USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 603 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 15 GLN : amide:sc=-0.000153 X(o=-0.00015,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 26:sc= 0.865 USER MOD Single : A 25 HIS :FLIP no HE2:sc= -1.17 F(o=-2.9!,f=-1.2) USER MOD Single : A 28 HIS : no HD1:sc= -5.11 K(o=-5.1,f=-6.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 139:sc= -0.0416 (180deg=-0.909) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.12) USER MOD Single : A 62 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 71 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.1) USER MOD Single : A 78 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.3!) USER MOD Single : A 81 ASN : amide:sc= -0.292 K(o=-0.29,f=-0.98!) USER MOD Single : A 86 TYR OH : rot -102:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.563 -7.494 4.368 1.00 0.00 N ATOM 126 CA GLY A 11 -15.273 -8.859 3.972 1.00 0.00 C ATOM 127 C GLY A 11 -14.678 -9.676 5.102 1.00 0.00 C ATOM 128 O GLY A 11 -14.340 -9.137 6.154 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.190 -9.336 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.581 -8.851 3.130 1.00 0.00 H new ATOM 132 N GLU A 12 -14.551 -10.982 4.883 1.00 0.00 N ATOM 133 CA GLU A 12 -13.995 -11.874 5.893 1.00 0.00 C ATOM 134 C GLU A 12 -12.481 -11.990 5.743 1.00 0.00 C ATOM 135 O GLU A 12 -11.934 -11.763 4.663 1.00 0.00 O ATOM 136 CB GLU A 12 -14.636 -13.260 5.790 1.00 0.00 C ATOM 137 CG GLU A 12 -16.067 -13.308 6.299 1.00 0.00 C ATOM 138 CD GLU A 12 -16.838 -14.497 5.758 1.00 0.00 C ATOM 139 OE1 GLU A 12 -16.434 -15.644 6.041 1.00 0.00 O ATOM 140 OE2 GLU A 12 -17.846 -14.280 5.053 1.00 0.00 O ATOM 0 H GLU A 12 -14.825 -11.444 4.016 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.214 -11.452 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.619 -13.583 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.034 -13.972 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.060 -13.349 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.580 -12.388 6.018 1.00 0.00 H new ATOM 147 N LEU A 13 -11.810 -12.343 6.834 1.00 0.00 N ATOM 148 CA LEU A 13 -10.358 -12.488 6.825 1.00 0.00 C ATOM 149 C LEU A 13 -9.916 -13.475 5.749 1.00 0.00 C ATOM 150 O LEU A 13 -9.126 -13.135 4.870 1.00 0.00 O ATOM 151 CB LEU A 13 -9.865 -12.956 8.196 1.00 0.00 C ATOM 152 CG LEU A 13 -9.532 -11.853 9.201 1.00 0.00 C ATOM 153 CD1 LEU A 13 -10.787 -11.396 9.928 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.484 -12.335 10.194 1.00 0.00 C ATOM 0 H LEU A 13 -12.248 -12.534 7.735 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.921 -11.515 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.627 -13.601 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.975 -13.568 8.050 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.123 -11.003 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.530 -10.611 10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.506 -11.010 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.226 -12.239 10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.259 -11.537 10.902 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.866 -13.202 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.576 -12.612 9.659 1.00 0.00 H new ATOM 166 N GLU A 14 -10.434 -14.697 5.825 1.00 0.00 N ATOM 167 CA GLU A 14 -10.093 -15.732 4.856 1.00 0.00 C ATOM 168 C GLU A 14 -10.326 -15.240 3.430 1.00 0.00 C ATOM 169 O GLU A 14 -9.529 -15.511 2.532 1.00 0.00 O ATOM 170 CB GLU A 14 -10.918 -16.994 5.113 1.00 0.00 C ATOM 171 CG GLU A 14 -10.265 -17.960 6.088 1.00 0.00 C ATOM 172 CD GLU A 14 -9.339 -18.945 5.401 1.00 0.00 C ATOM 173 OE1 GLU A 14 -8.139 -18.628 5.255 1.00 0.00 O ATOM 174 OE2 GLU A 14 -9.812 -20.032 5.009 1.00 0.00 O ATOM 0 H GLU A 14 -11.091 -14.994 6.547 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.035 -15.968 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.896 -16.706 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.088 -17.506 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.702 -17.395 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.040 -18.508 6.624 1.00 0.00 H new ATOM 181 N GLN A 15 -11.424 -14.518 3.232 1.00 0.00 N ATOM 182 CA GLN A 15 -11.762 -13.990 1.916 1.00 0.00 C ATOM 183 C GLN A 15 -10.659 -13.074 1.396 1.00 0.00 C ATOM 184 O GLN A 15 -10.366 -13.056 0.201 1.00 0.00 O ATOM 185 CB GLN A 15 -13.088 -13.228 1.974 1.00 0.00 C ATOM 186 CG GLN A 15 -14.298 -14.128 2.164 1.00 0.00 C ATOM 187 CD GLN A 15 -14.783 -14.736 0.862 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.659 -15.941 0.643 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.339 -13.903 -0.010 1.00 0.00 N ATOM 0 H GLN A 15 -12.094 -14.286 3.965 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.863 -14.831 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.049 -12.508 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.211 -12.658 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.046 -14.926 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.106 -13.553 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.421 -12.911 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.684 -14.255 -0.903 1.00 0.00 H new ATOM 198 N MET A 16 -10.050 -12.316 2.302 1.00 0.00 N ATOM 199 CA MET A 16 -8.978 -11.398 1.934 1.00 0.00 C ATOM 200 C MET A 16 -7.892 -12.120 1.142 1.00 0.00 C ATOM 201 O MET A 16 -7.692 -13.325 1.300 1.00 0.00 O ATOM 202 CB MET A 16 -8.373 -10.759 3.186 1.00 0.00 C ATOM 203 CG MET A 16 -9.375 -9.964 4.007 1.00 0.00 C ATOM 204 SD MET A 16 -8.584 -8.763 5.094 1.00 0.00 S ATOM 205 CE MET A 16 -9.982 -8.220 6.074 1.00 0.00 C ATOM 0 H MET A 16 -10.280 -12.319 3.296 1.00 0.00 H new ATOM 0 HA MET A 16 -9.403 -10.616 1.305 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.942 -11.541 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.556 -10.102 2.890 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.059 -9.445 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.975 -10.650 4.605 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.652 -7.473 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.737 -7.784 5.420 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.408 -9.072 6.603 1.00 0.00 H new ATOM 215 N VAL A 17 -7.194 -11.376 0.290 1.00 0.00 N ATOM 216 CA VAL A 17 -6.128 -11.946 -0.526 1.00 0.00 C ATOM 217 C VAL A 17 -4.856 -11.112 -0.428 1.00 0.00 C ATOM 218 O VAL A 17 -4.909 -9.883 -0.375 1.00 0.00 O ATOM 219 CB VAL A 17 -6.548 -12.050 -2.004 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.722 -13.005 -2.160 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.891 -10.676 -2.558 1.00 0.00 C ATOM 0 H VAL A 17 -7.347 -10.378 0.147 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.934 -12.947 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.709 -12.448 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.005 -13.066 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.436 -13.995 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.568 -12.640 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.186 -10.768 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.714 -10.248 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.020 -10.025 -2.483 1.00 0.00 H new ATOM 231 N SER A 18 -3.712 -11.788 -0.404 1.00 0.00 N ATOM 232 CA SER A 18 -2.424 -11.110 -0.309 1.00 0.00 C ATOM 233 C SER A 18 -1.799 -10.935 -1.690 1.00 0.00 C ATOM 234 O SER A 18 -1.515 -11.912 -2.381 1.00 0.00 O ATOM 235 CB SER A 18 -1.475 -11.896 0.597 1.00 0.00 C ATOM 236 OG SER A 18 -1.055 -13.098 -0.025 1.00 0.00 O ATOM 0 H SER A 18 -3.650 -12.805 -0.449 1.00 0.00 H new ATOM 0 HA SER A 18 -2.592 -10.123 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.606 -11.284 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.973 -12.125 1.539 1.00 0.00 H new ATOM 0 HG SER A 18 -1.107 -12.998 -0.998 1.00 0.00 H new ATOM 242 N GLU A 19 -1.589 -9.683 -2.083 1.00 0.00 N ATOM 243 CA GLU A 19 -0.998 -9.379 -3.381 1.00 0.00 C ATOM 244 C GLU A 19 0.359 -8.701 -3.217 1.00 0.00 C ATOM 245 O GLU A 19 0.549 -7.880 -2.319 1.00 0.00 O ATOM 246 CB GLU A 19 -1.934 -8.483 -4.195 1.00 0.00 C ATOM 247 CG GLU A 19 -2.964 -9.253 -5.004 1.00 0.00 C ATOM 248 CD GLU A 19 -4.102 -8.375 -5.487 1.00 0.00 C ATOM 249 OE1 GLU A 19 -3.877 -7.567 -6.412 1.00 0.00 O ATOM 250 OE2 GLU A 19 -5.218 -8.497 -4.940 1.00 0.00 O ATOM 0 H GLU A 19 -1.819 -8.863 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.852 -10.319 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.451 -7.802 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.339 -7.869 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.476 -9.713 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.368 -10.062 -4.395 1.00 0.00 H new ATOM 257 N ASP A 20 1.298 -9.050 -4.089 1.00 0.00 N ATOM 258 CA ASP A 20 2.637 -8.475 -4.041 1.00 0.00 C ATOM 259 C ASP A 20 2.754 -7.289 -4.994 1.00 0.00 C ATOM 260 O ASP A 20 2.735 -7.455 -6.214 1.00 0.00 O ATOM 261 CB ASP A 20 3.683 -9.534 -4.395 1.00 0.00 C ATOM 262 CG ASP A 20 3.167 -10.543 -5.403 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.536 -11.534 -4.979 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.395 -10.342 -6.614 1.00 0.00 O ATOM 0 H ASP A 20 1.157 -9.728 -4.838 1.00 0.00 H new ATOM 0 HA ASP A 20 2.818 -8.122 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.570 -9.044 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.990 -10.055 -3.488 1.00 0.00 H new ATOM 269 N VAL A 21 2.872 -6.092 -4.428 1.00 0.00 N ATOM 270 CA VAL A 21 2.992 -4.878 -5.227 1.00 0.00 C ATOM 271 C VAL A 21 4.441 -4.411 -5.304 1.00 0.00 C ATOM 272 O VAL A 21 5.076 -4.110 -4.293 1.00 0.00 O ATOM 273 CB VAL A 21 2.127 -3.741 -4.652 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.892 -2.665 -5.701 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.806 -4.287 -4.132 1.00 0.00 C ATOM 0 H VAL A 21 2.887 -5.937 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 21 2.639 -5.122 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 21 2.662 -3.289 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.279 -1.870 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.849 -2.253 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.379 -3.099 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.208 -3.470 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.264 -4.766 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.998 -5.017 -3.346 1.00 0.00 H new ATOM 285 N PRO A 22 4.978 -4.348 -6.531 1.00 0.00 N ATOM 286 CA PRO A 22 6.359 -3.917 -6.770 1.00 0.00 C ATOM 287 C PRO A 22 6.556 -2.429 -6.501 1.00 0.00 C ATOM 288 O PRO A 22 6.241 -1.588 -7.344 1.00 0.00 O ATOM 289 CB PRO A 22 6.575 -4.226 -8.253 1.00 0.00 C ATOM 290 CG PRO A 22 5.210 -4.193 -8.850 1.00 0.00 C ATOM 291 CD PRO A 22 4.279 -4.693 -7.780 1.00 0.00 C ATOM 0 HA PRO A 22 7.064 -4.421 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.229 -3.489 -8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.044 -5.201 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.943 -3.182 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.157 -4.822 -9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.303 -4.212 -7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.111 -5.767 -7.863 1.00 0.00 H new ATOM 299 N LEU A 23 7.080 -2.111 -5.322 1.00 0.00 N ATOM 300 CA LEU A 23 7.320 -0.723 -4.942 1.00 0.00 C ATOM 301 C LEU A 23 8.796 -0.491 -4.634 1.00 0.00 C ATOM 302 O LEU A 23 9.379 -1.171 -3.789 1.00 0.00 O ATOM 303 CB LEU A 23 6.469 -0.352 -3.726 1.00 0.00 C ATOM 304 CG LEU A 23 6.356 1.141 -3.417 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.625 1.864 -4.537 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.647 1.358 -2.088 1.00 0.00 C ATOM 0 H LEU A 23 7.347 -2.795 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 23 7.038 -0.088 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.465 -0.749 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.883 -0.853 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 23 7.362 1.554 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.554 2.925 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.173 1.737 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.623 1.449 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.575 2.426 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.646 0.930 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.211 0.874 -1.291 1.00 0.00 H new ATOM 318 N ASP A 24 9.394 0.475 -5.322 1.00 0.00 N ATOM 319 CA ASP A 24 10.801 0.800 -5.120 1.00 0.00 C ATOM 320 C ASP A 24 11.048 1.280 -3.693 1.00 0.00 C ATOM 321 O ASP A 24 10.212 1.965 -3.104 1.00 0.00 O ATOM 322 CB ASP A 24 11.248 1.871 -6.116 1.00 0.00 C ATOM 323 CG ASP A 24 12.755 2.029 -6.160 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.406 1.802 -5.118 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.283 2.379 -7.236 1.00 0.00 O ATOM 0 H ASP A 24 8.926 1.047 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 24 11.385 -0.105 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.884 1.613 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.793 2.825 -5.848 1.00 0.00 H new ATOM 330 N HIS A 25 12.202 0.915 -3.143 1.00 0.00 N ATOM 331 CA HIS A 25 12.559 1.309 -1.785 1.00 0.00 C ATOM 332 C HIS A 25 12.919 2.790 -1.725 1.00 0.00 C ATOM 333 O HIS A 25 13.056 3.362 -0.643 1.00 0.00 O ATOM 334 CB HIS A 25 13.731 0.466 -1.279 1.00 0.00 C ATOM 335 CG HIS A 25 14.140 0.791 0.125 1.00 0.00 C ATOM 336 ND1 HIS A 25 14.746 1.887 0.640 1.00 0.00 N flip ATOM 337 CD2 HIS A 25 13.936 -0.066 1.186 1.00 0.00 C flip ATOM 338 CE1 HIS A 25 14.894 1.674 1.988 1.00 0.00 C flip ATOM 339 NE2 HIS A 25 14.398 0.488 2.292 1.00 0.00 N flip ATOM 0 H HIS A 25 12.905 0.348 -3.616 1.00 0.00 H new ATOM 0 HA HIS A 25 11.694 1.138 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.460 -0.588 -1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.585 0.612 -1.941 1.00 0.00 H new ATOM 0 HD1 HIS A 25 15.038 2.716 0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.471 -1.039 1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.343 2.364 2.687 1.00 0.00 H new ATOM 347 N ARG A 26 13.073 3.404 -2.893 1.00 0.00 N ATOM 348 CA ARG A 26 13.419 4.818 -2.973 1.00 0.00 C ATOM 349 C ARG A 26 12.200 5.693 -2.694 1.00 0.00 C ATOM 350 O ARG A 26 12.325 6.898 -2.473 1.00 0.00 O ATOM 351 CB ARG A 26 13.991 5.148 -4.353 1.00 0.00 C ATOM 352 CG ARG A 26 15.501 4.990 -4.440 1.00 0.00 C ATOM 353 CD ARG A 26 15.951 4.716 -5.866 1.00 0.00 C ATOM 354 NE ARG A 26 16.029 5.939 -6.660 1.00 0.00 N ATOM 355 CZ ARG A 26 15.945 5.961 -7.986 1.00 0.00 C ATOM 356 NH1 ARG A 26 15.779 4.833 -8.662 1.00 0.00 N ATOM 357 NH2 ARG A 26 16.025 7.114 -8.637 1.00 0.00 N ATOM 0 H ARG A 26 12.964 2.945 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 26 14.175 5.024 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.523 4.501 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.726 6.173 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.984 5.895 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.820 4.173 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.927 4.231 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.256 4.021 -6.338 1.00 0.00 H new ATOM 0 HE ARG A 26 16.155 6.825 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.715 3.945 -8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.715 4.853 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.151 7.984 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.961 7.131 -9.655 1.00 0.00 H new ATOM 371 N VAL A 27 11.021 5.079 -2.708 1.00 0.00 N ATOM 372 CA VAL A 27 9.780 5.801 -2.456 1.00 0.00 C ATOM 373 C VAL A 27 9.058 5.243 -1.234 1.00 0.00 C ATOM 374 O VAL A 27 8.083 5.824 -0.757 1.00 0.00 O ATOM 375 CB VAL A 27 8.836 5.734 -3.671 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.511 6.315 -4.904 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.391 4.302 -3.922 1.00 0.00 C ATOM 0 H VAL A 27 10.900 4.083 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 27 10.050 6.841 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 27 7.951 6.332 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.829 6.259 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.774 7.356 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.414 5.747 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.725 4.274 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.264 3.679 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.865 3.925 -3.045 1.00 0.00 H new ATOM 387 N HIS A 28 9.544 4.113 -0.732 1.00 0.00 N ATOM 388 CA HIS A 28 8.946 3.476 0.436 1.00 0.00 C ATOM 389 C HIS A 28 8.777 4.478 1.575 1.00 0.00 C ATOM 390 O HIS A 28 7.660 4.879 1.902 1.00 0.00 O ATOM 391 CB HIS A 28 9.806 2.300 0.900 1.00 0.00 C ATOM 392 CG HIS A 28 9.564 1.040 0.128 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.049 -0.189 0.522 1.00 0.00 N ATOM 394 CD2 HIS A 28 8.881 0.822 -1.021 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.677 -1.108 -0.352 1.00 0.00 C ATOM 396 NE2 HIS A 28 8.967 -0.520 -1.297 1.00 0.00 N ATOM 0 H HIS A 28 10.350 3.619 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 28 7.961 3.106 0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.858 2.573 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.611 2.112 1.956 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.365 1.565 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.914 -2.161 -0.302 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.550 -0.987 -2.102 1.00 0.00 H new ATOM 404 N ALA A 29 9.894 4.878 2.175 1.00 0.00 N ATOM 405 CA ALA A 29 9.869 5.833 3.275 1.00 0.00 C ATOM 406 C ALA A 29 9.063 7.074 2.907 1.00 0.00 C ATOM 407 O ALA A 29 8.312 7.603 3.726 1.00 0.00 O ATOM 408 CB ALA A 29 11.287 6.220 3.669 1.00 0.00 C ATOM 0 H ALA A 29 10.827 4.555 1.917 1.00 0.00 H new ATOM 0 HA ALA A 29 9.384 5.356 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.254 6.934 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.833 5.330 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.791 6.673 2.815 1.00 0.00 H new ATOM 414 N ARG A 30 9.224 7.533 1.670 1.00 0.00 N ATOM 415 CA ARG A 30 8.512 8.714 1.195 1.00 0.00 C ATOM 416 C ARG A 30 7.008 8.560 1.399 1.00 0.00 C ATOM 417 O ARG A 30 6.335 9.487 1.851 1.00 0.00 O ATOM 418 CB ARG A 30 8.815 8.956 -0.285 1.00 0.00 C ATOM 419 CG ARG A 30 10.021 9.850 -0.521 1.00 0.00 C ATOM 420 CD ARG A 30 11.311 9.172 -0.085 1.00 0.00 C ATOM 421 NE ARG A 30 12.477 10.025 -0.298 1.00 0.00 N ATOM 422 CZ ARG A 30 13.645 9.837 0.305 1.00 0.00 C ATOM 423 NH1 ARG A 30 13.802 8.831 1.155 1.00 0.00 N ATOM 424 NH2 ARG A 30 14.660 10.656 0.059 1.00 0.00 N ATOM 0 H ARG A 30 9.841 7.106 0.979 1.00 0.00 H new ATOM 0 HA ARG A 30 8.854 9.572 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.983 7.997 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.942 9.406 -0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.083 10.107 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.896 10.784 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.243 8.908 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.437 8.242 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 30 12.389 10.808 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.024 8.199 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.700 8.689 1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.543 11.431 -0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.557 10.511 0.523 1.00 0.00 H new ATOM 438 N ILE A 31 6.487 7.385 1.062 1.00 0.00 N ATOM 439 CA ILE A 31 5.063 7.110 1.208 1.00 0.00 C ATOM 440 C ILE A 31 4.699 6.862 2.668 1.00 0.00 C ATOM 441 O ILE A 31 3.635 7.275 3.131 1.00 0.00 O ATOM 442 CB ILE A 31 4.636 5.891 0.370 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.946 6.128 -1.109 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.154 5.606 0.568 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.140 4.851 -1.898 1.00 0.00 C ATOM 0 H ILE A 31 7.030 6.608 0.686 1.00 0.00 H new ATOM 0 HA ILE A 31 4.532 7.991 0.848 1.00 0.00 H new ATOM 0 HB ILE A 31 5.201 5.021 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.133 6.701 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.847 6.736 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.867 4.742 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.961 5.399 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.572 6.473 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.356 5.095 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.972 4.286 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.232 4.251 -1.848 1.00 0.00 H new ATOM 457 N ILE A 32 5.589 6.188 3.388 1.00 0.00 N ATOM 458 CA ILE A 32 5.362 5.889 4.797 1.00 0.00 C ATOM 459 C ILE A 32 5.418 7.155 5.644 1.00 0.00 C ATOM 460 O ILE A 32 4.782 7.241 6.694 1.00 0.00 O ATOM 461 CB ILE A 32 6.397 4.881 5.331 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.289 3.556 4.574 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.200 4.661 6.824 1.00 0.00 C ATOM 464 CD1 ILE A 32 7.465 2.632 4.802 1.00 0.00 C ATOM 0 H ILE A 32 6.474 5.839 3.020 1.00 0.00 H new ATOM 0 HA ILE A 32 4.367 5.450 4.871 1.00 0.00 H new ATOM 0 HB ILE A 32 7.395 5.289 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.374 3.047 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.201 3.762 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.939 3.946 7.187 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.322 5.608 7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.198 4.271 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.321 1.713 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.382 3.121 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.541 2.395 5.863 1.00 0.00 H new ATOM 476 N GLY A 33 6.183 8.139 5.180 1.00 0.00 N ATOM 477 CA GLY A 33 6.306 9.389 5.907 1.00 0.00 C ATOM 478 C GLY A 33 6.611 9.177 7.376 1.00 0.00 C ATOM 479 O GLY A 33 7.672 8.664 7.729 1.00 0.00 O ATOM 0 H GLY A 33 6.720 8.093 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.096 9.991 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.380 9.955 5.809 1.00 0.00 H new ATOM 483 N ALA A 34 5.679 9.576 8.236 1.00 0.00 N ATOM 484 CA ALA A 34 5.853 9.427 9.675 1.00 0.00 C ATOM 485 C ALA A 34 6.238 7.996 10.036 1.00 0.00 C ATOM 486 O ALA A 34 6.464 7.164 9.158 1.00 0.00 O ATOM 487 CB ALA A 34 4.582 9.834 10.406 1.00 0.00 C ATOM 0 H ALA A 34 4.796 10.005 7.960 1.00 0.00 H new ATOM 0 HA ALA A 34 6.665 10.084 9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.727 9.717 11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.351 10.875 10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.756 9.201 10.080 1.00 0.00 H new ATOM 493 N ARG A 35 6.312 7.718 11.334 1.00 0.00 N ATOM 494 CA ARG A 35 6.671 6.388 11.811 1.00 0.00 C ATOM 495 C ARG A 35 5.798 5.321 11.157 1.00 0.00 C ATOM 496 O ARG A 35 6.123 4.135 11.185 1.00 0.00 O ATOM 497 CB ARG A 35 6.532 6.314 13.332 1.00 0.00 C ATOM 498 CG ARG A 35 7.780 6.755 14.080 1.00 0.00 C ATOM 499 CD ARG A 35 8.787 5.622 14.200 1.00 0.00 C ATOM 500 NE ARG A 35 9.690 5.809 15.333 1.00 0.00 N ATOM 501 CZ ARG A 35 10.683 6.691 15.343 1.00 0.00 C ATOM 502 NH1 ARG A 35 10.900 7.463 14.287 1.00 0.00 N ATOM 503 NH2 ARG A 35 11.462 6.803 16.411 1.00 0.00 N ATOM 0 H ARG A 35 6.128 8.396 12.074 1.00 0.00 H new ATOM 0 HA ARG A 35 7.709 6.200 11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.693 6.937 13.642 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.291 5.290 13.617 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.238 7.597 13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.505 7.105 15.075 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.257 4.676 14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.368 5.555 13.280 1.00 0.00 H new ATOM 0 HE ARG A 35 9.550 5.231 16.162 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.303 7.381 13.464 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.663 8.139 14.298 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.299 6.211 17.226 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.224 7.481 16.417 1.00 0.00 H new ATOM 517 N GLY A 36 4.686 5.753 10.569 1.00 0.00 N ATOM 518 CA GLY A 36 3.783 4.823 9.917 1.00 0.00 C ATOM 519 C GLY A 36 2.379 5.377 9.781 1.00 0.00 C ATOM 520 O GLY A 36 1.400 4.632 9.840 1.00 0.00 O ATOM 0 H GLY A 36 4.395 6.730 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.171 4.578 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.750 3.894 10.486 1.00 0.00 H new ATOM 524 N LYS A 37 2.277 6.689 9.600 1.00 0.00 N ATOM 525 CA LYS A 37 0.983 7.345 9.455 1.00 0.00 C ATOM 526 C LYS A 37 0.616 7.507 7.984 1.00 0.00 C ATOM 527 O LYS A 37 -0.416 7.010 7.533 1.00 0.00 O ATOM 528 CB LYS A 37 1.002 8.713 10.140 1.00 0.00 C ATOM 529 CG LYS A 37 -0.300 9.483 9.997 1.00 0.00 C ATOM 530 CD LYS A 37 -0.267 10.784 10.782 1.00 0.00 C ATOM 531 CE LYS A 37 -0.346 10.533 12.280 1.00 0.00 C ATOM 532 NZ LYS A 37 -0.392 11.805 13.053 1.00 0.00 N ATOM 0 H LYS A 37 3.077 7.320 9.550 1.00 0.00 H new ATOM 0 HA LYS A 37 0.231 6.717 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.219 8.577 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.814 9.308 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.484 9.697 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.129 8.867 10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.650 11.327 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.099 11.417 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.233 9.940 12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.517 9.947 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.445 11.592 14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.466 12.360 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.229 12.353 12.770 1.00 0.00 H new ATOM 546 N ALA A 38 1.469 8.203 7.239 1.00 0.00 N ATOM 547 CA ALA A 38 1.235 8.427 5.818 1.00 0.00 C ATOM 548 C ALA A 38 0.757 7.151 5.132 1.00 0.00 C ATOM 549 O ALA A 38 -0.024 7.201 4.182 1.00 0.00 O ATOM 550 CB ALA A 38 2.501 8.944 5.150 1.00 0.00 C ATOM 0 H ALA A 38 2.328 8.621 7.596 1.00 0.00 H new ATOM 0 HA ALA A 38 0.451 9.178 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.312 9.107 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.799 9.884 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.300 8.212 5.268 1.00 0.00 H new ATOM 556 N ILE A 39 1.232 6.010 5.620 1.00 0.00 N ATOM 557 CA ILE A 39 0.852 4.721 5.054 1.00 0.00 C ATOM 558 C ILE A 39 -0.405 4.176 5.724 1.00 0.00 C ATOM 559 O ILE A 39 -1.152 3.400 5.127 1.00 0.00 O ATOM 560 CB ILE A 39 1.985 3.688 5.196 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.585 2.367 4.535 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.324 3.471 6.663 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.525 2.440 3.025 1.00 0.00 C ATOM 0 H ILE A 39 1.880 5.952 6.405 1.00 0.00 H new ATOM 0 HA ILE A 39 0.654 4.887 3.995 1.00 0.00 H new ATOM 0 HB ILE A 39 2.872 4.072 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.297 1.595 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.610 2.061 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.127 2.738 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.646 4.414 7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.443 3.105 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.235 1.468 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.792 3.189 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.505 2.716 2.635 1.00 0.00 H new ATOM 575 N ARG A 40 -0.633 4.588 6.966 1.00 0.00 N ATOM 576 CA ARG A 40 -1.800 4.141 7.717 1.00 0.00 C ATOM 577 C ARG A 40 -3.089 4.621 7.056 1.00 0.00 C ATOM 578 O ARG A 40 -4.009 3.837 6.822 1.00 0.00 O ATOM 579 CB ARG A 40 -1.733 4.653 9.158 1.00 0.00 C ATOM 580 CG ARG A 40 -2.833 4.103 10.051 1.00 0.00 C ATOM 581 CD ARG A 40 -2.475 2.729 10.593 1.00 0.00 C ATOM 582 NE ARG A 40 -2.926 1.657 9.709 1.00 0.00 N ATOM 583 CZ ARG A 40 -4.185 1.237 9.647 1.00 0.00 C ATOM 584 NH1 ARG A 40 -5.112 1.795 10.412 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.517 0.256 8.817 1.00 0.00 N ATOM 0 H ARG A 40 -0.025 5.231 7.474 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.799 3.051 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.765 4.389 9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.792 5.741 9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.007 4.789 10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.764 4.042 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.395 2.661 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.924 2.600 11.578 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.237 1.207 9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.860 2.549 11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.078 1.470 10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.806 -0.175 8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.483 -0.067 8.769 1.00 0.00 H new ATOM 599 N LYS A 41 -3.148 5.914 6.756 1.00 0.00 N ATOM 600 CA LYS A 41 -4.322 6.500 6.121 1.00 0.00 C ATOM 601 C LYS A 41 -4.696 5.734 4.856 1.00 0.00 C ATOM 602 O LYS A 41 -5.876 5.523 4.573 1.00 0.00 O ATOM 603 CB LYS A 41 -4.064 7.970 5.782 1.00 0.00 C ATOM 604 CG LYS A 41 -3.059 8.168 4.660 1.00 0.00 C ATOM 605 CD LYS A 41 -3.001 9.619 4.213 1.00 0.00 C ATOM 606 CE LYS A 41 -1.810 9.875 3.302 1.00 0.00 C ATOM 607 NZ LYS A 41 -1.347 11.288 3.378 1.00 0.00 N ATOM 0 H LYS A 41 -2.395 6.577 6.943 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.153 6.436 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.006 8.440 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.705 8.483 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.072 7.850 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.328 7.536 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.922 9.877 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.938 10.268 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.992 9.210 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.082 9.637 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.534 11.422 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.119 11.922 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.064 11.508 4.354 1.00 0.00 H new ATOM 621 N ILE A 42 -3.685 5.319 4.101 1.00 0.00 N ATOM 622 CA ILE A 42 -3.908 4.574 2.868 1.00 0.00 C ATOM 623 C ILE A 42 -4.532 3.212 3.155 1.00 0.00 C ATOM 624 O ILE A 42 -5.422 2.762 2.434 1.00 0.00 O ATOM 625 CB ILE A 42 -2.596 4.371 2.087 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.073 5.712 1.570 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.810 3.399 0.936 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.699 5.623 0.942 1.00 0.00 C ATOM 0 H ILE A 42 -2.703 5.486 4.321 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.594 5.165 2.261 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.851 3.947 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.774 6.108 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.041 6.423 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.874 3.266 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.142 2.438 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.568 3.796 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.392 6.610 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.015 5.257 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.730 4.937 0.095 1.00 0.00 H new ATOM 640 N MET A 43 -4.060 2.561 4.213 1.00 0.00 N ATOM 641 CA MET A 43 -4.574 1.252 4.597 1.00 0.00 C ATOM 642 C MET A 43 -6.062 1.326 4.923 1.00 0.00 C ATOM 643 O MET A 43 -6.876 0.635 4.311 1.00 0.00 O ATOM 644 CB MET A 43 -3.802 0.710 5.801 1.00 0.00 C ATOM 645 CG MET A 43 -2.528 -0.029 5.425 1.00 0.00 C ATOM 646 SD MET A 43 -1.766 -0.861 6.831 1.00 0.00 S ATOM 647 CE MET A 43 -0.458 0.293 7.239 1.00 0.00 C ATOM 0 H MET A 43 -3.322 2.919 4.820 1.00 0.00 H new ATOM 0 HA MET A 43 -4.439 0.575 3.754 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.550 1.538 6.463 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.449 0.038 6.364 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.754 -0.764 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.816 0.677 4.996 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.385 0.392 8.322 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.489 -0.075 6.843 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.681 1.266 6.800 1.00 0.00 H new ATOM 657 N ASP A 44 -6.409 2.168 5.890 1.00 0.00 N ATOM 658 CA ASP A 44 -7.800 2.333 6.297 1.00 0.00 C ATOM 659 C ASP A 44 -8.660 2.786 5.121 1.00 0.00 C ATOM 660 O ASP A 44 -9.820 2.391 5.001 1.00 0.00 O ATOM 661 CB ASP A 44 -7.903 3.345 7.439 1.00 0.00 C ATOM 662 CG ASP A 44 -7.767 2.696 8.802 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.192 1.531 8.949 1.00 0.00 O ATOM 664 OD2 ASP A 44 -7.235 3.352 9.721 1.00 0.00 O ATOM 0 H ASP A 44 -5.747 2.747 6.407 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.168 1.367 6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.127 4.102 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.862 3.860 7.379 1.00 0.00 H new ATOM 669 N GLU A 45 -8.084 3.616 4.257 1.00 0.00 N ATOM 670 CA GLU A 45 -8.800 4.123 3.092 1.00 0.00 C ATOM 671 C GLU A 45 -9.468 2.984 2.326 1.00 0.00 C ATOM 672 O GLU A 45 -10.677 3.002 2.096 1.00 0.00 O ATOM 673 CB GLU A 45 -7.844 4.882 2.169 1.00 0.00 C ATOM 674 CG GLU A 45 -8.531 5.517 0.972 1.00 0.00 C ATOM 675 CD GLU A 45 -9.232 6.815 1.322 1.00 0.00 C ATOM 676 OE1 GLU A 45 -8.883 7.416 2.360 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.129 7.230 0.560 1.00 0.00 O ATOM 0 H GLU A 45 -7.124 3.951 4.342 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.574 4.806 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.339 5.659 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.074 4.197 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.793 5.706 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.257 4.816 0.561 1.00 0.00 H new ATOM 684 N PHE A 46 -8.671 1.996 1.934 1.00 0.00 N ATOM 685 CA PHE A 46 -9.183 0.850 1.192 1.00 0.00 C ATOM 686 C PHE A 46 -9.356 -0.358 2.109 1.00 0.00 C ATOM 687 O PHE A 46 -9.599 -1.473 1.647 1.00 0.00 O ATOM 688 CB PHE A 46 -8.241 0.499 0.039 1.00 0.00 C ATOM 689 CG PHE A 46 -7.989 1.644 -0.899 1.00 0.00 C ATOM 690 CD1 PHE A 46 -7.050 2.615 -0.592 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.691 1.750 -2.089 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.815 3.670 -1.453 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.461 2.802 -2.954 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.523 3.764 -2.636 1.00 0.00 C ATOM 0 H PHE A 46 -7.668 1.966 2.118 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.158 1.118 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.290 0.159 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.662 -0.335 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.495 2.547 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.427 1.001 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.079 4.420 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.015 2.872 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.343 4.588 -3.310 1.00 0.00 H new ATOM 704 N LYS A 47 -9.228 -0.128 3.411 1.00 0.00 N ATOM 705 CA LYS A 47 -9.370 -1.195 4.395 1.00 0.00 C ATOM 706 C LYS A 47 -8.421 -2.348 4.087 1.00 0.00 C ATOM 707 O LYS A 47 -8.771 -3.516 4.257 1.00 0.00 O ATOM 708 CB LYS A 47 -10.814 -1.702 4.422 1.00 0.00 C ATOM 709 CG LYS A 47 -11.846 -0.593 4.532 1.00 0.00 C ATOM 710 CD LYS A 47 -11.775 0.103 5.881 1.00 0.00 C ATOM 711 CE LYS A 47 -12.679 -0.567 6.903 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.088 -0.097 6.790 1.00 0.00 N ATOM 0 H LYS A 47 -9.026 0.789 3.810 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.115 -0.789 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.006 -2.276 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.935 -2.384 5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.685 0.135 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.844 -1.008 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.747 0.094 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.064 1.148 5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.645 -1.648 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.307 -0.362 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.672 -0.577 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.125 0.930 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.452 -0.316 5.841 1.00 0.00 H new ATOM 726 N VAL A 48 -7.216 -2.013 3.635 1.00 0.00 N ATOM 727 CA VAL A 48 -6.215 -3.021 3.307 1.00 0.00 C ATOM 728 C VAL A 48 -5.062 -2.995 4.304 1.00 0.00 C ATOM 729 O VAL A 48 -5.068 -2.215 5.256 1.00 0.00 O ATOM 730 CB VAL A 48 -5.656 -2.815 1.886 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.772 -2.900 0.856 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.930 -1.482 1.788 1.00 0.00 C ATOM 0 H VAL A 48 -6.910 -1.051 3.488 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.712 -3.990 3.357 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.940 -3.610 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.358 -2.752 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.244 -3.881 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.514 -2.128 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.542 -1.353 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.623 -0.672 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.104 -1.464 2.499 1.00 0.00 H new ATOM 742 N ASP A 49 -4.072 -3.852 4.077 1.00 0.00 N ATOM 743 CA ASP A 49 -2.910 -3.927 4.955 1.00 0.00 C ATOM 744 C ASP A 49 -1.617 -3.931 4.145 1.00 0.00 C ATOM 745 O ASP A 49 -1.233 -4.954 3.577 1.00 0.00 O ATOM 746 CB ASP A 49 -2.984 -5.180 5.829 1.00 0.00 C ATOM 747 CG ASP A 49 -2.296 -4.994 7.167 1.00 0.00 C ATOM 748 OD1 ASP A 49 -1.217 -4.366 7.197 1.00 0.00 O ATOM 749 OD2 ASP A 49 -2.837 -5.477 8.184 1.00 0.00 O ATOM 0 H ASP A 49 -4.051 -4.504 3.293 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.913 -3.046 5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.029 -5.443 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.525 -6.016 5.301 1.00 0.00 H new ATOM 754 N ILE A 50 -0.952 -2.782 4.096 1.00 0.00 N ATOM 755 CA ILE A 50 0.297 -2.655 3.356 1.00 0.00 C ATOM 756 C ILE A 50 1.501 -2.887 4.263 1.00 0.00 C ATOM 757 O ILE A 50 1.797 -2.074 5.138 1.00 0.00 O ATOM 758 CB ILE A 50 0.424 -1.267 2.700 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.855 -0.922 1.935 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.629 -1.227 1.772 1.00 0.00 C ATOM 761 CD1 ILE A 50 -1.051 0.563 1.724 1.00 0.00 C ATOM 0 H ILE A 50 -1.257 -1.926 4.560 1.00 0.00 H new ATOM 0 HA ILE A 50 0.280 -3.417 2.577 1.00 0.00 H new ATOM 0 HB ILE A 50 0.569 -0.523 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.834 -1.419 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.712 -1.320 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.705 -0.240 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.535 -1.434 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.512 -1.979 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.977 0.733 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.105 1.064 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.213 0.963 1.154 1.00 0.00 H new ATOM 773 N ARG A 51 2.191 -4.002 4.047 1.00 0.00 N ATOM 774 CA ARG A 51 3.363 -4.342 4.845 1.00 0.00 C ATOM 775 C ARG A 51 4.643 -4.159 4.036 1.00 0.00 C ATOM 776 O ARG A 51 4.913 -4.915 3.102 1.00 0.00 O ATOM 777 CB ARG A 51 3.265 -5.784 5.346 1.00 0.00 C ATOM 778 CG ARG A 51 4.208 -6.095 6.496 1.00 0.00 C ATOM 779 CD ARG A 51 3.688 -5.533 7.810 1.00 0.00 C ATOM 780 NE ARG A 51 4.577 -5.841 8.927 1.00 0.00 N ATOM 781 CZ ARG A 51 4.676 -7.047 9.476 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.946 -8.052 9.013 1.00 0.00 N ATOM 783 NH2 ARG A 51 5.508 -7.249 10.490 1.00 0.00 N ATOM 0 H ARG A 51 1.959 -4.685 3.326 1.00 0.00 H new ATOM 0 HA ARG A 51 3.396 -3.669 5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.241 -5.980 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.478 -6.462 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.332 -7.174 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.192 -5.677 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.576 -4.452 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.697 -5.941 8.012 1.00 0.00 H new ATOM 0 HE ARG A 51 5.153 -5.090 9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.306 -7.901 8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.024 -8.977 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.072 -6.478 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.584 -8.175 10.911 1.00 0.00 H new ATOM 797 N PHE A 52 5.429 -3.151 4.401 1.00 0.00 N ATOM 798 CA PHE A 52 6.680 -2.868 3.708 1.00 0.00 C ATOM 799 C PHE A 52 7.752 -3.886 4.083 1.00 0.00 C ATOM 800 O PHE A 52 7.772 -4.426 5.190 1.00 0.00 O ATOM 801 CB PHE A 52 7.164 -1.455 4.041 1.00 0.00 C ATOM 802 CG PHE A 52 6.408 -0.377 3.319 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.648 -0.124 1.978 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.459 0.385 3.981 1.00 0.00 C ATOM 805 CE1 PHE A 52 5.954 0.867 1.310 1.00 0.00 C ATOM 806 CE2 PHE A 52 4.762 1.377 3.318 1.00 0.00 C ATOM 807 CZ PHE A 52 5.010 1.620 1.981 1.00 0.00 C ATOM 0 H PHE A 52 5.221 -2.517 5.173 1.00 0.00 H new ATOM 0 HA PHE A 52 6.496 -2.939 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.075 -1.293 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.222 -1.374 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.386 -0.708 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.262 0.202 5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.150 1.053 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.023 1.962 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.468 2.396 1.462 1.00 0.00 H new ATOM 817 N PRO A 53 8.667 -4.157 3.140 1.00 0.00 N ATOM 818 CA PRO A 53 9.759 -5.113 3.347 1.00 0.00 C ATOM 819 C PRO A 53 10.795 -4.601 4.343 1.00 0.00 C ATOM 820 O PRO A 53 11.375 -3.533 4.154 1.00 0.00 O ATOM 821 CB PRO A 53 10.379 -5.251 1.955 1.00 0.00 C ATOM 822 CG PRO A 53 10.045 -3.974 1.263 1.00 0.00 C ATOM 823 CD PRO A 53 8.704 -3.552 1.798 1.00 0.00 C ATOM 0 HA PRO A 53 9.403 -6.055 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.457 -5.399 2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.969 -6.109 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.801 -3.214 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.008 -4.114 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.613 -2.467 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.889 -3.914 1.171 1.00 0.00 H new ATOM 831 N GLN A 54 11.022 -5.372 5.402 1.00 0.00 N ATOM 832 CA GLN A 54 11.988 -4.996 6.427 1.00 0.00 C ATOM 833 C GLN A 54 13.403 -5.385 6.011 1.00 0.00 C ATOM 834 O GLN A 54 13.616 -5.911 4.918 1.00 0.00 O ATOM 835 CB GLN A 54 11.635 -5.659 7.759 1.00 0.00 C ATOM 836 CG GLN A 54 10.682 -4.838 8.613 1.00 0.00 C ATOM 837 CD GLN A 54 10.005 -5.663 9.689 1.00 0.00 C ATOM 838 OE1 GLN A 54 8.778 -5.758 9.735 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.802 -6.267 10.563 1.00 0.00 N ATOM 0 H GLN A 54 10.550 -6.260 5.572 1.00 0.00 H new ATOM 0 HA GLN A 54 11.949 -3.913 6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.187 -6.633 7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.552 -5.837 8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.231 -4.020 9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.922 -4.388 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.814 -6.162 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.402 -6.836 11.309 1.00 0.00 H new ATOM 848 N SER A 55 14.366 -5.124 6.888 1.00 0.00 N ATOM 849 CA SER A 55 15.761 -5.444 6.610 1.00 0.00 C ATOM 850 C SER A 55 15.914 -6.909 6.215 1.00 0.00 C ATOM 851 O SER A 55 16.571 -7.231 5.225 1.00 0.00 O ATOM 852 CB SER A 55 16.629 -5.140 7.833 1.00 0.00 C ATOM 853 OG SER A 55 16.131 -5.794 8.987 1.00 0.00 O ATOM 0 H SER A 55 14.206 -4.691 7.798 1.00 0.00 H new ATOM 0 HA SER A 55 16.091 -4.825 5.776 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.654 -5.459 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.657 -4.064 8.005 1.00 0.00 H new ATOM 0 HG SER A 55 16.704 -5.585 9.754 1.00 0.00 H new ATOM 859 N GLY A 56 15.302 -7.794 6.996 1.00 0.00 N ATOM 860 CA GLY A 56 15.382 -9.215 6.712 1.00 0.00 C ATOM 861 C GLY A 56 14.264 -9.688 5.805 1.00 0.00 C ATOM 862 O GLY A 56 13.661 -10.733 6.046 1.00 0.00 O ATOM 0 H GLY A 56 14.752 -7.552 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.342 -9.436 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.347 -9.772 7.648 1.00 0.00 H new ATOM 866 N ALA A 57 13.986 -8.917 4.759 1.00 0.00 N ATOM 867 CA ALA A 57 12.933 -9.263 3.813 1.00 0.00 C ATOM 868 C ALA A 57 13.519 -9.801 2.512 1.00 0.00 C ATOM 869 O ALA A 57 14.589 -9.386 2.067 1.00 0.00 O ATOM 870 CB ALA A 57 12.052 -8.054 3.536 1.00 0.00 C ATOM 0 H ALA A 57 14.476 -8.048 4.545 1.00 0.00 H new ATOM 0 HA ALA A 57 12.323 -10.048 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.270 -8.328 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.596 -7.715 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.658 -7.251 3.115 1.00 0.00 H new ATOM 876 N PRO A 58 12.805 -10.748 1.887 1.00 0.00 N ATOM 877 CA PRO A 58 13.235 -11.364 0.628 1.00 0.00 C ATOM 878 C PRO A 58 13.161 -10.394 -0.547 1.00 0.00 C ATOM 879 O PRO A 58 13.954 -10.478 -1.484 1.00 0.00 O ATOM 880 CB PRO A 58 12.243 -12.513 0.436 1.00 0.00 C ATOM 881 CG PRO A 58 11.026 -12.091 1.187 1.00 0.00 C ATOM 882 CD PRO A 58 11.520 -11.291 2.360 1.00 0.00 C ATOM 0 HA PRO A 58 14.276 -11.685 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.022 -12.673 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.643 -13.450 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.366 -11.494 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.452 -12.957 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.822 -10.497 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.649 -11.914 3.245 1.00 0.00 H new ATOM 890 N ASP A 59 12.204 -9.474 -0.489 1.00 0.00 N ATOM 891 CA ASP A 59 12.027 -8.487 -1.547 1.00 0.00 C ATOM 892 C ASP A 59 11.957 -7.077 -0.969 1.00 0.00 C ATOM 893 O ASP A 59 10.894 -6.589 -0.586 1.00 0.00 O ATOM 894 CB ASP A 59 10.758 -8.787 -2.347 1.00 0.00 C ATOM 895 CG ASP A 59 10.985 -9.830 -3.424 1.00 0.00 C ATOM 896 OD1 ASP A 59 11.005 -11.033 -3.090 1.00 0.00 O ATOM 897 OD2 ASP A 59 11.143 -9.442 -4.600 1.00 0.00 O ATOM 0 H ASP A 59 11.539 -9.392 0.280 1.00 0.00 H new ATOM 0 HA ASP A 59 12.889 -8.545 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.978 -9.133 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.396 -7.867 -2.807 1.00 0.00 H new ATOM 902 N PRO A 60 13.117 -6.406 -0.903 1.00 0.00 N ATOM 903 CA PRO A 60 13.214 -5.043 -0.373 1.00 0.00 C ATOM 904 C PRO A 60 12.559 -4.016 -1.290 1.00 0.00 C ATOM 905 O PRO A 60 12.505 -2.830 -0.970 1.00 0.00 O ATOM 906 CB PRO A 60 14.723 -4.801 -0.290 1.00 0.00 C ATOM 907 CG PRO A 60 15.309 -5.712 -1.313 1.00 0.00 C ATOM 908 CD PRO A 60 14.422 -6.927 -1.342 1.00 0.00 C ATOM 0 HA PRO A 60 12.699 -4.940 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.969 -3.760 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.106 -5.025 0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.344 -5.231 -2.290 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.333 -5.982 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.367 -7.360 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.788 -7.708 -0.675 1.00 0.00 H new ATOM 916 N ASN A 61 12.062 -4.481 -2.432 1.00 0.00 N ATOM 917 CA ASN A 61 11.410 -3.602 -3.396 1.00 0.00 C ATOM 918 C ASN A 61 9.975 -4.049 -3.657 1.00 0.00 C ATOM 919 O ASN A 61 9.332 -3.589 -4.601 1.00 0.00 O ATOM 920 CB ASN A 61 12.196 -3.579 -4.709 1.00 0.00 C ATOM 921 CG ASN A 61 12.792 -4.931 -5.049 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.069 -5.897 -5.292 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.118 -5.005 -5.068 1.00 0.00 N ATOM 0 H ASN A 61 12.098 -5.461 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 61 11.387 -2.597 -2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.538 -3.261 -5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.994 -2.840 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.576 -5.889 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.678 -4.178 -4.860 1.00 0.00 H new ATOM 930 N CYS A 62 9.479 -4.948 -2.814 1.00 0.00 N ATOM 931 CA CYS A 62 8.119 -5.458 -2.953 1.00 0.00 C ATOM 932 C CYS A 62 7.357 -5.339 -1.637 1.00 0.00 C ATOM 933 O CYS A 62 7.907 -5.585 -0.564 1.00 0.00 O ATOM 934 CB CYS A 62 8.144 -6.917 -3.411 1.00 0.00 C ATOM 935 SG CYS A 62 6.558 -7.522 -4.033 1.00 0.00 S ATOM 0 H CYS A 62 9.998 -5.339 -2.027 1.00 0.00 H new ATOM 0 HA CYS A 62 7.607 -4.857 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.895 -7.028 -4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.458 -7.544 -2.576 1.00 0.00 H new ATOM 0 HG CYS A 62 6.680 -8.764 -4.398 1.00 0.00 H new ATOM 941 N VAL A 63 6.087 -4.958 -1.728 1.00 0.00 N ATOM 942 CA VAL A 63 5.248 -4.805 -0.545 1.00 0.00 C ATOM 943 C VAL A 63 4.113 -5.823 -0.541 1.00 0.00 C ATOM 944 O VAL A 63 3.707 -6.322 -1.591 1.00 0.00 O ATOM 945 CB VAL A 63 4.652 -3.387 -0.458 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.758 -2.350 -0.336 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.775 -3.104 -1.669 1.00 0.00 C ATOM 0 H VAL A 63 5.616 -4.750 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 63 5.888 -4.975 0.321 1.00 0.00 H new ATOM 0 HB VAL A 63 4.030 -3.326 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.318 -1.354 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.341 -2.544 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.408 -2.407 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.362 -2.098 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.373 -3.182 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.962 -3.829 -1.706 1.00 0.00 H new ATOM 957 N THR A 64 3.602 -6.127 0.648 1.00 0.00 N ATOM 958 CA THR A 64 2.513 -7.086 0.790 1.00 0.00 C ATOM 959 C THR A 64 1.218 -6.391 1.194 1.00 0.00 C ATOM 960 O THR A 64 1.078 -5.925 2.325 1.00 0.00 O ATOM 961 CB THR A 64 2.850 -8.167 1.834 1.00 0.00 C ATOM 962 OG1 THR A 64 3.917 -8.994 1.357 1.00 0.00 O ATOM 963 CG2 THR A 64 1.631 -9.027 2.134 1.00 0.00 C ATOM 0 H THR A 64 3.925 -5.723 1.527 1.00 0.00 H new ATOM 0 HA THR A 64 2.379 -7.560 -0.183 1.00 0.00 H new ATOM 0 HB THR A 64 3.160 -7.669 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.126 -9.677 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.893 -9.784 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.830 -8.399 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.296 -9.515 1.219 1.00 0.00 H new ATOM 971 N VAL A 65 0.272 -6.325 0.263 1.00 0.00 N ATOM 972 CA VAL A 65 -1.014 -5.689 0.523 1.00 0.00 C ATOM 973 C VAL A 65 -2.101 -6.728 0.772 1.00 0.00 C ATOM 974 O VAL A 65 -2.374 -7.575 -0.080 1.00 0.00 O ATOM 975 CB VAL A 65 -1.441 -4.786 -0.651 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.779 -4.125 -0.356 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.372 -3.742 -0.935 1.00 0.00 C ATOM 0 H VAL A 65 0.372 -6.704 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.890 -5.077 1.416 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.557 -5.405 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.065 -3.491 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.539 -4.892 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.694 -3.517 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.690 -3.113 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.222 -3.124 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.563 -4.239 -1.193 1.00 0.00 H new ATOM 987 N THR A 66 -2.722 -6.658 1.946 1.00 0.00 N ATOM 988 CA THR A 66 -3.779 -7.592 2.308 1.00 0.00 C ATOM 989 C THR A 66 -5.156 -6.974 2.097 1.00 0.00 C ATOM 990 O THR A 66 -5.300 -5.752 2.062 1.00 0.00 O ATOM 991 CB THR A 66 -3.652 -8.043 3.776 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.272 -8.220 4.116 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.407 -9.343 4.010 1.00 0.00 C ATOM 0 H THR A 66 -2.510 -5.963 2.662 1.00 0.00 H new ATOM 0 HA THR A 66 -3.669 -8.460 1.657 1.00 0.00 H new ATOM 0 HB THR A 66 -4.086 -7.270 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.199 -8.505 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.303 -9.642 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.462 -9.198 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.998 -10.122 3.367 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.168 -7.825 1.956 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.521 -7.343 1.750 1.00 0.00 C ATOM 1003 C GLY A 67 -8.178 -7.961 0.532 1.00 0.00 C ATOM 1004 O GLY A 67 -7.523 -8.647 -0.255 1.00 0.00 O ATOM 0 H GLY A 67 -6.074 -8.840 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.120 -7.564 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.504 -6.259 1.639 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.475 -7.721 0.376 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.222 -8.261 -0.755 1.00 0.00 C ATOM 1010 C LEU A 68 -9.571 -7.867 -2.076 1.00 0.00 C ATOM 1011 O LEU A 68 -8.868 -6.861 -2.174 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.669 -7.767 -0.718 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.565 -8.392 0.351 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.683 -9.894 0.137 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.027 -8.091 1.742 1.00 0.00 C ATOM 0 H LEU A 68 -10.031 -7.156 1.018 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.214 -9.348 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.659 -6.687 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.119 -7.950 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.559 -7.954 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.325 -10.322 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.115 -10.089 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.694 -10.349 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.678 -8.544 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.022 -8.501 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.995 -7.012 1.894 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.810 -8.675 -3.119 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.259 -8.429 -4.455 1.00 0.00 C ATOM 1029 C PRO A 69 -9.888 -7.214 -5.127 1.00 0.00 C ATOM 1030 O PRO A 69 -9.346 -6.678 -6.093 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.608 -9.706 -5.224 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.804 -10.254 -4.525 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.639 -9.892 -3.075 1.00 0.00 C ATOM 0 HA PRO A 69 -8.191 -8.214 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.825 -9.491 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.781 -10.416 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.722 -9.829 -4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.869 -11.335 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.600 -9.706 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.152 -10.690 -2.515 1.00 0.00 H new ATOM 1041 N GLU A 70 -11.035 -6.785 -4.610 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.738 -5.632 -5.162 1.00 0.00 C ATOM 1043 C GLU A 70 -11.222 -4.335 -4.546 1.00 0.00 C ATOM 1044 O GLU A 70 -11.282 -3.274 -5.167 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.243 -5.761 -4.921 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.615 -5.892 -3.453 1.00 0.00 C ATOM 1047 CD GLU A 70 -15.055 -5.503 -3.180 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.475 -4.421 -3.641 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.762 -6.280 -2.505 1.00 0.00 O ATOM 0 H GLU A 70 -11.497 -7.218 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.551 -5.604 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.745 -4.888 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.616 -6.632 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.453 -6.921 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.953 -5.264 -2.857 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.715 -4.429 -3.321 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.190 -3.263 -2.620 1.00 0.00 C ATOM 1058 C ASN A 71 -8.690 -3.115 -2.858 1.00 0.00 C ATOM 1059 O ASN A 71 -8.180 -2.004 -3.003 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.472 -3.373 -1.120 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.938 -3.170 -0.791 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.643 -2.429 -1.476 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.404 -3.829 0.263 1.00 0.00 N ATOM 0 H ASN A 71 -10.657 -5.300 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.691 -2.378 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.155 -4.353 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.877 -2.632 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.383 -3.732 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.783 -4.433 0.802 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.989 -4.244 -2.897 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.548 -4.241 -3.119 1.00 0.00 C ATOM 1072 C VAL A 72 -6.201 -3.634 -4.473 1.00 0.00 C ATOM 1073 O VAL A 72 -5.426 -2.682 -4.557 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.966 -5.665 -3.043 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.469 -5.645 -3.312 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -6.264 -6.291 -1.688 1.00 0.00 C ATOM 0 H VAL A 72 -8.396 -5.172 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.108 -3.633 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.441 -6.274 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.075 -6.660 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.283 -5.240 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.974 -5.021 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.846 -7.297 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.818 -5.684 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.343 -6.341 -1.540 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.782 -4.191 -5.531 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.534 -3.704 -6.883 1.00 0.00 C ATOM 1088 C GLU A 73 -6.461 -2.180 -6.907 1.00 0.00 C ATOM 1089 O GLU A 73 -5.561 -1.601 -7.515 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.631 -4.188 -7.833 1.00 0.00 C ATOM 1091 CG GLU A 73 -9.001 -3.605 -7.529 1.00 0.00 C ATOM 1092 CD GLU A 73 -10.089 -4.176 -8.417 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.882 -5.271 -8.980 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.147 -3.526 -8.550 1.00 0.00 O ATOM 0 H GLU A 73 -7.427 -4.979 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.575 -4.102 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.354 -3.930 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.689 -5.275 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.250 -3.798 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.967 -2.523 -7.653 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.416 -1.537 -6.242 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.460 -0.080 -6.189 1.00 0.00 C ATOM 1103 C GLU A 74 -6.272 0.472 -5.407 1.00 0.00 C ATOM 1104 O GLU A 74 -5.609 1.411 -5.847 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.768 0.389 -5.548 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.009 -0.212 -6.187 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.270 0.560 -5.853 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.305 1.781 -6.111 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.223 -0.058 -5.332 1.00 0.00 O ATOM 0 H GLU A 74 -8.168 -2.001 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.408 0.297 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.755 0.134 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.826 1.475 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.879 -0.238 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.121 -1.244 -5.854 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.009 -0.118 -4.246 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.901 0.313 -3.403 1.00 0.00 C ATOM 1118 C ALA A 75 -3.587 0.305 -4.178 1.00 0.00 C ATOM 1119 O ALA A 75 -2.811 1.259 -4.112 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.796 -0.576 -2.173 1.00 0.00 C ATOM 0 H ALA A 75 -6.549 -0.896 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.098 1.336 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.964 -0.242 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.722 -0.516 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.627 -1.607 -2.483 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.344 -0.778 -4.909 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.124 -0.909 -5.695 1.00 0.00 C ATOM 1128 C ILE A 76 -1.907 0.313 -6.582 1.00 0.00 C ATOM 1129 O ILE A 76 -0.824 0.898 -6.596 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.157 -2.170 -6.579 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.327 -3.421 -5.714 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.888 -2.266 -7.413 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.083 -4.712 -6.463 1.00 0.00 C ATOM 0 H ILE A 76 -3.975 -1.576 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.300 -0.992 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.009 -2.099 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.640 -3.365 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.337 -3.434 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.926 -3.162 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.805 -1.387 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.022 -2.318 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.221 -5.556 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.787 -4.791 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.064 -4.721 -6.851 1.00 0.00 H new ATOM 1145 N ASP A 77 -2.944 0.694 -7.318 1.00 0.00 N ATOM 1146 CA ASP A 77 -2.869 1.849 -8.206 1.00 0.00 C ATOM 1147 C ASP A 77 -2.397 3.086 -7.448 1.00 0.00 C ATOM 1148 O ASP A 77 -1.507 3.805 -7.905 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.232 2.116 -8.847 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.188 3.256 -9.846 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.377 3.184 -10.793 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.965 4.219 -9.681 1.00 0.00 O ATOM 0 H ASP A 77 -3.847 0.220 -7.318 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.145 1.628 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.579 1.212 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.958 2.347 -8.068 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.000 3.330 -6.289 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.642 4.481 -5.468 1.00 0.00 C ATOM 1159 C HIS A 78 -1.173 4.424 -5.063 1.00 0.00 C ATOM 1160 O HIS A 78 -0.491 5.448 -5.019 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.525 4.539 -4.221 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.190 5.674 -3.303 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -3.927 6.838 -3.244 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.191 5.817 -2.401 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.395 7.649 -2.348 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.340 7.053 -1.821 1.00 0.00 N ATOM 0 H HIS A 78 -3.739 2.746 -5.897 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.802 5.382 -6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.567 4.626 -4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.430 3.600 -3.675 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -4.754 7.041 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.420 5.094 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.760 8.632 -2.090 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.692 3.221 -4.769 1.00 0.00 N ATOM 1175 CA ILE A 79 0.697 3.031 -4.368 1.00 0.00 C ATOM 1176 C ILE A 79 1.652 3.451 -5.480 1.00 0.00 C ATOM 1177 O ILE A 79 2.496 4.328 -5.289 1.00 0.00 O ATOM 1178 CB ILE A 79 0.978 1.564 -3.992 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.093 1.136 -2.820 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.449 1.378 -3.647 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.042 -0.362 -2.616 1.00 0.00 C ATOM 0 H ILE A 79 -1.243 2.363 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 79 0.862 3.660 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 79 0.743 0.934 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.460 1.606 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.919 1.507 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.632 0.336 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.061 1.648 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.708 2.017 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.604 -0.592 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.353 -0.838 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.046 -0.737 -2.419 1.00 0.00 H new ATOM 1193 N LEU A 80 1.513 2.822 -6.641 1.00 0.00 N ATOM 1194 CA LEU A 80 2.363 3.131 -7.786 1.00 0.00 C ATOM 1195 C LEU A 80 2.238 4.601 -8.175 1.00 0.00 C ATOM 1196 O LEU A 80 3.198 5.213 -8.641 1.00 0.00 O ATOM 1197 CB LEU A 80 1.993 2.244 -8.976 1.00 0.00 C ATOM 1198 CG LEU A 80 2.692 0.886 -9.043 1.00 0.00 C ATOM 1199 CD1 LEU A 80 2.121 0.047 -10.176 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.193 1.067 -9.216 1.00 0.00 C ATOM 0 H LEU A 80 0.820 2.094 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 80 3.397 2.935 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.916 2.076 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.214 2.790 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 80 2.515 0.361 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.631 -0.916 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.055 -0.112 -10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.267 0.567 -11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.674 0.090 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.390 1.612 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.592 1.629 -8.371 1.00 0.00 H new ATOM 1212 N ASN A 81 1.049 5.161 -7.977 1.00 0.00 N ATOM 1213 CA ASN A 81 0.799 6.560 -8.305 1.00 0.00 C ATOM 1214 C ASN A 81 1.771 7.475 -7.565 1.00 0.00 C ATOM 1215 O ASN A 81 2.411 8.337 -8.168 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.641 6.938 -7.955 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.805 8.425 -7.707 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.255 9.252 -8.436 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.563 8.773 -6.674 1.00 0.00 N ATOM 0 H ASN A 81 0.244 4.668 -7.591 1.00 0.00 H new ATOM 0 HA ASN A 81 0.951 6.689 -9.377 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.301 6.633 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.952 6.388 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.709 9.759 -6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.999 8.054 -6.097 1.00 0.00 H new ATOM 1226 N LEU A 82 1.876 7.280 -6.255 1.00 0.00 N ATOM 1227 CA LEU A 82 2.771 8.086 -5.432 1.00 0.00 C ATOM 1228 C LEU A 82 4.229 7.826 -5.795 1.00 0.00 C ATOM 1229 O LEU A 82 5.009 8.760 -5.977 1.00 0.00 O ATOM 1230 CB LEU A 82 2.541 7.786 -3.950 1.00 0.00 C ATOM 1231 CG LEU A 82 1.093 7.864 -3.465 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.951 7.214 -2.098 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.623 9.311 -3.421 1.00 0.00 C ATOM 0 H LEU A 82 1.353 6.571 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 82 2.551 9.136 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.920 6.786 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.138 8.483 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 82 0.465 7.319 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.086 7.280 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.246 6.167 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.591 7.729 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.410 9.348 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.256 9.879 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.686 9.744 -4.419 1.00 0.00 H new ATOM 1245 N GLU A 83 4.588 6.550 -5.901 1.00 0.00 N ATOM 1246 CA GLU A 83 5.953 6.168 -6.244 1.00 0.00 C ATOM 1247 C GLU A 83 6.528 7.099 -7.307 1.00 0.00 C ATOM 1248 O GLU A 83 7.604 7.669 -7.131 1.00 0.00 O ATOM 1249 CB GLU A 83 5.991 4.721 -6.742 1.00 0.00 C ATOM 1250 CG GLU A 83 7.356 4.287 -7.247 1.00 0.00 C ATOM 1251 CD GLU A 83 7.296 3.020 -8.078 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.677 2.038 -7.619 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.867 3.012 -9.189 1.00 0.00 O ATOM 0 H GLU A 83 3.954 5.765 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 83 6.563 6.251 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.685 4.059 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.262 4.602 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.790 5.089 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.020 4.128 -6.397 1.00 0.00 H new ATOM 1260 N GLU A 84 5.802 7.247 -8.411 1.00 0.00 N ATOM 1261 CA GLU A 84 6.240 8.108 -9.503 1.00 0.00 C ATOM 1262 C GLU A 84 6.386 9.552 -9.033 1.00 0.00 C ATOM 1263 O GLU A 84 7.403 10.198 -9.286 1.00 0.00 O ATOM 1264 CB GLU A 84 5.250 8.037 -10.667 1.00 0.00 C ATOM 1265 CG GLU A 84 5.349 6.752 -11.473 1.00 0.00 C ATOM 1266 CD GLU A 84 6.418 6.818 -12.546 1.00 0.00 C ATOM 1267 OE1 GLU A 84 7.368 7.613 -12.389 1.00 0.00 O ATOM 1268 OE2 GLU A 84 6.305 6.075 -13.544 1.00 0.00 O ATOM 0 H GLU A 84 4.909 6.782 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 84 7.214 7.754 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.237 8.134 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.420 8.886 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.565 5.922 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.385 6.544 -11.938 1.00 0.00 H new ATOM 1275 N GLU A 85 5.362 10.052 -8.348 1.00 0.00 N ATOM 1276 CA GLU A 85 5.376 11.420 -7.844 1.00 0.00 C ATOM 1277 C GLU A 85 6.676 11.712 -7.099 1.00 0.00 C ATOM 1278 O GLU A 85 7.280 12.771 -7.275 1.00 0.00 O ATOM 1279 CB GLU A 85 4.181 11.658 -6.919 1.00 0.00 C ATOM 1280 CG GLU A 85 4.226 12.995 -6.199 1.00 0.00 C ATOM 1281 CD GLU A 85 4.297 14.170 -7.154 1.00 0.00 C ATOM 1282 OE1 GLU A 85 3.229 14.659 -7.577 1.00 0.00 O ATOM 1283 OE2 GLU A 85 5.423 14.602 -7.480 1.00 0.00 O ATOM 0 H GLU A 85 4.513 9.530 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 85 5.307 12.095 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.263 11.600 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.139 10.858 -6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.341 13.095 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.091 13.018 -5.536 1.00 0.00 H new ATOM 1290 N TYR A 86 7.099 10.767 -6.268 1.00 0.00 N ATOM 1291 CA TYR A 86 8.325 10.924 -5.494 1.00 0.00 C ATOM 1292 C TYR A 86 9.555 10.720 -6.373 1.00 0.00 C ATOM 1293 O TYR A 86 10.520 11.480 -6.297 1.00 0.00 O ATOM 1294 CB TYR A 86 8.348 9.932 -4.329 1.00 0.00 C ATOM 1295 CG TYR A 86 7.419 10.308 -3.196 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.562 11.517 -2.527 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.399 9.454 -2.795 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.716 11.864 -1.491 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.548 9.793 -1.761 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.711 10.999 -1.112 1.00 0.00 C ATOM 1301 OH TYR A 86 4.866 11.341 -0.081 1.00 0.00 O ATOM 0 H TYR A 86 6.612 9.884 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 86 8.347 11.940 -5.099 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.075 8.944 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.365 9.859 -3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.348 12.197 -2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.269 8.509 -3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.841 12.808 -0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.760 9.118 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 86 5.135 10.866 0.733 1.00 0.00 H new ATOM 1311 N LEU A 87 9.511 9.688 -7.209 1.00 0.00 N ATOM 1312 CA LEU A 87 10.621 9.382 -8.105 1.00 0.00 C ATOM 1313 C LEU A 87 11.048 10.621 -8.886 1.00 0.00 C ATOM 1314 O LEU A 87 12.233 10.942 -8.961 1.00 0.00 O ATOM 1315 CB LEU A 87 10.227 8.266 -9.074 1.00 0.00 C ATOM 1316 CG LEU A 87 10.407 6.837 -8.561 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.937 5.833 -9.602 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.862 6.583 -8.191 1.00 0.00 C ATOM 0 H LEU A 87 8.719 9.049 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 87 11.463 9.049 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.181 8.403 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.813 8.380 -9.986 1.00 0.00 H new ATOM 0 HG LEU A 87 9.798 6.713 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.073 4.821 -9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.882 6.000 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.519 5.956 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.972 5.561 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.491 6.726 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.166 7.280 -7.410 1.00 0.00 H new ATOM 1330 N ALA A 88 10.073 11.316 -9.463 1.00 0.00 N ATOM 1331 CA ALA A 88 10.347 12.522 -10.234 1.00 0.00 C ATOM 1332 C ALA A 88 11.475 13.332 -9.603 1.00 0.00 C ATOM 1333 O ALA A 88 12.316 13.893 -10.305 1.00 0.00 O ATOM 1334 CB ALA A 88 9.089 13.370 -10.352 1.00 0.00 C ATOM 0 H ALA A 88 9.086 11.064 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 88 10.665 12.221 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.308 14.268 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.309 12.797 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.747 13.654 -9.357 1.00 0.00 H new