USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -123:sc= -0.0892 (180deg=-0.633) USER MOD Single : A 27 THR OG1 : rot 70:sc= -2.13! USER MOD Single : A 29 CYS SG : rot 88:sc= 0.732 USER MOD Single : A 33 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.37) USER MOD Single : A 38 THR OG1 : rot 51:sc= -2.62! USER MOD Single : A 40 SER OG : rot 12:sc= 0.882 USER MOD Single : A 42 MET CE :methyl -140:sc= -0.595 (180deg=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0.0797! (180deg=-1.63!) USER MOD Single : A 53 GLN : amide:sc=-0.00388 X(o=-0.0039,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.831 K(o=0.83,f=-0.12) USER MOD Single : A 68 SER OG : rot 28:sc= -2.56! USER MOD Single : A 69 TYR OH : rot 15:sc= -3.23! USER MOD Single : A 79 ASN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 86 THR OG1 : rot -132:sc= -5.74! USER MOD Single : A 88 TYR OH : rot 180:sc= 0.83 USER MOD Single : A 90 SER OG : rot 170:sc= 0.00094 USER MOD Single : A 91 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.108) USER MOD Single : A 95 THR OG1 : rot 176:sc= -0.711 USER MOD Single : A 97 TYR OH : rot 56:sc= 0.921 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.536 K(o=0.54,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 173:sc= -0.119 (180deg=-0.166) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 3.140 14.647 4.579 1.00 0.00 N ATOM 109 CA ARG A 8 3.841 13.463 4.009 1.00 0.00 C ATOM 110 C ARG A 8 3.271 12.173 4.600 1.00 0.00 C ATOM 111 O ARG A 8 3.448 11.881 5.767 1.00 0.00 O ATOM 112 CB ARG A 8 5.302 13.636 4.425 1.00 0.00 C ATOM 113 CG ARG A 8 5.846 14.951 3.868 1.00 0.00 C ATOM 114 CD ARG A 8 6.009 14.828 2.353 1.00 0.00 C ATOM 115 NE ARG A 8 7.472 14.944 2.108 1.00 0.00 N ATOM 116 CZ ARG A 8 7.989 14.456 1.013 1.00 0.00 C ATOM 117 NH1 ARG A 8 7.483 14.777 -0.147 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.008 13.643 1.079 1.00 0.00 N ATOM 0 HA ARG A 8 3.724 13.396 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.384 13.629 5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.896 12.800 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.167 15.769 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.804 15.187 4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.623 13.875 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.459 15.612 1.833 1.00 0.00 H new ATOM 0 HE ARG A 8 8.070 15.404 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.684 15.409 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.887 14.396 -1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.400 13.389 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.412 13.261 0.224 1.00 0.00 H new ATOM 132 N LEU A 9 2.599 11.393 3.801 1.00 0.00 N ATOM 133 CA LEU A 9 2.030 10.121 4.305 1.00 0.00 C ATOM 134 C LEU A 9 3.000 8.981 4.002 1.00 0.00 C ATOM 135 O LEU A 9 3.962 9.157 3.282 1.00 0.00 O ATOM 136 CB LEU A 9 0.715 9.938 3.545 1.00 0.00 C ATOM 137 CG LEU A 9 -0.384 9.525 4.526 1.00 0.00 C ATOM 138 CD1 LEU A 9 -1.544 10.519 4.446 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.888 8.126 4.166 1.00 0.00 C ATOM 0 H LEU A 9 2.420 11.586 2.816 1.00 0.00 H new ATOM 0 HA LEU A 9 1.864 10.129 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.440 10.866 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.832 9.179 2.771 1.00 0.00 H new ATOM 0 HG LEU A 9 0.019 9.519 5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.326 10.223 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.187 11.516 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.947 10.527 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.671 7.831 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.289 8.133 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.063 7.416 4.224 1.00 0.00 H new ATOM 151 N ARG A 10 2.773 7.816 4.542 1.00 0.00 N ATOM 152 CA ARG A 10 3.713 6.697 4.263 1.00 0.00 C ATOM 153 C ARG A 10 3.006 5.605 3.454 1.00 0.00 C ATOM 154 O ARG A 10 2.110 4.938 3.935 1.00 0.00 O ATOM 155 CB ARG A 10 4.140 6.174 5.640 1.00 0.00 C ATOM 156 CG ARG A 10 4.397 7.349 6.589 1.00 0.00 C ATOM 157 CD ARG A 10 5.424 8.304 5.974 1.00 0.00 C ATOM 158 NE ARG A 10 5.194 9.607 6.658 1.00 0.00 N ATOM 159 CZ ARG A 10 5.288 9.689 7.957 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.313 9.168 8.574 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.356 10.297 8.639 1.00 0.00 N ATOM 0 H ARG A 10 1.989 7.593 5.155 1.00 0.00 H new ATOM 0 HA ARG A 10 4.573 7.016 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.364 5.528 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.041 5.569 5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.465 7.880 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.760 6.980 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.441 7.947 6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.285 8.393 4.897 1.00 0.00 H new ATOM 0 HE ARG A 10 4.963 10.436 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.043 8.695 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.384 9.233 9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.556 10.707 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.427 10.362 9.654 1.00 0.00 H new ATOM 175 N VAL A 11 3.398 5.421 2.226 1.00 0.00 N ATOM 176 CA VAL A 11 2.743 4.381 1.385 1.00 0.00 C ATOM 177 C VAL A 11 3.792 3.400 0.847 1.00 0.00 C ATOM 178 O VAL A 11 4.430 3.648 -0.157 1.00 0.00 O ATOM 179 CB VAL A 11 2.072 5.175 0.255 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.109 4.388 -1.058 1.00 0.00 C ATOM 181 CG2 VAL A 11 0.616 5.456 0.633 1.00 0.00 C ATOM 0 H VAL A 11 4.143 5.945 1.767 1.00 0.00 H new ATOM 0 HA VAL A 11 2.021 3.776 1.934 1.00 0.00 H new ATOM 0 HB VAL A 11 2.613 6.111 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.628 4.970 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.145 4.190 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.581 3.443 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.135 6.020 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.090 4.513 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.585 6.036 1.555 1.00 0.00 H new ATOM 191 N LEU A 12 3.966 2.285 1.502 1.00 0.00 N ATOM 192 CA LEU A 12 4.964 1.291 1.022 1.00 0.00 C ATOM 193 C LEU A 12 4.283 0.269 0.118 1.00 0.00 C ATOM 194 O LEU A 12 3.700 -0.693 0.576 1.00 0.00 O ATOM 195 CB LEU A 12 5.496 0.620 2.288 1.00 0.00 C ATOM 196 CG LEU A 12 5.960 1.690 3.274 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.795 1.039 4.378 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.809 2.727 2.537 1.00 0.00 C ATOM 0 H LEU A 12 3.460 2.021 2.348 1.00 0.00 H new ATOM 0 HA LEU A 12 5.764 1.750 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.718 0.005 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.323 -0.045 2.040 1.00 0.00 H new ATOM 0 HG LEU A 12 5.092 2.178 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.126 1.803 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.191 0.299 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.664 0.551 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.141 3.491 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.678 2.239 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.214 3.191 1.750 1.00 0.00 H new ATOM 210 N VAL A 13 4.345 0.473 -1.165 1.00 0.00 N ATOM 211 CA VAL A 13 3.692 -0.486 -2.095 1.00 0.00 C ATOM 212 C VAL A 13 4.746 -1.399 -2.729 1.00 0.00 C ATOM 213 O VAL A 13 5.850 -0.981 -3.010 1.00 0.00 O ATOM 214 CB VAL A 13 3.001 0.377 -3.158 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.849 -0.417 -3.760 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.444 1.658 -2.526 1.00 0.00 C ATOM 0 H VAL A 13 4.818 1.260 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 13 2.977 -1.132 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 13 3.725 0.646 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.349 0.186 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.235 -1.328 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.138 -0.678 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.957 2.260 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.720 1.398 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.259 2.228 -2.081 1.00 0.00 H new ATOM 226 N VAL A 14 4.422 -2.649 -2.943 1.00 0.00 N ATOM 227 CA VAL A 14 5.421 -3.579 -3.540 1.00 0.00 C ATOM 228 C VAL A 14 4.714 -4.665 -4.380 1.00 0.00 C ATOM 229 O VAL A 14 3.681 -5.188 -3.991 1.00 0.00 O ATOM 230 CB VAL A 14 6.143 -4.188 -2.328 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.426 -3.107 -1.282 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.273 -5.276 -1.707 1.00 0.00 C ATOM 0 H VAL A 14 3.514 -3.062 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 14 6.113 -3.080 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 14 7.088 -4.618 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.938 -3.552 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.056 -2.333 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.486 -2.665 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.787 -5.707 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.326 -4.844 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.084 -6.056 -2.445 1.00 0.00 H new ATOM 242 N GLU A 15 5.271 -5.001 -5.529 1.00 0.00 N ATOM 243 CA GLU A 15 4.665 -6.042 -6.422 1.00 0.00 C ATOM 244 C GLU A 15 5.156 -5.824 -7.848 1.00 0.00 C ATOM 245 O GLU A 15 4.785 -4.864 -8.489 1.00 0.00 O ATOM 246 CB GLU A 15 3.150 -5.840 -6.381 1.00 0.00 C ATOM 247 CG GLU A 15 2.828 -4.351 -6.506 1.00 0.00 C ATOM 248 CD GLU A 15 1.839 -4.135 -7.654 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.710 -4.584 -7.534 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.230 -3.526 -8.636 1.00 0.00 O ATOM 0 H GLU A 15 6.133 -4.589 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 15 4.939 -7.046 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.677 -6.394 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.746 -6.233 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.404 -3.981 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.742 -3.785 -6.688 1.00 0.00 H new ATOM 257 N ASP A 16 5.989 -6.697 -8.345 1.00 0.00 N ATOM 258 CA ASP A 16 6.518 -6.550 -9.726 1.00 0.00 C ATOM 259 C ASP A 16 7.640 -5.517 -9.744 1.00 0.00 C ATOM 260 O ASP A 16 7.551 -4.468 -9.159 1.00 0.00 O ATOM 261 CB ASP A 16 5.341 -6.124 -10.607 1.00 0.00 C ATOM 262 CG ASP A 16 5.673 -6.418 -12.069 1.00 0.00 C ATOM 263 OD1 ASP A 16 6.843 -6.596 -12.365 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.753 -6.459 -12.868 1.00 0.00 O ATOM 0 H ASP A 16 6.329 -7.517 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 16 6.942 -7.483 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.439 -6.660 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.139 -5.061 -10.475 1.00 0.00 H new ATOM 269 N GLU A 17 8.715 -5.839 -10.378 1.00 0.00 N ATOM 270 CA GLU A 17 9.879 -4.908 -10.402 1.00 0.00 C ATOM 271 C GLU A 17 9.609 -3.613 -11.193 1.00 0.00 C ATOM 272 O GLU A 17 9.955 -2.537 -10.747 1.00 0.00 O ATOM 273 CB GLU A 17 10.996 -5.709 -11.069 1.00 0.00 C ATOM 274 CG GLU A 17 11.312 -6.947 -10.225 1.00 0.00 C ATOM 275 CD GLU A 17 12.796 -7.298 -10.365 1.00 0.00 C ATOM 276 OE1 GLU A 17 13.503 -6.548 -11.018 1.00 0.00 O ATOM 277 OE2 GLU A 17 13.198 -8.311 -9.818 1.00 0.00 O ATOM 0 H GLU A 17 8.849 -6.712 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 17 10.122 -4.575 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.694 -6.008 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.888 -5.091 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.069 -6.758 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.697 -7.787 -10.548 1.00 0.00 H new ATOM 284 N SER A 18 9.058 -3.692 -12.377 1.00 0.00 N ATOM 285 CA SER A 18 8.862 -2.434 -13.172 1.00 0.00 C ATOM 286 C SER A 18 7.403 -1.957 -13.243 1.00 0.00 C ATOM 287 O SER A 18 7.120 -0.944 -13.853 1.00 0.00 O ATOM 288 CB SER A 18 9.374 -2.781 -14.568 1.00 0.00 C ATOM 289 OG SER A 18 10.689 -2.261 -14.727 1.00 0.00 O ATOM 0 H SER A 18 8.740 -4.552 -12.824 1.00 0.00 H new ATOM 0 HA SER A 18 9.392 -1.607 -12.700 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.378 -3.862 -14.709 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.711 -2.364 -15.326 1.00 0.00 H new ATOM 0 HG SER A 18 11.023 -2.483 -15.621 1.00 0.00 H new ATOM 295 N MET A 19 6.475 -2.641 -12.647 1.00 0.00 N ATOM 296 CA MET A 19 5.061 -2.162 -12.725 1.00 0.00 C ATOM 297 C MET A 19 4.774 -1.192 -11.577 1.00 0.00 C ATOM 298 O MET A 19 4.438 -0.042 -11.781 1.00 0.00 O ATOM 299 CB MET A 19 4.207 -3.423 -12.593 1.00 0.00 C ATOM 300 CG MET A 19 2.749 -3.087 -12.909 1.00 0.00 C ATOM 301 SD MET A 19 1.938 -4.537 -13.627 1.00 0.00 S ATOM 302 CE MET A 19 2.360 -4.200 -15.354 1.00 0.00 C ATOM 0 H MET A 19 6.623 -3.499 -12.115 1.00 0.00 H new ATOM 0 HA MET A 19 4.853 -1.628 -13.652 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.569 -4.193 -13.274 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.288 -3.826 -11.583 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.230 -2.779 -12.001 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.700 -2.248 -13.604 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.951 -4.986 -15.989 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.940 -3.239 -15.650 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.444 -4.172 -15.465 1.00 0.00 H new ATOM 312 N ILE A 20 4.915 -1.659 -10.376 1.00 0.00 N ATOM 313 CA ILE A 20 4.670 -0.797 -9.180 1.00 0.00 C ATOM 314 C ILE A 20 5.711 0.316 -9.114 1.00 0.00 C ATOM 315 O ILE A 20 5.586 1.265 -8.367 1.00 0.00 O ATOM 316 CB ILE A 20 4.840 -1.749 -8.002 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.852 -0.976 -6.684 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.155 -2.500 -8.142 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.892 -1.643 -5.692 1.00 0.00 C ATOM 0 H ILE A 20 5.194 -2.616 -10.161 1.00 0.00 H new ATOM 0 HA ILE A 20 3.692 -0.315 -9.196 1.00 0.00 H new ATOM 0 HB ILE A 20 4.004 -2.448 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.861 -0.954 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.555 0.059 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.277 -3.181 -7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.152 -3.070 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.981 -1.789 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.900 -1.092 -4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.883 -1.641 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.209 -2.670 -5.513 1.00 0.00 H new ATOM 331 N ALA A 21 6.742 0.187 -9.888 1.00 0.00 N ATOM 332 CA ALA A 21 7.820 1.203 -9.897 1.00 0.00 C ATOM 333 C ALA A 21 7.263 2.597 -10.214 1.00 0.00 C ATOM 334 O ALA A 21 6.783 3.296 -9.341 1.00 0.00 O ATOM 335 CB ALA A 21 8.742 0.706 -10.996 1.00 0.00 C ATOM 0 H ALA A 21 6.887 -0.594 -10.527 1.00 0.00 H new ATOM 0 HA ALA A 21 8.323 1.312 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.588 1.386 -11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.105 -0.290 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.196 0.665 -11.938 1.00 0.00 H new ATOM 341 N MET A 22 7.321 3.011 -11.451 1.00 0.00 N ATOM 342 CA MET A 22 6.789 4.359 -11.806 1.00 0.00 C ATOM 343 C MET A 22 5.417 4.562 -11.161 1.00 0.00 C ATOM 344 O MET A 22 4.977 5.672 -10.947 1.00 0.00 O ATOM 345 CB MET A 22 6.667 4.349 -13.331 1.00 0.00 C ATOM 346 CG MET A 22 7.948 4.905 -13.954 1.00 0.00 C ATOM 347 SD MET A 22 7.866 4.724 -15.753 1.00 0.00 S ATOM 348 CE MET A 22 8.200 2.946 -15.820 1.00 0.00 C ATOM 0 H MET A 22 7.712 2.478 -12.228 1.00 0.00 H new ATOM 0 HA MET A 22 7.433 5.166 -11.456 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.490 3.333 -13.685 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.811 4.948 -13.641 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.069 5.955 -13.688 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.816 4.375 -13.563 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.073 2.763 -16.446 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.391 2.573 -14.814 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.337 2.429 -16.241 1.00 0.00 H new ATOM 358 N LEU A 23 4.740 3.489 -10.862 1.00 0.00 N ATOM 359 CA LEU A 23 3.388 3.580 -10.241 1.00 0.00 C ATOM 360 C LEU A 23 3.425 4.332 -8.902 1.00 0.00 C ATOM 361 O LEU A 23 2.425 4.860 -8.458 1.00 0.00 O ATOM 362 CB LEU A 23 2.999 2.122 -10.011 1.00 0.00 C ATOM 363 CG LEU A 23 1.483 1.965 -10.089 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.125 0.496 -9.864 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.818 2.824 -9.011 1.00 0.00 C ATOM 0 H LEU A 23 5.071 2.538 -11.024 1.00 0.00 H new ATOM 0 HA LEU A 23 2.686 4.127 -10.870 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.477 1.488 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.357 1.791 -9.036 1.00 0.00 H new ATOM 0 HG LEU A 23 1.131 2.287 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.043 0.373 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.598 -0.116 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.478 0.182 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.264 2.709 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.163 2.505 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.081 3.870 -9.166 1.00 0.00 H new ATOM 377 N ILE A 24 4.553 4.376 -8.244 1.00 0.00 N ATOM 378 CA ILE A 24 4.608 5.086 -6.930 1.00 0.00 C ATOM 379 C ILE A 24 5.408 6.385 -7.037 1.00 0.00 C ATOM 380 O ILE A 24 5.011 7.411 -6.522 1.00 0.00 O ATOM 381 CB ILE A 24 5.303 4.119 -5.969 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.096 4.609 -4.533 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.802 4.069 -6.277 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.413 3.481 -3.552 1.00 0.00 C ATOM 0 H ILE A 24 5.430 3.957 -8.554 1.00 0.00 H new ATOM 0 HA ILE A 24 3.609 5.359 -6.589 1.00 0.00 H new ATOM 0 HB ILE A 24 4.880 3.121 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.739 5.467 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.067 4.943 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.292 3.379 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.952 3.728 -7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.231 5.064 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.264 3.834 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.752 2.636 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.449 3.168 -3.680 1.00 0.00 H new ATOM 396 N GLU A 25 6.536 6.351 -7.684 1.00 0.00 N ATOM 397 CA GLU A 25 7.358 7.587 -7.796 1.00 0.00 C ATOM 398 C GLU A 25 6.617 8.657 -8.600 1.00 0.00 C ATOM 399 O GLU A 25 6.936 9.827 -8.531 1.00 0.00 O ATOM 400 CB GLU A 25 8.629 7.147 -8.511 1.00 0.00 C ATOM 401 CG GLU A 25 9.707 6.849 -7.470 1.00 0.00 C ATOM 402 CD GLU A 25 10.873 7.821 -7.657 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.612 8.984 -7.920 1.00 0.00 O ATOM 404 OE2 GLU A 25 12.006 7.387 -7.537 1.00 0.00 O ATOM 0 H GLU A 25 6.925 5.525 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 25 7.572 8.031 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.434 6.261 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.968 7.928 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.295 6.946 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.055 5.821 -7.574 1.00 0.00 H new ATOM 411 N ASP A 26 5.626 8.272 -9.355 1.00 0.00 N ATOM 412 CA ASP A 26 4.867 9.280 -10.148 1.00 0.00 C ATOM 413 C ASP A 26 3.710 9.823 -9.309 1.00 0.00 C ATOM 414 O ASP A 26 3.499 11.016 -9.226 1.00 0.00 O ATOM 415 CB ASP A 26 4.360 8.525 -11.382 1.00 0.00 C ATOM 416 CG ASP A 26 3.111 7.712 -11.025 1.00 0.00 C ATOM 417 OD1 ASP A 26 3.196 6.896 -10.122 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.090 7.922 -11.660 1.00 0.00 O ATOM 0 H ASP A 26 5.310 7.308 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 26 5.476 10.136 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.128 9.230 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.139 7.863 -11.758 1.00 0.00 H new ATOM 423 N THR A 27 2.971 8.961 -8.665 1.00 0.00 N ATOM 424 CA THR A 27 1.853 9.444 -7.815 1.00 0.00 C ATOM 425 C THR A 27 2.430 10.326 -6.713 1.00 0.00 C ATOM 426 O THR A 27 1.857 11.328 -6.333 1.00 0.00 O ATOM 427 CB THR A 27 1.222 8.183 -7.226 1.00 0.00 C ATOM 428 OG1 THR A 27 0.172 8.549 -6.342 1.00 0.00 O ATOM 429 CG2 THR A 27 2.281 7.387 -6.460 1.00 0.00 C ATOM 0 H THR A 27 3.094 7.949 -8.692 1.00 0.00 H new ATOM 0 HA THR A 27 1.117 10.030 -8.364 1.00 0.00 H new ATOM 0 HB THR A 27 0.822 7.568 -8.032 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.577 8.914 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.828 6.488 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.086 7.105 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.684 8.000 -5.654 1.00 0.00 H new ATOM 437 N LEU A 28 3.580 9.963 -6.216 1.00 0.00 N ATOM 438 CA LEU A 28 4.226 10.777 -5.156 1.00 0.00 C ATOM 439 C LEU A 28 4.629 12.130 -5.747 1.00 0.00 C ATOM 440 O LEU A 28 4.473 13.163 -5.126 1.00 0.00 O ATOM 441 CB LEU A 28 5.456 9.960 -4.732 1.00 0.00 C ATOM 442 CG LEU A 28 6.541 10.873 -4.144 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.311 11.557 -5.276 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.899 11.935 -3.250 1.00 0.00 C ATOM 0 H LEU A 28 4.100 9.133 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 28 3.576 10.980 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.165 9.212 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.854 9.421 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 28 7.228 10.270 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.080 12.204 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.779 10.801 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.623 12.154 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.675 12.579 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.205 12.535 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.359 11.449 -2.437 1.00 0.00 H new ATOM 456 N CYS A 29 5.137 12.129 -6.950 1.00 0.00 N ATOM 457 CA CYS A 29 5.539 13.414 -7.587 1.00 0.00 C ATOM 458 C CYS A 29 4.385 14.412 -7.493 1.00 0.00 C ATOM 459 O CYS A 29 4.582 15.610 -7.432 1.00 0.00 O ATOM 460 CB CYS A 29 5.826 13.065 -9.047 1.00 0.00 C ATOM 461 SG CYS A 29 7.592 12.723 -9.247 1.00 0.00 S ATOM 0 H CYS A 29 5.290 11.295 -7.517 1.00 0.00 H new ATOM 0 HA CYS A 29 6.405 13.867 -7.105 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.240 12.196 -9.347 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.528 13.889 -9.695 1.00 0.00 H new ATOM 0 HG CYS A 29 7.820 11.465 -9.013 1.00 0.00 H new ATOM 467 N GLU A 30 3.178 13.916 -7.481 1.00 0.00 N ATOM 468 CA GLU A 30 1.997 14.807 -7.393 1.00 0.00 C ATOM 469 C GLU A 30 1.526 14.927 -5.940 1.00 0.00 C ATOM 470 O GLU A 30 1.194 15.997 -5.470 1.00 0.00 O ATOM 471 CB GLU A 30 0.928 14.121 -8.246 1.00 0.00 C ATOM 472 CG GLU A 30 -0.382 14.905 -8.148 1.00 0.00 C ATOM 473 CD GLU A 30 -0.479 15.885 -9.318 1.00 0.00 C ATOM 474 OE1 GLU A 30 0.091 16.959 -9.214 1.00 0.00 O ATOM 475 OE2 GLU A 30 -1.121 15.545 -10.298 1.00 0.00 O ATOM 0 H GLU A 30 2.962 12.920 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 30 2.215 15.818 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.255 14.067 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.778 13.097 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.230 14.220 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.425 15.446 -7.202 1.00 0.00 H new ATOM 482 N LEU A 31 1.488 13.834 -5.228 1.00 0.00 N ATOM 483 CA LEU A 31 1.029 13.882 -3.810 1.00 0.00 C ATOM 484 C LEU A 31 2.155 14.371 -2.895 1.00 0.00 C ATOM 485 O LEU A 31 2.007 15.343 -2.181 1.00 0.00 O ATOM 486 CB LEU A 31 0.656 12.439 -3.474 1.00 0.00 C ATOM 487 CG LEU A 31 -0.631 12.066 -4.209 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.368 10.867 -5.122 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.716 11.703 -3.191 1.00 0.00 C ATOM 0 H LEU A 31 1.755 12.910 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 31 0.194 14.569 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.462 11.766 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.520 12.328 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.964 12.914 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.286 10.601 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.403 11.125 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.034 10.020 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.633 11.437 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.383 10.856 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.905 12.557 -2.540 1.00 0.00 H new ATOM 501 N GLY A 32 3.279 13.711 -2.913 1.00 0.00 N ATOM 502 CA GLY A 32 4.407 14.149 -2.045 1.00 0.00 C ATOM 503 C GLY A 32 4.637 13.129 -0.928 1.00 0.00 C ATOM 504 O GLY A 32 5.317 13.410 0.034 1.00 0.00 O ATOM 0 H GLY A 32 3.465 12.890 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.313 14.258 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.188 15.127 -1.616 1.00 0.00 H new ATOM 508 N HIS A 33 4.073 11.951 -1.046 1.00 0.00 N ATOM 509 CA HIS A 33 4.261 10.909 0.014 1.00 0.00 C ATOM 510 C HIS A 33 5.682 10.980 0.592 1.00 0.00 C ATOM 511 O HIS A 33 6.637 11.235 -0.115 1.00 0.00 O ATOM 512 CB HIS A 33 4.019 9.577 -0.700 1.00 0.00 C ATOM 513 CG HIS A 33 2.536 9.307 -0.760 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.765 9.641 -1.864 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.667 8.746 0.146 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.493 9.283 -1.595 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.380 8.733 -0.384 1.00 0.00 N ATOM 0 H HIS A 33 3.489 11.665 -1.832 1.00 0.00 H new ATOM 0 HA HIS A 33 3.583 11.045 0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.436 9.610 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.526 8.770 -0.171 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.942 8.372 1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.333 9.424 -2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.468 8.379 0.058 1.00 0.00 H new ATOM 525 N GLU A 34 5.820 10.783 1.877 1.00 0.00 N ATOM 526 CA GLU A 34 7.171 10.867 2.513 1.00 0.00 C ATOM 527 C GLU A 34 8.095 9.756 2.011 1.00 0.00 C ATOM 528 O GLU A 34 9.057 10.006 1.312 1.00 0.00 O ATOM 529 CB GLU A 34 6.916 10.700 4.012 1.00 0.00 C ATOM 530 CG GLU A 34 7.889 11.584 4.799 1.00 0.00 C ATOM 531 CD GLU A 34 7.878 11.173 6.272 1.00 0.00 C ATOM 532 OE1 GLU A 34 6.904 11.473 6.944 1.00 0.00 O ATOM 533 OE2 GLU A 34 8.844 10.568 6.705 1.00 0.00 O ATOM 0 H GLU A 34 5.055 10.567 2.516 1.00 0.00 H new ATOM 0 HA GLU A 34 7.664 11.809 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.888 10.973 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.043 9.656 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.895 11.487 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.605 12.632 4.701 1.00 0.00 H new ATOM 540 N VAL A 35 7.825 8.533 2.373 1.00 0.00 N ATOM 541 CA VAL A 35 8.704 7.417 1.925 1.00 0.00 C ATOM 542 C VAL A 35 7.858 6.269 1.374 1.00 0.00 C ATOM 543 O VAL A 35 7.315 5.473 2.115 1.00 0.00 O ATOM 544 CB VAL A 35 9.458 6.981 3.184 1.00 0.00 C ATOM 545 CG1 VAL A 35 8.457 6.679 4.300 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.278 5.724 2.885 1.00 0.00 C ATOM 0 H VAL A 35 7.036 8.258 2.958 1.00 0.00 H new ATOM 0 HA VAL A 35 9.384 7.716 1.128 1.00 0.00 H new ATOM 0 HB VAL A 35 10.126 7.783 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.994 6.369 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.874 7.574 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.788 5.879 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.813 5.417 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.612 4.922 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.994 5.937 2.091 1.00 0.00 H new ATOM 556 N ALA A 36 7.741 6.178 0.078 1.00 0.00 N ATOM 557 CA ALA A 36 6.935 5.089 -0.517 1.00 0.00 C ATOM 558 C ALA A 36 7.827 3.884 -0.808 1.00 0.00 C ATOM 559 O ALA A 36 9.037 3.972 -0.767 1.00 0.00 O ATOM 560 CB ALA A 36 6.381 5.676 -1.816 1.00 0.00 C ATOM 0 H ALA A 36 8.172 6.815 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 36 6.140 4.746 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.769 4.929 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.772 6.551 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.207 5.967 -2.465 1.00 0.00 H new ATOM 566 N ALA A 37 7.243 2.762 -1.114 1.00 0.00 N ATOM 567 CA ALA A 37 8.063 1.559 -1.418 1.00 0.00 C ATOM 568 C ALA A 37 7.679 1.034 -2.800 1.00 0.00 C ATOM 569 O ALA A 37 6.566 1.220 -3.250 1.00 0.00 O ATOM 570 CB ALA A 37 7.710 0.549 -0.328 1.00 0.00 C ATOM 0 H ALA A 37 6.234 2.625 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 37 9.134 1.762 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.277 -0.369 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.957 0.966 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.643 0.328 -0.369 1.00 0.00 H new ATOM 576 N THR A 38 8.585 0.404 -3.491 1.00 0.00 N ATOM 577 CA THR A 38 8.247 -0.090 -4.851 1.00 0.00 C ATOM 578 C THR A 38 8.708 -1.536 -5.054 1.00 0.00 C ATOM 579 O THR A 38 9.440 -2.092 -4.260 1.00 0.00 O ATOM 580 CB THR A 38 8.971 0.877 -5.797 1.00 0.00 C ATOM 581 OG1 THR A 38 8.177 1.067 -6.953 1.00 0.00 O ATOM 582 CG2 THR A 38 10.343 0.322 -6.200 1.00 0.00 C ATOM 0 H THR A 38 9.536 0.211 -3.176 1.00 0.00 H new ATOM 0 HA THR A 38 7.172 -0.110 -5.030 1.00 0.00 H new ATOM 0 HB THR A 38 9.124 1.827 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.264 1.304 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.837 1.025 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.954 0.180 -5.309 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.214 -0.634 -6.707 1.00 0.00 H new ATOM 590 N ALA A 39 8.272 -2.138 -6.124 1.00 0.00 N ATOM 591 CA ALA A 39 8.654 -3.547 -6.414 1.00 0.00 C ATOM 592 C ALA A 39 8.337 -4.412 -5.207 1.00 0.00 C ATOM 593 O ALA A 39 8.013 -3.904 -4.165 1.00 0.00 O ATOM 594 CB ALA A 39 10.153 -3.509 -6.668 1.00 0.00 C ATOM 0 H ALA A 39 7.660 -1.709 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 39 8.116 -3.963 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.510 -4.515 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.362 -2.855 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.663 -3.130 -5.782 1.00 0.00 H new ATOM 600 N SER A 40 8.422 -5.706 -5.327 1.00 0.00 N ATOM 601 CA SER A 40 8.115 -6.563 -4.148 1.00 0.00 C ATOM 602 C SER A 40 9.401 -6.904 -3.394 1.00 0.00 C ATOM 603 O SER A 40 10.313 -7.498 -3.933 1.00 0.00 O ATOM 604 CB SER A 40 7.447 -7.812 -4.708 1.00 0.00 C ATOM 605 OG SER A 40 8.397 -8.569 -5.446 1.00 0.00 O ATOM 0 H SER A 40 8.687 -6.203 -6.177 1.00 0.00 H new ATOM 0 HA SER A 40 7.462 -6.061 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.039 -8.414 -3.896 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.611 -7.533 -5.350 1.00 0.00 H new ATOM 0 HG SER A 40 9.298 -8.227 -5.267 1.00 0.00 H new ATOM 611 N ARG A 41 9.482 -6.509 -2.151 1.00 0.00 N ATOM 612 CA ARG A 41 10.706 -6.780 -1.358 1.00 0.00 C ATOM 613 C ARG A 41 10.347 -7.207 0.069 1.00 0.00 C ATOM 614 O ARG A 41 9.469 -6.645 0.693 1.00 0.00 O ATOM 615 CB ARG A 41 11.444 -5.444 -1.339 1.00 0.00 C ATOM 616 CG ARG A 41 12.937 -5.682 -1.119 1.00 0.00 C ATOM 617 CD ARG A 41 13.548 -6.266 -2.393 1.00 0.00 C ATOM 618 NE ARG A 41 14.383 -7.410 -1.929 1.00 0.00 N ATOM 619 CZ ARG A 41 14.811 -8.299 -2.786 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.433 -8.240 -4.034 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.619 -9.247 -2.396 1.00 0.00 N ATOM 0 H ARG A 41 8.746 -6.008 -1.653 1.00 0.00 H new ATOM 0 HA ARG A 41 11.303 -7.588 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.285 -4.917 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.047 -4.810 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.432 -4.746 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.089 -6.365 -0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.775 -6.597 -3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.150 -5.525 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 41 14.621 -7.499 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.803 -7.499 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.768 -8.935 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.917 -9.294 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.952 -9.940 -3.066 1.00 0.00 H new ATOM 635 N MET A 42 11.028 -8.190 0.594 1.00 0.00 N ATOM 636 CA MET A 42 10.735 -8.640 1.979 1.00 0.00 C ATOM 637 C MET A 42 11.413 -7.702 2.983 1.00 0.00 C ATOM 638 O MET A 42 10.883 -7.419 4.039 1.00 0.00 O ATOM 639 CB MET A 42 11.315 -10.051 2.070 1.00 0.00 C ATOM 640 CG MET A 42 10.665 -10.932 1.002 1.00 0.00 C ATOM 641 SD MET A 42 11.687 -12.402 0.730 1.00 0.00 S ATOM 642 CE MET A 42 13.159 -11.541 0.121 1.00 0.00 C ATOM 0 H MET A 42 11.774 -8.699 0.121 1.00 0.00 H new ATOM 0 HA MET A 42 9.669 -8.632 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.395 -10.023 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.135 -10.468 3.061 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.664 -11.225 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.556 -10.374 0.072 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.594 -12.103 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.881 -10.545 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.889 -11.456 0.926 1.00 0.00 H new ATOM 652 N GLN A 43 12.575 -7.204 2.651 1.00 0.00 N ATOM 653 CA GLN A 43 13.277 -6.270 3.575 1.00 0.00 C ATOM 654 C GLN A 43 12.359 -5.089 3.883 1.00 0.00 C ATOM 655 O GLN A 43 11.930 -4.898 5.004 1.00 0.00 O ATOM 656 CB GLN A 43 14.520 -5.805 2.813 1.00 0.00 C ATOM 657 CG GLN A 43 15.496 -5.135 3.784 1.00 0.00 C ATOM 658 CD GLN A 43 16.156 -3.936 3.100 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.608 -2.852 3.086 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.321 -4.084 2.530 1.00 0.00 N ATOM 0 H GLN A 43 13.067 -7.404 1.780 1.00 0.00 H new ATOM 0 HA GLN A 43 13.546 -6.736 4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.000 -6.654 2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.236 -5.106 2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.968 -4.810 4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.256 -5.849 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.782 -4.994 2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.770 -3.290 2.074 1.00 0.00 H new ATOM 669 N GLU A 44 12.033 -4.307 2.891 1.00 0.00 N ATOM 670 CA GLU A 44 11.120 -3.159 3.129 1.00 0.00 C ATOM 671 C GLU A 44 9.830 -3.682 3.755 1.00 0.00 C ATOM 672 O GLU A 44 9.355 -3.173 4.750 1.00 0.00 O ATOM 673 CB GLU A 44 10.842 -2.570 1.748 1.00 0.00 C ATOM 674 CG GLU A 44 11.494 -1.191 1.641 1.00 0.00 C ATOM 675 CD GLU A 44 11.727 -0.846 0.169 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.665 -1.377 -0.402 1.00 0.00 O ATOM 677 OE2 GLU A 44 10.963 -0.057 -0.361 1.00 0.00 O ATOM 0 H GLU A 44 12.359 -4.414 1.930 1.00 0.00 H new ATOM 0 HA GLU A 44 11.543 -2.411 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.233 -3.230 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.767 -2.490 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.856 -0.439 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.441 -1.182 2.181 1.00 0.00 H new ATOM 684 N ALA A 45 9.277 -4.719 3.184 1.00 0.00 N ATOM 685 CA ALA A 45 8.032 -5.306 3.748 1.00 0.00 C ATOM 686 C ALA A 45 8.252 -5.582 5.231 1.00 0.00 C ATOM 687 O ALA A 45 7.366 -5.445 6.047 1.00 0.00 O ATOM 688 CB ALA A 45 7.825 -6.611 2.981 1.00 0.00 C ATOM 0 H ALA A 45 9.636 -5.184 2.350 1.00 0.00 H new ATOM 0 HA ALA A 45 7.166 -4.650 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.923 -7.105 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.721 -6.395 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.683 -7.265 3.137 1.00 0.00 H new ATOM 694 N LEU A 46 9.445 -5.954 5.583 1.00 0.00 N ATOM 695 CA LEU A 46 9.751 -6.218 7.007 1.00 0.00 C ATOM 696 C LEU A 46 9.481 -4.952 7.818 1.00 0.00 C ATOM 697 O LEU A 46 8.858 -4.987 8.861 1.00 0.00 O ATOM 698 CB LEU A 46 11.237 -6.559 7.009 1.00 0.00 C ATOM 699 CG LEU A 46 11.585 -7.311 8.286 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.409 -6.381 9.484 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.658 -8.519 8.425 1.00 0.00 C ATOM 0 H LEU A 46 10.226 -6.087 4.940 1.00 0.00 H new ATOM 0 HA LEU A 46 9.150 -7.015 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.482 -7.167 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.830 -5.647 6.938 1.00 0.00 H new ATOM 0 HG LEU A 46 12.620 -7.652 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.657 -6.917 10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.069 -5.520 9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.374 -6.041 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.902 -9.062 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.623 -8.180 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.787 -9.177 7.566 1.00 0.00 H new ATOM 713 N ASP A 47 9.939 -3.830 7.334 1.00 0.00 N ATOM 714 CA ASP A 47 9.706 -2.555 8.060 1.00 0.00 C ATOM 715 C ASP A 47 8.207 -2.246 8.110 1.00 0.00 C ATOM 716 O ASP A 47 7.732 -1.590 9.014 1.00 0.00 O ATOM 717 CB ASP A 47 10.445 -1.494 7.244 1.00 0.00 C ATOM 718 CG ASP A 47 11.953 -1.632 7.465 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.398 -2.743 7.702 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.637 -0.624 7.393 1.00 0.00 O ATOM 0 H ASP A 47 10.466 -3.744 6.465 1.00 0.00 H new ATOM 0 HA ASP A 47 10.059 -2.594 9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.211 -1.607 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.114 -0.498 7.539 1.00 0.00 H new ATOM 725 N ILE A 48 7.454 -2.714 7.147 1.00 0.00 N ATOM 726 CA ILE A 48 5.991 -2.437 7.162 1.00 0.00 C ATOM 727 C ILE A 48 5.276 -3.473 8.040 1.00 0.00 C ATOM 728 O ILE A 48 4.126 -3.320 8.384 1.00 0.00 O ATOM 729 CB ILE A 48 5.500 -2.490 5.691 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.865 -3.850 5.370 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.657 -2.227 4.720 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.647 -3.968 3.861 1.00 0.00 C ATOM 0 H ILE A 48 7.787 -3.270 6.360 1.00 0.00 H new ATOM 0 HA ILE A 48 5.772 -1.457 7.585 1.00 0.00 H new ATOM 0 HB ILE A 48 4.747 -1.711 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.510 -4.656 5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.915 -3.953 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.289 -2.269 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.078 -1.240 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.429 -2.984 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.196 -4.934 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.985 -3.170 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.605 -3.884 3.347 1.00 0.00 H new ATOM 744 N ALA A 49 5.951 -4.526 8.404 1.00 0.00 N ATOM 745 CA ALA A 49 5.311 -5.559 9.258 1.00 0.00 C ATOM 746 C ALA A 49 5.618 -5.301 10.730 1.00 0.00 C ATOM 747 O ALA A 49 4.743 -5.324 11.573 1.00 0.00 O ATOM 748 CB ALA A 49 5.927 -6.882 8.804 1.00 0.00 C ATOM 0 H ALA A 49 6.920 -4.715 8.146 1.00 0.00 H new ATOM 0 HA ALA A 49 4.225 -5.558 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.505 -7.699 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.709 -7.041 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.007 -6.850 8.951 1.00 0.00 H new ATOM 754 N ARG A 50 6.856 -5.064 11.047 1.00 0.00 N ATOM 755 CA ARG A 50 7.226 -4.817 12.461 1.00 0.00 C ATOM 756 C ARG A 50 6.787 -3.415 12.887 1.00 0.00 C ATOM 757 O ARG A 50 6.771 -3.087 14.057 1.00 0.00 O ATOM 758 CB ARG A 50 8.746 -4.953 12.491 1.00 0.00 C ATOM 759 CG ARG A 50 9.121 -6.407 12.801 1.00 0.00 C ATOM 760 CD ARG A 50 8.528 -7.343 11.737 1.00 0.00 C ATOM 761 NE ARG A 50 8.561 -8.698 12.356 1.00 0.00 N ATOM 762 CZ ARG A 50 9.533 -9.522 12.074 1.00 0.00 C ATOM 763 NH1 ARG A 50 10.701 -9.057 11.725 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.336 -10.811 12.138 1.00 0.00 N ATOM 0 H ARG A 50 7.630 -5.031 10.384 1.00 0.00 H new ATOM 0 HA ARG A 50 6.744 -5.511 13.150 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.168 -4.654 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.167 -4.288 13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.205 -6.514 12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.750 -6.684 13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.510 -7.052 11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.112 -7.315 10.817 1.00 0.00 H new ATOM 0 HE ARG A 50 7.823 -8.982 13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.854 -8.050 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.461 -9.701 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.422 -11.174 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.096 -11.455 11.917 1.00 0.00 H new ATOM 778 N LYS A 51 6.429 -2.586 11.947 1.00 0.00 N ATOM 779 CA LYS A 51 5.987 -1.209 12.302 1.00 0.00 C ATOM 780 C LYS A 51 4.804 -1.268 13.270 1.00 0.00 C ATOM 781 O LYS A 51 4.792 -0.617 14.296 1.00 0.00 O ATOM 782 CB LYS A 51 5.558 -0.559 10.978 1.00 0.00 C ATOM 783 CG LYS A 51 4.636 -1.501 10.186 1.00 0.00 C ATOM 784 CD LYS A 51 3.178 -1.053 10.337 1.00 0.00 C ATOM 785 CE LYS A 51 2.262 -1.952 9.502 1.00 0.00 C ATOM 786 NZ LYS A 51 2.396 -3.302 10.113 1.00 0.00 N ATOM 0 H LYS A 51 6.423 -2.802 10.950 1.00 0.00 H new ATOM 0 HA LYS A 51 6.779 -0.643 12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.042 0.380 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.439 -0.318 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.919 -1.500 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.750 -2.523 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.883 -1.094 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.073 -0.016 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.230 -1.604 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.563 -1.960 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.626 -3.914 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.311 -3.716 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.345 -3.221 11.149 1.00 0.00 H new ATOM 800 N GLY A 52 3.806 -2.036 12.942 1.00 0.00 N ATOM 801 CA GLY A 52 2.613 -2.140 13.819 1.00 0.00 C ATOM 802 C GLY A 52 1.762 -0.857 13.734 1.00 0.00 C ATOM 803 O GLY A 52 0.679 -0.800 14.281 1.00 0.00 O ATOM 0 H GLY A 52 3.767 -2.602 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.013 -3.001 13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.926 -2.307 14.850 1.00 0.00 H new ATOM 807 N GLN A 53 2.229 0.178 13.071 1.00 0.00 N ATOM 808 CA GLN A 53 1.408 1.429 13.000 1.00 0.00 C ATOM 809 C GLN A 53 1.599 2.192 11.672 1.00 0.00 C ATOM 810 O GLN A 53 0.788 3.026 11.321 1.00 0.00 O ATOM 811 CB GLN A 53 1.903 2.274 14.171 1.00 0.00 C ATOM 812 CG GLN A 53 3.413 2.471 14.048 1.00 0.00 C ATOM 813 CD GLN A 53 3.801 3.825 14.640 1.00 0.00 C ATOM 814 OE1 GLN A 53 4.484 4.604 14.006 1.00 0.00 O ATOM 815 NE2 GLN A 53 3.389 4.141 15.837 1.00 0.00 N ATOM 0 H GLN A 53 3.125 0.211 12.585 1.00 0.00 H new ATOM 0 HA GLN A 53 0.343 1.202 13.049 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.398 3.240 14.177 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.664 1.784 15.115 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.938 1.671 14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.713 2.421 13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.815 3.486 16.368 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.640 5.043 16.241 1.00 0.00 H new ATOM 824 N PHE A 54 2.657 1.943 10.941 1.00 0.00 N ATOM 825 CA PHE A 54 2.867 2.687 9.654 1.00 0.00 C ATOM 826 C PHE A 54 1.553 2.811 8.869 1.00 0.00 C ATOM 827 O PHE A 54 0.559 2.189 9.185 1.00 0.00 O ATOM 828 CB PHE A 54 3.978 1.922 8.926 1.00 0.00 C ATOM 829 CG PHE A 54 3.463 1.100 7.776 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.307 0.320 7.907 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.186 1.086 6.581 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.879 -0.465 6.842 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.758 0.299 5.523 1.00 0.00 C ATOM 834 CZ PHE A 54 2.610 -0.479 5.656 1.00 0.00 C ATOM 0 H PHE A 54 3.381 1.263 11.174 1.00 0.00 H new ATOM 0 HA PHE A 54 3.174 3.723 9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.719 2.631 8.557 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.487 1.269 9.634 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.750 0.328 8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.077 1.688 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.983 -1.062 6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.314 0.289 4.597 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.284 -1.098 4.833 1.00 0.00 H new ATOM 844 N ASP A 55 1.528 3.687 7.904 1.00 0.00 N ATOM 845 CA ASP A 55 0.266 3.962 7.153 1.00 0.00 C ATOM 846 C ASP A 55 -0.243 2.821 6.255 1.00 0.00 C ATOM 847 O ASP A 55 -1.355 2.368 6.433 1.00 0.00 O ATOM 848 CB ASP A 55 0.587 5.193 6.310 1.00 0.00 C ATOM 849 CG ASP A 55 0.469 6.447 7.181 1.00 0.00 C ATOM 850 OD1 ASP A 55 1.289 6.604 8.070 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.439 7.226 6.944 1.00 0.00 O ATOM 0 H ASP A 55 2.335 4.231 7.599 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.548 4.096 7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.594 5.115 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.098 5.258 5.464 1.00 0.00 H new ATOM 856 N ILE A 56 0.483 2.392 5.250 1.00 0.00 N ATOM 857 CA ILE A 56 -0.132 1.342 4.353 1.00 0.00 C ATOM 858 C ILE A 56 0.865 0.354 3.726 1.00 0.00 C ATOM 859 O ILE A 56 2.023 0.659 3.516 1.00 0.00 O ATOM 860 CB ILE A 56 -0.822 2.168 3.277 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.935 2.988 3.954 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.385 1.228 2.205 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.949 3.486 2.931 1.00 0.00 C ATOM 0 H ILE A 56 1.426 2.699 5.013 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.792 0.690 4.925 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.126 2.849 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.439 2.375 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.497 3.837 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.881 1.814 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.572 0.654 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.104 0.546 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.724 4.062 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.447 4.118 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.403 2.634 2.424 1.00 0.00 H new ATOM 875 N ALA A 57 0.400 -0.858 3.443 1.00 0.00 N ATOM 876 CA ALA A 57 1.293 -1.920 2.866 1.00 0.00 C ATOM 877 C ALA A 57 0.662 -2.627 1.661 1.00 0.00 C ATOM 878 O ALA A 57 -0.187 -3.474 1.817 1.00 0.00 O ATOM 879 CB ALA A 57 1.407 -2.941 3.995 1.00 0.00 C ATOM 0 H ALA A 57 -0.566 -1.150 3.591 1.00 0.00 H new ATOM 0 HA ALA A 57 2.235 -1.492 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.044 -3.766 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.843 -2.465 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.416 -3.322 4.243 1.00 0.00 H new ATOM 885 N ILE A 58 1.104 -2.351 0.471 1.00 0.00 N ATOM 886 CA ILE A 58 0.535 -3.071 -0.695 1.00 0.00 C ATOM 887 C ILE A 58 1.531 -4.135 -1.141 1.00 0.00 C ATOM 888 O ILE A 58 2.712 -3.883 -1.257 1.00 0.00 O ATOM 889 CB ILE A 58 0.329 -2.009 -1.763 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.902 -1.176 -1.410 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.117 -2.683 -3.119 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.462 0.111 -0.709 1.00 0.00 C ATOM 0 H ILE A 58 1.828 -1.665 0.256 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.405 -3.578 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 58 1.207 -1.364 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.464 -0.937 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.567 -1.747 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.031 -1.921 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.992 -3.283 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.762 -3.326 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.340 0.706 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.081 -0.139 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.186 0.683 -1.373 1.00 0.00 H new ATOM 904 N ILE A 59 1.065 -5.328 -1.360 1.00 0.00 N ATOM 905 CA ILE A 59 1.975 -6.433 -1.765 1.00 0.00 C ATOM 906 C ILE A 59 1.194 -7.478 -2.557 1.00 0.00 C ATOM 907 O ILE A 59 0.820 -8.503 -2.033 1.00 0.00 O ATOM 908 CB ILE A 59 2.465 -7.038 -0.448 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.907 -5.925 0.503 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.640 -7.965 -0.728 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.544 -6.540 1.750 1.00 0.00 C ATOM 0 H ILE A 59 0.083 -5.589 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 59 2.796 -6.088 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 59 1.655 -7.601 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.620 -5.268 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.051 -5.312 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.993 -8.398 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.322 -8.762 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.447 -7.399 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.859 -5.746 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.817 -7.179 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.411 -7.134 1.460 1.00 0.00 H new ATOM 923 N ASP A 60 0.937 -7.224 -3.806 1.00 0.00 N ATOM 924 CA ASP A 60 0.159 -8.210 -4.619 1.00 0.00 C ATOM 925 C ASP A 60 0.575 -9.642 -4.274 1.00 0.00 C ATOM 926 O ASP A 60 1.739 -9.991 -4.312 1.00 0.00 O ATOM 927 CB ASP A 60 0.495 -7.890 -6.069 1.00 0.00 C ATOM 928 CG ASP A 60 -0.712 -7.234 -6.743 1.00 0.00 C ATOM 929 OD1 ASP A 60 -0.894 -6.042 -6.555 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.436 -7.934 -7.431 1.00 0.00 O ATOM 0 H ASP A 60 1.228 -6.382 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.911 -8.140 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.356 -7.224 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.769 -8.802 -6.599 1.00 0.00 H new ATOM 935 N VAL A 61 -0.373 -10.470 -3.925 1.00 0.00 N ATOM 936 CA VAL A 61 -0.041 -11.879 -3.562 1.00 0.00 C ATOM 937 C VAL A 61 -0.243 -12.803 -4.763 1.00 0.00 C ATOM 938 O VAL A 61 -0.141 -14.009 -4.657 1.00 0.00 O ATOM 939 CB VAL A 61 -1.007 -12.235 -2.429 1.00 0.00 C ATOM 940 CG1 VAL A 61 -2.418 -12.443 -2.987 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.537 -13.518 -1.741 1.00 0.00 C ATOM 0 H VAL A 61 -1.364 -10.232 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 61 0.999 -11.992 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.026 -11.418 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.098 -12.696 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.757 -11.527 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.406 -13.255 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.225 -13.771 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.513 -14.332 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.462 -13.367 -1.332 1.00 0.00 H new ATOM 951 N ASN A 62 -0.527 -12.244 -5.902 1.00 0.00 N ATOM 952 CA ASN A 62 -0.735 -13.081 -7.114 1.00 0.00 C ATOM 953 C ASN A 62 -0.148 -12.372 -8.333 1.00 0.00 C ATOM 954 O ASN A 62 -0.433 -12.715 -9.464 1.00 0.00 O ATOM 955 CB ASN A 62 -2.249 -13.204 -7.246 1.00 0.00 C ATOM 956 CG ASN A 62 -2.680 -14.645 -6.961 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.564 -15.166 -7.612 1.00 0.00 O ATOM 958 ND2 ASN A 62 -2.091 -15.314 -6.007 1.00 0.00 N ATOM 0 H ASN A 62 -0.625 -11.239 -6.048 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.252 -14.056 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.740 -12.524 -6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.560 -12.913 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.373 -16.274 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.349 -14.877 -5.461 1.00 0.00 H new ATOM 965 N LEU A 63 0.669 -11.382 -8.107 1.00 0.00 N ATOM 966 CA LEU A 63 1.278 -10.641 -9.244 1.00 0.00 C ATOM 967 C LEU A 63 2.744 -11.039 -9.396 1.00 0.00 C ATOM 968 O LEU A 63 3.502 -11.028 -8.447 1.00 0.00 O ATOM 969 CB LEU A 63 1.152 -9.168 -8.862 1.00 0.00 C ATOM 970 CG LEU A 63 1.378 -8.300 -10.098 1.00 0.00 C ATOM 971 CD1 LEU A 63 0.482 -8.789 -11.237 1.00 0.00 C ATOM 972 CD2 LEU A 63 1.032 -6.848 -9.766 1.00 0.00 C ATOM 0 H LEU A 63 0.942 -11.054 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 63 0.791 -10.855 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.165 -8.973 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.880 -8.918 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 63 2.422 -8.367 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.644 -8.169 -12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.725 -9.825 -11.472 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.563 -8.722 -10.933 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.192 -6.225 -10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.012 -6.783 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.669 -6.499 -8.954 1.00 0.00 H new ATOM 984 N ASP A 64 3.143 -11.402 -10.585 1.00 0.00 N ATOM 985 CA ASP A 64 4.559 -11.823 -10.824 1.00 0.00 C ATOM 986 C ASP A 64 4.810 -13.240 -10.284 1.00 0.00 C ATOM 987 O ASP A 64 5.795 -13.867 -10.620 1.00 0.00 O ATOM 988 CB ASP A 64 5.430 -10.797 -10.092 1.00 0.00 C ATOM 989 CG ASP A 64 6.819 -10.761 -10.729 1.00 0.00 C ATOM 990 OD1 ASP A 64 6.907 -10.401 -11.892 1.00 0.00 O ATOM 991 OD2 ASP A 64 7.772 -11.092 -10.044 1.00 0.00 O ATOM 0 H ASP A 64 2.545 -11.426 -11.411 1.00 0.00 H new ATOM 0 HA ASP A 64 4.790 -11.854 -11.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.969 -9.811 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.509 -11.058 -9.037 1.00 0.00 H new ATOM 996 N GLY A 65 3.931 -13.765 -9.465 1.00 0.00 N ATOM 997 CA GLY A 65 4.150 -15.145 -8.944 1.00 0.00 C ATOM 998 C GLY A 65 3.950 -15.185 -7.428 1.00 0.00 C ATOM 999 O GLY A 65 4.646 -15.886 -6.721 1.00 0.00 O ATOM 0 H GLY A 65 3.082 -13.302 -9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.458 -15.836 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.158 -15.478 -9.192 1.00 0.00 H new ATOM 1003 N GLU A 66 2.999 -14.454 -6.927 1.00 0.00 N ATOM 1004 CA GLU A 66 2.744 -14.463 -5.458 1.00 0.00 C ATOM 1005 C GLU A 66 3.976 -13.987 -4.679 1.00 0.00 C ATOM 1006 O GLU A 66 4.507 -14.707 -3.858 1.00 0.00 O ATOM 1007 CB GLU A 66 2.433 -15.920 -5.116 1.00 0.00 C ATOM 1008 CG GLU A 66 1.357 -16.453 -6.063 1.00 0.00 C ATOM 1009 CD GLU A 66 1.723 -17.872 -6.499 1.00 0.00 C ATOM 1010 OE1 GLU A 66 2.629 -18.008 -7.304 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.094 -18.799 -6.017 1.00 0.00 O ATOM 0 H GLU A 66 2.384 -13.848 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 66 1.929 -13.790 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.336 -16.524 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.093 -15.997 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.387 -16.452 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.270 -15.804 -6.934 1.00 0.00 H new ATOM 1018 N PRO A 67 4.375 -12.776 -4.953 1.00 0.00 N ATOM 1019 CA PRO A 67 5.540 -12.175 -4.264 1.00 0.00 C ATOM 1020 C PRO A 67 5.098 -11.536 -2.941 1.00 0.00 C ATOM 1021 O PRO A 67 5.697 -10.595 -2.461 1.00 0.00 O ATOM 1022 CB PRO A 67 6.009 -11.108 -5.245 1.00 0.00 C ATOM 1023 CG PRO A 67 4.802 -10.749 -6.064 1.00 0.00 C ATOM 1024 CD PRO A 67 3.788 -11.862 -5.930 1.00 0.00 C ATOM 0 HA PRO A 67 6.318 -12.896 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.398 -10.236 -4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.813 -11.484 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.377 -9.806 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.080 -10.612 -7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.825 -11.482 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.615 -12.359 -6.885 1.00 0.00 H new ATOM 1032 N SER A 68 4.041 -12.037 -2.361 1.00 0.00 N ATOM 1033 CA SER A 68 3.528 -11.470 -1.080 1.00 0.00 C ATOM 1034 C SER A 68 4.253 -12.085 0.120 1.00 0.00 C ATOM 1035 O SER A 68 3.965 -11.774 1.256 1.00 0.00 O ATOM 1036 CB SER A 68 2.056 -11.873 -1.069 1.00 0.00 C ATOM 1037 OG SER A 68 1.251 -10.734 -1.347 1.00 0.00 O ATOM 0 H SER A 68 3.504 -12.825 -2.725 1.00 0.00 H new ATOM 0 HA SER A 68 3.679 -10.393 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.875 -12.650 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.790 -12.292 -0.099 1.00 0.00 H new ATOM 0 HG SER A 68 1.756 -10.104 -1.903 1.00 0.00 H new ATOM 1043 N TYR A 69 5.177 -12.967 -0.124 1.00 0.00 N ATOM 1044 CA TYR A 69 5.907 -13.627 0.997 1.00 0.00 C ATOM 1045 C TYR A 69 4.913 -14.169 2.029 1.00 0.00 C ATOM 1046 O TYR A 69 3.713 -13.936 1.949 1.00 0.00 O ATOM 1047 CB TYR A 69 6.827 -12.580 1.661 1.00 0.00 C ATOM 1048 CG TYR A 69 6.785 -11.242 0.953 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.605 -11.015 -0.156 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.945 -10.225 1.423 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.585 -9.770 -0.793 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.920 -8.982 0.784 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.743 -8.753 -0.325 1.00 0.00 C ATOM 1054 OH TYR A 69 6.732 -7.524 -0.954 1.00 0.00 O ATOM 0 H TYR A 69 5.462 -13.263 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 69 6.496 -14.460 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.530 -12.447 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.851 -12.953 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.252 -11.799 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.314 -10.402 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.220 -9.592 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.268 -8.201 1.145 1.00 0.00 H new ATOM 0 HH TYR A 69 7.172 -7.599 -1.827 1.00 0.00 H new ATOM 1064 N PRO A 70 5.454 -14.881 2.975 1.00 0.00 N ATOM 1065 CA PRO A 70 4.624 -15.477 4.042 1.00 0.00 C ATOM 1066 C PRO A 70 4.055 -14.388 4.952 1.00 0.00 C ATOM 1067 O PRO A 70 3.293 -14.667 5.856 1.00 0.00 O ATOM 1068 CB PRO A 70 5.600 -16.379 4.795 1.00 0.00 C ATOM 1069 CG PRO A 70 6.948 -15.799 4.520 1.00 0.00 C ATOM 1070 CD PRO A 70 6.879 -15.188 3.146 1.00 0.00 C ATOM 0 HA PRO A 70 3.761 -16.024 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.385 -16.389 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.535 -17.410 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.206 -15.047 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.718 -16.569 4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.494 -14.291 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.235 -15.879 2.382 1.00 0.00 H new ATOM 1078 N VAL A 71 4.403 -13.145 4.729 1.00 0.00 N ATOM 1079 CA VAL A 71 3.848 -12.085 5.609 1.00 0.00 C ATOM 1080 C VAL A 71 2.635 -11.423 4.958 1.00 0.00 C ATOM 1081 O VAL A 71 1.566 -11.452 5.527 1.00 0.00 O ATOM 1082 CB VAL A 71 4.982 -11.093 5.896 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.139 -11.831 6.572 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.484 -10.451 4.603 1.00 0.00 C ATOM 0 H VAL A 71 5.033 -12.828 3.992 1.00 0.00 H new ATOM 0 HA VAL A 71 3.487 -12.500 6.550 1.00 0.00 H new ATOM 0 HB VAL A 71 4.600 -10.309 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.947 -11.129 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.793 -12.271 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.502 -12.620 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.288 -9.751 4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.857 -11.226 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.665 -9.917 4.120 1.00 0.00 H new ATOM 1094 N ALA A 72 2.752 -10.871 3.767 1.00 0.00 N ATOM 1095 CA ALA A 72 1.542 -10.282 3.112 1.00 0.00 C ATOM 1096 C ALA A 72 0.388 -11.233 3.366 1.00 0.00 C ATOM 1097 O ALA A 72 -0.726 -10.847 3.670 1.00 0.00 O ATOM 1098 CB ALA A 72 1.875 -10.289 1.633 1.00 0.00 C ATOM 0 H ALA A 72 3.618 -10.805 3.232 1.00 0.00 H new ATOM 0 HA ALA A 72 1.282 -9.286 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.040 -9.872 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.767 -9.687 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.058 -11.313 1.306 1.00 0.00 H new ATOM 1104 N ASP A 73 0.692 -12.495 3.276 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.323 -13.531 3.541 1.00 0.00 C ATOM 1106 C ASP A 73 -0.817 -13.389 4.976 1.00 0.00 C ATOM 1107 O ASP A 73 -1.994 -13.244 5.243 1.00 0.00 O ATOM 1108 CB ASP A 73 0.448 -14.828 3.401 1.00 0.00 C ATOM 1109 CG ASP A 73 0.522 -15.236 1.928 1.00 0.00 C ATOM 1110 OD1 ASP A 73 0.080 -14.461 1.095 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.019 -16.317 1.657 1.00 0.00 O ATOM 0 H ASP A 73 1.615 -12.851 3.026 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.187 -13.472 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.453 -14.708 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.037 -15.613 3.981 1.00 0.00 H new ATOM 1116 N ILE A 74 0.101 -13.424 5.901 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.276 -13.284 7.334 1.00 0.00 C ATOM 1118 C ILE A 74 -0.921 -11.919 7.542 1.00 0.00 C ATOM 1119 O ILE A 74 -1.881 -11.771 8.272 1.00 0.00 O ATOM 1120 CB ILE A 74 1.036 -13.392 8.114 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.469 -14.857 8.182 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.832 -12.861 9.533 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.639 -15.001 9.157 1.00 0.00 C ATOM 0 H ILE A 74 1.099 -13.544 5.725 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.988 -14.041 7.662 1.00 0.00 H new ATOM 0 HB ILE A 74 1.805 -12.805 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.634 -15.479 8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.762 -15.207 7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.767 -12.938 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.521 -11.817 9.490 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.063 -13.448 10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.947 -16.046 9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.475 -14.392 8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.330 -14.668 10.148 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.405 -10.922 6.881 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.986 -9.565 7.005 1.00 0.00 C ATOM 1137 C LEU A 75 -2.484 -9.644 6.707 1.00 0.00 C ATOM 1138 O LEU A 75 -3.262 -8.814 7.132 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.243 -8.735 5.954 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.217 -7.270 6.387 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.489 -7.156 7.739 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.543 -6.445 5.345 1.00 0.00 C ATOM 0 H LEU A 75 0.399 -10.993 6.257 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.881 -9.127 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.774 -9.108 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.734 -8.830 4.986 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.237 -6.896 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.510 -6.112 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.048 -7.746 8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.510 -7.528 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.562 -5.399 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.564 -6.817 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.044 -6.530 4.379 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.885 -10.658 5.987 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.322 -10.838 5.662 1.00 0.00 C ATOM 1156 C ALA A 76 -4.967 -11.787 6.678 1.00 0.00 C ATOM 1157 O ALA A 76 -6.173 -11.881 6.783 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.331 -11.456 4.265 1.00 0.00 C ATOM 0 H ALA A 76 -2.267 -11.375 5.608 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.882 -9.904 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.360 -11.622 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.840 -10.780 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.799 -12.407 4.284 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.164 -12.498 7.423 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.718 -13.441 8.433 1.00 0.00 C ATOM 1166 C GLU A 77 -5.050 -12.679 9.729 1.00 0.00 C ATOM 1167 O GLU A 77 -5.823 -13.134 10.549 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.606 -14.494 8.627 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.205 -14.630 10.102 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.552 -15.996 10.326 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.419 -16.732 9.362 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.197 -16.282 11.457 1.00 0.00 O ATOM 0 H GLU A 77 -3.146 -12.465 7.374 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.650 -13.915 8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.949 -15.459 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.733 -14.215 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.513 -13.834 10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.082 -14.525 10.740 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.475 -11.520 9.907 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.756 -10.718 11.133 1.00 0.00 C ATOM 1181 C ARG A 78 -5.112 -9.272 10.752 1.00 0.00 C ATOM 1182 O ARG A 78 -5.864 -8.607 11.435 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.470 -10.775 11.968 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.306 -10.157 11.191 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.485 -9.264 12.126 1.00 0.00 C ATOM 1186 NE ARG A 78 -1.117 -10.137 13.276 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.098 -10.111 13.755 1.00 0.00 C ATOM 1188 NH1 ARG A 78 1.008 -10.911 13.271 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.404 -9.286 14.720 1.00 0.00 N ATOM 0 H ARG A 78 -3.820 -11.092 9.253 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.605 -11.109 11.694 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.614 -10.241 12.907 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.238 -11.809 12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.675 -10.942 10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.684 -9.573 10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.597 -8.879 11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.064 -8.401 12.456 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.815 -10.756 13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.771 -11.557 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.957 -10.890 13.645 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.306 -8.661 15.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.353 -9.267 15.093 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.597 -8.802 9.646 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.905 -7.420 9.161 1.00 0.00 C ATOM 1205 C ASN A 79 -4.859 -6.371 10.283 1.00 0.00 C ATOM 1206 O ASN A 79 -5.700 -6.331 11.159 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.320 -7.479 8.556 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.905 -8.894 8.631 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.572 -9.241 9.584 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.672 -9.726 7.661 1.00 0.00 N ATOM 0 H ASN A 79 -3.962 -9.328 9.045 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.154 -7.113 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.973 -6.786 9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.286 -7.153 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.050 -10.673 7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.111 -9.433 6.861 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.900 -5.487 10.217 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.793 -4.387 11.221 1.00 0.00 C ATOM 1219 C VAL A 80 -4.121 -3.072 10.480 1.00 0.00 C ATOM 1220 O VAL A 80 -4.827 -3.120 9.495 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.338 -4.463 11.700 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.008 -5.906 12.082 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.402 -4.016 10.574 1.00 0.00 C ATOM 0 H VAL A 80 -3.175 -5.480 9.499 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.468 -4.453 12.074 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.207 -3.811 12.564 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.974 -5.965 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.673 -6.232 12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.141 -6.552 11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.369 -4.071 10.917 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.533 -4.669 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.637 -2.990 10.292 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.614 -1.939 10.923 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.909 -0.683 10.194 1.00 0.00 C ATOM 1235 C PRO A 81 -3.026 -0.638 8.951 1.00 0.00 C ATOM 1236 O PRO A 81 -1.817 -0.681 9.048 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.543 0.414 11.181 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.541 -0.204 12.106 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.753 -1.702 12.087 1.00 0.00 C ATOM 0 HA PRO A 81 -4.943 -0.585 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.124 1.280 10.669 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.421 0.761 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.527 0.042 11.790 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.663 0.186 13.117 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.807 -2.235 11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.226 -2.047 13.007 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.620 -0.590 7.787 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.819 -0.602 6.537 1.00 0.00 C ATOM 1249 C PHE A 82 -3.742 -0.676 5.320 1.00 0.00 C ATOM 1250 O PHE A 82 -4.838 -0.151 5.309 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.991 -1.898 6.618 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.873 -3.111 6.338 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.144 -3.231 6.930 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.408 -4.128 5.491 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.938 -4.359 6.675 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.208 -5.254 5.236 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.468 -5.368 5.828 1.00 0.00 C ATOM 0 H PHE A 82 -4.630 -0.543 7.653 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.205 0.293 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.174 -1.861 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.541 -1.988 7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.509 -2.452 7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.433 -4.045 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.912 -4.448 7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.848 -6.033 4.581 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.080 -6.236 5.632 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.291 -1.355 4.308 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.092 -1.529 3.076 1.00 0.00 C ATOM 1269 C ILE A 83 -3.379 -2.567 2.223 1.00 0.00 C ATOM 1270 O ILE A 83 -2.175 -2.661 2.273 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.110 -0.147 2.423 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.505 0.473 2.546 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.724 -0.230 0.939 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.419 1.973 2.264 1.00 0.00 C ATOM 0 H ILE A 83 -2.377 -1.807 4.286 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.113 -1.876 3.235 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.380 0.476 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.190 -0.002 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.905 0.302 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.746 0.768 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.720 -0.645 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.432 -0.872 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.411 2.417 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.748 2.441 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.037 2.132 1.256 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.091 -3.351 1.465 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.400 -4.386 0.648 1.00 0.00 C ATOM 1288 C PHE A 84 -4.213 -4.753 -0.586 1.00 0.00 C ATOM 1289 O PHE A 84 -5.426 -4.626 -0.628 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.302 -5.587 1.579 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.445 -6.675 0.964 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.915 -7.400 -0.140 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.188 -6.976 1.509 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.133 -8.419 -0.698 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.410 -7.991 0.948 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.882 -8.714 -0.154 1.00 0.00 C ATOM 0 H PHE A 84 -5.107 -3.322 1.375 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.432 -4.039 0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.877 -5.279 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.299 -5.976 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.883 -7.172 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.822 -6.423 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.498 -8.976 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.559 -8.219 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.278 -9.500 -0.583 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.558 -5.235 -1.589 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.294 -5.632 -2.801 1.00 0.00 C ATOM 1308 C ALA A 85 -3.731 -6.936 -3.340 1.00 0.00 C ATOM 1309 O ALA A 85 -2.654 -7.359 -2.972 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.094 -4.509 -3.805 1.00 0.00 C ATOM 0 H ALA A 85 -2.548 -5.371 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.353 -5.791 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.620 -4.749 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.488 -3.579 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.030 -4.392 -4.013 1.00 0.00 H new ATOM 1316 N THR A 86 -4.447 -7.579 -4.205 1.00 0.00 N ATOM 1317 CA THR A 86 -3.941 -8.863 -4.756 1.00 0.00 C ATOM 1318 C THR A 86 -4.628 -9.174 -6.084 1.00 0.00 C ATOM 1319 O THR A 86 -5.494 -8.448 -6.530 1.00 0.00 O ATOM 1320 CB THR A 86 -4.298 -9.915 -3.708 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.245 -11.203 -4.303 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.709 -9.658 -3.174 1.00 0.00 C ATOM 0 H THR A 86 -5.356 -7.278 -4.556 1.00 0.00 H new ATOM 0 HA THR A 86 -2.869 -8.833 -4.952 1.00 0.00 H new ATOM 0 HB THR A 86 -3.588 -9.860 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.058 -11.702 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.958 -10.412 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.751 -8.668 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.424 -9.711 -3.995 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.254 -10.247 -6.720 1.00 0.00 N ATOM 1331 CA GLY A 87 -4.891 -10.595 -8.018 1.00 0.00 C ATOM 1332 C GLY A 87 -6.155 -11.421 -7.772 1.00 0.00 C ATOM 1333 O GLY A 87 -6.578 -12.183 -8.618 1.00 0.00 O ATOM 0 H GLY A 87 -3.537 -10.897 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.141 -9.686 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.192 -11.158 -8.637 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.767 -11.283 -6.624 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.003 -12.075 -6.355 1.00 0.00 C ATOM 1339 C TYR A 88 -9.002 -11.302 -5.479 1.00 0.00 C ATOM 1340 O TYR A 88 -10.113 -11.750 -5.277 1.00 0.00 O ATOM 1341 CB TYR A 88 -7.523 -13.349 -5.649 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.206 -13.067 -4.197 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.234 -12.776 -3.289 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -5.879 -13.113 -3.757 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.930 -12.525 -1.946 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.576 -12.861 -2.415 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.601 -12.568 -1.510 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.299 -12.320 -0.187 1.00 0.00 O ATOM 0 H TYR A 88 -6.469 -10.664 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.537 -12.296 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.291 -14.119 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.637 -13.738 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.260 -12.746 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.087 -13.343 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.721 -12.298 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.551 -12.893 -2.078 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.331 -12.391 -0.054 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.642 -10.153 -4.955 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.619 -9.409 -4.111 1.00 0.00 C ATOM 1360 C GLY A 89 -9.375 -9.705 -2.631 1.00 0.00 C ATOM 1361 O GLY A 89 -10.028 -10.548 -2.051 1.00 0.00 O ATOM 0 H GLY A 89 -7.731 -9.709 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.527 -8.338 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.636 -9.693 -4.383 1.00 0.00 H new ATOM 1365 N SER A 90 -8.443 -8.996 -2.033 1.00 0.00 N ATOM 1366 CA SER A 90 -8.107 -9.170 -0.576 1.00 0.00 C ATOM 1367 C SER A 90 -9.056 -10.121 0.133 1.00 0.00 C ATOM 1368 O SER A 90 -10.250 -9.908 0.192 1.00 0.00 O ATOM 1369 CB SER A 90 -8.233 -7.767 0.008 1.00 0.00 C ATOM 1370 OG SER A 90 -7.131 -6.975 -0.420 1.00 0.00 O ATOM 0 H SER A 90 -7.886 -8.285 -2.506 1.00 0.00 H new ATOM 0 HA SER A 90 -7.116 -9.606 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.169 -7.310 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.259 -7.815 1.097 1.00 0.00 H new ATOM 0 HG SER A 90 -7.290 -6.038 -0.183 1.00 0.00 H new ATOM 1376 N LYS A 91 -8.517 -11.169 0.680 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.354 -12.148 1.405 1.00 0.00 C ATOM 1378 C LYS A 91 -10.139 -11.432 2.507 1.00 0.00 C ATOM 1379 O LYS A 91 -9.725 -11.393 3.649 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.352 -13.129 2.005 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.083 -14.034 2.978 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.082 -14.924 3.719 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.430 -14.133 4.858 1.00 0.00 C ATOM 1384 NZ LYS A 91 -6.397 -15.047 5.417 1.00 0.00 N ATOM 0 H LYS A 91 -7.521 -11.389 0.654 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.083 -12.647 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.884 -13.720 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.555 -12.590 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.647 -13.434 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.804 -14.651 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.588 -15.803 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.318 -15.282 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.983 -13.209 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.163 -13.855 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.446 -15.032 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.569 -16.015 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.454 -14.734 5.110 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.261 -10.852 2.170 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.067 -10.125 3.196 1.00 0.00 C ATOM 1400 C GLY A 92 -11.129 -9.342 4.118 1.00 0.00 C ATOM 1401 O GLY A 92 -11.427 -9.110 5.273 1.00 0.00 O ATOM 0 H GLY A 92 -11.654 -10.850 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.767 -9.446 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.659 -10.832 3.777 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.989 -8.944 3.617 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.021 -8.188 4.466 1.00 0.00 C ATOM 1407 C LEU A 93 -9.727 -7.075 5.250 1.00 0.00 C ATOM 1408 O LEU A 93 -10.493 -6.297 4.722 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.949 -7.654 3.497 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.328 -6.300 2.862 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.763 -6.309 2.316 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.169 -5.182 3.898 1.00 0.00 C ATOM 0 H LEU A 93 -9.686 -9.110 2.657 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.562 -8.817 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.005 -7.546 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.785 -8.386 2.706 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.656 -6.123 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.991 -5.338 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.858 -7.083 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.460 -6.513 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.437 -4.227 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.823 -5.378 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.134 -5.145 4.237 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.478 -7.009 6.525 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.133 -5.963 7.358 1.00 0.00 C ATOM 1426 C ASP A 94 -9.102 -4.936 7.809 1.00 0.00 C ATOM 1427 O ASP A 94 -7.929 -5.233 7.922 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.731 -6.705 8.555 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.724 -7.726 9.086 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.872 -7.336 9.867 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.822 -8.881 8.702 1.00 0.00 O ATOM 0 H ASP A 94 -8.849 -7.634 7.028 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.902 -5.419 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.993 -5.996 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.652 -7.208 8.260 1.00 0.00 H new ATOM 1436 N THR A 95 -9.519 -3.731 8.065 1.00 0.00 N ATOM 1437 CA THR A 95 -8.540 -2.702 8.501 1.00 0.00 C ATOM 1438 C THR A 95 -9.247 -1.467 9.043 1.00 0.00 C ATOM 1439 O THR A 95 -10.345 -1.136 8.639 1.00 0.00 O ATOM 1440 CB THR A 95 -7.775 -2.336 7.230 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.877 -1.274 7.509 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.762 -1.901 6.145 1.00 0.00 C ATOM 0 H THR A 95 -10.486 -3.416 7.992 1.00 0.00 H new ATOM 0 HA THR A 95 -7.895 -3.073 9.298 1.00 0.00 H new ATOM 0 HB THR A 95 -7.215 -3.203 6.881 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.341 -1.081 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.215 -1.640 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.451 -2.718 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.325 -1.034 6.491 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.601 -0.750 9.920 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.215 0.496 10.440 1.00 0.00 C ATOM 1452 C ARG A 96 -9.490 1.415 9.248 1.00 0.00 C ATOM 1453 O ARG A 96 -10.251 2.359 9.326 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.155 1.107 11.360 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.809 0.113 12.473 1.00 0.00 C ATOM 1456 CD ARG A 96 -9.053 -0.158 13.321 1.00 0.00 C ATOM 1457 NE ARG A 96 -8.529 -0.621 14.637 1.00 0.00 N ATOM 1458 CZ ARG A 96 -8.473 -1.897 14.906 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -9.481 -2.671 14.610 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -7.411 -2.400 15.473 1.00 0.00 N ATOM 0 H ARG A 96 -7.679 -0.974 10.295 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.151 0.335 10.974 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.261 1.354 10.788 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.525 2.037 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.440 -0.818 12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.011 0.514 13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.659 0.741 13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.688 -0.915 12.860 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.214 0.060 15.328 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.313 -2.279 14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.437 -3.668 14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.623 -1.796 15.707 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.369 -3.397 15.683 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.855 1.127 8.141 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.034 1.945 6.915 1.00 0.00 C ATOM 1476 C TYR A 97 -10.434 1.749 6.327 1.00 0.00 C ATOM 1477 O TYR A 97 -10.912 2.560 5.559 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.953 1.407 5.982 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.639 2.041 6.360 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.927 1.560 7.466 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.140 3.117 5.618 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.715 2.156 7.830 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.927 3.712 5.982 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.214 3.231 7.087 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.017 3.818 7.445 1.00 0.00 O ATOM 0 H TYR A 97 -8.209 0.344 8.038 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.945 3.017 7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.888 0.322 6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.199 1.635 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.314 0.729 8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.690 3.488 4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.166 1.787 8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.540 4.543 5.410 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.314 3.136 7.476 1.00 0.00 H new ATOM 1495 N SER A 98 -11.101 0.685 6.691 1.00 0.00 N ATOM 1496 CA SER A 98 -12.479 0.439 6.169 1.00 0.00 C ATOM 1497 C SER A 98 -12.440 0.013 4.698 1.00 0.00 C ATOM 1498 O SER A 98 -13.350 0.291 3.942 1.00 0.00 O ATOM 1499 CB SER A 98 -13.219 1.769 6.323 1.00 0.00 C ATOM 1500 OG SER A 98 -14.409 1.562 7.072 1.00 0.00 O ATOM 0 H SER A 98 -10.749 -0.028 7.330 1.00 0.00 H new ATOM 0 HA SER A 98 -12.973 -0.366 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.582 2.497 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.460 2.180 5.342 1.00 0.00 H new ATOM 0 HG SER A 98 -14.884 2.413 7.173 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.403 -0.670 4.286 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.327 -1.124 2.865 1.00 0.00 C ATOM 1508 C ASN A 99 -11.404 0.060 1.895 1.00 0.00 C ATOM 1509 O ASN A 99 -12.428 0.700 1.761 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.545 -2.029 2.688 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.168 -3.477 3.002 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.755 -4.397 2.467 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.214 -3.722 3.854 1.00 0.00 N ATOM 0 H ASN A 99 -10.608 -0.932 4.869 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.386 -1.631 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.350 -1.703 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.919 -1.955 1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.960 -4.685 4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.721 -2.950 4.303 1.00 0.00 H new ATOM 1520 N ILE A 100 -10.332 0.341 1.204 1.00 0.00 N ATOM 1521 CA ILE A 100 -10.344 1.468 0.223 1.00 0.00 C ATOM 1522 C ILE A 100 -9.513 1.041 -1.032 1.00 0.00 C ATOM 1523 O ILE A 100 -10.016 0.222 -1.775 1.00 0.00 O ATOM 1524 CB ILE A 100 -9.860 2.730 0.992 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -9.678 2.439 2.489 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -10.912 3.824 0.855 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -8.492 1.497 2.694 1.00 0.00 C ATOM 0 H ILE A 100 -9.447 -0.161 1.276 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.326 1.717 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.903 3.037 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.513 3.370 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.585 1.990 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.583 4.714 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.051 4.065 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.856 3.476 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.368 1.294 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.675 0.562 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.586 1.962 2.305 1.00 0.00 H new ATOM 1539 N PRO A 101 -8.292 1.517 -1.280 1.00 0.00 N ATOM 1540 CA PRO A 101 -7.577 1.015 -2.486 1.00 0.00 C ATOM 1541 C PRO A 101 -7.103 -0.411 -2.222 1.00 0.00 C ATOM 1542 O PRO A 101 -5.990 -0.626 -1.785 1.00 0.00 O ATOM 1543 CB PRO A 101 -6.376 1.938 -2.622 1.00 0.00 C ATOM 1544 CG PRO A 101 -6.130 2.440 -1.240 1.00 0.00 C ATOM 1545 CD PRO A 101 -7.469 2.500 -0.554 1.00 0.00 C ATOM 0 HA PRO A 101 -8.199 1.006 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.508 1.405 -3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.582 2.757 -3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.450 1.778 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.663 3.425 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.387 2.247 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.901 3.499 -0.610 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.931 -1.389 -2.450 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.492 -2.781 -2.161 1.00 0.00 C ATOM 1555 C LEU A 102 -7.619 -3.687 -3.386 1.00 0.00 C ATOM 1556 O LEU A 102 -7.736 -3.233 -4.505 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.439 -3.260 -1.057 1.00 0.00 C ATOM 1558 CG LEU A 102 -7.757 -3.152 0.309 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -7.012 -1.825 0.414 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.816 -3.224 1.411 1.00 0.00 C ATOM 0 H LEU A 102 -8.877 -1.289 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.442 -2.813 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.350 -2.662 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.734 -4.293 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.049 -3.973 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.529 -1.755 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.257 -1.769 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.717 -1.002 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.333 -3.147 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.523 -2.403 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.348 -4.173 1.343 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.602 -4.975 -3.156 1.00 0.00 N ATOM 1573 CA LEU A 103 -7.730 -5.979 -4.265 1.00 0.00 C ATOM 1574 C LEU A 103 -6.931 -5.566 -5.507 1.00 0.00 C ATOM 1575 O LEU A 103 -5.984 -4.821 -5.422 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.239 -6.116 -4.571 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.909 -4.768 -4.879 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.497 -4.277 -6.267 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -11.426 -4.959 -4.857 1.00 0.00 C ATOM 0 H LEU A 103 -7.503 -5.385 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.312 -6.939 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.373 -6.786 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.737 -6.578 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.601 -4.035 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.979 -3.321 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.415 -4.153 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.803 -5.006 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.915 -4.010 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.711 -5.695 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.734 -5.309 -3.872 1.00 0.00 H new ATOM 1591 N THR A 104 -7.280 -6.079 -6.658 1.00 0.00 N ATOM 1592 CA THR A 104 -6.512 -5.740 -7.892 1.00 0.00 C ATOM 1593 C THR A 104 -6.929 -4.377 -8.457 1.00 0.00 C ATOM 1594 O THR A 104 -8.059 -3.957 -8.332 1.00 0.00 O ATOM 1595 CB THR A 104 -6.838 -6.858 -8.885 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.072 -6.673 -10.066 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.328 -6.831 -9.235 1.00 0.00 C ATOM 0 H THR A 104 -8.063 -6.718 -6.796 1.00 0.00 H new ATOM 0 HA THR A 104 -5.444 -5.667 -7.688 1.00 0.00 H new ATOM 0 HB THR A 104 -6.596 -7.820 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.277 -7.388 -10.704 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.550 -7.630 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.917 -6.974 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.579 -5.870 -9.683 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.017 -3.686 -9.088 1.00 0.00 N ATOM 1606 CA LYS A 105 -6.352 -2.353 -9.668 1.00 0.00 C ATOM 1607 C LYS A 105 -5.601 -2.149 -10.988 1.00 0.00 C ATOM 1608 O LYS A 105 -4.424 -2.434 -11.082 1.00 0.00 O ATOM 1609 CB LYS A 105 -5.890 -1.341 -8.619 1.00 0.00 C ATOM 1610 CG LYS A 105 -7.093 -0.541 -8.115 1.00 0.00 C ATOM 1611 CD LYS A 105 -7.573 -1.119 -6.782 1.00 0.00 C ATOM 1612 CE LYS A 105 -9.039 -0.739 -6.561 1.00 0.00 C ATOM 1613 NZ LYS A 105 -9.276 -0.900 -5.097 1.00 0.00 N ATOM 0 H LYS A 105 -5.053 -3.988 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.414 -2.250 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.409 -1.857 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.148 -0.669 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.819 0.507 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.898 -0.575 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.463 -2.203 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.960 -0.737 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.231 0.286 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.703 -1.382 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.223 -0.544 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.210 -1.906 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.560 -0.362 -4.568 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.316 -1.669 -11.970 1.00 0.00 N ATOM 1628 CA PRO A 106 -5.719 -1.431 -13.308 1.00 0.00 C ATOM 1629 C PRO A 106 -4.867 -0.155 -13.318 1.00 0.00 C ATOM 1630 O PRO A 106 -5.102 0.748 -14.096 1.00 0.00 O ATOM 1631 CB PRO A 106 -6.934 -1.271 -14.216 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.043 -0.814 -13.318 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.737 -1.309 -11.925 1.00 0.00 C ATOM 0 HA PRO A 106 -5.052 -2.235 -13.618 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.742 -0.544 -15.005 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.186 -2.212 -14.705 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.121 0.273 -13.329 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.000 -1.206 -13.662 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.928 -0.538 -11.178 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.356 -2.167 -11.663 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.875 -0.077 -12.470 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.004 1.137 -12.440 1.00 0.00 C ATOM 1643 C PHE A 107 -3.829 2.390 -12.117 1.00 0.00 C ATOM 1644 O PHE A 107 -3.756 2.926 -11.032 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.405 1.234 -13.845 1.00 0.00 C ATOM 1646 CG PHE A 107 -0.934 1.567 -13.745 1.00 0.00 C ATOM 1647 CD1 PHE A 107 0.005 0.542 -13.583 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -0.509 2.900 -13.815 1.00 0.00 C ATOM 1649 CE1 PHE A 107 1.369 0.848 -13.492 1.00 0.00 C ATOM 1650 CE2 PHE A 107 0.855 3.207 -13.724 1.00 0.00 C ATOM 1651 CZ PHE A 107 1.793 2.181 -13.562 1.00 0.00 C ATOM 0 H PHE A 107 -3.630 -0.802 -11.796 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.234 1.066 -11.672 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.540 0.291 -14.375 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.924 2.000 -14.421 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.322 -0.486 -13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.233 3.692 -13.939 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.093 0.056 -13.368 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.182 4.235 -13.779 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.844 2.417 -13.491 1.00 0.00 H new ATOM 1661 N LEU A 108 -4.605 2.865 -13.052 1.00 0.00 N ATOM 1662 CA LEU A 108 -5.425 4.086 -12.797 1.00 0.00 C ATOM 1663 C LEU A 108 -6.233 3.934 -11.503 1.00 0.00 C ATOM 1664 O LEU A 108 -5.916 4.529 -10.491 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.358 4.183 -14.004 1.00 0.00 C ATOM 1666 CG LEU A 108 -6.308 5.596 -14.587 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -6.965 6.575 -13.613 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -4.851 6.004 -14.814 1.00 0.00 C ATOM 0 H LEU A 108 -4.708 2.461 -13.983 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.811 4.978 -12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.064 3.457 -14.762 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.378 3.938 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.843 5.615 -15.537 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.929 7.582 -14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.004 6.286 -13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.431 6.556 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.816 7.011 -15.230 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.315 5.984 -13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.382 5.308 -15.510 1.00 0.00 H new ATOM 1680 N ASP A 109 -7.276 3.143 -11.531 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.115 2.948 -10.309 1.00 0.00 C ATOM 1682 C ASP A 109 -7.239 2.900 -9.056 1.00 0.00 C ATOM 1683 O ASP A 109 -7.669 3.241 -7.972 1.00 0.00 O ATOM 1684 CB ASP A 109 -8.814 1.605 -10.524 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.309 1.750 -10.230 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -10.926 2.627 -10.814 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -10.812 0.984 -9.426 1.00 0.00 O ATOM 0 H ASP A 109 -7.584 2.621 -12.352 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.823 3.764 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.666 1.267 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.377 0.848 -9.873 1.00 0.00 H new ATOM 1692 N SER A 110 -6.015 2.476 -9.194 1.00 0.00 N ATOM 1693 CA SER A 110 -5.114 2.403 -8.013 1.00 0.00 C ATOM 1694 C SER A 110 -5.137 3.722 -7.236 1.00 0.00 C ATOM 1695 O SER A 110 -5.331 3.738 -6.040 1.00 0.00 O ATOM 1696 CB SER A 110 -3.725 2.160 -8.596 1.00 0.00 C ATOM 1697 OG SER A 110 -2.899 1.557 -7.611 1.00 0.00 O ATOM 0 H SER A 110 -5.599 2.176 -10.076 1.00 0.00 H new ATOM 0 HA SER A 110 -5.415 1.621 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.794 1.516 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.287 3.102 -8.926 1.00 0.00 H new ATOM 0 HG SER A 110 -2.007 1.399 -7.984 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.929 4.826 -7.901 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.927 6.138 -7.186 1.00 0.00 C ATOM 1705 C GLU A 111 -6.351 6.673 -7.030 1.00 0.00 C ATOM 1706 O GLU A 111 -6.615 7.547 -6.230 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.108 7.074 -8.075 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.966 8.428 -7.381 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.909 9.442 -8.031 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -5.831 9.016 -8.706 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -4.693 10.628 -7.841 1.00 0.00 O ATOM 0 H GLU A 111 -4.761 4.878 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.511 6.050 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.124 6.645 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.596 7.197 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.197 8.330 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.936 8.777 -7.452 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.270 6.156 -7.787 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.679 6.641 -7.678 1.00 0.00 C ATOM 1720 C LEU A 112 -9.339 6.032 -6.446 1.00 0.00 C ATOM 1721 O LEU A 112 -9.878 6.726 -5.607 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.386 6.160 -8.947 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.462 6.319 -10.155 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -9.226 5.957 -11.430 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.979 7.769 -10.247 1.00 0.00 C ATOM 0 H LEU A 112 -7.114 5.421 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.729 7.725 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.677 5.115 -8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.301 6.731 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.603 5.658 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.569 6.070 -12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.569 4.924 -11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.085 6.619 -11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.321 7.879 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.837 8.432 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.435 8.030 -9.339 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.300 4.735 -6.333 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.922 4.072 -5.158 1.00 0.00 C ATOM 1739 C GLU A 113 -9.122 4.385 -3.898 1.00 0.00 C ATOM 1740 O GLU A 113 -9.623 4.299 -2.794 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.848 2.574 -5.468 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.363 2.337 -6.887 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.457 1.267 -6.869 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.369 0.371 -6.046 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.364 1.362 -7.679 1.00 0.00 O ATOM 0 H GLU A 113 -8.863 4.105 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.944 4.409 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -8.821 2.220 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.445 2.011 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.756 3.266 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.544 2.022 -7.533 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.873 4.722 -4.055 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.029 5.001 -2.857 1.00 0.00 C ATOM 1754 C ALA A 114 -7.265 6.400 -2.292 1.00 0.00 C ATOM 1755 O ALA A 114 -7.051 6.639 -1.120 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.585 4.864 -3.338 1.00 0.00 C ATOM 0 H ALA A 114 -7.401 4.816 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.272 4.310 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.905 5.056 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.421 3.854 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.397 5.584 -4.135 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.678 7.333 -3.093 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.883 8.704 -2.543 1.00 0.00 C ATOM 1764 C VAL A 115 -9.363 9.091 -2.575 1.00 0.00 C ATOM 1765 O VAL A 115 -9.794 9.984 -1.872 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.053 9.630 -3.437 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.727 10.915 -2.676 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.742 8.937 -3.827 1.00 0.00 C ATOM 0 H VAL A 115 -7.881 7.216 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.574 8.770 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.624 9.864 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.136 11.574 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.653 11.416 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.159 10.672 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.155 9.600 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.174 8.700 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.964 8.017 -4.368 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.148 8.434 -3.379 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.598 8.778 -3.443 1.00 0.00 C ATOM 1780 C LEU A 116 -12.403 7.890 -2.493 1.00 0.00 C ATOM 1781 O LEU A 116 -13.374 8.322 -1.904 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.001 8.519 -4.894 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.251 9.331 -5.232 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -14.327 9.090 -4.171 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.890 10.816 -5.265 1.00 0.00 C ATOM 0 H LEU A 116 -9.852 7.676 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.789 9.808 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.185 8.793 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.193 7.457 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.633 9.023 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -15.216 9.671 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -14.581 8.030 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.951 9.397 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.778 11.401 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.509 11.120 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.126 10.988 -6.023 1.00 0.00 H new