37 3.854 -5.564 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.638 -3.472 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.759 -4.447 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.738 -5.893 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.012 -6.021 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.871 -4.544 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.145 -2.080 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.616 -3.031 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.493 -2.042 -2.810 1.00 0.00 H new ATOM 369 N GLY A 38 7.422 -4.710 -4.557 1.00 0.00 N ATOM 370 CA GLY A 38 8.582 -5.480 -4.941 1.00 0.00 C ATOM 371 C GLY A 38 9.381 -5.884 -3.722 1.00 0.00 C ATOM 372 O GLY A 38 9.220 -5.296 -2.650 1.00 0.00 O ATOM 0 H GLY A 38 7.573 -4.101 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.270 -6.369 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.207 -4.894 -5.614 1.00 0.00 H new ATOM 514 N ILE A 49 8.000 -0.226 -2.635 1.00 0.00 N ATOM 515 CA ILE A 49 7.036 0.085 -3.667 1.00 0.00 C ATOM 516 C ILE A 49 7.784 0.567 -4.915 1.00 0.00 C ATOM 517 O ILE A 49 8.541 1.539 -4.874 1.00 0.00 O ATOM 518 CB ILE A 49 6.009 1.128 -3.156 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.934 1.436 -4.198 1.00 0.00 C ATOM 520 CG2 ILE A 49 6.709 2.404 -2.732 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.256 2.622 -5.078 1.00 0.00 C ATOM 0 HA ILE A 49 6.468 -0.807 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 49 5.511 0.690 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.790 0.558 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.989 1.621 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.971 3.123 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.415 2.183 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.245 2.825 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.446 2.777 -5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.371 3.513 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.184 2.433 -5.618 1.00 0.00 H new ATOM 533 N VAL A 50 7.593 -0.146 -6.014 1.00 0.00 N ATOM 534 CA VAL A 50 8.386 0.065 -7.221 1.00 0.00 C ATOM 535 C VAL A 50 7.877 1.252 -8.035 1.00 0.00 C ATOM 536 O VAL A 50 8.659 1.959 -8.678 1.00 0.00 O ATOM 537 CB VAL A 50 8.389 -1.200 -8.108 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.321 -1.027 -9.299 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.782 -2.426 -7.295 1.00 0.00 C ATOM 0 H VAL A 50 6.891 -0.881 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 50 9.403 0.281 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 50 7.378 -1.348 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.305 -1.931 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.991 -0.179 -9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.336 -0.846 -8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.778 -3.306 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.780 -2.284 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.069 -2.567 -6.482 1.00 0.00 H new ATOM 549 N GLN A 51 6.574 1.488 -7.987 1.00 0.00 N ATOM 550 CA GLN A 51 5.967 2.538 -8.791 1.00 0.00 C ATOM 551 C GLN A 51 4.563 2.833 -8.295 1.00 0.00 C ATOM 552 O GLN A 51 3.893 1.963 -7.735 1.00 0.00 O ATOM 553 CB GLN A 51 5.918 2.151 -10.275 1.00 0.00 C ATOM 554 CG GLN A 51 4.614 1.519 -10.704 1.00 0.00 C ATOM 555 CD GLN A 51 4.691 0.927 -12.080 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.755 0.505 -12.537 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.566 0.874 -12.746 1.00 0.00 N ATOM 0 H GLN A 51 5.919 0.969 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 51 6.585 3.430 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.093 3.042 -10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.732 1.458 -10.486 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.339 0.741 -9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.824 2.269 -10.678 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.709 1.236 -12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.546 0.471 -13.683 1.00 0.00 H new ATOM 566 N VAL A 52 4.138 4.056 -8.507 1.00 0.00 N ATOM 567 CA VAL A 52 2.821 4.506 -8.096 1.00 0.00 C ATOM 568 C VAL A 52 2.254 5.441 -9.157 1.00 0.00 C ATOM 569 O VAL A 52 2.999 5.964 -9.990 1.00 0.00 O ATOM 570 CB VAL A 52 2.863 5.238 -6.735 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.500 6.612 -6.869 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.474 5.345 -6.128 1.00 0.00 C ATOM 0 H VAL A 52 4.695 4.773 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 52 2.185 3.628 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 52 3.481 4.645 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.515 7.102 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.520 6.506 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.922 7.214 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.534 5.864 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.824 5.902 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.066 4.346 -5.974 1.00 0.00 H new ATOM 582 N PHE A 53 0.954 5.641 -9.134 1.00 0.00 N ATOM 583 CA PHE A 53 0.313 6.591 -10.004 1.00 0.00 C ATOM 584 C PHE A 53 -0.191 7.744 -9.150 1.00 0.00 C ATOM 585 O PHE A 53 -0.955 7.558 -8.214 1.00 0.00 O ATOM 586 CB PHE A 53 -0.812 5.934 -10.803 1.00 0.00 C ATOM 587 CG PHE A 53 -0.331 4.880 -11.762 1.00 0.00 C ATOM 588 CD1 PHE A 53 -0.113 3.577 -11.337 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.091 5.195 -13.090 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.334 2.611 -12.220 1.00 0.00 C ATOM 591 CE2 PHE A 53 0.356 4.232 -13.975 1.00 0.00 C ATOM 592 CZ PHE A 53 0.569 2.940 -13.539 1.00 0.00 C ATOM 0 H PHE A 53 0.316 5.147 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 53 1.023 6.970 -10.739 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.525 5.486 -10.111 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.348 6.703 -11.359 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.294 3.314 -10.305 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.255 6.204 -13.437 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.499 1.600 -11.877 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.539 4.491 -15.008 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.919 2.187 -14.230 1.00 0.00 H new ATOM 602 N ASP A 54 0.252 8.921 -9.506 1.00 0.00 N ATOM 603 CA ASP A 54 0.181 10.125 -8.653 1.00 0.00 C ATOM 604 C ASP A 54 -1.244 10.506 -8.235 1.00 0.00 C ATOM 605 O ASP A 54 -1.446 11.222 -7.256 1.00 0.00 O ATOM 606 CB ASP A 54 0.834 11.300 -9.381 1.00 0.00 C ATOM 607 CG ASP A 54 0.966 12.533 -8.508 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.842 12.545 -7.619 1.00 0.00 O ATOM 609 OD2 ASP A 54 0.199 13.499 -8.713 1.00 0.00 O ATOM 0 H ASP A 54 0.685 9.095 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 54 0.716 9.887 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.822 11.001 -9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.245 11.547 -10.264 1.00 0.00 H new ATOM 614 N ASN A 55 -2.218 10.018 -8.964 1.00 0.00 N ATOM 615 CA ASN A 55 -3.609 10.381 -8.745 1.00 0.00 C ATOM 616 C ASN A 55 -4.338 9.287 -7.996 1.00 0.00 C ATOM 617 O ASN A 55 -5.543 9.376 -7.773 1.00 0.00 O ATOM 618 CB ASN A 55 -4.322 10.665 -10.068 1.00 0.00 C ATOM 619 CG ASN A 55 -4.145 12.087 -10.546 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.040 12.656 -11.171 1.00 0.00 O ATOM 621 ND2 ASN A 55 -2.991 12.663 -10.275 1.00 0.00 N ATOM 0 H ASN A 55 -2.075 9.357 -9.728 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.619 11.290 -8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.945 9.983 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.386 10.457 -9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.812 13.618 -10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.277 12.154 -9.754 1.00 0.00 H new ATOM 628 N THR A 56 -3.616 8.247 -7.619 1.00 0.00 N ATOM 629 CA THR A 56 -4.213 7.166 -6.874 1.00 0.00 C ATOM 630 C THR A 56 -4.105 7.495 -5.407 1.00 0.00 C ATOM 631 O THR A 56 -3.212 8.254 -5.028 1.00 0.00 O ATOM 632 CB THR A 56 -3.510 5.832 -7.162 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.224 5.802 -6.530 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.335 5.654 -8.649 1.00 0.00 C ATOM 0 H THR A 56 -2.622 8.133 -7.817 1.00 0.00 H new ATOM 0 HA THR A 56 -5.256 7.057 -7.171 1.00 0.00 H new ATOM 0 HB THR A 56 -4.125 5.024 -6.766 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.600 6.368 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.836 4.705 -8.846 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.312 5.657 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.731 6.471 -9.045 1.00 0.00 H new ATOM 642 N PRO A 57 -4.998 6.978 -4.562 1.00 0.00 N ATOM 643 CA PRO A 57 -4.999 7.316 -3.143 1.00 0.00 C ATOM 644 C PRO A 57 -3.614 7.174 -2.535 1.00 0.00 C ATOM 645 O PRO A 57 -3.152 8.044 -1.793 1.00 0.00 O ATOM 646 CB PRO A 57 -5.972 6.305 -2.520 1.00 0.00 C ATOM 647 CG PRO A 57 -6.287 5.317 -3.601 1.00 0.00 C ATOM 648 CD PRO A 57 -6.064 6.029 -4.901 1.00 0.00 C ATOM 0 HA PRO A 57 -5.292 8.351 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.523 5.811 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.877 6.800 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.646 4.439 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.316 4.968 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.761 5.344 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.965 6.536 -5.246 1.00 0.00 H new ATOM 656 N ALA A 58 -2.950 6.084 -2.904 1.00 0.00 N ATOM 657 CA ALA A 58 -1.598 5.794 -2.447 1.00 0.00 C ATOM 658 C ALA A 58 -0.642 6.940 -2.732 1.00 0.00 C ATOM 659 O ALA A 58 0.092 7.379 -1.850 1.00 0.00 O ATOM 660 CB ALA A 58 -1.083 4.544 -3.120 1.00 0.00 C ATOM 0 H ALA A 58 -3.336 5.376 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.646 5.651 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.071 4.334 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.733 3.704 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.073 4.690 -4.200 1.00 0.00 H new ATOM 666 N ALA A 59 -0.624 7.417 -3.965 1.00 0.00 N ATOM 667 CA ALA A 59 0.272 8.504 -4.308 1.00 0.00 C ATOM 668 C ALA A 59 -0.250 9.830 -3.779 1.00 0.00 C ATOM 669 O ALA A 59 0.457 10.541 -3.064 1.00 0.00 O ATOM 670 CB ALA A 59 0.459 8.592 -5.803 1.00 0.00 C ATOM 0 H ALA A 59 -1.207 7.077 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 59 1.235 8.296 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.135 9.414 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.882 7.658 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.505 8.767 -6.281 1.00 0.00 H new ATOM 676 N LEU A 60 -1.493 10.143 -4.133 1.00 0.00 N ATOM 677 CA LEU A 60 -2.064 11.464 -3.879 1.00 0.00 C ATOM 678 C LEU A 60 -1.985 11.942 -2.420 1.00 0.00 C ATOM 679 O LEU A 60 -1.172 12.809 -2.094 1.00 0.00 O ATOM 680 CB LEU A 60 -3.480 11.533 -4.437 1.00 0.00 C ATOM 681 CG LEU A 60 -4.641 10.925 -3.677 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.283 12.008 -2.846 1.00 0.00 C ATOM 683 CD2 LEU A 60 -5.638 10.361 -4.660 1.00 0.00 C ATOM 0 H LEU A 60 -2.128 9.496 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.431 12.175 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.713 12.587 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.460 11.065 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.296 10.121 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.123 11.591 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.551 12.413 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.640 12.804 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.475 9.922 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.003 11.159 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.157 9.594 -5.267 1.00 0.00 H new ATOM 695 N ASP A 61 -2.809 11.400 -1.554 1.00 0.00 N ATOM 696 CA ASP A 61 -2.818 11.794 -0.150 1.00 0.00 C ATOM 697 C ASP A 61 -1.936 10.849 0.610 1.00 0.00 C ATOM 698 O ASP A 61 -1.522 11.099 1.741 1.00 0.00 O ATOM 699 CB ASP A 61 -4.246 11.762 0.407 1.00 0.00 C ATOM 700 CG ASP A 61 -4.336 12.225 1.852 1.00 0.00 C ATOM 701 OD1 ASP A 61 -3.980 13.386 2.138 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.787 11.435 2.711 1.00 0.00 O ATOM 0 H ASP A 61 -3.490 10.679 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.445 12.813 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.884 12.394 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.635 10.747 0.333 1.00 0.00 H new ATOM 707 N GLY A 62 -1.635 9.765 -0.065 1.00 0.00 N ATOM 708 CA GLY A 62 -0.953 8.654 0.587 1.00 0.00 C ATOM 709 C GLY A 62 0.500 8.947 0.896 1.00 0.00 C ATOM 710 O GLY A 62 0.956 8.788 2.030 1.00 0.00 O ATOM 0 H GLY A 62 -1.845 9.622 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.473 8.410 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.012 7.774 -0.053 1.00 0.00 H new ATOM 714 N THR A 63 1.207 9.392 -0.122 1.00 0.00 N ATOM 715 CA THR A 63 2.622 9.673 -0.052 1.00 0.00 C ATOM 716 C THR A 63 3.415 8.416 0.271 1.00 0.00 C ATOM 717 O THR A 63 4.286 8.393 1.141 1.00 0.00 O ATOM 718 CB THR A 63 2.943 10.790 0.937 1.00 0.00 C ATOM 719 OG1 THR A 63 1.806 11.653 1.101 1.00 0.00 O ATOM 720 CG2 THR A 63 4.093 11.582 0.380 1.00 0.00 C ATOM 0 H THR A 63 0.803 9.572 -1.041 1.00 0.00 H new ATOM 0 HA THR A 63 2.923 10.024 -1.039 1.00 0.00 H new ATOM 0 HB THR A 63 3.197 10.365 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.024 12.364 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.345 12.390 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.957 10.929 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.812 12.002 -0.586 1.00 0.00 H new ATOM 728 N VAL A 64 3.080 7.374 -0.456 1.00 0.00 N ATOM 729 CA VAL A 64 3.762 6.092 -0.377 1.00 0.00 C ATOM 730 C VAL A 64 4.233 5.714 -1.775 1.00 0.00 C ATOM 731 O VAL A 64 4.027 4.601 -2.258 1.00 0.00 O ATOM 732 CB VAL A 64 2.840 4.991 0.190 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.523 5.259 1.649 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.556 4.917 -0.607 1.00 0.00 C ATOM 0 H VAL A 64 2.315 7.389 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 64 4.610 6.181 0.301 1.00 0.00 H new ATOM 0 HB VAL A 64 3.362 4.037 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.872 4.472 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.448 5.276 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.021 6.222 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.917 4.136 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.039 5.875 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.786 4.686 -1.647 1.00 0.00 H new ATOM 744 N ALA A 65 4.879 6.672 -2.407 1.00 0.00 N ATOM 745 CA ALA A 65 5.204 6.591 -3.818 1.00 0.00 C ATOM 746 C ALA A 65 6.493 5.821 -4.072 1.00 0.00 C ATOM 747 O ALA A 65 7.141 5.347 -3.140 1.00 0.00 O ATOM 748 CB ALA A 65 5.303 7.991 -4.405 1.00 0.00 C ATOM 0 H ALA A 65 5.195 7.531 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 65 4.401 6.041 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.547 7.925 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.349 8.505 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.083 8.548 -3.887 1.00 0.00 H new ATOM 754 N ALA A 66 6.851 5.719 -5.348 1.00 0.00 N ATOM 755 CA ALA A 66 7.965 4.889 -5.798 1.00 0.00 C ATOM 756 C ALA A 66 9.225 5.098 -4.964 1.00 0.00 C ATOM 757 O ALA A 66 9.775 6.201 -4.909 1.00 0.00 O ATOM 758 CB ALA A 66 8.248 5.170 -7.264 1.00 0.00 C ATOM 0 H ALA A 66 6.375 6.212 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 66 7.673 3.847 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.080 4.550 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.362 4.940 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.506 6.222 -7.390 1.00 0.00 H new ATOM 764 N GLY A 67 9.666 4.036 -4.309 1.00 0.00 N ATOM 765 CA GLY A 67 10.896 4.091 -3.550 1.00 0.00 C ATOM 766 C GLY A 67 10.689 3.939 -2.060 1.00 0.00 C ATOM 767 O GLY A 67 11.634 3.649 -1.326 1.00 0.00 O ATOM 0 H GLY A 67 9.191 3.133 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.565 3.304 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.393 5.041 -3.745 1.00 0.00 H new ATOM 771 N ASP A 68 9.458 4.125 -1.605 1.00 0.00 N ATOM 772 CA ASP A 68 9.170 4.042 -0.183 1.00 0.00 C ATOM 773 C ASP A 68 8.997 2.593 0.250 1.00 0.00 C ATOM 774 O ASP A 68 8.709 1.717 -0.568 1.00 0.00 O ATOM 775 CB ASP A 68 7.925 4.857 0.168 1.00 0.00 C ATOM 776 CG ASP A 68 8.180 6.351 0.122 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.574 6.916 1.161 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.984 6.969 -0.939 1.00 0.00 O ATOM 0 H ASP A 68 8.651 4.332 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 68 10.018 4.463 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.123 4.607 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.582 4.580 1.165 1.00 0.00 H new ATOM 783 N GLU A 69 9.200 2.339 1.532 1.00 0.00 N ATOM 784 CA GLU A 69 9.060 0.997 2.070 1.00 0.00 C ATOM 785 C GLU A 69 7.715 0.855 2.778 1.00 0.00 C ATOM 786 O GLU A 69 7.379 1.652 3.659 1.00 0.00 O ATOM 787 CB GLU A 69 10.196 0.686 3.052 1.00 0.00 C ATOM 788 CG GLU A 69 11.589 0.998 2.524 1.00 0.00 C ATOM 789 CD GLU A 69 12.684 0.641 3.515 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.678 1.176 4.643 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.566 -0.173 3.167 1.00 0.00 O ATOM 0 H GLU A 69 9.462 3.045 2.220 1.00 0.00 H new ATOM 0 HA GLU A 69 9.109 0.289 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.033 1.253 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.150 -0.370 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.752 0.451 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.653 2.059 2.284 1.00 0.00 H new ATOM 798 N ILE A 70 6.933 -0.133 2.364 1.00 0.00 N ATOM 799 CA ILE A 70 5.703 -0.481 3.056 1.00 0.00 C ATOM 800 C ILE A 70 5.920 -1.783 3.815 1.00 0.00 C ATOM 801 O ILE A 70 5.862 -2.872 3.242 1.00 0.00 O ATOM 802 CB ILE A 70 4.496 -0.644 2.095 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.204 0.655 1.337 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.256 -1.081 2.865 1.00 0.00 C ATOM 805 CD1 ILE A 70 5.117 0.900 0.156 1.00 0.00 C ATOM 0 H ILE A 70 7.132 -0.710 1.547 1.00 0.00 H new ATOM 0 HA ILE A 70 5.464 0.338 3.734 1.00 0.00 H new ATOM 0 HB ILE A 70 4.757 -1.413 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.172 0.634 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.289 1.493 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.419 -1.190 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.449 -2.035 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.011 -0.330 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.844 1.839 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.150 0.955 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.015 0.083 -0.558 1.00 0.00 H new ATOM 817 N THR A 71 6.190 -1.664 5.102 1.00 0.00 N ATOM 818 CA THR A 71 6.541 -2.814 5.911 1.00 0.00 C ATOM 819 C THR A 71 5.311 -3.606 6.356 1.00 0.00 C ATOM 820 O THR A 71 5.440 -4.751 6.800 1.00 0.00 O ATOM 821 CB THR A 71 7.390 -2.405 7.139 1.00 0.00 C ATOM 822 OG1 THR A 71 7.583 -3.526 8.014 1.00 0.00 O ATOM 823 CG2 THR A 71 6.748 -1.254 7.904 1.00 0.00 C ATOM 0 H THR A 71 6.173 -0.779 5.610 1.00 0.00 H new ATOM 0 HA THR A 71 7.142 -3.465 5.276 1.00 0.00 H new ATOM 0 HB THR A 71 8.359 -2.069 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.863 -4.176 7.877 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.371 -0.993 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.653 -0.389 7.248 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.760 -1.555 8.253 1.00 0.00 H new ATOM 831 N GLY A 72 4.120 -3.025 6.239 1.00 0.00 N ATOM 832 CA GLY A 72 2.935 -3.764 6.621 1.00 0.00 C ATOM 833 C GLY A 72 1.652 -3.229 6.046 1.00 0.00 C ATOM 834 O GLY A 72 1.515 -2.039 5.761 1.00 0.00 O ATOM 0 H GLY A 72 3.958 -2.079 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.053 -4.802 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.858 -3.765 7.708 1.00 0.00 H new ATOM 838 N VAL A 73 0.707 -4.138 5.886 1.00 0.00 N ATOM 839 CA VAL A 73 -0.619 -3.813 5.422 1.00 0.00 C ATOM 840 C VAL A 73 -1.546 -3.739 6.611 1.00 0.00 C ATOM 841 O VAL A 73 -1.411 -4.516 7.548 1.00 0.00 O ATOM 842 CB VAL A 73 -1.165 -4.887 4.456 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.165 -5.195 3.377 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.521 -6.163 5.196 1.00 0.00 C ATOM 0 H VAL A 73 0.845 -5.130 6.078 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.566 -2.861 4.894 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.069 -4.483 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.572 -5.954 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.048 -4.289 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.755 -5.565 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.902 -6.899 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.632 -6.558 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.284 -5.949 5.944 1.00 0.00 H new ATOM 854 N ASN A 74 -2.452 -2.787 6.601 1.00 0.00 N ATOM 855 CA ASN A 74 -3.519 -2.737 7.590 1.00 0.00 C ATOM 856 C ASN A 74 -2.962 -2.668 9.021 1.00 0.00 C ATOM 857 O ASN A 74 -3.663 -2.968 9.990 1.00 0.00 O ATOM 858 CB ASN A 74 -4.414 -3.968 7.426 1.00 0.00 C ATOM 859 CG ASN A 74 -5.884 -3.645 7.603 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.249 -2.710 8.314 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.738 -4.418 6.953 1.00 0.00 N ATOM 0 H ASN A 74 -2.476 -2.031 5.917 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.102 -1.831 7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.257 -4.398 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.122 -4.725 8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.741 -4.249 7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.394 -5.183 6.373 1.00 0.00 H new ATOM 868 N GLY A 75 -1.697 -2.273 9.140 1.00 0.00 N ATOM 869 CA GLY A 75 -1.052 -2.188 10.437 1.00 0.00 C ATOM 870 C GLY A 75 -0.154 -3.379 10.741 1.00 0.00 C ATOM 871 O GLY A 75 0.737 -3.282 11.582 1.00 0.00 O ATOM 0 H GLY A 75 -1.104 -2.009 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.460 -1.274 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.816 -2.111 11.211 1.00 0.00 H new ATOM 875 N ARG A 76 -0.370 -4.494 10.049 1.00 0.00 N ATOM 876 CA ARG A 76 0.367 -5.708 10.288 1.00 0.00 C ATOM 877 C ARG A 76 1.397 -5.940 9.183 1.00 0.00 C ATOM 878 O ARG A 76 1.090 -5.797 8.002 1.00 0.00 O ATOM 879 CB ARG A 76 -0.622 -6.865 10.358 1.00 0.00 C ATOM 880 CG ARG A 76 -1.676 -6.843 9.266 1.00 0.00 C ATOM 881 CD ARG A 76 -2.777 -7.863 9.508 1.00 0.00 C ATOM 882 NE ARG A 76 -2.284 -9.240 9.491 1.00 0.00 N ATOM 883 CZ ARG A 76 -3.066 -10.307 9.315 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.367 -10.153 9.096 1.00 0.00 N ATOM 885 NH2 ARG A 76 -2.541 -11.526 9.353 1.00 0.00 N ATOM 0 H ARG A 76 -1.065 -4.570 9.307 1.00 0.00 H new ATOM 0 HA ARG A 76 0.911 -5.632 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.072 -7.804 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.118 -6.847 11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.113 -5.846 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.204 -7.042 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.248 -7.662 10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.547 -7.748 8.746 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.284 -9.394 9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.771 -9.217 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.962 -10.971 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.541 -11.646 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.137 -12.343 9.219 1.00 0.00 H new ATOM 899 N SER A 77 2.616 -6.290 9.581 1.00 0.00 N ATOM 900 CA SER A 77 3.722 -6.497 8.647 1.00 0.00 C ATOM 901 C SER A 77 3.342 -7.465 7.525 1.00 0.00 C ATOM 902 O SER A 77 2.711 -8.496 7.760 1.00 0.00 O ATOM 903 CB SER A 77 4.942 -7.026 9.404 1.00 0.00 C ATOM 904 OG SER A 77 5.289 -6.162 10.478 1.00 0.00 O ATOM 0 H SER A 77 2.867 -6.438 10.558 1.00 0.00 H new ATOM 0 HA SER A 77 3.960 -5.537 8.188 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.731 -8.024 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.786 -7.120 8.721 1.00 0.00 H new ATOM 0 HG SER A 77 6.070 -6.522 10.948 1.00 0.00 H new ATOM 910 N ILE A 78 3.764 -7.133 6.303 1.00 0.00 N ATOM 911 CA ILE A 78 3.409 -7.929 5.127 1.00 0.00 C ATOM 912 C ILE A 78 4.279 -9.175 5.090 1.00 0.00 C ATOM 913 O ILE A 78 4.019 -10.128 4.355 1.00 0.00 O ATOM 914 CB ILE A 78 3.609 -7.166 3.790 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.063 -7.248 3.292 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.200 -5.713 3.934 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.046 -6.395 4.073 1.00 0.00 C ATOM 0 H ILE A 78 4.349 -6.322 6.103 1.00 0.00 H new ATOM 0 HA ILE A 78 2.350 -8.171 5.219 1.00 0.00 H new ATOM 0 HB ILE A 78 2.971 -7.649 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.390 -8.287 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.092 -6.947 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.349 -5.197 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.149 -5.657 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.808 -5.238 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.045 -6.514 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.749 -5.348 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.051 -6.709 5.117 1.00 0.00 H new ATOM 929 N LYS A 79 5.313 -9.124 5.921 1.00 0.00 N ATOM 930 CA LYS A 79 6.370 -10.120 5.977 1.00 0.00 C ATOM 931 C LYS A 79 5.827 -11.510 6.310 1.00 0.00 C ATOM 932 O LYS A 79 6.520 -12.516 6.150 1.00 0.00 O ATOM 933 CB LYS A 79 7.383 -9.656 7.025 1.00 0.00 C ATOM 934 CG LYS A 79 8.584 -10.567 7.199 1.00 0.00 C ATOM 935 CD LYS A 79 9.521 -10.041 8.274 1.00 0.00 C ATOM 936 CE LYS A 79 10.856 -10.767 8.256 1.00 0.00 C ATOM 937 NZ LYS A 79 11.581 -10.555 6.977 1.00 0.00 N ATOM 0 H LYS A 79 5.441 -8.367 6.592 1.00 0.00 H new ATOM 0 HA LYS A 79 6.845 -10.210 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.736 -8.661 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.874 -9.562 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.248 -11.569 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.121 -10.650 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.684 -8.974 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.055 -10.158 9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.471 -10.417 9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.692 -11.834 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.594 -10.744 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.205 -11.200 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.453 -9.572 6.664 1.00 0.00 H new ATOM 951 N GLY A 80 4.584 -11.561 6.759 1.00 0.00 N ATOM 952 CA GLY A 80 3.950 -12.826 7.044 1.00 0.00 C ATOM 953 C GLY A 80 3.652 -13.628 5.788 1.00 0.00 C ATOM 954 O GLY A 80 3.538 -14.853 5.848 1.00 0.00 O ATOM 0 H GLY A 80 4.001 -10.742 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.595 -13.411 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.021 -12.648 7.586 1.00 0.00 H new ATOM 958 N LYS A 81 3.523 -12.953 4.647 1.00 0.00 N ATOM 959 CA LYS A 81 3.210 -13.642 3.402 1.00 0.00 C ATOM 960 C LYS A 81 3.945 -13.008 2.217 1.00 0.00 C ATOM 961 O LYS A 81 5.119 -12.651 2.332 1.00 0.00 O ATOM 962 CB LYS A 81 1.688 -13.681 3.164 1.00 0.00 C ATOM 963 CG LYS A 81 1.021 -12.319 3.032 1.00 0.00 C ATOM 964 CD LYS A 81 0.932 -11.588 4.358 1.00 0.00 C ATOM 965 CE LYS A 81 -0.027 -12.274 5.325 1.00 0.00 C ATOM 966 NZ LYS A 81 -1.362 -12.526 4.718 1.00 0.00 N ATOM 0 H LYS A 81 3.629 -11.942 4.561 1.00 0.00 H new ATOM 0 HA LYS A 81 3.560 -14.671 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.492 -14.254 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.220 -14.219 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.581 -11.711 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.019 -12.446 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.923 -11.532 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.602 -10.563 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.405 -13.220 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.146 -11.655 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.035 -12.802 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.699 -11.661 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.286 -13.291 4.018 1.00 0.00 H new ATOM 980 N THR A 82 3.256 -12.853 1.088 1.00 0.00 N ATOM 981 CA THR A 82 3.906 -12.448 -0.151 1.00 0.00 C ATOM 982 C THR A 82 3.058 -11.454 -0.929 1.00 0.00 C ATOM 983 O THR A 82 1.896 -11.223 -0.593 1.00 0.00 O ATOM 984 CB THR A 82 4.213 -13.663 -1.055 1.00 0.00 C ATOM 985 OG1 THR A 82 3.040 -14.472 -1.218 1.00 0.00 O ATOM 986 CG2 THR A 82 5.345 -14.504 -0.483 1.00 0.00 C ATOM 0 H THR A 82 2.250 -13.002 1.008 1.00 0.00 H new ATOM 0 HA THR A 82 4.843 -11.970 0.135 1.00 0.00 H new ATOM 0 HB THR A 82 4.526 -13.284 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.857 -14.954 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.537 -15.351 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.246 -13.895 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.064 -14.869 0.505 1.00 0.00 H new ATOM 994 N LYS A 83 3.650 -10.889 -1.970 1.00 0.00 N ATOM 995 CA LYS A 83 3.029 -9.847 -2.781 1.00 0.00 C ATOM 996 C LYS A 83 1.621 -10.217 -3.240 1.00 0.00 C ATOM 997 O LYS A 83 0.669 -9.466 -3.025 1.00 0.00 O ATOM 998 CB LYS A 83 3.899 -9.565 -4.001 1.00 0.00 C ATOM 999 CG LYS A 83 4.939 -10.641 -4.268 1.00 0.00 C ATOM 1000 CD LYS A 83 5.400 -10.636 -5.714 1.00 0.00 C ATOM 1001 CE LYS A 83 4.245 -10.915 -6.658 1.00 0.00 C ATOM 1002 NZ LYS A 83 4.716 -11.364 -7.986 1.00 0.00 N ATOM 0 H LYS A 83 4.588 -11.143 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 83 2.944 -8.959 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.259 -9.464 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.404 -8.609 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.797 -10.487 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.522 -11.618 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.844 -9.670 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.177 -11.387 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.598 -11.678 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.643 -10.014 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.898 -11.544 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.313 -10.626 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.269 -12.238 -7.881 1.00 0.00 H new ATOM 1016 N VAL A 84 1.493 -11.368 -3.880 1.00 0.00 N ATOM 1017 CA VAL A 84 0.226 -11.817 -4.401 1.00 0.00 C ATOM 1018 C VAL A 84 -0.840 -11.890 -3.298 1.00 0.00 C ATOM 1019 O VAL A 84 -2.012 -11.579 -3.522 1.00 0.00 O ATOM 1020 CB VAL A 84 0.409 -13.187 -5.079 1.00 0.00 C ATOM 1021 CG1 VAL A 84 1.048 -14.186 -4.129 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.909 -13.702 -5.583 1.00 0.00 C ATOM 0 H VAL A 84 2.266 -12.011 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.124 -11.095 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 84 1.079 -13.058 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.165 -15.145 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.026 -13.818 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.412 -14.313 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.763 -14.671 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.601 -13.809 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.321 -13.000 -6.308 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.411 -12.265 -2.106 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.306 -12.403 -0.971 1.00 0.00 C ATOM 1034 C GLU A 85 -1.610 -11.054 -0.322 1.00 0.00 C ATOM 1035 O GLU A 85 -2.721 -10.826 0.149 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.681 -13.338 0.053 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.246 -14.664 -0.538 1.00 0.00 C ATOM 1038 CD GLU A 85 0.339 -15.599 0.493 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -0.430 -16.353 1.126 1.00 0.00 O ATOM 1040 OE2 GLU A 85 1.574 -15.589 0.674 1.00 0.00 O ATOM 0 H GLU A 85 0.564 -12.482 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.248 -12.816 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.182 -12.848 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.398 -13.522 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.102 -15.143 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.492 -14.484 -1.319 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.626 -10.166 -0.290 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.805 -8.860 0.338 1.00 0.00 C ATOM 1049 C VAL A 86 -1.730 -7.967 -0.492 1.00 0.00 C ATOM 1050 O VAL A 86 -2.575 -7.260 0.056 1.00 0.00 O ATOM 1051 CB VAL A 86 0.537 -8.143 0.595 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.412 -8.963 1.523 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.290 -7.871 -0.682 1.00 0.00 C ATOM 0 H VAL A 86 0.300 -10.322 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.271 -9.045 1.306 1.00 0.00 H new ATOM 0 HB VAL A 86 0.297 -7.187 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.354 -8.440 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.900 -9.105 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.612 -9.934 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.228 -7.365 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.501 -8.813 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.687 -7.237 -1.332 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.556 -8.003 -1.809 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.504 -7.381 -2.742 1.00 0.00 C ATOM 1065 C ALA A 87 -3.919 -7.873 -2.451 1.00 0.00 C ATOM 1066 O ALA A 87 -4.879 -7.103 -2.489 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.126 -7.701 -4.179 1.00 0.00 C ATOM 0 H ALA A 87 -0.763 -8.458 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.467 -6.300 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.840 -7.232 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.126 -7.320 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.141 -8.781 -4.327 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.034 -9.164 -2.140 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.311 -9.756 -1.759 1.00 0.00 C ATOM 1075 C LYS A 88 -5.808 -9.156 -0.457 1.00 0.00 C ATOM 1076 O LYS A 88 -6.957 -8.756 -0.356 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.189 -11.260 -1.593 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.489 -11.916 -1.191 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.397 -13.419 -1.348 1.00 0.00 C ATOM 1080 CE LYS A 88 -7.695 -14.119 -0.976 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.016 -13.974 0.468 1.00 0.00 N ATOM 0 H LYS A 88 -3.253 -9.820 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.022 -9.542 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.842 -11.697 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.431 -11.477 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.724 -11.667 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.303 -11.530 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.140 -13.659 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.590 -13.799 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.511 -13.709 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.620 -15.177 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.841 -14.563 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.201 -14.280 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.231 -12.978 0.678 1.00 0.00 H new ATOM 1095 N MET A 89 -4.930 -9.121 0.538 1.00 0.00 N ATOM 1096 CA MET A 89 -5.231 -8.506 1.830 1.00 0.00 C ATOM 1097 C MET A 89 -5.792 -7.107 1.635 1.00 0.00 C ATOM 1098 O MET A 89 -6.752 -6.703 2.292 1.00 0.00 O ATOM 1099 CB MET A 89 -3.967 -8.436 2.681 1.00 0.00 C ATOM 1100 CG MET A 89 -3.415 -9.797 3.058 1.00 0.00 C ATOM 1101 SD MET A 89 -2.047 -9.690 4.227 1.00 0.00 S ATOM 1102 CE MET A 89 -2.914 -9.182 5.713 1.00 0.00 C ATOM 0 H MET A 89 -3.992 -9.516 0.475 1.00 0.00 H new ATOM 0 HA MET A 89 -5.976 -9.117 2.339 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.203 -7.881 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.182 -7.875 3.591 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.212 -10.401 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.079 -10.311 2.157 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.210 -9.124 6.543 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.368 -8.204 5.553 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.692 -9.909 5.947 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.184 -6.389 0.711 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.598 -5.044 0.371 1.00 0.00 C ATOM 1114 C ILE A 90 -6.944 -5.042 -0.363 1.00 0.00 C ATOM 1115 O ILE A 90 -7.840 -4.289 -0.007 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.488 -4.353 -0.454 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.304 -4.052 0.474 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.989 -3.083 -1.131 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -2.007 -3.762 -0.242 1.00 0.00 C ATOM 0 H ILE A 90 -4.385 -6.725 0.173 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.747 -4.476 1.289 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.172 -5.024 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.558 -3.197 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.155 -4.902 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.177 -2.629 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.810 -3.329 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.338 -2.381 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.225 -3.560 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.725 -4.624 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.134 -2.892 -0.887 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.107 -5.900 -1.364 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.373 -5.993 -2.087 1.00 0.00 C ATOM 1133 C GLN A 91 -9.499 -6.491 -1.185 1.00 0.00 C ATOM 1134 O GLN A 91 -10.653 -6.095 -1.350 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.229 -6.913 -3.289 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.458 -6.295 -4.437 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.234 -7.261 -5.586 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -6.214 -7.201 -6.273 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -8.194 -8.144 -5.822 1.00 0.00 N ATOM 0 H GLN A 91 -6.383 -6.539 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.631 -4.991 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.727 -7.829 -2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.221 -7.197 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.999 -5.422 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.493 -5.942 -4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.025 -8.164 -5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -8.102 -8.804 -6.594 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.148 -7.346 -0.234 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.103 -7.918 0.700 1.00 0.00 C ATOM 1150 C GLU A 92 -10.767 -6.829 1.523 1.00 0.00 C ATOM 1151 O GLU A 92 -11.988 -6.804 1.673 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.391 -8.920 1.612 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.180 -9.289 2.857 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.512 -10.373 3.674 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -9.700 -11.561 3.349 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -8.805 -10.044 4.648 1.00 0.00 O ATOM 0 H GLU A 92 -8.189 -7.662 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.880 -8.436 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.181 -9.827 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.430 -8.503 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.309 -8.401 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.176 -9.622 2.565 1.00 0.00 H new ATOM 1163 N VAL A 93 -9.950 -5.928 2.037 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.438 -4.784 2.810 1.00 0.00 C ATOM 1165 C VAL A 93 -11.043 -3.712 1.894 1.00 0.00 C ATOM 1166 O VAL A 93 -10.856 -2.510 2.104 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.310 -4.165 3.668 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.629 -5.245 4.484 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.294 -3.419 2.813 1.00 0.00 C ATOM 0 H VAL A 93 -8.936 -5.961 1.936 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.218 -5.155 3.475 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.762 -3.438 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.836 -4.801 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.359 -5.720 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.202 -5.992 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.518 -2.999 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.842 -4.109 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.794 -2.615 2.273 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.799 -4.166 0.901 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.370 -3.295 -0.116 1.00 0.00 C ATOM 1181 C LYS A 94 -13.003 -2.050 0.494 1.00 0.00 C ATOM 1182 O LYS A 94 -13.633 -2.094 1.549 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.397 -4.063 -0.956 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.488 -4.736 -0.136 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.368 -5.629 -0.997 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.199 -4.831 -1.989 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.191 -3.955 -1.314 1.00 0.00 N ATOM 0 H LYS A 94 -12.033 -5.151 0.779 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.557 -2.964 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.860 -3.375 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.878 -4.821 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.033 -5.329 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.102 -3.976 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.743 -6.340 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.030 -6.211 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.539 -4.221 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.718 -5.516 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.865 -3.588 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.705 -4.503 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.699 -3.160 -0.858 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.760 -0.931 -0.143 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.357 0.309 0.287 1.00 0.00 C ATOM 1203 C GLY A 95 -12.351 1.225 0.937 1.00 0.00 C ATOM 1204 O GLY A 95 -12.443 2.443 0.809 1.00 0.00 O ATOM 0 H GLY A 95 -12.154 -0.853 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.805 0.812 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.163 0.099 0.990 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.373 0.647 1.620 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.387 1.441 2.323 1.00 0.00 C ATOM 1210 C GLU A 96 -9.021 0.786 2.256 1.00 0.00 C ATOM 1211 O GLU A 96 -8.870 -0.315 1.728 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.783 1.613 3.782 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.723 0.313 4.544 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.997 0.478 6.021 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -12.174 0.669 6.393 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -10.038 0.413 6.819 1.00 0.00 O ATOM 0 H GLU A 96 -11.245 -0.362 1.700 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.342 2.417 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.121 2.340 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.793 2.019 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.448 -0.383 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.738 -0.134 4.411 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.047 1.477 2.811 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.667 0.996 2.888 1.00 0.00 C ATOM 1225 C VAL A 97 -5.968 1.605 4.099 1.00 0.00 C ATOM 1226 O VAL A 97 -6.306 2.710 4.537 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.812 1.342 1.633 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.505 0.951 0.344 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.452 2.816 1.602 1.00 0.00 C ATOM 0 H VAL A 97 -8.184 2.398 3.228 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.740 -0.089 2.962 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.896 0.757 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.871 1.212 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.690 -0.123 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.453 1.483 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.855 3.026 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.364 3.413 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.878 3.069 2.493 1.00 0.00 H new ATOM 1239 N THR A 98 -5.012 0.875 4.646 1.00 0.00 N ATOM 1240 CA THR A 98 -4.132 1.401 5.671 1.00 0.00 C ATOM 1241 C THR A 98 -2.718 0.872 5.443 1.00 0.00 C ATOM 1242 O THR A 98 -2.488 -0.336 5.472 1.00 0.00 O ATOM 1243 CB THR A 98 -4.614 1.018 7.084 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.974 1.429 7.260 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.745 1.668 8.151 1.00 0.00 C ATOM 0 H THR A 98 -4.825 -0.095 4.392 1.00 0.00 H new ATOM 0 HA THR A 98 -4.139 2.489 5.602 1.00 0.00 H new ATOM 0 HB THR A 98 -4.540 -0.064 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.277 1.182 8.159 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.106 1.382 9.139 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.714 1.336 8.032 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.792 2.752 8.048 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.783 1.771 5.187 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.410 1.381 4.897 1.00 0.00 C ATOM 1255 C ILE A 99 0.497 1.652 6.082 1.00 0.00 C ATOM 1256 O ILE A 99 0.496 2.751 6.633 1.00 0.00 O ATOM 1257 CB ILE A 99 0.191 2.100 3.658 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.418 3.493 3.434 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.048 1.249 2.406 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.797 3.484 2.799 1.00 0.00 C ATOM 0 H ILE A 99 -1.948 2.777 5.174 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.460 0.313 4.682 1.00 0.00 H new ATOM 0 HB ILE A 99 1.252 2.240 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.477 4.008 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.255 4.072 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.477 1.778 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.571 0.303 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.008 1.055 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.149 4.509 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.745 3.001 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.489 2.936 3.439 1.00 0.00 H new ATOM 1272 N HIS A 100 1.256 0.644 6.476 1.00 0.00 N ATOM 1273 CA HIS A 100 2.276 0.813 7.494 1.00 0.00 C ATOM 1274 C HIS A 100 3.619 0.926 6.800 1.00 0.00 C ATOM 1275 O HIS A 100 4.066 -0.017 6.148 1.00 0.00 O ATOM 1276 CB HIS A 100 2.301 -0.375 8.451 1.00 0.00 C ATOM 1277 CG HIS A 100 2.473 0.007 9.889 1.00 0.00 C ATOM 1278 ND1 HIS A 100 3.468 -0.505 10.693 1.00 0.00 N ATOM 1279 CD2 HIS A 100 1.756 0.843 10.674 1.00 0.00 C ATOM 1280 CE1 HIS A 100 3.356 0.001 11.906 1.00 0.00 C ATOM 1281 NE2 HIS A 100 2.325 0.824 11.922 1.00 0.00 N ATOM 0 H HIS A 100 1.184 -0.303 6.104 1.00 0.00 H new ATOM 0 HA HIS A 100 2.058 1.709 8.075 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.372 -0.936 8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.112 -1.044 8.163 1.00 0.00 H new ATOM 0 HD2 HIS A 100 0.894 1.420 10.373 1.00 0.00 H new ATOM 0 HE1 HIS A 100 4.000 -0.221 12.744 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.004 1.358 12.729 1.00 0.00 H new ATOM 1290 N TYR A 101 4.260 2.063 6.933 1.00 0.00 N ATOM 1291 CA TYR A 101 5.452 2.338 6.151 1.00 0.00 C ATOM 1292 C TYR A 101 6.672 2.593 7.021 1.00 0.00 C ATOM 1293 O TYR A 101 6.564 2.892 8.213 1.00 0.00 O ATOM 1294 CB TYR A 101 5.220 3.521 5.203 1.00 0.00 C ATOM 1295 CG TYR A 101 4.717 4.783 5.873 1.00 0.00 C ATOM 1296 CD1 TYR A 101 5.566 5.587 6.626 1.00 0.00 C ATOM 1297 CD2 TYR A 101 3.393 5.174 5.743 1.00 0.00 C ATOM 1298 CE1 TYR A 101 5.107 6.742 7.230 1.00 0.00 C ATOM 1299 CE2 TYR A 101 2.928 6.327 6.341 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.789 7.109 7.083 1.00 0.00 C ATOM 1301 OH TYR A 101 3.326 8.258 7.687 1.00 0.00 O ATOM 0 H TYR A 101 3.983 2.811 7.569 1.00 0.00 H new ATOM 0 HA TYR A 101 5.654 1.443 5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.155 3.747 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.502 3.221 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.602 5.304 6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 101 2.714 4.566 5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.779 7.353 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.894 6.616 6.229 1.00 0.00 H new ATOM 0 HH TYR A 101 2.374 8.374 7.484 1.00 0.00 H new ATOM 1311 N ASN A 102 7.825 2.455 6.392 1.00 0.00 N ATOM 1312 CA ASN A 102 9.110 2.715 6.997 1.00 0.00 C ATOM 1313 C ASN A 102 9.960 3.515 6.007 1.00 0.00 C ATOM 1314 O ASN A 102 9.825 3.345 4.796 1.00 0.00 O ATOM 1315 CB ASN A 102 9.805 1.401 7.399 1.00 0.00 C ATOM 1316 CG ASN A 102 9.676 0.266 6.390 1.00 0.00 C ATOM 1317 OD1 ASN A 102 8.654 0.095 5.729 1.00 0.00 O ATOM 1318 ND2 ASN A 102 10.724 -0.531 6.266 1.00 0.00 N ATOM 0 H ASN A 102 7.891 2.151 5.421 1.00 0.00 H new ATOM 0 HA ASN A 102 8.977 3.295 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.864 1.603 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.394 1.068 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.697 -1.311 5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.560 -0.366 6.827 1.00 0.00 H new ATOM 1393 N ASP A 107 15.781 3.152 -0.940 1.00 0.00 N ATOM 1394 CA ASP A 107 15.066 3.194 -2.207 1.00 0.00 C ATOM 1395 C ASP A 107 15.870 2.357 -3.166 1.00 0.00 C ATOM 1396 O ASP A 107 17.023 2.131 -2.872 1.00 0.00 O ATOM 1397 CB ASP A 107 14.974 4.663 -2.689 1.00 0.00 C ATOM 1398 CG ASP A 107 14.597 4.847 -4.153 1.00 0.00 C ATOM 1399 OD1 ASP A 107 15.460 4.629 -5.031 1.00 0.00 O ATOM 1400 OD2 ASP A 107 13.450 5.245 -4.435 1.00 0.00 O ATOM 0 HA ASP A 107 14.049 2.811 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.240 5.184 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.936 5.146 -2.515 1.00 0.00 H new ATOM 1405 N PRO A 108 15.298 1.841 -4.272 1.00 0.00 N ATOM 1406 CA PRO A 108 16.051 1.134 -5.313 1.00 0.00 C ATOM 1407 C PRO A 108 17.501 1.611 -5.462 1.00 0.00 C ATOM 1408 O PRO A 108 18.421 0.803 -5.603 1.00 0.00 O ATOM 1409 CB PRO A 108 15.241 1.505 -6.542 1.00 0.00 C ATOM 1410 CG PRO A 108 13.824 1.471 -6.065 1.00 0.00 C ATOM 1411 CD PRO A 108 13.858 1.855 -4.599 1.00 0.00 C ATOM 0 HA PRO A 108 16.155 0.068 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 108 15.513 2.492 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 108 15.405 0.799 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.206 2.165 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 108 13.393 0.478 -6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 108 13.418 2.838 -4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 108 13.300 1.147 -3.986 1.00 0.00 H new ATOM 1419 N LYS A 109 17.691 2.923 -5.395 1.00 0.00 N ATOM 1420 CA LYS A 109 19.022 3.530 -5.479 1.00 0.00 C ATOM 1421 C LYS A 109 19.918 3.094 -4.317 1.00 0.00 C ATOM 1422 O LYS A 109 21.051 2.671 -4.521 1.00 0.00 O ATOM 1423 CB LYS A 109 18.916 5.061 -5.491 1.00 0.00 C ATOM 1424 CG LYS A 109 18.190 5.642 -4.284 1.00 0.00 C ATOM 1425 CD LYS A 109 18.186 7.167 -4.283 1.00 0.00 C ATOM 1426 CE LYS A 109 17.036 7.750 -5.101 1.00 0.00 C ATOM 1427 NZ LYS A 109 17.168 7.489 -6.560 1.00 0.00 N ATOM 0 H LYS A 109 16.934 3.597 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 109 19.473 3.186 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 109 19.920 5.484 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 109 18.398 5.372 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 109 17.162 5.279 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 109 18.665 5.283 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 109 18.116 7.526 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 109 19.133 7.530 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.095 7.329 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.987 8.826 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.677 8.236 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 18.175 7.482 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.744 6.567 -6.787 1.00 0.00 H new ATOM 1441 N GLN A 110 19.398 3.204 -3.106 1.00 0.00 N ATOM 1442 CA GLN A 110 20.132 2.887 -1.899 1.00 0.00 C ATOM 1443 C GLN A 110 19.998 1.411 -1.564 1.00 0.00 C ATOM 1444 O GLN A 110 20.725 0.873 -0.732 1.00 0.00 O ATOM 1445 CB GLN A 110 19.579 3.731 -0.766 1.00 0.00 C ATOM 1446 CG GLN A 110 19.981 5.185 -0.833 1.00 0.00 C ATOM 1447 CD GLN A 110 21.483 5.379 -0.799 1.00 0.00 C ATOM 1448 OE1 GLN A 110 22.213 4.583 -0.207 1.00 0.00 O ATOM 1449 NE2 GLN A 110 21.956 6.440 -1.425 1.00 0.00 N ATOM 0 H GLN A 110 18.443 3.520 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 110 21.190 3.103 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.491 3.664 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 110 19.917 3.314 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 110 19.583 5.626 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.531 5.721 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 110 21.318 7.076 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 110 22.959 6.624 -1.430 1.00 0.00 H new ATOM 1458 N LEU A 111 19.061 0.776 -2.233 1.00 0.00 N ATOM 1459 CA LEU A 111 18.729 -0.611 -2.003 1.00 0.00 C ATOM 1460 C LEU A 111 19.804 -1.498 -2.623 1.00 0.00 C ATOM 1461 O LEU A 111 20.271 -2.453 -2.004 1.00 0.00 O ATOM 1462 CB LEU A 111 17.330 -0.885 -2.593 1.00 0.00 C ATOM 1463 CG LEU A 111 16.790 -2.321 -2.470 1.00 0.00 C ATOM 1464 CD1 LEU A 111 17.343 -3.206 -3.577 1.00 0.00 C ATOM 1465 CD2 LEU A 111 17.126 -2.911 -1.107 1.00 0.00 C ATOM 0 H LEU A 111 18.501 1.216 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 111 18.698 -0.837 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 111 16.621 -0.214 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 111 17.350 -0.620 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 111 15.706 -2.279 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 111 16.947 -4.215 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 111 17.049 -2.803 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.431 -3.234 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 111 16.734 -3.926 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 111 18.208 -2.931 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 111 16.677 -2.299 -0.325 1.00 0.00 H new ATOM 1477 N GLU A 112 20.214 -1.160 -3.837 1.00 0.00 N ATOM 1478 CA GLU A 112 21.300 -1.872 -4.494 1.00 0.00 C ATOM 1479 C GLU A 112 22.620 -1.588 -3.777 1.00 0.00 C ATOM 1480 O GLU A 112 23.516 -2.425 -3.747 1.00 0.00 O ATOM 1481 CB GLU A 112 21.400 -1.447 -5.953 1.00 0.00 C ATOM 1482 CG GLU A 112 21.559 0.049 -6.105 1.00 0.00 C ATOM 1483 CD GLU A 112 22.001 0.455 -7.493 1.00 0.00 C ATOM 1484 OE1 GLU A 112 23.194 0.277 -7.820 1.00 0.00 O ATOM 1485 OE2 GLU A 112 21.157 0.941 -8.274 1.00 0.00 O ATOM 0 H GLU A 112 19.812 -0.400 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 112 21.095 -2.942 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.248 -1.949 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.506 -1.771 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.611 0.535 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.287 0.408 -5.378 1.00 0.00 H new ATOM 1492 N VAL A 113 22.722 -0.391 -3.203 1.00 0.00 N ATOM 1493 CA VAL A 113 23.886 -0.006 -2.407 1.00 0.00 C ATOM 1494 C VAL A 113 23.905 -0.797 -1.108 1.00 0.00 C ATOM 1495 O VAL A 113 24.963 -1.107 -0.556 1.00 0.00 O ATOM 1496 CB VAL A 113 23.868 1.505 -2.086 1.00 0.00 C ATOM 1497 CG1 VAL A 113 25.038 1.901 -1.202 1.00 0.00 C ATOM 1498 CG2 VAL A 113 23.879 2.317 -3.366 1.00 0.00 C ATOM 0 H VAL A 113 22.008 0.333 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 113 24.781 -0.225 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 113 22.949 1.717 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 113 24.993 2.971 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 113 24.988 1.349 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 113 25.973 1.668 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 113 23.866 3.379 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 113 24.779 2.086 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 113 23.000 2.070 -3.961 1.00 0.00 H new ATOM 1508 N LEU A 114 22.715 -1.147 -0.649 1.00 0.00 N ATOM 1509 CA LEU A 114 22.549 -1.921 0.566 1.00 0.00 C ATOM 1510 C LEU A 114 22.965 -3.348 0.276 1.00 0.00 C ATOM 1511 O LEU A 114 23.437 -4.073 1.149 1.00 0.00 O ATOM 1512 CB LEU A 114 21.084 -1.847 1.028 1.00 0.00 C ATOM 1513 CG LEU A 114 20.777 -2.368 2.440 1.00 0.00 C ATOM 1514 CD1 LEU A 114 19.485 -1.751 2.950 1.00 0.00 C ATOM 1515 CD2 LEU A 114 20.655 -3.886 2.454 1.00 0.00 C ATOM 0 H LEU A 114 21.838 -0.902 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 114 23.170 -1.524 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 114 20.762 -0.807 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 114 20.475 -2.408 0.319 1.00 0.00 H new ATOM 0 HG LEU A 114 21.604 -2.083 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 114 19.274 -2.125 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 114 19.588 -0.666 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 114 18.666 -2.018 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 114 20.438 -4.224 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 114 19.848 -4.192 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 114 21.592 -4.329 2.117 1.00 0.00 H new ATOM 1527 N PHE A 115 22.823 -3.725 -0.983 1.00 0.00 N ATOM 1528 CA PHE A 115 23.165 -5.061 -1.419 1.00 0.00 C ATOM 1529 C PHE A 115 24.505 -5.031 -2.162 1.00 0.00 C ATOM 1530 O PHE A 115 24.716 -5.767 -3.129 1.00 0.00 O ATOM 1531 CB PHE A 115 22.044 -5.603 -2.307 1.00 0.00 C ATOM 1532 CG PHE A 115 21.997 -7.106 -2.388 1.00 0.00 C ATOM 1533 CD1 PHE A 115 21.385 -7.839 -1.383 1.00 0.00 C ATOM 1534 CD2 PHE A 115 22.557 -7.784 -3.457 1.00 0.00 C ATOM 1535 CE1 PHE A 115 21.335 -9.219 -1.445 1.00 0.00 C ATOM 1536 CE2 PHE A 115 22.509 -9.163 -3.524 1.00 0.00 C ATOM 1537 CZ PHE A 115 21.898 -9.881 -2.516 1.00 0.00 C ATOM 0 H PHE A 115 22.471 -3.118 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 115 23.272 -5.723 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 115 21.088 -5.240 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 115 22.164 -5.199 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 115 20.942 -7.326 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 115 23.037 -7.228 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 115 20.855 -9.778 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 115 22.949 -9.679 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 115 21.861 -10.959 -2.566 1.00 0.00 H new ATOM 1721 N LEU A 126 4.351 -6.846 -8.417 1.00 0.00 N ATOM 1722 CA LEU A 126 3.064 -6.762 -7.748 1.00 0.00 C ATOM 1723 C LEU A 126 2.336 -5.491 -8.165 1.00 0.00 C ATOM 1724 O LEU A 126 2.952 -4.559 -8.670 1.00 0.00 O ATOM 1725 CB LEU A 126 3.287 -6.763 -6.235 1.00 0.00 C ATOM 1726 CG LEU A 126 2.138 -7.204 -5.347 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.331 -6.013 -4.947 1.00 0.00 C ATOM 1728 CD2 LEU A 126 1.274 -8.273 -6.016 1.00 0.00 C ATOM 0 HA LEU A 126 2.453 -7.619 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.140 -7.408 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.570 -5.753 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 126 2.552 -7.666 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.506 -6.330 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.963 -5.312 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.935 -5.526 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.464 -8.559 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.856 -7.876 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.885 -9.147 -6.240 1.00 0.00 H new ATOM 1740 N LYS A 127 1.036 -5.458 -7.925 1.00 0.00 N ATOM 1741 CA LYS A 127 0.211 -4.312 -8.258 1.00 0.00 C ATOM 1742 C LYS A 127 -1.041 -4.285 -7.387 1.00 0.00 C ATOM 1743 O LYS A 127 -1.807 -5.248 -7.354 1.00 0.00 O ATOM 1744 CB LYS A 127 -0.185 -4.334 -9.742 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.903 -5.608 -10.176 1.00 0.00 C ATOM 1746 CD LYS A 127 -1.441 -5.494 -11.594 1.00 0.00 C ATOM 1747 CE LYS A 127 -2.149 -6.767 -12.032 1.00 0.00 C ATOM 1748 NZ LYS A 127 -3.348 -7.059 -11.201 1.00 0.00 N ATOM 0 H LYS A 127 0.523 -6.227 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 127 0.795 -3.411 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.829 -3.479 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.712 -4.211 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.216 -6.452 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.725 -5.814 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -2.133 -4.654 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.620 -5.280 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.447 -6.674 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.455 -7.605 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.900 -7.821 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.048 -7.357 -10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.935 -6.204 -11.126 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.217 -3.202 -6.655 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.457 -2.932 -5.965 1.00 0.00 C ATOM 1764 C VAL A 128 -2.567 -1.421 -5.728 1.00 0.00 C ATOM 1765 O VAL A 128 -2.929 -0.711 -6.673 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.636 -3.760 -4.662 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.648 -3.391 -3.580 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.060 -3.638 -4.174 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.259 -0.936 -4.639 1.00 0.00 O ATOM 0 H VAL A 128 -0.502 -2.486 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.282 -3.258 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.425 -4.801 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.828 -4.006 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.633 -3.561 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.769 -2.339 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.183 -4.220 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.287 -2.591 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.740 -4.015 -4.938 1.00 0.00 H new