USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 620 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 75 SER OG : rot 8:sc= 0.845 USER MOD Set 1.2: A 78 ASN : amide:sc= 0.867 X(o=1.7,f=1.5) USER MOD Set 2.1: A 72 ASN : amide:sc= 0.479 K(o=0.48,f=-3.1!) USER MOD Set 2.2: A 96 THR OG1 : rot 82:sc= 0.00102 USER MOD Single : A 11 THR OG1 : rot -19:sc= 0.179 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= -2.85! C(o=-2.8!,f=-4.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -97:sc= 1.54 USER MOD Single : A 59 CYS SG : rot -39:sc= -0.0596 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.351 K(o=-0.35,f=-3) USER MOD Single : A 79 MET CE :methyl -110:sc= -0.032 (180deg=-3.52!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 128:sc= 1.23 (180deg=0.158) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00121 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.625 -10.803 -9.275 1.00 0.00 N ATOM 114 CA THR A 11 -8.987 -9.802 -8.425 1.00 0.00 C ATOM 115 C THR A 11 -9.428 -8.399 -8.857 1.00 0.00 C ATOM 116 O THR A 11 -10.009 -8.224 -9.935 1.00 0.00 O ATOM 117 CB THR A 11 -7.451 -9.993 -8.448 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.914 -10.250 -9.735 1.00 0.00 O ATOM 119 CG2 THR A 11 -7.019 -11.196 -7.609 1.00 0.00 C ATOM 0 HA THR A 11 -9.302 -9.927 -7.389 1.00 0.00 H new ATOM 0 HB THR A 11 -7.079 -9.044 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.627 -10.564 -10.330 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.935 -11.297 -7.650 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.331 -11.049 -6.575 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.483 -12.100 -8.003 1.00 0.00 H new ATOM 127 N SER A 12 -9.144 -7.392 -8.036 1.00 0.00 N ATOM 128 CA SER A 12 -9.397 -5.998 -8.338 1.00 0.00 C ATOM 129 C SER A 12 -8.111 -5.225 -8.128 1.00 0.00 C ATOM 130 O SER A 12 -7.319 -5.583 -7.262 1.00 0.00 O ATOM 131 CB SER A 12 -10.476 -5.479 -7.392 1.00 0.00 C ATOM 132 OG SER A 12 -11.761 -5.942 -7.740 1.00 0.00 O ATOM 0 H SER A 12 -8.720 -7.533 -7.119 1.00 0.00 H new ATOM 0 HA SER A 12 -9.734 -5.879 -9.368 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.244 -5.791 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.470 -4.389 -7.401 1.00 0.00 H new ATOM 0 HG SER A 12 -12.419 -5.587 -7.107 1.00 0.00 H new ATOM 138 N ASP A 13 -7.946 -4.136 -8.873 1.00 0.00 N ATOM 139 CA ASP A 13 -6.810 -3.231 -8.763 1.00 0.00 C ATOM 140 C ASP A 13 -7.431 -1.881 -8.421 1.00 0.00 C ATOM 141 O ASP A 13 -7.851 -1.136 -9.313 1.00 0.00 O ATOM 142 CB ASP A 13 -6.031 -3.145 -10.094 1.00 0.00 C ATOM 143 CG ASP A 13 -5.461 -4.457 -10.614 1.00 0.00 C ATOM 144 OD1 ASP A 13 -4.295 -4.798 -10.290 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.163 -5.116 -11.413 1.00 0.00 O ATOM 0 H ASP A 13 -8.616 -3.853 -9.588 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.093 -3.567 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.693 -2.732 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.210 -2.439 -9.968 1.00 0.00 H new ATOM 150 N VAL A 14 -7.529 -1.556 -7.134 1.00 0.00 N ATOM 151 CA VAL A 14 -8.281 -0.386 -6.700 1.00 0.00 C ATOM 152 C VAL A 14 -7.301 0.770 -6.649 1.00 0.00 C ATOM 153 O VAL A 14 -6.587 0.918 -5.657 1.00 0.00 O ATOM 154 CB VAL A 14 -8.998 -0.635 -5.354 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.991 0.505 -5.088 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.771 -1.963 -5.369 1.00 0.00 C ATOM 0 H VAL A 14 -7.098 -2.086 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.085 -0.154 -7.398 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.240 -0.679 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.498 0.332 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.454 1.453 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.727 0.541 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.264 -2.108 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.520 -1.939 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.078 -2.785 -5.549 1.00 0.00 H new ATOM 166 N VAL A 15 -7.236 1.547 -7.733 1.00 0.00 N ATOM 167 CA VAL A 15 -6.435 2.754 -7.755 1.00 0.00 C ATOM 168 C VAL A 15 -7.182 3.837 -6.967 1.00 0.00 C ATOM 169 O VAL A 15 -8.390 4.022 -7.143 1.00 0.00 O ATOM 170 CB VAL A 15 -6.023 3.131 -9.193 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.175 3.641 -10.059 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.881 4.153 -9.187 1.00 0.00 C ATOM 0 H VAL A 15 -7.732 1.354 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.477 2.608 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.684 2.200 -9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.802 3.884 -11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.941 2.869 -10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.604 4.534 -9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.610 4.402 -10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.203 5.056 -8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.016 3.730 -8.676 1.00 0.00 H new ATOM 182 N ILE A 16 -6.486 4.559 -6.090 1.00 0.00 N ATOM 183 CA ILE A 16 -6.999 5.689 -5.326 1.00 0.00 C ATOM 184 C ILE A 16 -5.972 6.795 -5.505 1.00 0.00 C ATOM 185 O ILE A 16 -4.785 6.594 -5.243 1.00 0.00 O ATOM 186 CB ILE A 16 -7.229 5.318 -3.841 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.333 4.242 -3.729 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.650 6.541 -2.990 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.379 3.547 -2.371 1.00 0.00 C ATOM 0 H ILE A 16 -5.506 4.361 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.979 6.009 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.281 4.940 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.300 4.706 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.177 3.493 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.800 6.231 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.868 7.300 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.579 6.955 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.178 2.806 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.426 3.053 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.566 4.285 -1.591 1.00 0.00 H new ATOM 201 N HIS A 17 -6.443 7.956 -5.943 1.00 0.00 N ATOM 202 CA HIS A 17 -5.682 9.195 -5.935 1.00 0.00 C ATOM 203 C HIS A 17 -5.978 9.939 -4.629 1.00 0.00 C ATOM 204 O HIS A 17 -7.076 9.814 -4.081 1.00 0.00 O ATOM 205 CB HIS A 17 -6.112 10.044 -7.136 1.00 0.00 C ATOM 206 CG HIS A 17 -5.914 9.373 -8.474 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.751 9.369 -9.212 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.866 8.712 -9.204 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.990 8.699 -10.352 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.281 8.338 -10.418 1.00 0.00 N ATOM 0 H HIS A 17 -7.384 8.063 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.613 8.994 -6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.165 10.303 -7.025 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.551 10.979 -7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.883 8.515 -8.898 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.249 8.482 -11.107 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.746 7.880 -11.202 1.00 0.00 H new ATOM 218 N ARG A 18 -5.054 10.778 -4.163 1.00 0.00 N ATOM 219 CA ARG A 18 -5.278 11.742 -3.084 1.00 0.00 C ATOM 220 C ARG A 18 -4.575 13.036 -3.490 1.00 0.00 C ATOM 221 O ARG A 18 -4.029 13.111 -4.590 1.00 0.00 O ATOM 222 CB ARG A 18 -4.773 11.176 -1.751 1.00 0.00 C ATOM 223 CG ARG A 18 -3.244 11.165 -1.732 1.00 0.00 C ATOM 224 CD ARG A 18 -2.617 10.372 -0.600 1.00 0.00 C ATOM 225 NE ARG A 18 -1.452 11.091 -0.083 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.344 10.590 0.459 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.232 9.286 0.622 1.00 0.00 N ATOM 228 NH2 ARG A 18 0.650 11.387 0.835 1.00 0.00 N ATOM 0 H ARG A 18 -4.104 10.808 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.338 11.945 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.151 11.778 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.154 10.165 -1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.888 10.759 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.890 12.194 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.345 10.218 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.320 9.385 -0.955 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.494 12.108 -0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.991 8.669 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.614 8.895 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.570 12.396 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.493 10.990 1.249 1.00 0.00 H new ATOM 242 N LYS A 19 -4.583 14.054 -2.635 1.00 0.00 N ATOM 243 CA LYS A 19 -3.807 15.266 -2.864 1.00 0.00 C ATOM 244 C LYS A 19 -2.653 15.328 -1.868 1.00 0.00 C ATOM 245 O LYS A 19 -2.626 14.565 -0.904 1.00 0.00 O ATOM 246 CB LYS A 19 -4.706 16.497 -2.818 1.00 0.00 C ATOM 247 CG LYS A 19 -5.742 16.516 -3.960 1.00 0.00 C ATOM 248 CD LYS A 19 -7.086 15.874 -3.607 1.00 0.00 C ATOM 249 CE LYS A 19 -7.342 14.477 -4.183 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.772 14.128 -4.109 1.00 0.00 N ATOM 0 H LYS A 19 -5.124 14.062 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.372 15.247 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.226 16.528 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.090 17.395 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.915 17.550 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.322 16.000 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.163 15.816 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.882 16.536 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.009 14.441 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.756 13.740 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.918 13.178 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.081 14.141 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.327 14.819 -4.653 1.00 0.00 H new ATOM 264 N GLU A 20 -1.696 16.234 -2.072 1.00 0.00 N ATOM 265 CA GLU A 20 -0.544 16.329 -1.176 1.00 0.00 C ATOM 266 C GLU A 20 -0.899 17.000 0.151 1.00 0.00 C ATOM 267 O GLU A 20 -0.195 16.783 1.133 1.00 0.00 O ATOM 268 CB GLU A 20 0.636 17.026 -1.860 1.00 0.00 C ATOM 269 CG GLU A 20 1.380 16.037 -2.761 1.00 0.00 C ATOM 270 CD GLU A 20 2.764 16.527 -3.151 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.849 17.528 -3.890 1.00 0.00 O ATOM 272 OE2 GLU A 20 3.766 15.846 -2.848 1.00 0.00 O ATOM 0 H GLU A 20 -1.695 16.905 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.237 15.310 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.278 17.869 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.316 17.428 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.469 15.080 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.794 15.861 -3.663 1.00 0.00 H new ATOM 279 N ASN A 21 -2.007 17.748 0.214 1.00 0.00 N ATOM 280 CA ASN A 21 -2.498 18.385 1.440 1.00 0.00 C ATOM 281 C ASN A 21 -3.035 17.371 2.462 1.00 0.00 C ATOM 282 O ASN A 21 -3.496 17.774 3.530 1.00 0.00 O ATOM 283 CB ASN A 21 -3.606 19.404 1.094 1.00 0.00 C ATOM 284 CG ASN A 21 -3.047 20.620 0.370 1.00 0.00 C ATOM 285 OD1 ASN A 21 -2.318 21.414 0.960 1.00 0.00 O ATOM 286 ND2 ASN A 21 -3.309 20.776 -0.915 1.00 0.00 N ATOM 0 H ASN A 21 -2.596 17.930 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.648 18.890 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.360 18.924 0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.105 19.723 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.905 21.561 -1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.915 20.112 -1.396 1.00 0.00 H new ATOM 293 N GLU A 22 -3.063 16.079 2.134 1.00 0.00 N ATOM 294 CA GLU A 22 -3.815 15.044 2.834 1.00 0.00 C ATOM 295 C GLU A 22 -3.083 13.703 2.701 1.00 0.00 C ATOM 296 O GLU A 22 -2.034 13.611 2.050 1.00 0.00 O ATOM 297 CB GLU A 22 -5.249 15.002 2.264 1.00 0.00 C ATOM 298 CG GLU A 22 -5.263 14.805 0.742 1.00 0.00 C ATOM 299 CD GLU A 22 -6.650 14.814 0.129 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.507 15.657 0.499 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.836 14.046 -0.841 1.00 0.00 O ATOM 0 H GLU A 22 -2.539 15.712 1.339 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.888 15.262 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.803 14.192 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.764 15.930 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.668 15.592 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.779 13.858 0.505 1.00 0.00 H new ATOM 308 N GLY A 23 -3.616 12.663 3.338 1.00 0.00 N ATOM 309 CA GLY A 23 -3.188 11.281 3.192 1.00 0.00 C ATOM 310 C GLY A 23 -4.272 10.483 2.476 1.00 0.00 C ATOM 311 O GLY A 23 -5.255 11.038 1.976 1.00 0.00 O ATOM 0 H GLY A 23 -4.389 12.768 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.256 11.236 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.989 10.846 4.171 1.00 0.00 H new ATOM 315 N PHE A 24 -4.083 9.168 2.382 1.00 0.00 N ATOM 316 CA PHE A 24 -5.184 8.255 2.139 1.00 0.00 C ATOM 317 C PHE A 24 -5.930 8.133 3.480 1.00 0.00 C ATOM 318 O PHE A 24 -5.412 8.536 4.529 1.00 0.00 O ATOM 319 CB PHE A 24 -4.626 6.914 1.645 1.00 0.00 C ATOM 320 CG PHE A 24 -3.704 7.010 0.444 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.242 7.246 -0.833 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.313 6.830 0.591 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.401 7.317 -1.953 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.474 6.844 -0.538 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.015 7.138 -1.798 1.00 0.00 C ATOM 0 H PHE A 24 -3.173 8.716 2.472 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.871 8.604 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.085 6.439 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.461 6.260 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.308 7.373 -0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.890 6.681 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.817 7.509 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.420 6.630 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.363 7.227 -2.654 1.00 0.00 H new ATOM 335 N GLY A 25 -7.133 7.569 3.483 1.00 0.00 N ATOM 336 CA GLY A 25 -7.982 7.528 4.671 1.00 0.00 C ATOM 337 C GLY A 25 -8.545 6.146 4.952 1.00 0.00 C ATOM 338 O GLY A 25 -9.758 5.973 4.999 1.00 0.00 O ATOM 0 H GLY A 25 -7.548 7.127 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.406 7.862 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.806 8.231 4.546 1.00 0.00 H new ATOM 342 N PHE A 26 -7.681 5.161 5.172 1.00 0.00 N ATOM 343 CA PHE A 26 -8.043 3.806 5.554 1.00 0.00 C ATOM 344 C PHE A 26 -7.004 3.240 6.513 1.00 0.00 C ATOM 345 O PHE A 26 -5.879 3.741 6.594 1.00 0.00 O ATOM 346 CB PHE A 26 -8.198 2.935 4.297 1.00 0.00 C ATOM 347 CG PHE A 26 -6.921 2.627 3.545 1.00 0.00 C ATOM 348 CD1 PHE A 26 -6.222 3.677 2.931 1.00 0.00 C ATOM 349 CD2 PHE A 26 -6.465 1.304 3.386 1.00 0.00 C ATOM 350 CE1 PHE A 26 -5.092 3.405 2.163 1.00 0.00 C ATOM 351 CE2 PHE A 26 -5.334 1.033 2.590 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.648 2.090 1.960 1.00 0.00 C ATOM 0 H PHE A 26 -6.673 5.292 5.085 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.001 3.813 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.663 1.992 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.887 3.434 3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.560 4.695 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.984 0.494 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.547 4.223 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.993 0.016 2.463 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.793 1.891 1.330 1.00 0.00 H new ATOM 362 N VAL A 27 -7.378 2.181 7.224 1.00 0.00 N ATOM 363 CA VAL A 27 -6.579 1.535 8.250 1.00 0.00 C ATOM 364 C VAL A 27 -6.644 0.034 7.976 1.00 0.00 C ATOM 365 O VAL A 27 -7.742 -0.526 7.865 1.00 0.00 O ATOM 366 CB VAL A 27 -7.118 1.909 9.651 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.210 1.347 10.752 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.252 3.429 9.860 1.00 0.00 C ATOM 0 H VAL A 27 -8.285 1.734 7.092 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.539 1.862 8.228 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.113 1.468 9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.609 1.623 11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.169 0.261 10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.206 1.758 10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.635 3.626 10.861 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.275 3.899 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.941 3.839 9.121 1.00 0.00 H new ATOM 378 N ILE A 28 -5.488 -0.615 7.828 1.00 0.00 N ATOM 379 CA ILE A 28 -5.394 -2.061 7.701 1.00 0.00 C ATOM 380 C ILE A 28 -5.386 -2.642 9.121 1.00 0.00 C ATOM 381 O ILE A 28 -4.754 -2.086 10.021 1.00 0.00 O ATOM 382 CB ILE A 28 -4.141 -2.465 6.885 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.144 -1.893 5.444 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.034 -3.995 6.765 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.530 -0.494 5.324 1.00 0.00 C ATOM 0 H ILE A 28 -4.585 -0.142 7.793 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.244 -2.463 7.150 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.296 -2.049 7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.597 -2.575 4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.171 -1.860 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.146 -4.253 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.960 -4.434 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.920 -4.383 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.571 -0.167 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.090 0.204 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.492 -0.523 5.655 1.00 0.00 H new ATOM 397 N ILE A 29 -6.067 -3.766 9.321 1.00 0.00 N ATOM 398 CA ILE A 29 -6.089 -4.591 10.509 1.00 0.00 C ATOM 399 C ILE A 29 -5.875 -6.047 10.072 1.00 0.00 C ATOM 400 O ILE A 29 -5.715 -6.324 8.882 1.00 0.00 O ATOM 401 CB ILE A 29 -7.428 -4.380 11.249 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.666 -5.011 10.569 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.685 -2.888 11.516 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.918 -4.974 11.459 1.00 0.00 C ATOM 0 H ILE A 29 -6.666 -4.149 8.590 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.296 -4.322 11.207 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.301 -4.917 12.189 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.872 -4.483 9.638 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.443 -6.045 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.635 -2.770 12.038 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.880 -2.485 12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.723 -2.350 10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.754 -5.430 10.930 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.727 -5.526 12.379 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.162 -3.940 11.700 1.00 0.00 H new ATOM 616 N PRO A 44 -4.249 -11.849 7.260 1.00 0.00 N ATOM 617 CA PRO A 44 -3.329 -10.980 7.989 1.00 0.00 C ATOM 618 C PRO A 44 -3.512 -9.496 7.654 1.00 0.00 C ATOM 619 O PRO A 44 -3.069 -8.651 8.430 1.00 0.00 O ATOM 620 CB PRO A 44 -1.927 -11.441 7.585 1.00 0.00 C ATOM 621 CG PRO A 44 -2.132 -11.983 6.174 1.00 0.00 C ATOM 622 CD PRO A 44 -3.512 -12.627 6.272 1.00 0.00 C ATOM 0 HA PRO A 44 -3.511 -11.059 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.212 -10.618 7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.545 -12.207 8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.105 -11.191 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.364 -12.706 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.019 -12.613 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.435 -13.671 6.576 1.00 0.00 H new ATOM 630 N HIS A 45 -4.129 -9.147 6.521 1.00 0.00 N ATOM 631 CA HIS A 45 -4.390 -7.773 6.114 1.00 0.00 C ATOM 632 C HIS A 45 -5.814 -7.690 5.596 1.00 0.00 C ATOM 633 O HIS A 45 -6.171 -8.318 4.594 1.00 0.00 O ATOM 634 CB HIS A 45 -3.416 -7.297 5.030 1.00 0.00 C ATOM 635 CG HIS A 45 -2.105 -6.756 5.537 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.395 -7.188 6.629 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.378 -5.765 4.938 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.243 -6.504 6.665 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.191 -5.615 5.659 1.00 0.00 N ATOM 0 H HIS A 45 -4.468 -9.834 5.848 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.251 -7.123 6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.211 -8.130 4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.906 -6.523 4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.691 -7.902 7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.669 -5.200 4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.535 -6.647 7.400 1.00 0.00 H new ATOM 647 N LYS A 46 -6.619 -6.874 6.263 1.00 0.00 N ATOM 648 CA LYS A 46 -7.923 -6.459 5.781 1.00 0.00 C ATOM 649 C LYS A 46 -8.127 -4.988 6.100 1.00 0.00 C ATOM 650 O LYS A 46 -7.525 -4.484 7.046 1.00 0.00 O ATOM 651 CB LYS A 46 -9.043 -7.354 6.349 1.00 0.00 C ATOM 652 CG LYS A 46 -9.268 -7.252 7.859 1.00 0.00 C ATOM 653 CD LYS A 46 -10.438 -8.154 8.281 1.00 0.00 C ATOM 654 CE LYS A 46 -10.991 -7.682 9.626 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.240 -8.386 9.998 1.00 0.00 N ATOM 0 H LYS A 46 -6.377 -6.476 7.171 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.968 -6.580 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.975 -7.104 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.815 -8.391 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.363 -7.546 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.478 -6.218 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.222 -8.127 7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.104 -9.189 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.241 -7.842 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.180 -6.609 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.577 -8.033 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.965 -8.213 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.056 -9.407 10.066 1.00 0.00 H new ATOM 669 N ILE A 47 -8.971 -4.291 5.347 1.00 0.00 N ATOM 670 CA ILE A 47 -9.430 -2.961 5.695 1.00 0.00 C ATOM 671 C ILE A 47 -10.228 -3.132 6.989 1.00 0.00 C ATOM 672 O ILE A 47 -11.098 -4.006 7.039 1.00 0.00 O ATOM 673 CB ILE A 47 -10.319 -2.414 4.559 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.687 -2.466 3.153 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.812 -0.992 4.882 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.538 -1.484 2.918 1.00 0.00 C ATOM 0 H ILE A 47 -9.357 -4.641 4.470 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.612 -2.254 5.832 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.168 -3.097 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.322 -3.477 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.465 -2.273 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.437 -0.629 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.394 -1.009 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.955 -0.329 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.163 -1.599 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.896 -0.464 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.735 -1.688 3.626 1.00 0.00 H new ATOM 688 N GLY A 48 -9.955 -2.310 8.002 1.00 0.00 N ATOM 689 CA GLY A 48 -10.675 -2.303 9.269 1.00 0.00 C ATOM 690 C GLY A 48 -11.469 -1.025 9.506 1.00 0.00 C ATOM 691 O GLY A 48 -12.532 -1.087 10.123 1.00 0.00 O ATOM 0 H GLY A 48 -9.209 -1.615 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.355 -3.155 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.963 -2.436 10.084 1.00 0.00 H new ATOM 695 N ARG A 49 -10.993 0.126 9.028 1.00 0.00 N ATOM 696 CA ARG A 49 -11.706 1.399 9.096 1.00 0.00 C ATOM 697 C ARG A 49 -11.354 2.184 7.847 1.00 0.00 C ATOM 698 O ARG A 49 -10.227 2.073 7.358 1.00 0.00 O ATOM 699 CB ARG A 49 -11.298 2.153 10.383 1.00 0.00 C ATOM 700 CG ARG A 49 -11.884 3.572 10.517 1.00 0.00 C ATOM 701 CD ARG A 49 -11.280 4.346 11.697 1.00 0.00 C ATOM 702 NE ARG A 49 -11.840 3.960 13.003 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.616 4.727 13.784 1.00 0.00 C ATOM 704 NH1 ARG A 49 -13.171 5.847 13.331 1.00 0.00 N ATOM 705 NH2 ARG A 49 -12.831 4.363 15.042 1.00 0.00 N ATOM 0 H ARG A 49 -10.083 0.199 8.574 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.785 1.252 9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.609 1.564 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.211 2.220 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.706 4.124 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.964 3.505 10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.202 4.186 11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.442 5.413 11.542 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.618 3.025 13.345 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.011 6.142 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.757 6.411 13.947 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.408 3.509 15.405 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.419 4.938 15.646 1.00 0.00 H new ATOM 719 N ILE A 50 -12.292 2.996 7.376 1.00 0.00 N ATOM 720 CA ILE A 50 -12.097 4.013 6.360 1.00 0.00 C ATOM 721 C ILE A 50 -12.641 5.311 6.943 1.00 0.00 C ATOM 722 O ILE A 50 -13.772 5.336 7.422 1.00 0.00 O ATOM 723 CB ILE A 50 -12.767 3.544 5.053 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.723 2.685 4.313 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.252 4.692 4.153 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.287 1.901 3.136 1.00 0.00 C ATOM 0 H ILE A 50 -13.255 2.958 7.711 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.054 4.186 6.095 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.669 2.985 5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.923 3.333 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.275 1.987 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.711 4.281 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.984 5.293 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.405 5.318 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.490 1.323 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.067 1.226 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.709 2.593 2.407 1.00 0.00 H new ATOM 738 N ILE A 51 -11.816 6.357 6.950 1.00 0.00 N ATOM 739 CA ILE A 51 -12.164 7.698 7.374 1.00 0.00 C ATOM 740 C ILE A 51 -13.341 8.152 6.509 1.00 0.00 C ATOM 741 O ILE A 51 -13.269 8.075 5.276 1.00 0.00 O ATOM 742 CB ILE A 51 -10.901 8.587 7.257 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.952 8.395 8.461 1.00 0.00 C ATOM 744 CG2 ILE A 51 -11.224 10.080 7.162 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.208 7.062 8.487 1.00 0.00 C ATOM 0 H ILE A 51 -10.845 6.282 6.645 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.483 7.759 8.415 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.421 8.264 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.220 9.203 8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.531 8.489 9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.297 10.648 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.839 10.264 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.766 10.393 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.567 7.020 9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.928 6.244 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.597 6.969 7.589 1.00 0.00 H new ATOM 757 N ASP A 52 -14.420 8.599 7.152 1.00 0.00 N ATOM 758 CA ASP A 52 -15.627 9.055 6.477 1.00 0.00 C ATOM 759 C ASP A 52 -15.283 10.243 5.586 1.00 0.00 C ATOM 760 O ASP A 52 -14.757 11.245 6.079 1.00 0.00 O ATOM 761 CB ASP A 52 -16.698 9.443 7.502 1.00 0.00 C ATOM 762 CG ASP A 52 -17.984 9.889 6.816 1.00 0.00 C ATOM 763 OD1 ASP A 52 -18.031 11.005 6.253 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.996 9.159 6.849 1.00 0.00 O ATOM 0 H ASP A 52 -14.477 8.654 8.169 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.026 8.248 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.906 8.594 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.324 10.247 8.136 1.00 0.00 H new ATOM 769 N GLY A 53 -15.576 10.140 4.289 1.00 0.00 N ATOM 770 CA GLY A 53 -15.316 11.193 3.314 1.00 0.00 C ATOM 771 C GLY A 53 -13.833 11.346 2.970 1.00 0.00 C ATOM 772 O GLY A 53 -13.398 12.428 2.567 1.00 0.00 O ATOM 0 H GLY A 53 -16.007 9.309 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.873 10.980 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.691 12.140 3.703 1.00 0.00 H new ATOM 776 N SER A 54 -13.029 10.299 3.132 1.00 0.00 N ATOM 777 CA SER A 54 -11.665 10.276 2.609 1.00 0.00 C ATOM 778 C SER A 54 -11.645 10.021 1.092 1.00 0.00 C ATOM 779 O SER A 54 -12.649 9.570 0.530 1.00 0.00 O ATOM 780 CB SER A 54 -10.889 9.162 3.312 1.00 0.00 C ATOM 781 OG SER A 54 -11.583 7.931 3.278 1.00 0.00 O ATOM 0 H SER A 54 -13.301 9.449 3.625 1.00 0.00 H new ATOM 0 HA SER A 54 -11.208 11.248 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.915 9.043 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.705 9.446 4.348 1.00 0.00 H new ATOM 0 HG SER A 54 -12.072 7.808 4.118 1.00 0.00 H new ATOM 787 N PRO A 55 -10.469 10.142 0.441 1.00 0.00 N ATOM 788 CA PRO A 55 -10.276 9.640 -0.913 1.00 0.00 C ATOM 789 C PRO A 55 -10.547 8.132 -1.046 1.00 0.00 C ATOM 790 O PRO A 55 -10.807 7.675 -2.162 1.00 0.00 O ATOM 791 CB PRO A 55 -8.837 9.983 -1.316 1.00 0.00 C ATOM 792 CG PRO A 55 -8.183 10.648 -0.104 1.00 0.00 C ATOM 793 CD PRO A 55 -9.305 10.884 0.907 1.00 0.00 C ATOM 0 HA PRO A 55 -10.998 10.113 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.292 9.084 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.826 10.652 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.406 10.011 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.707 11.588 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.006 10.547 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.533 11.947 0.987 1.00 0.00 H new ATOM 801 N ALA A 56 -10.463 7.356 0.047 1.00 0.00 N ATOM 802 CA ALA A 56 -10.834 5.945 0.076 1.00 0.00 C ATOM 803 C ALA A 56 -12.353 5.857 0.019 1.00 0.00 C ATOM 804 O ALA A 56 -12.878 5.232 -0.895 1.00 0.00 O ATOM 805 CB ALA A 56 -10.298 5.227 1.331 1.00 0.00 C ATOM 0 H ALA A 56 -10.129 7.704 0.946 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.386 5.443 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.600 4.180 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.210 5.291 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.705 5.702 2.224 1.00 0.00 H new ATOM 811 N ASP A 57 -13.043 6.496 0.966 1.00 0.00 N ATOM 812 CA ASP A 57 -14.500 6.434 1.094 1.00 0.00 C ATOM 813 C ASP A 57 -15.190 6.907 -0.186 1.00 0.00 C ATOM 814 O ASP A 57 -16.029 6.197 -0.736 1.00 0.00 O ATOM 815 CB ASP A 57 -14.955 7.255 2.305 1.00 0.00 C ATOM 816 CG ASP A 57 -16.377 6.926 2.760 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.819 5.760 2.672 1.00 0.00 O ATOM 818 OD2 ASP A 57 -17.035 7.825 3.334 1.00 0.00 O ATOM 0 H ASP A 57 -12.599 7.079 1.675 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.789 5.395 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.267 7.081 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.896 8.315 2.059 1.00 0.00 H new ATOM 823 N ARG A 58 -14.758 8.048 -0.743 1.00 0.00 N ATOM 824 CA ARG A 58 -15.251 8.563 -2.025 1.00 0.00 C ATOM 825 C ARG A 58 -15.132 7.553 -3.168 1.00 0.00 C ATOM 826 O ARG A 58 -15.838 7.703 -4.162 1.00 0.00 O ATOM 827 CB ARG A 58 -14.674 9.963 -2.345 1.00 0.00 C ATOM 828 CG ARG A 58 -13.471 9.893 -3.277 1.00 0.00 C ATOM 829 CD ARG A 58 -13.026 11.218 -3.907 1.00 0.00 C ATOM 830 NE ARG A 58 -13.816 11.555 -5.107 1.00 0.00 N ATOM 831 CZ ARG A 58 -13.696 11.028 -6.335 1.00 0.00 C ATOM 832 NH1 ARG A 58 -12.851 10.027 -6.582 1.00 0.00 N ATOM 833 NH2 ARG A 58 -14.424 11.520 -7.330 1.00 0.00 N ATOM 0 H ARG A 58 -14.051 8.643 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.326 8.709 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.450 10.577 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.384 10.455 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.630 9.478 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.699 9.192 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.123 12.018 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.971 11.156 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.535 12.269 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.278 9.645 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.777 9.643 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.068 12.292 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.340 11.126 -8.267 1.00 0.00 H new ATOM 847 N CYS A 59 -14.175 6.622 -3.113 1.00 0.00 N ATOM 848 CA CYS A 59 -13.759 5.882 -4.298 1.00 0.00 C ATOM 849 C CYS A 59 -14.796 4.841 -4.746 1.00 0.00 C ATOM 850 O CYS A 59 -14.699 4.371 -5.881 1.00 0.00 O ATOM 851 CB CYS A 59 -12.361 5.277 -4.085 1.00 0.00 C ATOM 852 SG CYS A 59 -11.553 5.095 -5.697 1.00 0.00 S ATOM 0 H CYS A 59 -13.677 6.366 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.694 6.589 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.767 5.919 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.440 4.309 -3.591 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.426 4.708 -6.579 1.00 0.00 H new ATOM 858 N ALA A 60 -15.796 4.529 -3.912 1.00 0.00 N ATOM 859 CA ALA A 60 -16.884 3.596 -4.186 1.00 0.00 C ATOM 860 C ALA A 60 -16.411 2.258 -4.779 1.00 0.00 C ATOM 861 O ALA A 60 -17.061 1.706 -5.678 1.00 0.00 O ATOM 862 CB ALA A 60 -17.957 4.292 -5.036 1.00 0.00 C ATOM 0 H ALA A 60 -15.867 4.944 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.333 3.314 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.769 3.594 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.347 5.154 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.518 4.622 -5.977 1.00 0.00 H new ATOM 868 N LYS A 61 -15.265 1.753 -4.303 1.00 0.00 N ATOM 869 CA LYS A 61 -14.744 0.427 -4.653 1.00 0.00 C ATOM 870 C LYS A 61 -14.054 -0.287 -3.503 1.00 0.00 C ATOM 871 O LYS A 61 -13.845 -1.494 -3.615 1.00 0.00 O ATOM 872 CB LYS A 61 -13.763 0.501 -5.838 1.00 0.00 C ATOM 873 CG LYS A 61 -14.511 0.655 -7.162 1.00 0.00 C ATOM 874 CD LYS A 61 -13.812 0.006 -8.345 1.00 0.00 C ATOM 875 CE LYS A 61 -12.465 0.628 -8.702 1.00 0.00 C ATOM 876 NZ LYS A 61 -12.007 0.163 -10.029 1.00 0.00 N ATOM 0 H LYS A 61 -14.666 2.263 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.627 -0.151 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.084 1.343 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.151 -0.401 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.506 0.222 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.646 1.716 -7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.664 -1.052 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.467 0.064 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.550 1.715 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.726 0.366 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.089 0.598 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.906 -0.872 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.704 0.435 -10.752 1.00 0.00 H new ATOM 890 N LEU A 62 -13.663 0.414 -2.445 1.00 0.00 N ATOM 891 CA LEU A 62 -12.894 -0.125 -1.330 1.00 0.00 C ATOM 892 C LEU A 62 -13.640 0.199 -0.040 1.00 0.00 C ATOM 893 O LEU A 62 -13.711 1.374 0.330 1.00 0.00 O ATOM 894 CB LEU A 62 -11.465 0.481 -1.311 1.00 0.00 C ATOM 895 CG LEU A 62 -10.292 -0.502 -1.101 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.135 0.233 -0.411 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.630 -1.742 -0.280 1.00 0.00 C ATOM 0 H LEU A 62 -13.880 1.405 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.787 -1.205 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.305 1.003 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.425 1.231 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.027 -0.855 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.304 -0.456 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.808 1.064 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.470 0.614 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.744 -2.370 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.966 -1.441 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.422 -2.303 -0.777 1.00 0.00 H new ATOM 909 N LYS A 63 -14.190 -0.807 0.644 1.00 0.00 N ATOM 910 CA LYS A 63 -14.805 -0.712 1.967 1.00 0.00 C ATOM 911 C LYS A 63 -14.236 -1.785 2.908 1.00 0.00 C ATOM 912 O LYS A 63 -13.404 -2.615 2.533 1.00 0.00 O ATOM 913 CB LYS A 63 -16.345 -0.705 1.883 1.00 0.00 C ATOM 914 CG LYS A 63 -16.872 0.398 0.952 1.00 0.00 C ATOM 915 CD LYS A 63 -18.156 1.068 1.451 1.00 0.00 C ATOM 916 CE LYS A 63 -19.371 0.137 1.360 1.00 0.00 C ATOM 917 NZ LYS A 63 -20.594 0.782 1.883 1.00 0.00 N ATOM 0 H LYS A 63 -14.219 -1.756 0.271 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.542 0.250 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.692 -1.675 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.761 -0.565 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.100 1.158 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.056 -0.029 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.020 1.384 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.345 1.967 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.529 -0.155 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.173 -0.776 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.395 0.123 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.452 1.038 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.797 1.640 1.331 1.00 0.00 H new ATOM 931 N VAL A 64 -14.598 -1.698 4.187 1.00 0.00 N ATOM 932 CA VAL A 64 -14.108 -2.560 5.259 1.00 0.00 C ATOM 933 C VAL A 64 -14.409 -4.026 4.918 1.00 0.00 C ATOM 934 O VAL A 64 -15.570 -4.397 4.747 1.00 0.00 O ATOM 935 CB VAL A 64 -14.725 -2.090 6.595 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.309 -2.982 7.771 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.315 -0.640 6.920 1.00 0.00 C ATOM 0 H VAL A 64 -15.265 -1.000 4.516 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.025 -2.490 5.365 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.805 -2.153 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.767 -2.612 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.639 -4.004 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.224 -2.965 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.765 -0.338 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.230 -0.578 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.660 0.022 6.126 1.00 0.00 H new ATOM 947 N GLY A 65 -13.387 -4.877 4.788 1.00 0.00 N ATOM 948 CA GLY A 65 -13.544 -6.305 4.558 1.00 0.00 C ATOM 949 C GLY A 65 -12.797 -6.741 3.318 1.00 0.00 C ATOM 950 O GLY A 65 -12.391 -7.900 3.250 1.00 0.00 O ATOM 0 H GLY A 65 -12.412 -4.581 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.176 -6.858 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.602 -6.546 4.453 1.00 0.00 H new ATOM 954 N ASP A 66 -12.535 -5.818 2.388 1.00 0.00 N ATOM 955 CA ASP A 66 -12.069 -6.087 1.030 1.00 0.00 C ATOM 956 C ASP A 66 -10.622 -6.605 1.003 1.00 0.00 C ATOM 957 O ASP A 66 -9.677 -5.814 0.995 1.00 0.00 O ATOM 958 CB ASP A 66 -12.294 -4.842 0.151 1.00 0.00 C ATOM 959 CG ASP A 66 -13.773 -4.449 -0.019 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.675 -5.215 0.404 1.00 0.00 O ATOM 961 OD2 ASP A 66 -14.072 -3.347 -0.519 1.00 0.00 O ATOM 0 H ASP A 66 -12.648 -4.821 2.572 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.659 -6.899 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.754 -4.001 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.862 -5.023 -0.833 1.00 0.00 H new ATOM 966 N ARG A 67 -10.442 -7.914 1.255 1.00 0.00 N ATOM 967 CA ARG A 67 -9.168 -8.576 1.635 1.00 0.00 C ATOM 968 C ARG A 67 -8.038 -8.156 0.708 1.00 0.00 C ATOM 969 O ARG A 67 -8.245 -8.187 -0.501 1.00 0.00 O ATOM 970 CB ARG A 67 -9.275 -10.121 1.630 1.00 0.00 C ATOM 971 CG ARG A 67 -10.344 -10.615 2.614 1.00 0.00 C ATOM 972 CD ARG A 67 -10.334 -12.133 2.867 1.00 0.00 C ATOM 973 NE ARG A 67 -11.584 -12.536 3.537 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.037 -13.773 3.778 1.00 0.00 C ATOM 975 NH1 ARG A 67 -11.244 -14.839 3.708 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.319 -13.952 4.065 1.00 0.00 N ATOM 0 H ARG A 67 -11.215 -8.577 1.198 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.952 -8.253 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.517 -10.467 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.310 -10.554 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.208 -10.101 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.326 -10.330 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.228 -12.668 1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.477 -12.402 3.484 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.181 -11.774 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.260 -14.727 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.620 -15.768 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.950 -13.152 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.674 -14.890 4.250 1.00 0.00 H new ATOM 990 N ILE A 68 -6.869 -7.813 1.259 1.00 0.00 N ATOM 991 CA ILE A 68 -5.732 -7.278 0.516 1.00 0.00 C ATOM 992 C ILE A 68 -4.711 -8.403 0.345 1.00 0.00 C ATOM 993 O ILE A 68 -4.349 -9.057 1.324 1.00 0.00 O ATOM 994 CB ILE A 68 -5.101 -6.079 1.269 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.122 -4.953 1.561 1.00 0.00 C ATOM 996 CG2 ILE A 68 -3.914 -5.512 0.462 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.603 -3.935 2.584 1.00 0.00 C ATOM 0 H ILE A 68 -6.687 -7.903 2.258 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.059 -6.915 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.752 -6.456 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.364 -4.437 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.048 -5.394 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.478 -4.670 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.160 -6.288 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.265 -5.177 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.360 -3.168 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.387 -4.442 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.693 -3.470 2.205 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.237 -8.620 -0.883 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.277 -9.642 -1.239 1.00 0.00 C ATOM 1011 C LEU A 69 -1.934 -9.048 -1.656 1.00 0.00 C ATOM 1012 O LEU A 69 -0.891 -9.665 -1.447 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.840 -10.395 -2.442 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.261 -10.963 -2.318 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.473 -11.776 -1.035 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -6.386 -9.946 -2.538 1.00 0.00 C ATOM 0 H LEU A 69 -4.530 -8.060 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.115 -10.283 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.820 -9.723 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.166 -11.221 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.334 -11.654 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.496 -12.150 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.779 -12.616 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.295 -11.140 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.351 -10.442 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.304 -9.147 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.305 -9.525 -3.540 1.00 0.00 H new ATOM 1028 N ALA A 70 -1.948 -7.869 -2.280 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.760 -7.202 -2.782 1.00 0.00 C ATOM 1030 C ALA A 70 -1.024 -5.699 -2.851 1.00 0.00 C ATOM 1031 O ALA A 70 -2.174 -5.258 -2.758 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.394 -7.763 -4.163 1.00 0.00 C ATOM 0 H ALA A 70 -2.807 -7.346 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 70 0.081 -7.380 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.498 -7.259 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.200 -8.832 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.220 -7.596 -4.854 1.00 0.00 H new ATOM 1038 N VAL A 71 0.035 -4.919 -3.050 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.033 -3.470 -3.186 1.00 0.00 C ATOM 1040 C VAL A 71 0.731 -3.081 -4.437 1.00 0.00 C ATOM 1041 O VAL A 71 1.935 -3.332 -4.506 1.00 0.00 O ATOM 1042 CB VAL A 71 0.437 -2.781 -1.899 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.903 -3.018 -1.537 1.00 0.00 C ATOM 1044 CG2 VAL A 71 0.177 -1.274 -1.976 1.00 0.00 C ATOM 0 H VAL A 71 0.984 -5.286 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.059 -3.124 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.150 -3.243 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.139 -2.491 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.076 -4.085 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.540 -2.647 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.516 -0.799 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.720 -0.854 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.890 -1.095 -2.105 1.00 0.00 H new ATOM 1054 N ASN A 72 0.023 -2.551 -5.438 1.00 0.00 N ATOM 1055 CA ASN A 72 0.441 -2.272 -6.816 1.00 0.00 C ATOM 1056 C ASN A 72 0.865 -3.527 -7.598 1.00 0.00 C ATOM 1057 O ASN A 72 0.511 -3.671 -8.769 1.00 0.00 O ATOM 1058 CB ASN A 72 1.499 -1.156 -6.841 1.00 0.00 C ATOM 1059 CG ASN A 72 0.978 0.122 -6.199 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.128 0.819 -6.734 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.481 0.496 -5.036 1.00 0.00 N ATOM 0 H ASN A 72 -0.949 -2.281 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.436 -1.910 -7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.394 -1.490 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.791 -0.954 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.160 1.358 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.191 -0.077 -4.579 1.00 0.00 H new ATOM 1068 N GLY A 73 1.533 -4.467 -6.937 1.00 0.00 N ATOM 1069 CA GLY A 73 2.095 -5.695 -7.456 1.00 0.00 C ATOM 1070 C GLY A 73 3.015 -6.394 -6.452 1.00 0.00 C ATOM 1071 O GLY A 73 3.490 -7.492 -6.757 1.00 0.00 O ATOM 0 H GLY A 73 1.706 -4.374 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.286 -6.371 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.655 -5.478 -8.366 1.00 0.00 H new ATOM 1075 N GLN A 74 3.299 -5.821 -5.274 1.00 0.00 N ATOM 1076 CA GLN A 74 4.211 -6.412 -4.308 1.00 0.00 C ATOM 1077 C GLN A 74 3.415 -7.306 -3.358 1.00 0.00 C ATOM 1078 O GLN A 74 2.354 -6.883 -2.890 1.00 0.00 O ATOM 1079 CB GLN A 74 4.894 -5.262 -3.558 1.00 0.00 C ATOM 1080 CG GLN A 74 5.873 -5.734 -2.485 1.00 0.00 C ATOM 1081 CD GLN A 74 7.097 -6.459 -3.048 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.982 -7.539 -3.626 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.283 -5.894 -2.879 1.00 0.00 N ATOM 0 H GLN A 74 2.898 -4.933 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 74 4.970 -7.029 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.426 -4.636 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.131 -4.637 -3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.206 -4.873 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.352 -6.400 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.357 -4.998 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.122 -6.355 -3.231 1.00 0.00 H new ATOM 1092 N SER A 75 3.913 -8.510 -3.047 1.00 0.00 N ATOM 1093 CA SER A 75 3.214 -9.417 -2.142 1.00 0.00 C ATOM 1094 C SER A 75 3.335 -8.903 -0.706 1.00 0.00 C ATOM 1095 O SER A 75 4.446 -8.766 -0.191 1.00 0.00 O ATOM 1096 CB SER A 75 3.683 -10.871 -2.317 1.00 0.00 C ATOM 1097 OG SER A 75 4.912 -11.216 -1.699 1.00 0.00 O ATOM 0 H SER A 75 4.794 -8.873 -3.410 1.00 0.00 H new ATOM 0 HA SER A 75 2.154 -9.432 -2.394 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.907 -11.530 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.768 -11.077 -3.384 1.00 0.00 H new ATOM 0 HG SER A 75 5.215 -10.473 -1.136 1.00 0.00 H new ATOM 1103 N ILE A 76 2.206 -8.605 -0.061 1.00 0.00 N ATOM 1104 CA ILE A 76 2.204 -7.994 1.268 1.00 0.00 C ATOM 1105 C ILE A 76 2.169 -9.057 2.369 1.00 0.00 C ATOM 1106 O ILE A 76 2.653 -8.815 3.466 1.00 0.00 O ATOM 1107 CB ILE A 76 1.057 -6.970 1.397 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.338 -7.580 1.137 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.255 -5.820 0.404 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.101 -7.932 2.395 1.00 0.00 C ATOM 0 H ILE A 76 1.276 -8.779 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 76 3.138 -7.447 1.397 1.00 0.00 H new ATOM 0 HB ILE A 76 1.092 -6.617 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.928 -6.875 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.223 -8.479 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.438 -5.106 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.202 -5.321 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.266 -6.214 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.069 -8.354 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.534 -8.662 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.250 -7.033 2.994 1.00 0.00 H new ATOM 1122 N ILE A 77 1.665 -10.260 2.081 1.00 0.00 N ATOM 1123 CA ILE A 77 1.564 -11.349 3.054 1.00 0.00 C ATOM 1124 C ILE A 77 2.946 -11.726 3.598 1.00 0.00 C ATOM 1125 O ILE A 77 3.071 -12.143 4.744 1.00 0.00 O ATOM 1126 CB ILE A 77 0.869 -12.543 2.375 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.489 -12.104 1.767 1.00 0.00 C ATOM 1128 CG2 ILE A 77 0.664 -13.749 3.308 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.501 -12.326 0.258 1.00 0.00 C ATOM 0 H ILE A 77 1.312 -10.507 1.156 1.00 0.00 H new ATOM 0 HA ILE A 77 0.971 -11.032 3.912 1.00 0.00 H new ATOM 0 HB ILE A 77 1.541 -12.875 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.299 -12.668 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.668 -11.051 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.169 -14.552 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.631 -14.098 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.046 -13.452 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.462 -12.012 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.296 -11.742 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.345 -13.383 0.045 1.00 0.00 H new ATOM 1141 N ASN A 78 3.970 -11.596 2.754 1.00 0.00 N ATOM 1142 CA ASN A 78 5.310 -12.090 3.026 1.00 0.00 C ATOM 1143 C ASN A 78 6.217 -11.008 3.616 1.00 0.00 C ATOM 1144 O ASN A 78 7.366 -11.294 3.966 1.00 0.00 O ATOM 1145 CB ASN A 78 5.909 -12.602 1.712 1.00 0.00 C ATOM 1146 CG ASN A 78 5.123 -13.762 1.103 1.00 0.00 C ATOM 1147 OD1 ASN A 78 4.866 -14.778 1.744 1.00 0.00 O ATOM 1148 ND2 ASN A 78 4.674 -13.636 -0.134 1.00 0.00 N ATOM 0 H ASN A 78 3.885 -11.136 1.848 1.00 0.00 H new ATOM 0 HA ASN A 78 5.241 -12.889 3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.948 -11.782 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.936 -12.921 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.117 -14.381 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.885 -12.794 -0.670 1.00 0.00 H new ATOM 1155 N MET A 79 5.762 -9.759 3.666 1.00 0.00 N ATOM 1156 CA MET A 79 6.552 -8.585 3.979 1.00 0.00 C ATOM 1157 C MET A 79 6.284 -8.029 5.381 1.00 0.00 C ATOM 1158 O MET A 79 5.227 -8.289 5.956 1.00 0.00 O ATOM 1159 CB MET A 79 6.247 -7.531 2.907 1.00 0.00 C ATOM 1160 CG MET A 79 7.394 -7.531 1.924 1.00 0.00 C ATOM 1161 SD MET A 79 7.202 -6.580 0.407 1.00 0.00 S ATOM 1162 CE MET A 79 7.135 -4.902 1.081 1.00 0.00 C ATOM 0 H MET A 79 4.785 -9.534 3.479 1.00 0.00 H new ATOM 0 HA MET A 79 7.607 -8.860 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.309 -7.761 2.401 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.132 -6.546 3.360 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.278 -7.160 2.442 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.597 -8.565 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.126 -4.505 0.970 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.402 -4.923 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.837 -4.265 0.542 1.00 0.00 H new ATOM 1172 N PRO A 80 7.217 -7.227 5.928 1.00 0.00 N ATOM 1173 CA PRO A 80 6.999 -6.468 7.147 1.00 0.00 C ATOM 1174 C PRO A 80 5.950 -5.384 6.929 1.00 0.00 C ATOM 1175 O PRO A 80 5.998 -4.657 5.934 1.00 0.00 O ATOM 1176 CB PRO A 80 8.331 -5.812 7.517 1.00 0.00 C ATOM 1177 CG PRO A 80 9.323 -6.244 6.447 1.00 0.00 C ATOM 1178 CD PRO A 80 8.512 -6.920 5.352 1.00 0.00 C ATOM 0 HA PRO A 80 6.644 -7.128 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.237 -4.726 7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.661 -6.130 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.867 -5.385 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.064 -6.929 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.406 -6.265 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.008 -7.827 5.006 1.00 0.00 H new ATOM 1186 N HIS A 81 5.104 -5.198 7.940 1.00 0.00 N ATOM 1187 CA HIS A 81 4.108 -4.145 8.041 1.00 0.00 C ATOM 1188 C HIS A 81 4.707 -2.789 7.658 1.00 0.00 C ATOM 1189 O HIS A 81 4.189 -2.114 6.773 1.00 0.00 O ATOM 1190 CB HIS A 81 3.564 -4.141 9.478 1.00 0.00 C ATOM 1191 CG HIS A 81 2.154 -3.637 9.593 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.022 -4.401 9.420 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.771 -2.405 10.041 1.00 0.00 C ATOM 1194 CE1 HIS A 81 -0.035 -3.651 9.766 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.377 -2.435 10.172 1.00 0.00 N ATOM 0 H HIS A 81 5.099 -5.814 8.753 1.00 0.00 H new ATOM 0 HA HIS A 81 3.290 -4.330 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.611 -5.154 9.877 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.212 -3.523 10.100 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.419 -1.568 10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.065 -3.975 9.725 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.216 -1.677 10.512 1.00 0.00 H new ATOM 1203 N ALA A 82 5.827 -2.418 8.286 1.00 0.00 N ATOM 1204 CA ALA A 82 6.492 -1.140 8.074 1.00 0.00 C ATOM 1205 C ALA A 82 6.991 -0.950 6.644 1.00 0.00 C ATOM 1206 O ALA A 82 7.084 0.196 6.200 1.00 0.00 O ATOM 1207 CB ALA A 82 7.657 -1.022 9.060 1.00 0.00 C ATOM 0 H ALA A 82 6.301 -3.012 8.967 1.00 0.00 H new ATOM 0 HA ALA A 82 5.757 -0.353 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.164 -0.069 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.277 -1.076 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.361 -1.837 8.891 1.00 0.00 H new ATOM 1213 N ASP A 83 7.299 -2.024 5.920 1.00 0.00 N ATOM 1214 CA ASP A 83 7.817 -1.912 4.561 1.00 0.00 C ATOM 1215 C ASP A 83 6.679 -1.841 3.553 1.00 0.00 C ATOM 1216 O ASP A 83 6.763 -1.089 2.593 1.00 0.00 O ATOM 1217 CB ASP A 83 8.748 -3.074 4.237 1.00 0.00 C ATOM 1218 CG ASP A 83 9.578 -2.782 2.984 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.979 -1.618 2.755 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.942 -3.748 2.281 1.00 0.00 O ATOM 0 H ASP A 83 7.198 -2.983 6.254 1.00 0.00 H new ATOM 0 HA ASP A 83 8.391 -0.988 4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.412 -3.259 5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.163 -3.982 4.086 1.00 0.00 H new ATOM 1225 N ILE A 84 5.572 -2.543 3.805 1.00 0.00 N ATOM 1226 CA ILE A 84 4.320 -2.409 3.056 1.00 0.00 C ATOM 1227 C ILE A 84 3.774 -0.985 3.271 1.00 0.00 C ATOM 1228 O ILE A 84 3.285 -0.361 2.330 1.00 0.00 O ATOM 1229 CB ILE A 84 3.322 -3.477 3.562 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.844 -4.911 3.311 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.929 -3.327 2.923 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.336 -5.875 4.382 1.00 0.00 C ATOM 0 H ILE A 84 5.520 -3.236 4.552 1.00 0.00 H new ATOM 0 HA ILE A 84 4.478 -2.565 1.989 1.00 0.00 H new ATOM 0 HB ILE A 84 3.229 -3.312 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.521 -5.252 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.934 -4.909 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.266 -4.100 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.522 -2.345 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.012 -3.430 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.718 -6.876 4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.681 -5.545 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.246 -5.893 4.368 1.00 0.00 H new ATOM 1244 N VAL A 85 3.872 -0.437 4.487 1.00 0.00 N ATOM 1245 CA VAL A 85 3.613 0.970 4.758 1.00 0.00 C ATOM 1246 C VAL A 85 4.531 1.826 3.883 1.00 0.00 C ATOM 1247 O VAL A 85 4.049 2.733 3.207 1.00 0.00 O ATOM 1248 CB VAL A 85 3.753 1.239 6.264 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.989 2.709 6.613 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.523 0.736 7.033 1.00 0.00 C ATOM 0 H VAL A 85 4.137 -0.969 5.316 1.00 0.00 H new ATOM 0 HA VAL A 85 2.591 1.243 4.496 1.00 0.00 H new ATOM 0 HB VAL A 85 4.642 0.686 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.077 2.817 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.908 3.053 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.150 3.307 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.650 0.940 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.632 1.248 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.412 -0.338 6.880 1.00 0.00 H new ATOM 1260 N LYS A 86 5.843 1.563 3.872 1.00 0.00 N ATOM 1261 CA LYS A 86 6.767 2.367 3.079 1.00 0.00 C ATOM 1262 C LYS A 86 6.475 2.301 1.583 1.00 0.00 C ATOM 1263 O LYS A 86 6.597 3.313 0.899 1.00 0.00 O ATOM 1264 CB LYS A 86 8.218 1.940 3.359 1.00 0.00 C ATOM 1265 CG LYS A 86 9.155 3.155 3.313 1.00 0.00 C ATOM 1266 CD LYS A 86 10.374 2.975 2.408 1.00 0.00 C ATOM 1267 CE LYS A 86 11.347 1.899 2.906 1.00 0.00 C ATOM 1268 NZ LYS A 86 11.311 0.665 2.093 1.00 0.00 N ATOM 0 H LYS A 86 6.281 0.807 4.399 1.00 0.00 H new ATOM 0 HA LYS A 86 6.626 3.404 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.280 1.462 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.534 1.201 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.590 4.023 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.497 3.374 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.037 2.714 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.903 3.925 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.360 2.302 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.109 1.653 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.276 0.416 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.911 -0.111 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.721 0.821 1.251 1.00 0.00 H new ATOM 1282 N LEU A 87 6.062 1.139 1.093 1.00 0.00 N ATOM 1283 CA LEU A 87 5.629 0.842 -0.258 1.00 0.00 C ATOM 1284 C LEU A 87 4.399 1.657 -0.623 1.00 0.00 C ATOM 1285 O LEU A 87 4.313 2.174 -1.735 1.00 0.00 O ATOM 1286 CB LEU A 87 5.279 -0.653 -0.280 1.00 0.00 C ATOM 1287 CG LEU A 87 6.305 -1.642 -0.856 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.833 -2.062 -2.240 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.764 -1.179 -0.866 1.00 0.00 C ATOM 0 H LEU A 87 6.019 0.311 1.687 1.00 0.00 H new ATOM 0 HA LEU A 87 6.411 1.088 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.065 -0.958 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.355 -0.768 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 87 6.336 -2.489 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.546 -2.765 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.856 -2.538 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.758 -1.184 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.391 -1.961 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.854 -0.273 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.087 -0.973 0.154 1.00 0.00 H new ATOM 1301 N ILE A 88 3.440 1.785 0.293 1.00 0.00 N ATOM 1302 CA ILE A 88 2.290 2.649 0.078 1.00 0.00 C ATOM 1303 C ILE A 88 2.778 4.086 0.061 1.00 0.00 C ATOM 1304 O ILE A 88 2.348 4.857 -0.793 1.00 0.00 O ATOM 1305 CB ILE A 88 1.244 2.417 1.175 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.552 1.060 0.945 1.00 0.00 C ATOM 1307 CG2 ILE A 88 0.209 3.546 1.187 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.391 0.629 2.072 1.00 0.00 C ATOM 0 H ILE A 88 3.441 1.299 1.190 1.00 0.00 H new ATOM 0 HA ILE A 88 1.809 2.424 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 88 1.744 2.408 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.013 1.108 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.316 0.294 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.523 3.360 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.709 4.496 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.297 3.586 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.834 -0.336 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.169 0.545 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.181 1.371 2.190 1.00 0.00 H new ATOM 1320 N LYS A 89 3.680 4.460 0.976 1.00 0.00 N ATOM 1321 CA LYS A 89 4.200 5.810 0.978 1.00 0.00 C ATOM 1322 C LYS A 89 4.844 6.112 -0.374 1.00 0.00 C ATOM 1323 O LYS A 89 4.650 7.200 -0.912 1.00 0.00 O ATOM 1324 CB LYS A 89 5.144 6.067 2.162 1.00 0.00 C ATOM 1325 CG LYS A 89 5.164 7.578 2.422 1.00 0.00 C ATOM 1326 CD LYS A 89 6.344 8.046 3.273 1.00 0.00 C ATOM 1327 CE LYS A 89 6.338 9.576 3.195 1.00 0.00 C ATOM 1328 NZ LYS A 89 7.557 10.190 3.744 1.00 0.00 N ATOM 0 H LYS A 89 4.052 3.853 1.706 1.00 0.00 H new ATOM 0 HA LYS A 89 3.372 6.505 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.802 5.531 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.147 5.704 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.189 8.101 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.236 7.864 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.241 7.707 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.283 7.639 2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.223 9.880 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.472 9.957 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.492 11.225 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.657 9.928 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.385 9.852 3.213 1.00 0.00 H new ATOM 1342 N ASP A 90 5.586 5.154 -0.925 1.00 0.00 N ATOM 1343 CA ASP A 90 6.266 5.189 -2.220 1.00 0.00 C ATOM 1344 C ASP A 90 5.286 5.248 -3.393 1.00 0.00 C ATOM 1345 O ASP A 90 5.679 5.586 -4.505 1.00 0.00 O ATOM 1346 CB ASP A 90 7.156 3.942 -2.337 1.00 0.00 C ATOM 1347 CG ASP A 90 8.220 4.014 -3.427 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.595 5.117 -3.871 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.830 2.952 -3.694 1.00 0.00 O ATOM 0 H ASP A 90 5.740 4.268 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 90 6.866 6.098 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.648 3.773 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.521 3.076 -2.526 1.00 0.00 H new ATOM 1354 N ALA A 91 3.996 4.966 -3.173 1.00 0.00 N ATOM 1355 CA ALA A 91 2.976 5.227 -4.184 1.00 0.00 C ATOM 1356 C ALA A 91 2.637 6.730 -4.284 1.00 0.00 C ATOM 1357 O ALA A 91 1.984 7.160 -5.231 1.00 0.00 O ATOM 1358 CB ALA A 91 1.740 4.389 -3.856 1.00 0.00 C ATOM 0 H ALA A 91 3.640 4.560 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 91 3.359 4.940 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.967 4.573 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.005 3.332 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.365 4.664 -2.870 1.00 0.00 H new ATOM 1364 N GLY A 92 3.078 7.552 -3.327 1.00 0.00 N ATOM 1365 CA GLY A 92 2.821 8.982 -3.310 1.00 0.00 C ATOM 1366 C GLY A 92 1.319 9.257 -3.257 1.00 0.00 C ATOM 1367 O GLY A 92 0.678 8.925 -2.257 1.00 0.00 O ATOM 0 H GLY A 92 3.632 7.230 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.310 9.435 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.250 9.445 -4.199 1.00 0.00 H new ATOM 1371 N LEU A 93 0.764 9.888 -4.295 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.652 10.253 -4.355 1.00 0.00 C ATOM 1373 C LEU A 93 -1.505 9.144 -4.903 1.00 0.00 C ATOM 1374 O LEU A 93 -2.664 9.030 -4.513 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.929 11.447 -5.282 1.00 0.00 C ATOM 1376 CG LEU A 93 -0.201 12.696 -4.828 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.451 13.858 -5.791 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.613 13.103 -3.408 1.00 0.00 C ATOM 0 H LEU A 93 1.291 10.162 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.897 10.488 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.622 11.197 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.001 11.642 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 93 0.864 12.462 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.083 14.742 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.096 13.589 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.519 14.072 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.071 14.002 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.685 13.301 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.377 12.296 -2.715 1.00 0.00 H new ATOM 1390 N SER A 94 -0.971 8.415 -5.872 1.00 0.00 N ATOM 1391 CA SER A 94 -1.733 7.381 -6.557 1.00 0.00 C ATOM 1392 C SER A 94 -1.216 6.021 -6.112 1.00 0.00 C ATOM 1393 O SER A 94 -0.083 5.660 -6.417 1.00 0.00 O ATOM 1394 CB SER A 94 -1.642 7.567 -8.081 1.00 0.00 C ATOM 1395 OG SER A 94 -0.570 8.417 -8.495 1.00 0.00 O ATOM 0 H SER A 94 -0.012 8.521 -6.202 1.00 0.00 H new ATOM 0 HA SER A 94 -2.789 7.453 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.521 6.591 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.583 7.981 -8.444 1.00 0.00 H new ATOM 0 HG SER A 94 -0.569 8.490 -9.472 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.090 5.212 -5.523 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.795 3.881 -5.017 1.00 0.00 C ATOM 1403 C VAL A 95 -2.812 2.946 -5.638 1.00 0.00 C ATOM 1404 O VAL A 95 -3.957 3.348 -5.841 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.871 3.875 -3.473 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.291 4.158 -2.973 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.412 2.545 -2.849 1.00 0.00 C ATOM 0 H VAL A 95 -3.064 5.479 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.787 3.560 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.191 4.667 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.302 4.145 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.613 5.137 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.969 3.394 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.490 2.606 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.044 1.735 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.377 2.350 -3.128 1.00 0.00 H new ATOM 1417 N THR A 96 -2.432 1.692 -5.833 1.00 0.00 N ATOM 1418 CA THR A 96 -3.296 0.634 -6.274 1.00 0.00 C ATOM 1419 C THR A 96 -3.201 -0.493 -5.239 1.00 0.00 C ATOM 1420 O THR A 96 -2.121 -0.776 -4.711 1.00 0.00 O ATOM 1421 CB THR A 96 -2.861 0.208 -7.685 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.455 1.284 -8.513 1.00 0.00 O ATOM 1423 CG2 THR A 96 -4.019 -0.487 -8.378 1.00 0.00 C ATOM 0 H THR A 96 -1.472 1.383 -5.679 1.00 0.00 H new ATOM 0 HA THR A 96 -4.340 0.938 -6.345 1.00 0.00 H new ATOM 0 HB THR A 96 -2.001 -0.447 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.526 1.522 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.714 -0.791 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.311 -1.367 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.865 0.197 -8.448 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.333 -1.112 -4.901 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.421 -2.217 -3.954 1.00 0.00 C ATOM 1433 C LEU A 97 -5.054 -3.410 -4.641 1.00 0.00 C ATOM 1434 O LEU A 97 -6.116 -3.273 -5.253 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.262 -1.797 -2.740 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.438 -1.041 -1.690 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.386 -0.431 -0.658 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.462 -1.969 -0.957 1.00 0.00 C ATOM 0 H LEU A 97 -5.238 -0.849 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.423 -2.486 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.086 -1.167 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.703 -2.683 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.864 -0.271 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.808 0.109 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.069 0.258 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.957 -1.224 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.897 -1.396 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.020 -2.757 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.774 -2.415 -1.676 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.404 -4.574 -4.547 1.00 0.00 N ATOM 1451 CA ARG A 98 -4.955 -5.811 -5.069 1.00 0.00 C ATOM 1452 C ARG A 98 -5.869 -6.382 -4.002 1.00 0.00 C ATOM 1453 O ARG A 98 -5.363 -6.895 -2.997 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.872 -6.822 -5.455 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.456 -8.003 -6.258 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.674 -9.307 -6.032 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.252 -9.937 -7.285 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.654 -11.126 -7.409 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.379 -11.894 -6.357 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.322 -11.540 -8.619 1.00 0.00 N ATOM 0 H ARG A 98 -3.489 -4.677 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.503 -5.602 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.103 -6.324 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.387 -7.198 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.498 -8.153 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.448 -7.757 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.796 -9.098 -5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.294 -10.005 -5.470 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.432 -9.419 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.626 -11.580 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.922 -12.796 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.523 -10.956 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.865 -12.443 -8.741 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.179 -6.322 -4.224 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.163 -6.961 -3.361 1.00 0.00 C ATOM 1476 C ILE A 99 -8.885 -8.092 -4.104 1.00 0.00 C ATOM 1477 O ILE A 99 -8.724 -8.233 -5.319 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.085 -5.903 -2.720 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.973 -5.196 -3.759 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.237 -4.848 -1.987 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.316 -5.894 -3.995 1.00 0.00 C ATOM 0 H ILE A 99 -7.589 -5.824 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.666 -7.451 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.736 -6.426 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.157 -4.173 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.434 -5.135 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.893 -4.103 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.648 -5.332 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.569 -4.361 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.888 -5.340 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.141 -6.908 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.876 -5.931 -3.061 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.686 -8.894 -3.391 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.585 -9.891 -3.973 1.00 0.00 C ATOM 1495 C ILE A 100 -12.006 -9.552 -3.524 1.00 0.00 C ATOM 1496 O ILE A 100 -12.218 -9.425 -2.315 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.172 -11.321 -3.581 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.961 -11.702 -4.442 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.270 -12.373 -3.810 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.107 -12.771 -3.768 1.00 0.00 C ATOM 0 H ILE A 100 -9.726 -8.865 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.531 -9.861 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.958 -11.317 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.303 -12.066 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.354 -10.816 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.902 -13.354 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.148 -12.118 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.539 -12.394 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.259 -13.015 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.744 -12.397 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.707 -13.666 -3.604 1.00 0.00 H new