USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 277 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 13 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.6!) USER MOD Single : A 14 MET CE :methyl 160:sc= -2.6 (180deg=-4.02) USER MOD Single : A 16 GLN : amide:sc= -0.603 K(o=-0.6,f=-0.079) USER MOD Single : A 17 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -5.97! C(o=-6!,f=-2.7!) USER MOD Single : A 25 SER OG : rot 76:sc= 0.271 USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= -0.551 (180deg=-2.26!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -169:sc= -4.73! (180deg=-5.05!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 36 TYR OH : rot 110:sc= -0.236 USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= -0.0921 (180deg=-0.636) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 5:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 133 N ARG A 8 -15.770 64.446 25.206 1.00 0.00 N ATOM 134 CA ARG A 8 -16.869 65.395 24.895 1.00 0.00 C ATOM 135 C ARG A 8 -18.213 64.692 25.095 1.00 0.00 C ATOM 136 O ARG A 8 -19.183 64.981 24.419 1.00 0.00 O ATOM 137 CB ARG A 8 -16.749 65.871 23.445 1.00 0.00 C ATOM 138 CG ARG A 8 -15.595 66.870 23.324 1.00 0.00 C ATOM 139 CD ARG A 8 -15.872 67.850 22.179 1.00 0.00 C ATOM 140 NE ARG A 8 -15.487 69.243 22.596 1.00 0.00 N ATOM 141 CZ ARG A 8 -15.950 69.804 23.694 1.00 0.00 C ATOM 142 NH1 ARG A 8 -16.923 69.258 24.385 1.00 0.00 N ATOM 143 NH2 ARG A 8 -15.471 70.958 24.071 1.00 0.00 N ATOM 0 HA ARG A 8 -16.803 66.257 25.559 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.577 65.020 22.786 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.681 66.337 23.127 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.475 67.415 24.260 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.660 66.339 23.142 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.309 67.557 21.293 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.928 67.820 21.910 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.844 69.772 22.007 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.338 68.379 24.075 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.264 69.712 25.232 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.747 71.415 23.517 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.821 71.403 24.919 1.00 0.00 H new ATOM 157 N ASP A 9 -18.273 63.769 26.020 1.00 0.00 N ATOM 158 CA ASP A 9 -19.546 63.033 26.277 1.00 0.00 C ATOM 159 C ASP A 9 -20.464 63.862 27.184 1.00 0.00 C ATOM 160 O ASP A 9 -21.658 63.637 27.233 1.00 0.00 O ATOM 161 CB ASP A 9 -19.228 61.699 26.958 1.00 0.00 C ATOM 162 CG ASP A 9 -20.208 60.629 26.473 1.00 0.00 C ATOM 163 OD1 ASP A 9 -21.368 60.957 26.287 1.00 0.00 O ATOM 164 OD2 ASP A 9 -19.782 59.500 26.296 1.00 0.00 O ATOM 0 H ASP A 9 -17.490 63.492 26.612 1.00 0.00 H new ATOM 0 HA ASP A 9 -20.053 62.855 25.329 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.205 61.399 26.732 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.297 61.806 28.041 1.00 0.00 H new ATOM 169 N ALA A 10 -19.919 64.813 27.907 1.00 0.00 N ATOM 170 CA ALA A 10 -20.764 65.647 28.812 1.00 0.00 C ATOM 171 C ALA A 10 -21.615 66.613 27.983 1.00 0.00 C ATOM 172 O ALA A 10 -22.752 66.881 28.310 1.00 0.00 O ATOM 173 CB ALA A 10 -19.862 66.446 29.756 1.00 0.00 C ATOM 0 H ALA A 10 -18.926 65.045 27.907 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.419 64.998 29.392 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.477 67.056 30.418 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.259 65.760 30.351 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.206 67.092 29.172 1.00 0.00 H new ATOM 179 N VAL A 11 -21.068 67.138 26.918 1.00 0.00 N ATOM 180 CA VAL A 11 -21.834 68.094 26.060 1.00 0.00 C ATOM 181 C VAL A 11 -22.840 67.319 25.196 1.00 0.00 C ATOM 182 O VAL A 11 -24.024 67.606 25.183 1.00 0.00 O ATOM 183 CB VAL A 11 -20.843 68.850 25.161 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.582 69.871 24.289 1.00 0.00 C ATOM 185 CG2 VAL A 11 -19.825 69.584 26.038 1.00 0.00 C ATOM 0 H VAL A 11 -20.117 66.945 26.603 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.380 68.802 26.684 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.336 68.133 24.515 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.865 70.397 23.659 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -22.308 69.355 23.660 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -22.099 70.588 24.927 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -19.120 70.122 25.404 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.345 70.291 26.684 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.285 68.862 26.650 1.00 0.00 H new ATOM 195 N LEU A 12 -22.366 66.338 24.477 1.00 0.00 N ATOM 196 CA LEU A 12 -23.252 65.523 23.591 1.00 0.00 C ATOM 197 C LEU A 12 -24.418 64.927 24.389 1.00 0.00 C ATOM 198 O LEU A 12 -25.537 64.853 23.916 1.00 0.00 O ATOM 199 CB LEU A 12 -22.409 64.385 22.994 1.00 0.00 C ATOM 200 CG LEU A 12 -22.664 64.245 21.489 1.00 0.00 C ATOM 201 CD1 LEU A 12 -24.133 63.904 21.240 1.00 0.00 C ATOM 202 CD2 LEU A 12 -22.310 65.553 20.772 1.00 0.00 C ATOM 0 H LEU A 12 -21.384 66.061 24.465 1.00 0.00 H new ATOM 0 HA LEU A 12 -23.665 66.156 22.805 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.351 64.580 23.171 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.649 63.448 23.496 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.037 63.443 21.099 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -24.307 63.806 20.168 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -24.377 62.964 21.735 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -24.764 64.699 21.639 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.495 65.444 19.703 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.926 66.362 21.166 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.258 65.785 20.937 1.00 0.00 H new ATOM 214 N ASN A 13 -24.148 64.474 25.578 1.00 0.00 N ATOM 215 CA ASN A 13 -25.217 63.837 26.410 1.00 0.00 C ATOM 216 C ASN A 13 -26.157 64.879 27.035 1.00 0.00 C ATOM 217 O ASN A 13 -27.352 64.666 27.107 1.00 0.00 O ATOM 218 CB ASN A 13 -24.562 63.023 27.527 1.00 0.00 C ATOM 219 CG ASN A 13 -23.975 61.733 26.946 1.00 0.00 C ATOM 220 OD1 ASN A 13 -23.700 61.653 25.765 1.00 0.00 O ATOM 221 ND2 ASN A 13 -23.771 60.713 27.733 1.00 0.00 N ATOM 0 H ASN A 13 -23.228 64.515 26.017 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.811 63.196 25.759 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.777 63.609 28.005 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -25.296 62.786 28.297 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.381 59.849 27.357 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.002 60.780 28.724 1.00 0.00 H new ATOM 228 N MET A 14 -25.637 65.980 27.515 1.00 0.00 N ATOM 229 CA MET A 14 -26.509 66.996 28.165 1.00 0.00 C ATOM 230 C MET A 14 -27.130 67.950 27.136 1.00 0.00 C ATOM 231 O MET A 14 -27.724 68.935 27.501 1.00 0.00 O ATOM 232 CB MET A 14 -25.685 67.781 29.184 1.00 0.00 C ATOM 233 CG MET A 14 -25.703 67.037 30.525 1.00 0.00 C ATOM 234 SD MET A 14 -24.246 65.970 30.654 1.00 0.00 S ATOM 235 CE MET A 14 -25.090 64.396 30.367 1.00 0.00 C ATOM 0 H MET A 14 -24.645 66.216 27.483 1.00 0.00 H new ATOM 0 HA MET A 14 -27.329 66.481 28.666 1.00 0.00 H new ATOM 0 HB2 MET A 14 -24.660 67.895 28.831 1.00 0.00 H new ATOM 0 HB3 MET A 14 -26.094 68.784 29.305 1.00 0.00 H new ATOM 0 HG2 MET A 14 -25.716 67.752 31.348 1.00 0.00 H new ATOM 0 HG3 MET A 14 -26.611 66.440 30.608 1.00 0.00 H new ATOM 0 HE1 MET A 14 -24.364 63.646 30.053 1.00 0.00 H new ATOM 0 HE2 MET A 14 -25.574 64.069 31.288 1.00 0.00 H new ATOM 0 HE3 MET A 14 -25.841 64.523 29.588 1.00 0.00 H new ATOM 245 N TRP A 15 -27.014 67.670 25.864 1.00 0.00 N ATOM 246 CA TRP A 15 -27.619 68.569 24.833 1.00 0.00 C ATOM 247 C TRP A 15 -28.607 67.790 23.984 1.00 0.00 C ATOM 248 O TRP A 15 -29.730 68.194 23.753 1.00 0.00 O ATOM 249 CB TRP A 15 -26.521 69.031 23.885 1.00 0.00 C ATOM 250 CG TRP A 15 -26.066 70.377 24.245 1.00 0.00 C ATOM 251 CD1 TRP A 15 -24.813 70.669 24.553 1.00 0.00 C ATOM 252 CD2 TRP A 15 -26.813 71.607 24.310 1.00 0.00 C ATOM 253 NE1 TRP A 15 -24.735 72.010 24.854 1.00 0.00 N ATOM 254 CE2 TRP A 15 -25.942 72.638 24.695 1.00 0.00 C ATOM 255 CE3 TRP A 15 -28.145 71.920 24.077 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -26.380 73.947 24.843 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -28.599 73.230 24.225 1.00 0.00 C ATOM 258 CH2 TRP A 15 -27.715 74.243 24.607 1.00 0.00 C ATOM 0 H TRP A 15 -26.525 66.855 25.493 1.00 0.00 H new ATOM 0 HA TRP A 15 -28.107 69.402 25.339 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -25.683 68.335 23.923 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -26.892 69.028 22.860 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -23.989 69.971 24.566 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -23.882 72.479 25.158 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -28.834 71.144 23.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -25.691 74.725 25.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -29.638 73.463 24.044 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -28.071 75.256 24.719 1.00 0.00 H new ATOM 269 N GLN A 16 -28.132 66.709 23.458 1.00 0.00 N ATOM 270 CA GLN A 16 -28.935 65.884 22.533 1.00 0.00 C ATOM 271 C GLN A 16 -29.969 65.047 23.294 1.00 0.00 C ATOM 272 O GLN A 16 -30.923 64.566 22.711 1.00 0.00 O ATOM 273 CB GLN A 16 -27.956 65.006 21.751 1.00 0.00 C ATOM 274 CG GLN A 16 -26.872 65.905 21.110 1.00 0.00 C ATOM 275 CD GLN A 16 -27.515 66.782 20.034 1.00 0.00 C ATOM 276 OE1 GLN A 16 -27.536 66.423 18.874 1.00 0.00 O ATOM 277 NE2 GLN A 16 -28.045 67.926 20.372 1.00 0.00 N ATOM 0 H GLN A 16 -27.193 66.352 23.636 1.00 0.00 H new ATOM 0 HA GLN A 16 -29.505 66.512 21.848 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -27.494 64.275 22.414 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -28.486 64.447 20.980 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -26.403 66.528 21.871 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -26.085 65.290 20.672 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -28.028 68.228 21.346 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -28.476 68.518 19.662 1.00 0.00 H new ATOM 286 N GLN A 17 -29.811 64.887 24.587 1.00 0.00 N ATOM 287 CA GLN A 17 -30.813 64.104 25.366 1.00 0.00 C ATOM 288 C GLN A 17 -32.087 64.943 25.532 1.00 0.00 C ATOM 289 O GLN A 17 -33.174 64.412 25.665 1.00 0.00 O ATOM 290 CB GLN A 17 -30.240 63.758 26.739 1.00 0.00 C ATOM 291 CG GLN A 17 -29.160 62.689 26.576 1.00 0.00 C ATOM 292 CD GLN A 17 -28.563 62.351 27.943 1.00 0.00 C ATOM 293 OE1 GLN A 17 -28.468 63.202 28.805 1.00 0.00 O ATOM 294 NE2 GLN A 17 -28.153 61.134 28.180 1.00 0.00 N ATOM 0 H GLN A 17 -29.035 65.264 25.131 1.00 0.00 H new ATOM 0 HA GLN A 17 -31.050 63.181 24.837 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -29.820 64.649 27.206 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -31.031 63.396 27.396 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -29.585 61.794 26.122 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -28.379 63.046 25.905 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -28.232 60.419 27.457 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -27.753 60.898 29.088 1.00 0.00 H new ATOM 303 N GLY A 18 -31.961 66.250 25.517 1.00 0.00 N ATOM 304 CA GLY A 18 -33.162 67.129 25.666 1.00 0.00 C ATOM 305 C GLY A 18 -32.918 68.159 26.772 1.00 0.00 C ATOM 306 O GLY A 18 -33.548 68.121 27.812 1.00 0.00 O ATOM 0 H GLY A 18 -31.076 66.745 25.408 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -33.372 67.636 24.724 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -34.038 66.526 25.905 1.00 0.00 H new ATOM 310 N LEU A 19 -32.000 69.071 26.561 1.00 0.00 N ATOM 311 CA LEU A 19 -31.702 70.096 27.600 1.00 0.00 C ATOM 312 C LEU A 19 -31.809 71.498 27.017 1.00 0.00 C ATOM 313 O LEU A 19 -32.211 71.689 25.885 1.00 0.00 O ATOM 314 CB LEU A 19 -30.275 69.896 28.094 1.00 0.00 C ATOM 315 CG LEU A 19 -30.089 68.544 28.809 1.00 0.00 C ATOM 316 CD1 LEU A 19 -31.242 68.250 29.780 1.00 0.00 C ATOM 317 CD2 LEU A 19 -29.983 67.413 27.774 1.00 0.00 C ATOM 0 H LEU A 19 -31.444 69.147 25.709 1.00 0.00 H new ATOM 0 HA LEU A 19 -32.419 69.987 28.414 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -29.589 69.955 27.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -30.012 70.705 28.776 1.00 0.00 H new ATOM 0 HG LEU A 19 -29.168 68.601 29.389 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -31.074 67.288 30.264 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -31.289 69.033 30.536 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -32.182 68.220 29.230 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -29.852 66.461 28.288 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -30.894 67.380 27.176 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -29.128 67.595 27.123 1.00 0.00 H new ATOM 329 N GLY A 20 -31.440 72.480 27.798 1.00 0.00 N ATOM 330 CA GLY A 20 -31.503 73.887 27.312 1.00 0.00 C ATOM 331 C GLY A 20 -30.803 74.838 28.293 1.00 0.00 C ATOM 332 O GLY A 20 -31.261 75.038 29.396 1.00 0.00 O ATOM 0 H GLY A 20 -31.098 72.366 28.752 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -31.032 73.959 26.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -32.544 74.187 27.189 1.00 0.00 H new ATOM 336 N ALA A 21 -29.695 75.416 27.866 1.00 0.00 N ATOM 337 CA ALA A 21 -28.888 76.398 28.686 1.00 0.00 C ATOM 338 C ALA A 21 -29.017 76.208 30.215 1.00 0.00 C ATOM 339 O ALA A 21 -28.177 75.591 30.841 1.00 0.00 O ATOM 340 CB ALA A 21 -29.326 77.816 28.311 1.00 0.00 C ATOM 0 H ALA A 21 -29.300 75.239 26.942 1.00 0.00 H new ATOM 0 HA ALA A 21 -27.839 76.219 28.452 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -28.754 78.539 28.893 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -29.148 77.983 27.249 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -30.388 77.937 28.524 1.00 0.00 H new ATOM 346 N SER A 22 -30.044 76.759 30.814 1.00 0.00 N ATOM 347 CA SER A 22 -30.218 76.645 32.296 1.00 0.00 C ATOM 348 C SER A 22 -30.344 75.179 32.717 1.00 0.00 C ATOM 349 O SER A 22 -29.595 74.696 33.549 1.00 0.00 O ATOM 350 CB SER A 22 -31.481 77.399 32.713 1.00 0.00 C ATOM 351 OG SER A 22 -31.177 78.781 32.855 1.00 0.00 O ATOM 0 H SER A 22 -30.775 77.287 30.336 1.00 0.00 H new ATOM 0 HA SER A 22 -29.343 77.074 32.785 1.00 0.00 H new ATOM 0 HB2 SER A 22 -32.264 77.262 31.967 1.00 0.00 H new ATOM 0 HB3 SER A 22 -31.863 77.000 33.653 1.00 0.00 H new ATOM 0 HG SER A 22 -31.985 79.268 33.121 1.00 0.00 H new ATOM 357 N HIS A 23 -31.295 74.471 32.164 1.00 0.00 N ATOM 358 CA HIS A 23 -31.488 73.040 32.541 1.00 0.00 C ATOM 359 C HIS A 23 -30.205 72.244 32.274 1.00 0.00 C ATOM 360 O HIS A 23 -29.910 71.285 32.966 1.00 0.00 O ATOM 361 CB HIS A 23 -32.636 72.446 31.726 1.00 0.00 C ATOM 362 CG HIS A 23 -32.970 71.086 32.269 1.00 0.00 C ATOM 363 ND1 HIS A 23 -34.193 70.799 32.853 1.00 0.00 N ATOM 364 CD2 HIS A 23 -32.242 69.927 32.331 1.00 0.00 C ATOM 365 CE1 HIS A 23 -34.163 69.510 33.240 1.00 0.00 C ATOM 366 NE2 HIS A 23 -32.996 68.932 32.945 1.00 0.00 N ATOM 0 H HIS A 23 -31.948 74.825 31.465 1.00 0.00 H new ATOM 0 HA HIS A 23 -31.726 72.984 33.603 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -33.509 73.096 31.777 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -32.354 72.373 30.676 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -31.235 69.804 31.960 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -34.983 69.005 33.729 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -32.717 67.968 33.130 1.00 0.00 H new ATOM 374 N ILE A 24 -29.435 72.638 31.289 1.00 0.00 N ATOM 375 CA ILE A 24 -28.156 71.878 31.006 1.00 0.00 C ATOM 376 C ILE A 24 -27.214 72.122 32.184 1.00 0.00 C ATOM 377 O ILE A 24 -26.484 71.249 32.598 1.00 0.00 O ATOM 378 CB ILE A 24 -27.432 72.314 29.697 1.00 0.00 C ATOM 379 CG1 ILE A 24 -28.365 73.097 28.781 1.00 0.00 C ATOM 380 CG2 ILE A 24 -26.948 71.060 28.939 1.00 0.00 C ATOM 381 CD1 ILE A 24 -27.638 73.500 27.500 1.00 0.00 C ATOM 0 H ILE A 24 -29.621 73.432 30.677 1.00 0.00 H new ATOM 0 HA ILE A 24 -28.420 70.829 30.875 1.00 0.00 H new ATOM 0 HB ILE A 24 -26.592 72.951 29.974 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -29.238 72.491 28.536 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -28.728 73.986 29.296 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.441 71.362 28.023 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.257 70.499 29.568 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -27.804 70.432 28.690 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -28.318 74.058 26.856 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -26.780 74.124 27.750 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -27.297 72.606 26.978 1.00 0.00 H new ATOM 393 N SER A 25 -27.237 73.311 32.732 1.00 0.00 N ATOM 394 CA SER A 25 -26.355 73.627 33.895 1.00 0.00 C ATOM 395 C SER A 25 -26.683 72.678 35.051 1.00 0.00 C ATOM 396 O SER A 25 -25.828 72.342 35.850 1.00 0.00 O ATOM 397 CB SER A 25 -26.592 75.072 34.338 1.00 0.00 C ATOM 398 OG SER A 25 -25.655 75.411 35.351 1.00 0.00 O ATOM 0 H SER A 25 -27.832 74.079 32.422 1.00 0.00 H new ATOM 0 HA SER A 25 -25.311 73.504 33.606 1.00 0.00 H new ATOM 0 HB2 SER A 25 -26.487 75.747 33.489 1.00 0.00 H new ATOM 0 HB3 SER A 25 -27.609 75.188 34.713 1.00 0.00 H new ATOM 0 HG SER A 25 -24.777 75.568 34.945 1.00 0.00 H new ATOM 404 N LYS A 26 -27.915 72.237 35.137 1.00 0.00 N ATOM 405 CA LYS A 26 -28.302 71.300 36.231 1.00 0.00 C ATOM 406 C LYS A 26 -27.575 69.969 36.032 1.00 0.00 C ATOM 407 O LYS A 26 -26.925 69.468 36.931 1.00 0.00 O ATOM 408 CB LYS A 26 -29.812 71.067 36.203 1.00 0.00 C ATOM 409 CG LYS A 26 -30.521 72.197 36.954 1.00 0.00 C ATOM 410 CD LYS A 26 -30.983 73.264 35.959 1.00 0.00 C ATOM 411 CE LYS A 26 -30.924 74.641 36.623 1.00 0.00 C ATOM 412 NZ LYS A 26 -31.508 75.661 35.706 1.00 0.00 N ATOM 0 H LYS A 26 -28.667 72.487 34.495 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.025 71.730 37.193 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.164 71.025 35.172 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.050 70.107 36.661 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.376 71.802 37.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.847 72.638 37.689 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.349 73.249 35.073 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.999 73.052 35.628 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -31.473 74.626 37.565 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -29.892 74.898 36.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -30.758 76.301 35.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -31.942 75.186 34.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -32.233 76.209 36.212 1.00 0.00 H new ATOM 426 N THR A 27 -27.673 69.397 34.856 1.00 0.00 N ATOM 427 CA THR A 27 -26.980 68.102 34.590 1.00 0.00 C ATOM 428 C THR A 27 -25.478 68.366 34.438 1.00 0.00 C ATOM 429 O THR A 27 -24.695 68.055 35.316 1.00 0.00 O ATOM 430 CB THR A 27 -27.539 67.476 33.309 1.00 0.00 C ATOM 431 OG1 THR A 27 -28.948 67.343 33.427 1.00 0.00 O ATOM 432 CG2 THR A 27 -26.912 66.099 33.099 1.00 0.00 C ATOM 0 H THR A 27 -28.204 69.773 34.070 1.00 0.00 H new ATOM 0 HA THR A 27 -27.145 67.412 35.418 1.00 0.00 H new ATOM 0 HB THR A 27 -27.303 68.114 32.458 1.00 0.00 H new ATOM 0 HG1 THR A 27 -29.309 66.944 32.608 1.00 0.00 H new ATOM 0 HG21 THR A 27 -27.310 65.653 32.187 1.00 0.00 H new ATOM 0 HG22 THR A 27 -25.830 66.201 33.011 1.00 0.00 H new ATOM 0 HG23 THR A 27 -27.148 65.458 33.949 1.00 0.00 H new ATOM 440 N MET A 28 -25.076 68.965 33.345 1.00 0.00 N ATOM 441 CA MET A 28 -23.660 69.289 33.133 1.00 0.00 C ATOM 442 C MET A 28 -23.384 70.572 33.901 1.00 0.00 C ATOM 443 O MET A 28 -23.718 71.645 33.455 1.00 0.00 O ATOM 444 CB MET A 28 -23.442 69.511 31.636 1.00 0.00 C ATOM 445 CG MET A 28 -22.141 68.851 31.196 1.00 0.00 C ATOM 446 SD MET A 28 -21.358 69.836 29.886 1.00 0.00 S ATOM 447 CE MET A 28 -22.813 70.045 28.823 1.00 0.00 C ATOM 0 H MET A 28 -25.694 69.243 32.583 1.00 0.00 H new ATOM 0 HA MET A 28 -22.997 68.494 33.474 1.00 0.00 H new ATOM 0 HB2 MET A 28 -24.278 69.097 31.073 1.00 0.00 H new ATOM 0 HB3 MET A 28 -23.409 70.579 31.419 1.00 0.00 H new ATOM 0 HG2 MET A 28 -21.465 68.758 32.046 1.00 0.00 H new ATOM 0 HG3 MET A 28 -22.339 67.842 30.835 1.00 0.00 H new ATOM 0 HE1 MET A 28 -22.505 70.458 27.862 1.00 0.00 H new ATOM 0 HE2 MET A 28 -23.291 69.078 28.666 1.00 0.00 H new ATOM 0 HE3 MET A 28 -23.518 70.725 29.301 1.00 0.00 H new ATOM 457 N ASN A 29 -22.825 70.456 35.070 1.00 0.00 N ATOM 458 CA ASN A 29 -22.556 71.661 35.914 1.00 0.00 C ATOM 459 C ASN A 29 -21.669 72.668 35.171 1.00 0.00 C ATOM 460 O ASN A 29 -20.459 72.650 35.299 1.00 0.00 O ATOM 461 CB ASN A 29 -21.854 71.227 37.202 1.00 0.00 C ATOM 462 CG ASN A 29 -21.822 72.399 38.186 1.00 0.00 C ATOM 463 OD1 ASN A 29 -22.800 72.676 38.850 1.00 0.00 O ATOM 464 ND2 ASN A 29 -20.730 73.103 38.307 1.00 0.00 N ATOM 0 H ASN A 29 -22.538 69.570 35.486 1.00 0.00 H new ATOM 0 HA ASN A 29 -23.507 72.141 36.143 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -22.377 70.380 37.646 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.839 70.895 36.982 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.698 73.886 38.960 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.909 72.870 37.749 1.00 0.00 H new ATOM 471 N ILE A 30 -22.264 73.557 34.412 1.00 0.00 N ATOM 472 CA ILE A 30 -21.452 74.585 33.676 1.00 0.00 C ATOM 473 C ILE A 30 -22.342 75.767 33.272 1.00 0.00 C ATOM 474 O ILE A 30 -23.553 75.656 33.224 1.00 0.00 O ATOM 475 CB ILE A 30 -20.808 73.980 32.411 1.00 0.00 C ATOM 476 CG1 ILE A 30 -21.721 72.924 31.762 1.00 0.00 C ATOM 477 CG2 ILE A 30 -19.481 73.322 32.790 1.00 0.00 C ATOM 478 CD1 ILE A 30 -23.104 73.520 31.469 1.00 0.00 C ATOM 0 H ILE A 30 -23.272 73.618 34.269 1.00 0.00 H new ATOM 0 HA ILE A 30 -20.661 74.929 34.343 1.00 0.00 H new ATOM 0 HB ILE A 30 -20.650 74.785 31.693 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -21.270 72.563 30.838 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -21.821 72.064 32.424 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -19.021 72.892 31.900 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -18.814 74.070 33.219 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -19.661 72.534 33.522 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -23.738 72.761 31.010 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -23.559 73.858 32.400 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -22.999 74.365 30.788 1.00 0.00 H new ATOM 490 N ALA A 31 -21.744 76.896 32.974 1.00 0.00 N ATOM 491 CA ALA A 31 -22.541 78.092 32.561 1.00 0.00 C ATOM 492 C ALA A 31 -23.184 77.815 31.201 1.00 0.00 C ATOM 493 O ALA A 31 -22.670 77.040 30.418 1.00 0.00 O ATOM 494 CB ALA A 31 -21.620 79.309 32.454 1.00 0.00 C ATOM 0 H ALA A 31 -20.735 77.040 33.000 1.00 0.00 H new ATOM 0 HA ALA A 31 -23.316 78.293 33.301 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.202 80.180 32.153 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.155 79.500 33.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.846 79.115 31.711 1.00 0.00 H new ATOM 500 N ARG A 32 -24.313 78.419 30.921 1.00 0.00 N ATOM 501 CA ARG A 32 -24.995 78.164 29.626 1.00 0.00 C ATOM 502 C ARG A 32 -24.290 78.884 28.469 1.00 0.00 C ATOM 503 O ARG A 32 -24.120 78.321 27.407 1.00 0.00 O ATOM 504 CB ARG A 32 -26.453 78.629 29.729 1.00 0.00 C ATOM 505 CG ARG A 32 -26.531 80.158 29.864 1.00 0.00 C ATOM 506 CD ARG A 32 -27.991 80.581 30.029 1.00 0.00 C ATOM 507 NE ARG A 32 -28.067 81.861 30.814 1.00 0.00 N ATOM 508 CZ ARG A 32 -27.537 81.985 32.012 1.00 0.00 C ATOM 509 NH1 ARG A 32 -27.077 80.947 32.668 1.00 0.00 N ATOM 510 NH2 ARG A 32 -27.522 83.158 32.584 1.00 0.00 N ATOM 0 H ARG A 32 -24.788 79.078 31.538 1.00 0.00 H new ATOM 0 HA ARG A 32 -24.959 77.095 29.417 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -27.005 78.309 28.845 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -26.929 78.159 30.589 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -25.946 80.488 30.723 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -26.101 80.634 28.983 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -28.452 80.716 29.051 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -28.550 79.797 30.540 1.00 0.00 H new ATOM 0 HE ARG A 32 -28.547 82.662 30.403 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -27.126 80.018 32.251 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -26.671 81.069 33.596 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -27.918 83.965 32.103 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -27.114 83.267 33.512 1.00 0.00 H new ATOM 524 N SER A 33 -23.899 80.119 28.656 1.00 0.00 N ATOM 525 CA SER A 33 -23.225 80.863 27.550 1.00 0.00 C ATOM 526 C SER A 33 -21.899 80.174 27.215 1.00 0.00 C ATOM 527 O SER A 33 -21.561 79.981 26.063 1.00 0.00 O ATOM 528 CB SER A 33 -22.960 82.305 27.985 1.00 0.00 C ATOM 529 OG SER A 33 -22.865 83.133 26.833 1.00 0.00 O ATOM 0 H SER A 33 -24.017 80.642 29.523 1.00 0.00 H new ATOM 0 HA SER A 33 -23.867 80.869 26.669 1.00 0.00 H new ATOM 0 HB2 SER A 33 -23.763 82.655 28.633 1.00 0.00 H new ATOM 0 HB3 SER A 33 -22.037 82.359 28.563 1.00 0.00 H new ATOM 0 HG SER A 33 -22.697 84.058 27.108 1.00 0.00 H new ATOM 535 N THR A 34 -21.155 79.780 28.223 1.00 0.00 N ATOM 536 CA THR A 34 -19.854 79.074 27.991 1.00 0.00 C ATOM 537 C THR A 34 -20.129 77.820 27.160 1.00 0.00 C ATOM 538 O THR A 34 -19.433 77.492 26.205 1.00 0.00 O ATOM 539 CB THR A 34 -19.274 78.666 29.347 1.00 0.00 C ATOM 540 OG1 THR A 34 -19.112 79.822 30.156 1.00 0.00 O ATOM 541 CG2 THR A 34 -17.918 77.984 29.152 1.00 0.00 C ATOM 0 H THR A 34 -21.396 79.919 29.204 1.00 0.00 H new ATOM 0 HA THR A 34 -19.150 79.721 27.468 1.00 0.00 H new ATOM 0 HB THR A 34 -19.956 77.969 29.834 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.742 79.563 31.026 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.512 77.697 30.122 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.043 77.095 28.534 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.231 78.674 28.661 1.00 0.00 H new ATOM 549 N VAL A 35 -21.170 77.129 27.518 1.00 0.00 N ATOM 550 CA VAL A 35 -21.563 75.909 26.785 1.00 0.00 C ATOM 551 C VAL A 35 -21.826 76.277 25.326 1.00 0.00 C ATOM 552 O VAL A 35 -21.508 75.515 24.445 1.00 0.00 O ATOM 553 CB VAL A 35 -22.815 75.337 27.493 1.00 0.00 C ATOM 554 CG1 VAL A 35 -23.701 74.451 26.590 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.317 74.501 28.661 1.00 0.00 C ATOM 0 H VAL A 35 -21.774 77.367 28.304 1.00 0.00 H new ATOM 0 HA VAL A 35 -20.783 75.148 26.786 1.00 0.00 H new ATOM 0 HB VAL A 35 -23.441 76.176 27.798 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -24.556 74.090 27.161 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -24.053 75.035 25.740 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -23.120 73.602 26.231 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -23.168 74.075 29.193 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -21.683 73.697 28.288 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -21.743 75.131 29.341 1.00 0.00 H new ATOM 565 N TYR A 36 -22.403 77.428 25.069 1.00 0.00 N ATOM 566 CA TYR A 36 -22.694 77.803 23.657 1.00 0.00 C ATOM 567 C TYR A 36 -21.429 78.124 22.900 1.00 0.00 C ATOM 568 O TYR A 36 -21.396 77.984 21.698 1.00 0.00 O ATOM 569 CB TYR A 36 -23.680 78.958 23.581 1.00 0.00 C ATOM 570 CG TYR A 36 -25.096 78.437 23.715 1.00 0.00 C ATOM 571 CD1 TYR A 36 -25.509 77.220 23.111 1.00 0.00 C ATOM 572 CD2 TYR A 36 -26.005 79.190 24.450 1.00 0.00 C ATOM 573 CE1 TYR A 36 -26.820 76.786 23.253 1.00 0.00 C ATOM 574 CE2 TYR A 36 -27.321 78.760 24.591 1.00 0.00 C ATOM 575 CZ TYR A 36 -27.737 77.558 23.993 1.00 0.00 C ATOM 576 OH TYR A 36 -29.044 77.138 24.131 1.00 0.00 O ATOM 0 H TYR A 36 -22.681 78.114 25.771 1.00 0.00 H new ATOM 0 HA TYR A 36 -23.156 76.938 23.182 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -23.472 79.678 24.372 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -23.565 79.484 22.633 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -24.804 76.633 22.542 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -25.688 80.113 24.913 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -27.136 75.859 22.797 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -28.023 79.351 25.161 1.00 0.00 H new ATOM 0 HH TYR A 36 -29.202 76.859 25.057 1.00 0.00 H new ATOM 586 N LYS A 37 -20.362 78.478 23.568 1.00 0.00 N ATOM 587 CA LYS A 37 -19.085 78.691 22.828 1.00 0.00 C ATOM 588 C LYS A 37 -18.775 77.358 22.138 1.00 0.00 C ATOM 589 O LYS A 37 -18.291 77.296 21.024 1.00 0.00 O ATOM 590 CB LYS A 37 -17.965 79.019 23.801 1.00 0.00 C ATOM 591 CG LYS A 37 -17.851 80.538 23.969 1.00 0.00 C ATOM 592 CD LYS A 37 -18.611 80.984 25.224 1.00 0.00 C ATOM 593 CE LYS A 37 -17.617 81.307 26.343 1.00 0.00 C ATOM 594 NZ LYS A 37 -16.807 82.498 25.960 1.00 0.00 N ATOM 0 H LYS A 37 -20.319 78.627 24.576 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.171 79.514 22.119 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.160 78.551 24.766 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.022 78.613 23.435 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.803 80.826 24.047 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.255 81.041 23.091 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.219 81.861 25.000 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.293 80.197 25.546 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.151 81.501 27.273 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.964 80.452 26.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.543 83.028 26.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.946 82.188 25.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.366 83.110 25.332 1.00 0.00 H new ATOM 608 N VAL A 38 -19.097 76.287 22.827 1.00 0.00 N ATOM 609 CA VAL A 38 -18.887 74.921 22.282 1.00 0.00 C ATOM 610 C VAL A 38 -19.892 74.604 21.149 1.00 0.00 C ATOM 611 O VAL A 38 -19.525 74.203 20.063 1.00 0.00 O ATOM 612 CB VAL A 38 -19.140 73.903 23.400 1.00 0.00 C ATOM 613 CG1 VAL A 38 -18.764 72.508 22.909 1.00 0.00 C ATOM 614 CG2 VAL A 38 -18.330 74.260 24.655 1.00 0.00 C ATOM 0 H VAL A 38 -19.504 76.311 23.762 1.00 0.00 H new ATOM 0 HA VAL A 38 -17.870 74.867 21.895 1.00 0.00 H new ATOM 0 HB VAL A 38 -20.198 73.923 23.663 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.943 71.782 23.702 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.370 72.252 22.040 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.710 72.491 22.633 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -18.525 73.524 25.435 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.267 74.260 24.414 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -18.622 75.249 25.008 1.00 0.00 H new ATOM 624 N ILE A 39 -21.160 74.732 21.443 1.00 0.00 N ATOM 625 CA ILE A 39 -22.248 74.394 20.461 1.00 0.00 C ATOM 626 C ILE A 39 -22.031 75.129 19.147 1.00 0.00 C ATOM 627 O ILE A 39 -22.350 74.642 18.079 1.00 0.00 O ATOM 628 CB ILE A 39 -23.628 74.755 21.059 1.00 0.00 C ATOM 629 CG1 ILE A 39 -23.709 74.414 22.551 1.00 0.00 C ATOM 630 CG2 ILE A 39 -24.726 73.958 20.357 1.00 0.00 C ATOM 631 CD1 ILE A 39 -23.338 72.966 22.764 1.00 0.00 C ATOM 0 H ILE A 39 -21.501 75.065 22.345 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.218 73.323 20.261 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.760 75.828 20.919 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -23.037 75.059 23.118 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -24.717 74.599 22.922 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -25.694 74.218 20.784 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.724 74.194 19.293 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -24.545 72.892 20.492 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -23.397 72.728 23.826 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.027 72.329 22.210 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -22.322 72.795 22.410 1.00 0.00 H new ATOM 643 N ASN A 40 -21.470 76.285 19.234 1.00 0.00 N ATOM 644 CA ASN A 40 -21.182 77.093 18.019 1.00 0.00 C ATOM 645 C ASN A 40 -20.028 76.441 17.261 1.00 0.00 C ATOM 646 O ASN A 40 -20.042 76.345 16.048 1.00 0.00 O ATOM 647 CB ASN A 40 -20.773 78.504 18.437 1.00 0.00 C ATOM 648 CG ASN A 40 -20.753 79.417 17.210 1.00 0.00 C ATOM 649 OD1 ASN A 40 -21.788 79.750 16.668 1.00 0.00 O ATOM 650 ND2 ASN A 40 -19.609 79.839 16.744 1.00 0.00 N ATOM 0 H ASN A 40 -21.189 76.722 20.112 1.00 0.00 H new ATOM 0 HA ASN A 40 -22.067 77.143 17.385 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.471 78.891 19.179 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.789 78.485 18.905 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.585 80.448 15.926 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -18.739 79.560 17.198 1.00 0.00 H new ATOM 657 N GLU A 41 -19.025 75.993 17.976 1.00 0.00 N ATOM 658 CA GLU A 41 -17.857 75.345 17.316 1.00 0.00 C ATOM 659 C GLU A 41 -18.069 73.828 17.217 1.00 0.00 C ATOM 660 O GLU A 41 -17.132 73.083 16.994 1.00 0.00 O ATOM 661 CB GLU A 41 -16.605 75.631 18.143 1.00 0.00 C ATOM 662 CG GLU A 41 -16.393 77.145 18.230 1.00 0.00 C ATOM 663 CD GLU A 41 -15.246 77.563 17.306 1.00 0.00 C ATOM 664 OE1 GLU A 41 -15.361 77.337 16.113 1.00 0.00 O ATOM 665 OE2 GLU A 41 -14.274 78.102 17.808 1.00 0.00 O ATOM 0 H GLU A 41 -18.968 76.050 18.993 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.745 75.746 16.309 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.711 75.209 19.142 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.737 75.156 17.686 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -17.308 77.666 17.948 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -16.167 77.431 19.257 1.00 0.00 H new ATOM 672 N SER A 42 -19.286 73.362 17.379 1.00 0.00 N ATOM 673 CA SER A 42 -19.547 71.895 17.292 1.00 0.00 C ATOM 674 C SER A 42 -21.055 71.652 17.170 1.00 0.00 C ATOM 675 O SER A 42 -21.712 71.273 18.123 1.00 0.00 O ATOM 676 CB SER A 42 -19.015 71.208 18.551 1.00 0.00 C ATOM 677 OG SER A 42 -17.603 71.069 18.448 1.00 0.00 O ATOM 0 H SER A 42 -20.107 73.937 17.568 1.00 0.00 H new ATOM 0 HA SER A 42 -19.043 71.485 16.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 -19.271 71.793 19.434 1.00 0.00 H new ATOM 0 HB3 SER A 42 -19.481 70.230 18.670 1.00 0.00 H new ATOM 0 HG SER A 42 -17.289 71.516 17.634 1.00 0.00 H new