USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=10 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 Set 1.1: A 23 HIS : no HD1:sc= -10.3! C(o=-10!,f=-5.9!) USER MOD Set 1.2: A 27 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 14 MET CE :methyl -121:sc= -2.62 (180deg=-8.83!) USER MOD Set 2.2: A 28 MET CE :methyl -161:sc= -7.78! (180deg=-8.88!) USER MOD Set 3.1: A 13 ASN : amide:sc= -0.183 K(o=-2.2,f=-3.8) USER MOD Set 3.2: A 17 GLN : amide:sc= -2 K(o=-2.2,f=-3.6!) USER MOD Single : A 16 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 80:sc= -2.82 USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= -1.32 (180deg=-2.23!) USER MOD Single : A 29 ASN : amide:sc= -3.34 K(o=-3.3,f=-5.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 36 TYR OH : rot 35:sc= 0.448 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 110:sc= -2.62! USER MOD ----------------------------------------------------------------- ATOM 133 N ARG A 8 -23.127 67.675 20.463 1.00 0.00 N ATOM 134 CA ARG A 8 -22.625 68.303 21.709 1.00 0.00 C ATOM 135 C ARG A 8 -21.302 67.651 22.119 1.00 0.00 C ATOM 136 O ARG A 8 -21.002 67.527 23.291 1.00 0.00 O ATOM 137 CB ARG A 8 -23.654 68.118 22.828 1.00 0.00 C ATOM 138 CG ARG A 8 -24.662 69.272 22.797 1.00 0.00 C ATOM 139 CD ARG A 8 -25.938 68.822 22.082 1.00 0.00 C ATOM 140 NE ARG A 8 -26.830 68.116 23.053 1.00 0.00 N ATOM 141 CZ ARG A 8 -28.099 67.885 22.778 1.00 0.00 C ATOM 142 NH1 ARG A 8 -28.638 68.268 21.643 1.00 0.00 N ATOM 143 NH2 ARG A 8 -28.838 67.261 23.655 1.00 0.00 N ATOM 0 HA ARG A 8 -22.465 69.367 21.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.172 67.167 22.706 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.152 68.086 23.795 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.896 69.591 23.813 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.230 70.132 22.284 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.454 69.684 21.658 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.689 68.160 21.253 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.449 67.807 23.947 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.072 68.757 20.949 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.622 68.077 21.456 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.432 66.958 24.541 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.821 67.076 23.455 1.00 0.00 H new ATOM 157 N ASP A 9 -20.513 67.233 21.162 1.00 0.00 N ATOM 158 CA ASP A 9 -19.207 66.587 21.486 1.00 0.00 C ATOM 159 C ASP A 9 -18.308 67.573 22.241 1.00 0.00 C ATOM 160 O ASP A 9 -17.399 67.174 22.945 1.00 0.00 O ATOM 161 CB ASP A 9 -18.516 66.160 20.190 1.00 0.00 C ATOM 162 CG ASP A 9 -19.251 64.959 19.590 1.00 0.00 C ATOM 163 OD1 ASP A 9 -20.464 65.029 19.475 1.00 0.00 O ATOM 164 OD2 ASP A 9 -18.589 63.990 19.256 1.00 0.00 O ATOM 0 H ASP A 9 -20.719 67.312 20.166 1.00 0.00 H new ATOM 0 HA ASP A 9 -19.386 65.714 22.113 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.509 66.987 19.480 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.476 65.901 20.388 1.00 0.00 H new ATOM 169 N ALA A 10 -18.550 68.854 22.098 1.00 0.00 N ATOM 170 CA ALA A 10 -17.706 69.863 22.804 1.00 0.00 C ATOM 171 C ALA A 10 -18.002 69.826 24.306 1.00 0.00 C ATOM 172 O ALA A 10 -17.103 69.732 25.121 1.00 0.00 O ATOM 173 CB ALA A 10 -18.018 71.258 22.259 1.00 0.00 C ATOM 0 H ALA A 10 -19.297 69.242 21.522 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.654 69.631 22.638 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.402 71.996 22.774 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.803 71.288 21.191 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.071 71.486 22.424 1.00 0.00 H new ATOM 179 N VAL A 11 -19.257 69.897 24.676 1.00 0.00 N ATOM 180 CA VAL A 11 -19.624 69.867 26.124 1.00 0.00 C ATOM 181 C VAL A 11 -19.150 68.550 26.742 1.00 0.00 C ATOM 182 O VAL A 11 -18.588 68.527 27.822 1.00 0.00 O ATOM 183 CB VAL A 11 -21.147 69.978 26.262 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.535 70.031 27.744 1.00 0.00 C ATOM 185 CG2 VAL A 11 -21.626 71.254 25.563 1.00 0.00 C ATOM 0 H VAL A 11 -20.046 69.975 24.034 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.149 70.701 26.640 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.615 69.108 25.802 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.618 70.110 27.834 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.195 69.123 28.242 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.068 70.898 28.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.709 71.337 25.659 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.154 72.121 26.025 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.357 71.213 24.507 1.00 0.00 H new ATOM 195 N LEU A 12 -19.376 67.459 26.061 1.00 0.00 N ATOM 196 CA LEU A 12 -18.949 66.134 26.594 1.00 0.00 C ATOM 197 C LEU A 12 -17.425 66.091 26.714 1.00 0.00 C ATOM 198 O LEU A 12 -16.887 65.425 27.572 1.00 0.00 O ATOM 199 CB LEU A 12 -19.416 65.030 25.644 1.00 0.00 C ATOM 200 CG LEU A 12 -19.742 63.769 26.446 1.00 0.00 C ATOM 201 CD1 LEU A 12 -20.985 64.016 27.302 1.00 0.00 C ATOM 202 CD2 LEU A 12 -20.007 62.609 25.485 1.00 0.00 C ATOM 0 H LEU A 12 -19.841 67.429 25.153 1.00 0.00 H new ATOM 0 HA LEU A 12 -19.392 65.982 27.578 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.296 65.360 25.091 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -18.640 64.816 24.909 1.00 0.00 H new ATOM 0 HG LEU A 12 -18.900 63.521 27.092 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -21.218 63.118 27.874 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.797 64.843 27.987 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.828 64.264 26.657 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.239 61.710 26.055 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.849 62.857 24.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.121 62.433 24.875 1.00 0.00 H new ATOM 214 N ASN A 13 -16.727 66.790 25.857 1.00 0.00 N ATOM 215 CA ASN A 13 -15.234 66.781 25.916 1.00 0.00 C ATOM 216 C ASN A 13 -14.753 67.448 27.209 1.00 0.00 C ATOM 217 O ASN A 13 -13.711 67.113 27.737 1.00 0.00 O ATOM 218 CB ASN A 13 -14.676 67.544 24.713 1.00 0.00 C ATOM 219 CG ASN A 13 -13.155 67.385 24.667 1.00 0.00 C ATOM 220 OD1 ASN A 13 -12.426 68.305 24.981 1.00 0.00 O ATOM 221 ND2 ASN A 13 -12.641 66.248 24.285 1.00 0.00 N ATOM 0 H ASN A 13 -17.127 67.368 25.118 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.882 65.750 25.896 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.120 67.166 23.792 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.940 68.599 24.784 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.628 66.132 24.250 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.252 65.475 24.021 1.00 0.00 H new ATOM 228 N MET A 14 -15.496 68.401 27.710 1.00 0.00 N ATOM 229 CA MET A 14 -15.097 69.112 28.943 1.00 0.00 C ATOM 230 C MET A 14 -15.237 68.185 30.162 1.00 0.00 C ATOM 231 O MET A 14 -14.298 67.968 30.899 1.00 0.00 O ATOM 232 CB MET A 14 -16.025 70.326 29.111 1.00 0.00 C ATOM 233 CG MET A 14 -16.330 71.036 27.764 1.00 0.00 C ATOM 234 SD MET A 14 -14.851 71.183 26.710 1.00 0.00 S ATOM 235 CE MET A 14 -15.639 72.041 25.326 1.00 0.00 C ATOM 0 H MET A 14 -16.377 68.716 27.303 1.00 0.00 H new ATOM 0 HA MET A 14 -14.057 69.429 28.870 1.00 0.00 H new ATOM 0 HB2 MET A 14 -16.961 70.003 29.567 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.565 71.038 29.797 1.00 0.00 H new ATOM 0 HG2 MET A 14 -17.101 70.481 27.229 1.00 0.00 H new ATOM 0 HG3 MET A 14 -16.732 72.029 27.962 1.00 0.00 H new ATOM 0 HE1 MET A 14 -15.524 71.449 24.418 1.00 0.00 H new ATOM 0 HE2 MET A 14 -16.699 72.177 25.538 1.00 0.00 H new ATOM 0 HE3 MET A 14 -15.169 73.015 25.187 1.00 0.00 H new ATOM 245 N TRP A 15 -16.411 67.649 30.380 1.00 0.00 N ATOM 246 CA TRP A 15 -16.646 66.752 31.560 1.00 0.00 C ATOM 247 C TRP A 15 -15.717 65.539 31.535 1.00 0.00 C ATOM 248 O TRP A 15 -15.243 65.083 32.559 1.00 0.00 O ATOM 249 CB TRP A 15 -18.079 66.223 31.505 1.00 0.00 C ATOM 250 CG TRP A 15 -19.047 67.325 31.667 1.00 0.00 C ATOM 251 CD1 TRP A 15 -19.702 67.912 30.654 1.00 0.00 C ATOM 252 CD2 TRP A 15 -19.500 67.965 32.886 1.00 0.00 C ATOM 253 NE1 TRP A 15 -20.524 68.894 31.173 1.00 0.00 N ATOM 254 CE2 TRP A 15 -20.422 68.969 32.551 1.00 0.00 C ATOM 255 CE3 TRP A 15 -19.194 67.781 34.236 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -21.013 69.766 33.532 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -19.794 68.574 35.213 1.00 0.00 C ATOM 258 CH2 TRP A 15 -20.697 69.566 34.857 1.00 0.00 C ATOM 0 H TRP A 15 -17.227 67.794 29.786 1.00 0.00 H new ATOM 0 HA TRP A 15 -16.460 67.335 32.462 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.250 65.719 30.554 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -18.229 65.482 32.290 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -19.603 67.659 29.609 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -21.131 69.490 30.610 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.487 67.018 34.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -21.716 70.537 33.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -19.555 68.415 36.254 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -21.152 70.181 35.619 1.00 0.00 H new ATOM 269 N GLN A 16 -15.508 64.987 30.379 1.00 0.00 N ATOM 270 CA GLN A 16 -14.672 63.759 30.257 1.00 0.00 C ATOM 271 C GLN A 16 -13.197 64.037 30.576 1.00 0.00 C ATOM 272 O GLN A 16 -12.433 63.118 30.809 1.00 0.00 O ATOM 273 CB GLN A 16 -14.815 63.233 28.831 1.00 0.00 C ATOM 274 CG GLN A 16 -16.297 62.955 28.545 1.00 0.00 C ATOM 275 CD GLN A 16 -16.678 61.585 29.107 1.00 0.00 C ATOM 276 OE1 GLN A 16 -16.709 60.607 28.387 1.00 0.00 O ATOM 277 NE2 GLN A 16 -16.970 61.471 30.374 1.00 0.00 N ATOM 0 H GLN A 16 -15.885 65.337 29.498 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.016 63.019 30.979 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.425 63.962 28.120 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.230 62.322 28.706 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.917 63.730 28.996 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.482 62.984 27.471 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.944 62.292 30.979 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.224 60.561 30.759 1.00 0.00 H new ATOM 286 N GLN A 17 -12.785 65.278 30.584 1.00 0.00 N ATOM 287 CA GLN A 17 -11.353 65.591 30.882 1.00 0.00 C ATOM 288 C GLN A 17 -11.165 65.917 32.372 1.00 0.00 C ATOM 289 O GLN A 17 -10.206 66.565 32.749 1.00 0.00 O ATOM 290 CB GLN A 17 -10.924 66.791 30.039 1.00 0.00 C ATOM 291 CG GLN A 17 -11.034 66.430 28.558 1.00 0.00 C ATOM 292 CD GLN A 17 -11.030 67.708 27.718 1.00 0.00 C ATOM 293 OE1 GLN A 17 -11.757 68.638 28.002 1.00 0.00 O ATOM 294 NE2 GLN A 17 -10.236 67.792 26.685 1.00 0.00 N ATOM 0 H GLN A 17 -13.376 66.088 30.398 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.742 64.721 30.641 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.554 67.652 30.263 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.900 67.073 30.282 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.202 65.788 28.267 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.950 65.867 28.377 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.625 67.011 26.446 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.226 68.639 26.117 1.00 0.00 H new ATOM 303 N GLY A 18 -12.063 65.475 33.221 1.00 0.00 N ATOM 304 CA GLY A 18 -11.924 65.761 34.687 1.00 0.00 C ATOM 305 C GLY A 18 -12.241 67.236 34.958 1.00 0.00 C ATOM 306 O GLY A 18 -11.452 67.955 35.540 1.00 0.00 O ATOM 0 H GLY A 18 -12.885 64.929 32.963 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.599 65.123 35.257 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.912 65.530 35.018 1.00 0.00 H new ATOM 310 N LEU A 19 -13.388 67.686 34.527 1.00 0.00 N ATOM 311 CA LEU A 19 -13.785 69.114 34.730 1.00 0.00 C ATOM 312 C LEU A 19 -15.106 69.157 35.487 1.00 0.00 C ATOM 313 O LEU A 19 -15.596 68.144 35.953 1.00 0.00 O ATOM 314 CB LEU A 19 -14.002 69.765 33.369 1.00 0.00 C ATOM 315 CG LEU A 19 -12.698 70.128 32.662 1.00 0.00 C ATOM 316 CD1 LEU A 19 -11.810 68.900 32.514 1.00 0.00 C ATOM 317 CD2 LEU A 19 -13.063 70.652 31.273 1.00 0.00 C ATOM 0 H LEU A 19 -14.078 67.118 34.035 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.006 69.636 35.286 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.575 69.087 32.736 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.602 70.666 33.496 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.155 70.875 33.240 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.886 69.178 32.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.577 68.498 33.500 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.331 68.143 31.928 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.154 70.923 30.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.594 69.877 30.720 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.701 71.530 31.372 1.00 0.00 H new ATOM 329 N GLY A 20 -15.700 70.320 35.593 1.00 0.00 N ATOM 330 CA GLY A 20 -17.017 70.411 36.303 1.00 0.00 C ATOM 331 C GLY A 20 -17.562 71.853 36.375 1.00 0.00 C ATOM 332 O GLY A 20 -16.986 72.693 37.005 1.00 0.00 O ATOM 0 H GLY A 20 -15.338 71.200 35.225 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.743 69.778 35.793 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.907 70.019 37.314 1.00 0.00 H new ATOM 336 N ALA A 21 -18.697 72.098 35.741 1.00 0.00 N ATOM 337 CA ALA A 21 -19.400 73.446 35.753 1.00 0.00 C ATOM 338 C ALA A 21 -18.448 74.645 35.833 1.00 0.00 C ATOM 339 O ALA A 21 -18.202 75.290 34.840 1.00 0.00 O ATOM 340 CB ALA A 21 -20.376 73.504 36.929 1.00 0.00 C ATOM 0 H ALA A 21 -19.187 71.391 35.192 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.922 73.524 34.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.879 74.471 36.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -21.116 72.710 36.827 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.829 73.372 37.863 1.00 0.00 H new ATOM 346 N SER A 22 -17.931 74.966 37.007 1.00 0.00 N ATOM 347 CA SER A 22 -16.996 76.143 37.156 1.00 0.00 C ATOM 348 C SER A 22 -15.979 76.136 36.012 1.00 0.00 C ATOM 349 O SER A 22 -15.704 77.147 35.394 1.00 0.00 O ATOM 350 CB SER A 22 -16.259 76.042 38.493 1.00 0.00 C ATOM 351 OG SER A 22 -15.261 77.052 38.556 1.00 0.00 O ATOM 0 H SER A 22 -18.118 74.460 37.873 1.00 0.00 H new ATOM 0 HA SER A 22 -17.570 77.069 37.126 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.962 76.157 39.318 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.803 75.057 38.597 1.00 0.00 H new ATOM 0 HG SER A 22 -14.788 76.991 39.412 1.00 0.00 H new ATOM 357 N HIS A 23 -15.474 74.977 35.702 1.00 0.00 N ATOM 358 CA HIS A 23 -14.533 74.839 34.572 1.00 0.00 C ATOM 359 C HIS A 23 -15.348 74.435 33.336 1.00 0.00 C ATOM 360 O HIS A 23 -15.004 74.784 32.227 1.00 0.00 O ATOM 361 CB HIS A 23 -13.487 73.766 34.890 1.00 0.00 C ATOM 362 CG HIS A 23 -12.527 73.655 33.739 1.00 0.00 C ATOM 363 ND1 HIS A 23 -11.173 73.921 33.869 1.00 0.00 N ATOM 364 CD2 HIS A 23 -12.722 73.322 32.424 1.00 0.00 C ATOM 365 CE1 HIS A 23 -10.610 73.747 32.660 1.00 0.00 C ATOM 366 NE2 HIS A 23 -11.510 73.382 31.742 1.00 0.00 N ATOM 0 H HIS A 23 -15.680 74.108 36.195 1.00 0.00 H new ATOM 0 HA HIS A 23 -14.009 75.778 34.392 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.950 74.024 35.803 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.974 72.807 35.066 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.671 73.054 31.984 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.559 73.885 32.456 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.344 73.189 30.754 1.00 0.00 H new ATOM 374 N ILE A 24 -16.456 73.730 33.522 1.00 0.00 N ATOM 375 CA ILE A 24 -17.305 73.329 32.336 1.00 0.00 C ATOM 376 C ILE A 24 -18.124 74.527 31.821 1.00 0.00 C ATOM 377 O ILE A 24 -18.991 74.367 30.984 1.00 0.00 O ATOM 378 CB ILE A 24 -18.278 72.211 32.742 1.00 0.00 C ATOM 379 CG1 ILE A 24 -17.485 71.066 33.363 1.00 0.00 C ATOM 380 CG2 ILE A 24 -19.072 71.705 31.530 1.00 0.00 C ATOM 381 CD1 ILE A 24 -16.692 70.304 32.298 1.00 0.00 C ATOM 0 H ILE A 24 -16.803 73.420 34.430 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.638 72.980 31.547 1.00 0.00 H new ATOM 0 HB ILE A 24 -18.990 72.606 33.466 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.803 71.459 34.117 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -18.165 70.383 33.873 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -19.753 70.914 31.845 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.645 72.527 31.101 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -18.383 71.313 30.782 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.136 69.493 32.769 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.379 69.892 31.559 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.996 70.984 31.807 1.00 0.00 H new ATOM 393 N SER A 25 -17.873 75.713 32.315 1.00 0.00 N ATOM 394 CA SER A 25 -18.656 76.900 31.857 1.00 0.00 C ATOM 395 C SER A 25 -17.740 78.112 31.633 1.00 0.00 C ATOM 396 O SER A 25 -17.976 78.912 30.749 1.00 0.00 O ATOM 397 CB SER A 25 -19.704 77.249 32.914 1.00 0.00 C ATOM 398 OG SER A 25 -20.563 76.133 33.110 1.00 0.00 O ATOM 0 H SER A 25 -17.159 75.910 33.016 1.00 0.00 H new ATOM 0 HA SER A 25 -19.139 76.653 30.912 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.217 77.516 33.852 1.00 0.00 H new ATOM 0 HB3 SER A 25 -20.283 78.117 32.597 1.00 0.00 H new ATOM 0 HG SER A 25 -20.124 75.482 33.696 1.00 0.00 H new ATOM 404 N LYS A 26 -16.712 78.274 32.428 1.00 0.00 N ATOM 405 CA LYS A 26 -15.811 79.451 32.247 1.00 0.00 C ATOM 406 C LYS A 26 -14.697 79.119 31.251 1.00 0.00 C ATOM 407 O LYS A 26 -14.268 79.964 30.489 1.00 0.00 O ATOM 408 CB LYS A 26 -15.195 79.830 33.591 1.00 0.00 C ATOM 409 CG LYS A 26 -16.118 80.812 34.317 1.00 0.00 C ATOM 410 CD LYS A 26 -17.239 80.041 35.017 1.00 0.00 C ATOM 411 CE LYS A 26 -16.857 79.797 36.478 1.00 0.00 C ATOM 412 NZ LYS A 26 -18.060 79.356 37.240 1.00 0.00 N ATOM 0 H LYS A 26 -16.459 77.645 33.190 1.00 0.00 H new ATOM 0 HA LYS A 26 -16.394 80.286 31.859 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.045 78.938 34.199 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.214 80.281 33.439 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.550 81.390 35.046 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.540 81.523 33.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.171 80.604 34.963 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.411 79.091 34.512 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.077 79.038 36.539 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.450 80.709 36.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.764 78.773 38.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.577 80.190 37.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.679 78.797 36.618 1.00 0.00 H new ATOM 426 N THR A 27 -14.211 77.904 31.266 1.00 0.00 N ATOM 427 CA THR A 27 -13.106 77.522 30.338 1.00 0.00 C ATOM 428 C THR A 27 -13.655 76.950 29.022 1.00 0.00 C ATOM 429 O THR A 27 -13.015 77.047 27.992 1.00 0.00 O ATOM 430 CB THR A 27 -12.233 76.467 31.022 1.00 0.00 C ATOM 431 OG1 THR A 27 -11.821 76.949 32.294 1.00 0.00 O ATOM 432 CG2 THR A 27 -11.005 76.181 30.161 1.00 0.00 C ATOM 0 H THR A 27 -14.533 77.159 31.883 1.00 0.00 H new ATOM 0 HA THR A 27 -12.523 78.413 30.104 1.00 0.00 H new ATOM 0 HB THR A 27 -12.805 75.548 31.149 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.034 76.449 32.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.385 75.430 30.650 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.322 75.811 29.186 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.430 77.098 30.032 1.00 0.00 H new ATOM 440 N MET A 28 -14.814 76.338 29.047 1.00 0.00 N ATOM 441 CA MET A 28 -15.377 75.735 27.786 1.00 0.00 C ATOM 442 C MET A 28 -16.446 76.674 27.204 1.00 0.00 C ATOM 443 O MET A 28 -17.403 76.240 26.594 1.00 0.00 O ATOM 444 CB MET A 28 -15.988 74.319 28.038 1.00 0.00 C ATOM 445 CG MET A 28 -15.526 73.705 29.378 1.00 0.00 C ATOM 446 SD MET A 28 -13.830 73.008 29.313 1.00 0.00 S ATOM 447 CE MET A 28 -13.141 73.769 27.814 1.00 0.00 C ATOM 0 H MET A 28 -15.395 76.227 29.878 1.00 0.00 H new ATOM 0 HA MET A 28 -14.559 75.615 27.075 1.00 0.00 H new ATOM 0 HB2 MET A 28 -17.076 74.390 28.030 1.00 0.00 H new ATOM 0 HB3 MET A 28 -15.706 73.655 27.221 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.567 74.470 30.153 1.00 0.00 H new ATOM 0 HG3 MET A 28 -16.223 72.919 29.669 1.00 0.00 H new ATOM 0 HE1 MET A 28 -12.278 73.194 27.478 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.898 73.779 27.030 1.00 0.00 H new ATOM 0 HE3 MET A 28 -12.832 74.791 28.034 1.00 0.00 H new ATOM 457 N ASN A 29 -16.242 77.966 27.361 1.00 0.00 N ATOM 458 CA ASN A 29 -17.165 79.016 26.815 1.00 0.00 C ATOM 459 C ASN A 29 -18.655 78.606 26.810 1.00 0.00 C ATOM 460 O ASN A 29 -19.298 78.607 25.779 1.00 0.00 O ATOM 461 CB ASN A 29 -16.684 79.345 25.406 1.00 0.00 C ATOM 462 CG ASN A 29 -16.933 78.161 24.463 1.00 0.00 C ATOM 463 OD1 ASN A 29 -16.228 77.173 24.511 1.00 0.00 O ATOM 464 ND2 ASN A 29 -17.912 78.223 23.602 1.00 0.00 N ATOM 0 H ASN A 29 -15.441 78.347 27.865 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.126 79.887 27.470 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -17.204 80.228 25.035 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.621 79.585 25.425 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.085 77.442 22.969 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.504 79.053 23.562 1.00 0.00 H new ATOM 471 N ILE A 30 -19.201 78.289 27.957 1.00 0.00 N ATOM 472 CA ILE A 30 -20.649 77.905 28.039 1.00 0.00 C ATOM 473 C ILE A 30 -21.147 78.129 29.476 1.00 0.00 C ATOM 474 O ILE A 30 -20.373 78.423 30.364 1.00 0.00 O ATOM 475 CB ILE A 30 -20.820 76.426 27.660 1.00 0.00 C ATOM 476 CG1 ILE A 30 -19.800 75.579 28.446 1.00 0.00 C ATOM 477 CG2 ILE A 30 -20.604 76.260 26.150 1.00 0.00 C ATOM 478 CD1 ILE A 30 -19.825 74.116 27.977 1.00 0.00 C ATOM 0 H ILE A 30 -18.704 78.279 28.848 1.00 0.00 H new ATOM 0 HA ILE A 30 -21.228 78.518 27.347 1.00 0.00 H new ATOM 0 HB ILE A 30 -21.826 76.090 27.910 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -18.800 75.991 28.313 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -20.025 75.627 29.511 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -20.725 75.211 25.878 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -21.335 76.861 25.610 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -19.599 76.589 25.888 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.097 73.539 28.547 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -20.820 73.700 28.134 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -19.576 74.069 26.917 1.00 0.00 H new ATOM 490 N ALA A 31 -22.429 77.986 29.711 1.00 0.00 N ATOM 491 CA ALA A 31 -22.972 78.178 31.096 1.00 0.00 C ATOM 492 C ALA A 31 -23.094 76.804 31.756 1.00 0.00 C ATOM 493 O ALA A 31 -23.163 75.809 31.074 1.00 0.00 O ATOM 494 CB ALA A 31 -24.351 78.838 31.022 1.00 0.00 C ATOM 0 H ALA A 31 -23.124 77.745 29.005 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.307 78.818 31.676 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.743 78.976 32.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.265 79.807 30.530 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -25.029 78.202 30.453 1.00 0.00 H new ATOM 500 N ARG A 32 -23.090 76.723 33.067 1.00 0.00 N ATOM 501 CA ARG A 32 -23.175 75.389 33.724 1.00 0.00 C ATOM 502 C ARG A 32 -24.613 74.847 33.716 1.00 0.00 C ATOM 503 O ARG A 32 -24.834 73.692 33.404 1.00 0.00 O ATOM 504 CB ARG A 32 -22.643 75.503 35.158 1.00 0.00 C ATOM 505 CG ARG A 32 -23.578 76.363 36.018 1.00 0.00 C ATOM 506 CD ARG A 32 -22.955 76.558 37.400 1.00 0.00 C ATOM 507 NE ARG A 32 -22.152 77.820 37.412 1.00 0.00 N ATOM 508 CZ ARG A 32 -21.747 78.367 38.542 1.00 0.00 C ATOM 509 NH1 ARG A 32 -22.030 77.830 39.707 1.00 0.00 N ATOM 510 NH2 ARG A 32 -21.048 79.468 38.501 1.00 0.00 N ATOM 0 H ARG A 32 -23.032 77.519 33.702 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.565 74.681 33.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -22.549 74.509 35.596 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -21.645 75.942 35.147 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.743 77.329 35.541 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -24.552 75.882 36.110 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.736 76.604 38.159 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.319 75.708 37.647 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.912 78.267 36.527 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.575 76.969 39.753 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.704 78.274 40.566 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.821 79.895 37.603 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.728 79.902 39.367 1.00 0.00 H new ATOM 524 N SER A 33 -25.587 75.654 34.059 1.00 0.00 N ATOM 525 CA SER A 33 -26.999 75.158 34.070 1.00 0.00 C ATOM 526 C SER A 33 -27.406 74.783 32.640 1.00 0.00 C ATOM 527 O SER A 33 -28.027 73.763 32.401 1.00 0.00 O ATOM 528 CB SER A 33 -27.926 76.253 34.598 1.00 0.00 C ATOM 529 OG SER A 33 -27.220 77.050 35.541 1.00 0.00 O ATOM 0 H SER A 33 -25.467 76.630 34.331 1.00 0.00 H new ATOM 0 HA SER A 33 -27.077 74.284 34.717 1.00 0.00 H new ATOM 0 HB2 SER A 33 -28.282 76.872 33.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -28.804 75.808 35.065 1.00 0.00 H new ATOM 0 HG SER A 33 -27.810 77.755 35.881 1.00 0.00 H new ATOM 535 N THR A 34 -27.037 75.601 31.689 1.00 0.00 N ATOM 536 CA THR A 34 -27.361 75.316 30.259 1.00 0.00 C ATOM 537 C THR A 34 -26.640 74.030 29.852 1.00 0.00 C ATOM 538 O THR A 34 -27.190 73.138 29.216 1.00 0.00 O ATOM 539 CB THR A 34 -26.832 76.475 29.413 1.00 0.00 C ATOM 540 OG1 THR A 34 -27.429 77.687 29.852 1.00 0.00 O ATOM 541 CG2 THR A 34 -27.165 76.244 27.936 1.00 0.00 C ATOM 0 H THR A 34 -26.518 76.465 31.844 1.00 0.00 H new ATOM 0 HA THR A 34 -28.436 75.204 30.116 1.00 0.00 H new ATOM 0 HB THR A 34 -25.750 76.536 29.525 1.00 0.00 H new ATOM 0 HG1 THR A 34 -27.091 78.432 29.313 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.784 77.075 27.343 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.703 75.316 27.600 1.00 0.00 H new ATOM 0 HG23 THR A 34 -28.246 76.176 27.813 1.00 0.00 H new ATOM 549 N VAL A 35 -25.401 73.943 30.233 1.00 0.00 N ATOM 550 CA VAL A 35 -24.588 72.750 29.917 1.00 0.00 C ATOM 551 C VAL A 35 -25.208 71.532 30.618 1.00 0.00 C ATOM 552 O VAL A 35 -24.990 70.420 30.204 1.00 0.00 O ATOM 553 CB VAL A 35 -23.140 73.039 30.370 1.00 0.00 C ATOM 554 CG1 VAL A 35 -22.305 71.761 30.539 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.491 73.918 29.306 1.00 0.00 C ATOM 0 H VAL A 35 -24.911 74.665 30.761 1.00 0.00 H new ATOM 0 HA VAL A 35 -24.570 72.527 28.850 1.00 0.00 H new ATOM 0 HB VAL A 35 -23.175 73.528 31.343 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -21.297 72.025 30.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -22.768 71.121 31.290 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -22.257 71.229 29.589 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -21.464 74.142 29.596 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.493 73.394 28.350 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -23.052 74.848 29.211 1.00 0.00 H new ATOM 565 N TYR A 36 -25.994 71.732 31.656 1.00 0.00 N ATOM 566 CA TYR A 36 -26.631 70.562 32.341 1.00 0.00 C ATOM 567 C TYR A 36 -27.833 70.088 31.553 1.00 0.00 C ATOM 568 O TYR A 36 -28.177 68.926 31.601 1.00 0.00 O ATOM 569 CB TYR A 36 -27.003 70.886 33.792 1.00 0.00 C ATOM 570 CG TYR A 36 -25.830 70.560 34.701 1.00 0.00 C ATOM 571 CD1 TYR A 36 -25.078 69.380 34.522 1.00 0.00 C ATOM 572 CD2 TYR A 36 -25.482 71.455 35.709 1.00 0.00 C ATOM 573 CE1 TYR A 36 -23.993 69.102 35.346 1.00 0.00 C ATOM 574 CE2 TYR A 36 -24.396 71.181 36.545 1.00 0.00 C ATOM 575 CZ TYR A 36 -23.648 70.003 36.367 1.00 0.00 C ATOM 576 OH TYR A 36 -22.582 69.731 37.201 1.00 0.00 O ATOM 0 H TYR A 36 -26.218 72.645 32.052 1.00 0.00 H new ATOM 0 HA TYR A 36 -25.902 69.753 32.378 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -27.266 71.940 33.884 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -27.879 70.311 34.091 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -25.347 68.687 33.739 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -26.052 72.362 35.845 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -23.419 68.199 35.202 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -24.131 71.875 37.329 1.00 0.00 H new ATOM 0 HH TYR A 36 -21.880 69.271 36.695 1.00 0.00 H new ATOM 586 N LYS A 37 -28.436 70.941 30.769 1.00 0.00 N ATOM 587 CA LYS A 37 -29.556 70.482 29.910 1.00 0.00 C ATOM 588 C LYS A 37 -28.971 69.427 28.957 1.00 0.00 C ATOM 589 O LYS A 37 -29.589 68.431 28.632 1.00 0.00 O ATOM 590 CB LYS A 37 -30.079 71.661 29.098 1.00 0.00 C ATOM 591 CG LYS A 37 -30.648 72.723 30.041 1.00 0.00 C ATOM 592 CD LYS A 37 -30.701 74.071 29.319 1.00 0.00 C ATOM 593 CE LYS A 37 -31.706 73.994 28.169 1.00 0.00 C ATOM 594 NZ LYS A 37 -32.300 75.340 27.937 1.00 0.00 N ATOM 0 H LYS A 37 -28.200 71.930 30.689 1.00 0.00 H new ATOM 0 HA LYS A 37 -30.374 70.072 30.503 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -29.275 72.087 28.497 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -30.850 71.325 28.405 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -31.647 72.435 30.370 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -30.028 72.801 30.934 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -30.989 74.858 30.016 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -29.714 74.330 28.937 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -31.212 73.642 27.263 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -32.490 73.275 28.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -32.984 75.288 27.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -32.785 75.659 28.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -31.547 76.015 27.694 1.00 0.00 H new ATOM 608 N VAL A 38 -27.756 69.669 28.525 1.00 0.00 N ATOM 609 CA VAL A 38 -27.046 68.740 27.604 1.00 0.00 C ATOM 610 C VAL A 38 -26.575 67.463 28.355 1.00 0.00 C ATOM 611 O VAL A 38 -26.844 66.351 27.945 1.00 0.00 O ATOM 612 CB VAL A 38 -25.843 69.532 27.029 1.00 0.00 C ATOM 613 CG1 VAL A 38 -24.649 68.630 26.671 1.00 0.00 C ATOM 614 CG2 VAL A 38 -26.303 70.279 25.780 1.00 0.00 C ATOM 0 H VAL A 38 -27.217 70.496 28.783 1.00 0.00 H new ATOM 0 HA VAL A 38 -27.704 68.398 26.805 1.00 0.00 H new ATOM 0 HB VAL A 38 -25.501 70.221 27.801 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.838 69.240 26.274 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -24.306 68.108 27.565 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -24.956 67.901 25.921 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -25.467 70.841 25.364 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -26.663 69.564 25.040 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -27.107 70.966 26.043 1.00 0.00 H new ATOM 624 N ILE A 39 -25.844 67.637 29.423 1.00 0.00 N ATOM 625 CA ILE A 39 -25.293 66.484 30.211 1.00 0.00 C ATOM 626 C ILE A 39 -26.420 65.533 30.606 1.00 0.00 C ATOM 627 O ILE A 39 -26.234 64.336 30.715 1.00 0.00 O ATOM 628 CB ILE A 39 -24.594 67.040 31.451 1.00 0.00 C ATOM 629 CG1 ILE A 39 -23.523 68.024 31.019 1.00 0.00 C ATOM 630 CG2 ILE A 39 -23.909 65.946 32.269 1.00 0.00 C ATOM 631 CD1 ILE A 39 -23.398 69.096 32.066 1.00 0.00 C ATOM 0 H ILE A 39 -25.597 68.554 29.796 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.578 65.923 29.609 1.00 0.00 H new ATOM 0 HB ILE A 39 -25.359 67.513 32.067 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.570 67.511 30.889 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -23.782 68.465 30.056 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -23.427 66.391 33.139 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.651 65.219 32.598 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.160 65.447 31.654 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -22.631 69.810 31.766 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.352 69.613 32.173 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -23.121 68.644 33.018 1.00 0.00 H new ATOM 643 N ASN A 40 -27.589 66.069 30.795 1.00 0.00 N ATOM 644 CA ASN A 40 -28.762 65.230 31.156 1.00 0.00 C ATOM 645 C ASN A 40 -29.191 64.437 29.924 1.00 0.00 C ATOM 646 O ASN A 40 -29.527 63.270 30.008 1.00 0.00 O ATOM 647 CB ASN A 40 -29.912 66.135 31.593 1.00 0.00 C ATOM 648 CG ASN A 40 -31.007 65.293 32.249 1.00 0.00 C ATOM 649 OD1 ASN A 40 -30.824 64.776 33.333 1.00 0.00 O ATOM 650 ND2 ASN A 40 -32.147 65.133 31.635 1.00 0.00 N ATOM 0 H ASN A 40 -27.785 67.067 30.714 1.00 0.00 H new ATOM 0 HA ASN A 40 -28.501 64.552 31.968 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -29.550 66.888 32.293 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -30.316 66.668 30.732 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -32.884 64.574 32.065 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -32.301 65.567 30.725 1.00 0.00 H new ATOM 657 N GLU A 41 -29.181 65.071 28.778 1.00 0.00 N ATOM 658 CA GLU A 41 -29.584 64.372 27.525 1.00 0.00 C ATOM 659 C GLU A 41 -28.340 63.849 26.797 1.00 0.00 C ATOM 660 O GLU A 41 -28.366 63.619 25.602 1.00 0.00 O ATOM 661 CB GLU A 41 -30.324 65.357 26.622 1.00 0.00 C ATOM 662 CG GLU A 41 -31.577 65.862 27.339 1.00 0.00 C ATOM 663 CD GLU A 41 -32.240 66.957 26.501 1.00 0.00 C ATOM 664 OE1 GLU A 41 -32.963 66.614 25.580 1.00 0.00 O ATOM 665 OE2 GLU A 41 -32.012 68.119 26.794 1.00 0.00 O ATOM 0 H GLU A 41 -28.909 66.047 28.659 1.00 0.00 H new ATOM 0 HA GLU A 41 -30.234 63.532 27.770 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -29.674 66.195 26.369 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -30.598 64.873 25.685 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -32.274 65.039 27.498 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -31.314 66.251 28.322 1.00 0.00 H new ATOM 672 N SER A 42 -27.253 63.659 27.505 1.00 0.00 N ATOM 673 CA SER A 42 -26.009 63.151 26.855 1.00 0.00 C ATOM 674 C SER A 42 -25.618 61.811 27.482 1.00 0.00 C ATOM 675 O SER A 42 -25.186 60.901 26.799 1.00 0.00 O ATOM 676 CB SER A 42 -24.879 64.159 27.061 1.00 0.00 C ATOM 677 OG SER A 42 -23.735 63.739 26.328 1.00 0.00 O ATOM 0 H SER A 42 -27.176 63.835 28.507 1.00 0.00 H new ATOM 0 HA SER A 42 -26.185 63.016 25.788 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.194 65.149 26.730 1.00 0.00 H new ATOM 0 HB3 SER A 42 -24.637 64.240 28.121 1.00 0.00 H new ATOM 0 HG SER A 42 -23.590 64.345 25.572 1.00 0.00 H new