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 22 SER OG : rot 180:sc=0.000271 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -120:sc= -0.512 (180deg=-0.946) USER MOD Single : A 13 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.14) USER MOD Single : A 14 MET CE :methyl -121:sc= -4.7! (180deg=-13.7!) USER MOD Single : A 16 GLN : amide:sc= -0.405 K(o=-0.4,f=-1) USER MOD Single : A 17 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.4!) USER MOD Single : A 23 HIS : no HD1:sc= -4.44 K(o=-4.4,f=-1) USER MOD Single : A 25 SER OG : rot 78:sc= 1.2 USER MOD Single : A 27 THR OG1 : rot -110:sc= -0.153 USER MOD Single : A 28 MET CE :methyl -118:sc= -1.67 (180deg=-4.03!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -1.58 USER MOD Single : A 34 THR OG1 : rot 172:sc= -1.09 USER MOD Single : A 36 TYR OH : rot 13:sc= -0.127 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N ARG A 8 -16.799 65.993 29.318 1.00 0.00 N ATOM 134 CA ARG A 8 -16.871 65.532 27.909 1.00 0.00 C ATOM 135 C ARG A 8 -18.241 64.904 27.647 1.00 0.00 C ATOM 136 O ARG A 8 -18.987 65.351 26.795 1.00 0.00 O ATOM 137 CB ARG A 8 -15.775 64.495 27.653 1.00 0.00 C ATOM 138 CG ARG A 8 -14.534 65.190 27.090 1.00 0.00 C ATOM 139 CD ARG A 8 -13.573 64.143 26.524 1.00 0.00 C ATOM 140 NE ARG A 8 -12.304 64.811 26.097 1.00 0.00 N ATOM 141 CZ ARG A 8 -11.214 64.115 25.840 1.00 0.00 C ATOM 142 NH1 ARG A 8 -11.192 62.806 25.945 1.00 0.00 N ATOM 143 NH2 ARG A 8 -10.130 64.742 25.471 1.00 0.00 N ATOM 0 HA ARG A 8 -16.728 66.382 27.242 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.526 63.978 28.580 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.131 63.740 26.952 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.822 65.894 26.309 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.041 65.766 27.873 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.361 63.383 27.276 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.031 63.633 25.677 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.282 65.826 26.003 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.032 62.303 26.231 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.335 62.292 25.740 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.133 65.758 25.385 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.280 64.216 25.269 1.00 0.00 H new ATOM 157 N ASP A 9 -18.574 63.869 28.376 1.00 0.00 N ATOM 158 CA ASP A 9 -19.893 63.199 28.181 1.00 0.00 C ATOM 159 C ASP A 9 -21.028 64.167 28.535 1.00 0.00 C ATOM 160 O ASP A 9 -22.138 64.028 28.059 1.00 0.00 O ATOM 161 CB ASP A 9 -19.976 61.969 29.087 1.00 0.00 C ATOM 162 CG ASP A 9 -21.037 61.008 28.548 1.00 0.00 C ATOM 163 OD1 ASP A 9 -21.015 60.740 27.358 1.00 0.00 O ATOM 164 OD2 ASP A 9 -21.854 60.558 29.334 1.00 0.00 O ATOM 0 H ASP A 9 -17.985 63.458 29.101 1.00 0.00 H new ATOM 0 HA ASP A 9 -19.991 62.897 27.138 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -19.008 61.471 29.131 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.226 62.270 30.104 1.00 0.00 H new ATOM 169 N ALA A 10 -20.760 65.144 29.368 1.00 0.00 N ATOM 170 CA ALA A 10 -21.824 66.118 29.756 1.00 0.00 C ATOM 171 C ALA A 10 -22.310 66.874 28.515 1.00 0.00 C ATOM 172 O ALA A 10 -23.495 66.938 28.243 1.00 0.00 O ATOM 173 CB ALA A 10 -21.256 67.115 30.768 1.00 0.00 C ATOM 0 H ALA A 10 -19.848 65.308 29.795 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.661 65.580 30.202 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -22.031 67.827 31.052 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.913 66.579 31.653 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.419 67.650 30.321 1.00 0.00 H new ATOM 179 N VAL A 11 -21.402 67.446 27.763 1.00 0.00 N ATOM 180 CA VAL A 11 -21.804 68.202 26.537 1.00 0.00 C ATOM 181 C VAL A 11 -22.521 67.264 25.569 1.00 0.00 C ATOM 182 O VAL A 11 -23.440 67.657 24.876 1.00 0.00 O ATOM 183 CB VAL A 11 -20.565 68.774 25.852 1.00 0.00 C ATOM 184 CG1 VAL A 11 -20.995 69.699 24.708 1.00 0.00 C ATOM 185 CG2 VAL A 11 -19.736 69.566 26.866 1.00 0.00 C ATOM 0 H VAL A 11 -20.399 67.422 27.946 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.470 69.015 26.824 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.963 67.958 25.453 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.111 70.108 24.219 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.582 69.134 23.984 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.599 70.514 25.107 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.852 69.973 26.375 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.336 70.382 27.268 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.428 68.907 27.678 1.00 0.00 H new ATOM 195 N LEU A 12 -22.107 66.024 25.522 1.00 0.00 N ATOM 196 CA LEU A 12 -22.759 65.046 24.606 1.00 0.00 C ATOM 197 C LEU A 12 -24.235 64.906 24.991 1.00 0.00 C ATOM 198 O LEU A 12 -25.098 64.812 24.147 1.00 0.00 O ATOM 199 CB LEU A 12 -22.054 63.688 24.733 1.00 0.00 C ATOM 200 CG LEU A 12 -21.837 63.075 23.339 1.00 0.00 C ATOM 201 CD1 LEU A 12 -20.401 62.555 23.221 1.00 0.00 C ATOM 202 CD2 LEU A 12 -22.812 61.912 23.129 1.00 0.00 C ATOM 0 H LEU A 12 -21.342 65.647 26.082 1.00 0.00 H new ATOM 0 HA LEU A 12 -22.686 65.393 23.575 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.096 63.812 25.238 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.652 63.014 25.346 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.012 63.840 22.583 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.251 62.121 22.232 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.703 63.379 23.366 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.226 61.794 23.981 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.656 61.480 22.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.639 61.150 23.889 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -23.836 62.277 23.208 1.00 0.00 H new ATOM 214 N ASN A 13 -24.525 64.905 26.264 1.00 0.00 N ATOM 215 CA ASN A 13 -25.943 64.776 26.713 1.00 0.00 C ATOM 216 C ASN A 13 -26.737 66.022 26.305 1.00 0.00 C ATOM 217 O ASN A 13 -27.939 65.975 26.140 1.00 0.00 O ATOM 218 CB ASN A 13 -25.979 64.628 28.236 1.00 0.00 C ATOM 219 CG ASN A 13 -25.314 63.311 28.639 1.00 0.00 C ATOM 220 OD1 ASN A 13 -24.469 63.287 29.512 1.00 0.00 O ATOM 221 ND2 ASN A 13 -25.661 62.206 28.037 1.00 0.00 N ATOM 0 H ASN A 13 -23.840 64.988 27.015 1.00 0.00 H new ATOM 0 HA ASN A 13 -26.389 63.899 26.245 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -25.463 65.466 28.705 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -27.010 64.650 28.589 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -25.223 61.323 28.299 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -26.370 62.226 27.304 1.00 0.00 H new ATOM 228 N MET A 14 -26.074 67.138 26.158 1.00 0.00 N ATOM 229 CA MET A 14 -26.761 68.393 25.786 1.00 0.00 C ATOM 230 C MET A 14 -27.317 68.318 24.351 1.00 0.00 C ATOM 231 O MET A 14 -28.511 68.341 24.133 1.00 0.00 O ATOM 232 CB MET A 14 -25.724 69.519 25.886 1.00 0.00 C ATOM 233 CG MET A 14 -26.029 70.417 27.088 1.00 0.00 C ATOM 234 SD MET A 14 -24.965 71.883 27.033 1.00 0.00 S ATOM 235 CE MET A 14 -23.450 71.109 27.645 1.00 0.00 C ATOM 0 H MET A 14 -25.066 67.227 26.284 1.00 0.00 H new ATOM 0 HA MET A 14 -27.606 68.570 26.452 1.00 0.00 H new ATOM 0 HB2 MET A 14 -24.725 69.095 25.985 1.00 0.00 H new ATOM 0 HB3 MET A 14 -25.730 70.111 24.971 1.00 0.00 H new ATOM 0 HG2 MET A 14 -27.077 70.715 27.076 1.00 0.00 H new ATOM 0 HG3 MET A 14 -25.864 69.869 28.016 1.00 0.00 H new ATOM 0 HE1 MET A 14 -23.124 71.615 28.553 1.00 0.00 H new ATOM 0 HE2 MET A 14 -23.641 70.058 27.864 1.00 0.00 H new ATOM 0 HE3 MET A 14 -22.670 71.186 26.887 1.00 0.00 H new ATOM 245 N TRP A 15 -26.456 68.261 23.375 1.00 0.00 N ATOM 246 CA TRP A 15 -26.924 68.235 21.947 1.00 0.00 C ATOM 247 C TRP A 15 -27.686 66.957 21.617 1.00 0.00 C ATOM 248 O TRP A 15 -28.655 66.977 20.880 1.00 0.00 O ATOM 249 CB TRP A 15 -25.718 68.298 21.025 1.00 0.00 C ATOM 250 CG TRP A 15 -24.979 69.555 21.256 1.00 0.00 C ATOM 251 CD1 TRP A 15 -23.936 69.677 22.082 1.00 0.00 C ATOM 252 CD2 TRP A 15 -25.202 70.860 20.670 1.00 0.00 C ATOM 253 NE1 TRP A 15 -23.493 70.983 22.039 1.00 0.00 N ATOM 254 CE2 TRP A 15 -24.262 71.756 21.189 1.00 0.00 C ATOM 255 CE3 TRP A 15 -26.126 71.344 19.749 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -24.256 73.097 20.803 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -26.118 72.676 19.356 1.00 0.00 C ATOM 258 CH2 TRP A 15 -25.187 73.552 19.888 1.00 0.00 C ATOM 0 H TRP A 15 -25.444 68.231 23.497 1.00 0.00 H new ATOM 0 HA TRP A 15 -27.587 69.089 21.808 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -25.066 67.443 21.205 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -26.040 68.240 19.985 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -23.511 68.886 22.682 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -22.696 71.335 22.569 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -26.862 70.672 19.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -23.527 73.777 21.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -26.839 73.029 18.634 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -25.188 74.590 19.588 1.00 0.00 H new ATOM 269 N GLN A 16 -27.231 65.848 22.114 1.00 0.00 N ATOM 270 CA GLN A 16 -27.889 64.552 21.797 1.00 0.00 C ATOM 271 C GLN A 16 -29.356 64.563 22.241 1.00 0.00 C ATOM 272 O GLN A 16 -30.161 63.797 21.744 1.00 0.00 O ATOM 273 CB GLN A 16 -27.109 63.440 22.485 1.00 0.00 C ATOM 274 CG GLN A 16 -25.681 63.433 21.924 1.00 0.00 C ATOM 275 CD GLN A 16 -25.702 62.920 20.483 1.00 0.00 C ATOM 276 OE1 GLN A 16 -25.941 63.674 19.560 1.00 0.00 O ATOM 277 NE2 GLN A 16 -25.460 61.659 20.248 1.00 0.00 N ATOM 0 H GLN A 16 -26.423 65.780 22.733 1.00 0.00 H new ATOM 0 HA GLN A 16 -27.886 64.385 20.720 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -27.092 63.599 23.563 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -27.589 62.477 22.312 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -25.261 64.438 21.957 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -25.041 62.799 22.538 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -25.259 61.025 21.022 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -25.472 61.307 19.291 1.00 0.00 H new ATOM 286 N GLN A 17 -29.716 65.432 23.153 1.00 0.00 N ATOM 287 CA GLN A 17 -31.139 65.498 23.603 1.00 0.00 C ATOM 288 C GLN A 17 -31.918 66.479 22.717 1.00 0.00 C ATOM 289 O GLN A 17 -33.116 66.354 22.546 1.00 0.00 O ATOM 290 CB GLN A 17 -31.193 65.966 25.056 1.00 0.00 C ATOM 291 CG GLN A 17 -30.544 64.908 25.945 1.00 0.00 C ATOM 292 CD GLN A 17 -30.340 65.473 27.352 1.00 0.00 C ATOM 293 OE1 GLN A 17 -29.965 66.618 27.511 1.00 0.00 O ATOM 294 NE2 GLN A 17 -30.574 64.714 28.386 1.00 0.00 N ATOM 0 H GLN A 17 -29.087 66.097 23.604 1.00 0.00 H new ATOM 0 HA GLN A 17 -31.589 64.508 23.523 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -30.674 66.918 25.164 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -32.227 66.130 25.360 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -31.173 64.019 25.987 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -29.587 64.602 25.523 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -30.889 63.753 28.252 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -30.442 65.081 29.328 1.00 0.00 H new ATOM 303 N GLY A 18 -31.246 67.455 22.154 1.00 0.00 N ATOM 304 CA GLY A 18 -31.942 68.449 21.279 1.00 0.00 C ATOM 305 C GLY A 18 -31.946 69.814 21.971 1.00 0.00 C ATOM 306 O GLY A 18 -32.975 70.297 22.405 1.00 0.00 O ATOM 0 H GLY A 18 -30.243 67.606 22.264 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -31.438 68.518 20.315 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -32.964 68.125 21.082 1.00 0.00 H new ATOM 310 N LEU A 19 -30.796 70.426 22.093 1.00 0.00 N ATOM 311 CA LEU A 19 -30.707 71.752 22.776 1.00 0.00 C ATOM 312 C LEU A 19 -30.134 72.800 21.814 1.00 0.00 C ATOM 313 O LEU A 19 -29.541 72.471 20.805 1.00 0.00 O ATOM 314 CB LEU A 19 -29.777 71.618 23.996 1.00 0.00 C ATOM 315 CG LEU A 19 -30.484 71.145 25.313 1.00 0.00 C ATOM 316 CD1 LEU A 19 -31.953 70.733 25.117 1.00 0.00 C ATOM 317 CD2 LEU A 19 -29.717 69.951 25.895 1.00 0.00 C ATOM 0 H LEU A 19 -29.909 70.061 21.746 1.00 0.00 H new ATOM 0 HA LEU A 19 -31.701 72.067 23.092 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -28.982 70.913 23.754 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -29.302 72.582 24.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -30.479 72.000 25.989 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -32.373 70.418 26.072 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -32.520 71.581 24.733 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -32.008 69.908 24.407 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -30.204 69.617 26.811 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -29.709 69.136 25.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -28.692 70.250 26.117 1.00 0.00 H new ATOM 329 N GLY A 20 -30.314 74.063 22.127 1.00 0.00 N ATOM 330 CA GLY A 20 -29.785 75.146 21.234 1.00 0.00 C ATOM 331 C GLY A 20 -29.106 76.271 22.046 1.00 0.00 C ATOM 332 O GLY A 20 -29.731 76.925 22.851 1.00 0.00 O ATOM 0 H GLY A 20 -30.803 74.390 22.960 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -29.069 74.721 20.531 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -30.601 75.564 20.645 1.00 0.00 H new ATOM 336 N ALA A 21 -27.823 76.484 21.805 1.00 0.00 N ATOM 337 CA ALA A 21 -27.003 77.553 22.487 1.00 0.00 C ATOM 338 C ALA A 21 -27.453 77.866 23.931 1.00 0.00 C ATOM 339 O ALA A 21 -26.904 77.341 24.882 1.00 0.00 O ATOM 340 CB ALA A 21 -27.054 78.829 21.642 1.00 0.00 C ATOM 0 H ALA A 21 -27.289 75.934 21.132 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.986 77.169 22.567 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.465 79.609 22.125 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.646 78.626 20.652 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -28.088 79.161 21.547 1.00 0.00 H new ATOM 346 N SER A 22 -28.418 78.732 24.097 1.00 0.00 N ATOM 347 CA SER A 22 -28.875 79.105 25.471 1.00 0.00 C ATOM 348 C SER A 22 -29.558 77.918 26.150 1.00 0.00 C ATOM 349 O SER A 22 -29.217 77.545 27.257 1.00 0.00 O ATOM 350 CB SER A 22 -29.863 80.268 25.377 1.00 0.00 C ATOM 351 OG SER A 22 -29.829 81.012 26.587 1.00 0.00 O ATOM 0 H SER A 22 -28.912 79.200 23.337 1.00 0.00 H new ATOM 0 HA SER A 22 -28.007 79.397 26.062 1.00 0.00 H new ATOM 0 HB2 SER A 22 -29.607 80.910 24.534 1.00 0.00 H new ATOM 0 HB3 SER A 22 -30.870 79.891 25.196 1.00 0.00 H new ATOM 0 HG SER A 22 -30.460 81.759 26.529 1.00 0.00 H new ATOM 357 N HIS A 23 -30.531 77.338 25.503 1.00 0.00 N ATOM 358 CA HIS A 23 -31.264 76.188 26.102 1.00 0.00 C ATOM 359 C HIS A 23 -30.297 75.033 26.410 1.00 0.00 C ATOM 360 O HIS A 23 -30.542 74.239 27.302 1.00 0.00 O ATOM 361 CB HIS A 23 -32.345 75.726 25.123 1.00 0.00 C ATOM 362 CG HIS A 23 -33.236 74.729 25.800 1.00 0.00 C ATOM 363 ND1 HIS A 23 -34.571 74.983 26.068 1.00 0.00 N ATOM 364 CD2 HIS A 23 -32.991 73.470 26.271 1.00 0.00 C ATOM 365 CE1 HIS A 23 -35.075 73.894 26.678 1.00 0.00 C ATOM 366 NE2 HIS A 23 -34.152 72.940 26.827 1.00 0.00 N ATOM 0 H HIS A 23 -30.852 77.615 24.575 1.00 0.00 H new ATOM 0 HA HIS A 23 -31.725 76.501 27.039 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -32.930 76.580 24.781 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -31.886 75.280 24.241 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -32.039 72.962 26.220 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -36.100 73.803 27.007 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -34.272 72.022 27.255 1.00 0.00 H new ATOM 374 N ILE A 24 -29.198 74.935 25.695 1.00 0.00 N ATOM 375 CA ILE A 24 -28.220 73.813 25.987 1.00 0.00 C ATOM 376 C ILE A 24 -27.573 74.119 27.338 1.00 0.00 C ATOM 377 O ILE A 24 -27.299 73.236 28.125 1.00 0.00 O ATOM 378 CB ILE A 24 -27.092 73.662 24.916 1.00 0.00 C ATOM 379 CG1 ILE A 24 -27.444 74.399 23.632 1.00 0.00 C ATOM 380 CG2 ILE A 24 -26.905 72.172 24.563 1.00 0.00 C ATOM 381 CD1 ILE A 24 -26.382 74.155 22.553 1.00 0.00 C ATOM 0 H ILE A 24 -28.932 75.564 24.937 1.00 0.00 H new ATOM 0 HA ILE A 24 -28.776 72.876 25.981 1.00 0.00 H new ATOM 0 HB ILE A 24 -26.181 74.084 25.340 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -28.417 74.066 23.272 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -27.526 75.467 23.832 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.118 72.071 23.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.628 71.618 25.460 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -27.837 71.773 24.164 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -26.656 74.692 21.645 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -25.415 74.511 22.907 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.320 73.088 22.339 1.00 0.00 H new ATOM 393 N SER A 25 -27.332 75.379 27.605 1.00 0.00 N ATOM 394 CA SER A 25 -26.703 75.779 28.897 1.00 0.00 C ATOM 395 C SER A 25 -27.633 75.435 30.064 1.00 0.00 C ATOM 396 O SER A 25 -27.193 74.978 31.100 1.00 0.00 O ATOM 397 CB SER A 25 -26.448 77.286 28.887 1.00 0.00 C ATOM 398 OG SER A 25 -25.809 77.662 30.100 1.00 0.00 O ATOM 0 H SER A 25 -27.547 76.153 26.976 1.00 0.00 H new ATOM 0 HA SER A 25 -25.763 75.241 29.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 -25.824 77.555 28.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 -27.389 77.825 28.776 1.00 0.00 H new ATOM 0 HG SER A 25 -24.858 77.431 30.054 1.00 0.00 H new ATOM 404 N LYS A 26 -28.913 75.662 29.906 1.00 0.00 N ATOM 405 CA LYS A 26 -29.875 75.359 31.010 1.00 0.00 C ATOM 406 C LYS A 26 -29.829 73.867 31.347 1.00 0.00 C ATOM 407 O LYS A 26 -29.988 73.477 32.488 1.00 0.00 O ATOM 408 CB LYS A 26 -31.289 75.740 30.574 1.00 0.00 C ATOM 409 CG LYS A 26 -31.458 77.258 30.669 1.00 0.00 C ATOM 410 CD LYS A 26 -32.459 77.730 29.612 1.00 0.00 C ATOM 411 CE LYS A 26 -32.038 79.104 29.085 1.00 0.00 C ATOM 412 NZ LYS A 26 -32.356 79.198 27.632 1.00 0.00 N ATOM 0 H LYS A 26 -29.334 76.044 29.059 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.598 75.934 31.893 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -31.469 75.406 29.552 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -32.023 75.241 31.206 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.807 77.534 31.664 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.497 77.751 30.521 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.503 77.013 28.792 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -33.459 77.785 30.042 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.557 79.890 29.633 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -30.970 79.255 29.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -31.481 79.368 27.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.790 78.308 27.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -33.019 79.983 27.472 1.00 0.00 H new ATOM 426 N THR A 27 -29.616 73.032 30.362 1.00 0.00 N ATOM 427 CA THR A 27 -29.563 71.563 30.619 1.00 0.00 C ATOM 428 C THR A 27 -28.279 71.211 31.376 1.00 0.00 C ATOM 429 O THR A 27 -28.325 70.669 32.465 1.00 0.00 O ATOM 430 CB THR A 27 -29.596 70.818 29.286 1.00 0.00 C ATOM 431 OG1 THR A 27 -30.658 71.328 28.493 1.00 0.00 O ATOM 432 CG2 THR A 27 -29.815 69.326 29.540 1.00 0.00 C ATOM 0 H THR A 27 -29.476 73.306 29.389 1.00 0.00 H new ATOM 0 HA THR A 27 -30.421 71.270 31.224 1.00 0.00 H new ATOM 0 HB THR A 27 -28.650 70.958 28.763 1.00 0.00 H new ATOM 0 HG1 THR A 27 -31.365 70.654 28.421 1.00 0.00 H new ATOM 0 HG21 THR A 27 -29.839 68.795 28.589 1.00 0.00 H new ATOM 0 HG22 THR A 27 -29.001 68.938 30.152 1.00 0.00 H new ATOM 0 HG23 THR A 27 -30.762 69.181 30.060 1.00 0.00 H new ATOM 440 N MET A 28 -27.135 71.522 30.815 1.00 0.00 N ATOM 441 CA MET A 28 -25.854 71.218 31.502 1.00 0.00 C ATOM 442 C MET A 28 -25.300 72.545 32.066 1.00 0.00 C ATOM 443 O MET A 28 -26.067 73.338 32.581 1.00 0.00 O ATOM 444 CB MET A 28 -24.906 70.528 30.496 1.00 0.00 C ATOM 445 CG MET A 28 -25.209 69.028 30.473 1.00 0.00 C ATOM 446 SD MET A 28 -24.682 68.276 32.033 1.00 0.00 S ATOM 447 CE MET A 28 -26.329 68.115 32.765 1.00 0.00 C ATOM 0 H MET A 28 -27.040 71.975 29.906 1.00 0.00 H new ATOM 0 HA MET A 28 -25.976 70.529 32.338 1.00 0.00 H new ATOM 0 HB2 MET A 28 -25.038 70.954 29.501 1.00 0.00 H new ATOM 0 HB3 MET A 28 -23.867 70.698 30.780 1.00 0.00 H new ATOM 0 HG2 MET A 28 -26.276 68.865 30.322 1.00 0.00 H new ATOM 0 HG3 MET A 28 -24.693 68.555 29.637 1.00 0.00 H new ATOM 0 HE1 MET A 28 -26.382 68.711 33.676 1.00 0.00 H new ATOM 0 HE2 MET A 28 -27.078 68.469 32.057 1.00 0.00 H new ATOM 0 HE3 MET A 28 -26.520 67.069 33.004 1.00 0.00 H new ATOM 457 N ASN A 29 -24.010 72.801 32.022 1.00 0.00 N ATOM 458 CA ASN A 29 -23.493 74.076 32.609 1.00 0.00 C ATOM 459 C ASN A 29 -22.434 74.730 31.710 1.00 0.00 C ATOM 460 O ASN A 29 -21.250 74.503 31.876 1.00 0.00 O ATOM 461 CB ASN A 29 -22.871 73.747 33.956 1.00 0.00 C ATOM 462 CG ASN A 29 -23.075 74.916 34.922 1.00 0.00 C ATOM 463 OD1 ASN A 29 -22.170 75.691 35.156 1.00 0.00 O ATOM 464 ND2 ASN A 29 -24.236 75.075 35.498 1.00 0.00 N ATOM 0 H ASN A 29 -23.305 72.190 31.611 1.00 0.00 H new ATOM 0 HA ASN A 29 -24.319 74.781 32.709 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -23.323 72.843 34.364 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -21.807 73.545 33.835 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -24.383 75.850 36.144 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -24.996 74.424 35.301 1.00 0.00 H new ATOM 471 N ILE A 30 -22.845 75.557 30.774 1.00 0.00 N ATOM 472 CA ILE A 30 -21.846 76.244 29.883 1.00 0.00 C ATOM 473 C ILE A 30 -22.527 77.364 29.078 1.00 0.00 C ATOM 474 O ILE A 30 -23.711 77.313 28.808 1.00 0.00 O ATOM 475 CB ILE A 30 -21.178 75.247 28.906 1.00 0.00 C ATOM 476 CG1 ILE A 30 -22.088 74.039 28.604 1.00 0.00 C ATOM 477 CG2 ILE A 30 -19.873 74.738 29.519 1.00 0.00 C ATOM 478 CD1 ILE A 30 -23.291 74.476 27.765 1.00 0.00 C ATOM 0 H ILE A 30 -23.821 75.786 30.588 1.00 0.00 H new ATOM 0 HA ILE A 30 -21.075 76.670 30.525 1.00 0.00 H new ATOM 0 HB ILE A 30 -20.990 75.775 27.971 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -21.523 73.274 28.071 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -22.430 73.591 29.537 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -19.399 74.035 28.834 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -19.203 75.579 29.698 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -20.086 74.237 30.463 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -23.924 73.613 27.560 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -23.864 75.224 28.313 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -22.943 74.902 26.824 1.00 0.00 H new ATOM 490 N ALA A 31 -21.776 78.371 28.685 1.00 0.00 N ATOM 491 CA ALA A 31 -22.366 79.493 27.883 1.00 0.00 C ATOM 492 C ALA A 31 -22.665 78.971 26.477 1.00 0.00 C ATOM 493 O ALA A 31 -22.228 77.903 26.126 1.00 0.00 O ATOM 494 CB ALA A 31 -21.367 80.650 27.805 1.00 0.00 C ATOM 0 H ALA A 31 -20.780 78.463 28.886 1.00 0.00 H new ATOM 0 HA ALA A 31 -23.282 79.852 28.352 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -21.798 81.464 27.222 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.141 81.004 28.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.450 80.307 27.327 1.00 0.00 H new ATOM 500 N ARG A 32 -23.418 79.695 25.679 1.00 0.00 N ATOM 501 CA ARG A 32 -23.755 79.202 24.313 1.00 0.00 C ATOM 502 C ARG A 32 -22.504 79.078 23.435 1.00 0.00 C ATOM 503 O ARG A 32 -22.353 78.116 22.702 1.00 0.00 O ATOM 504 CB ARG A 32 -24.763 80.156 23.669 1.00 0.00 C ATOM 505 CG ARG A 32 -24.217 81.589 23.656 1.00 0.00 C ATOM 506 CD ARG A 32 -23.697 81.934 22.258 1.00 0.00 C ATOM 507 NE ARG A 32 -23.220 83.351 22.239 1.00 0.00 N ATOM 508 CZ ARG A 32 -22.479 83.815 21.251 1.00 0.00 C ATOM 509 NH1 ARG A 32 -22.125 83.054 20.241 1.00 0.00 N ATOM 510 NH2 ARG A 32 -22.089 85.060 21.278 1.00 0.00 N ATOM 0 H ARG A 32 -23.811 80.605 25.919 1.00 0.00 H new ATOM 0 HA ARG A 32 -24.191 78.207 24.401 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.978 79.833 22.650 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.704 80.124 24.218 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -25.001 82.289 23.945 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.415 81.689 24.387 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.884 81.262 21.985 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.487 81.795 21.520 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.473 83.973 23.007 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.424 82.079 20.208 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.552 83.438 19.490 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.357 85.662 22.057 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.516 85.431 20.520 1.00 0.00 H new ATOM 524 N SER A 33 -21.607 80.026 23.500 1.00 0.00 N ATOM 525 CA SER A 33 -20.372 79.942 22.663 1.00 0.00 C ATOM 526 C SER A 33 -19.418 78.921 23.286 1.00 0.00 C ATOM 527 O SER A 33 -18.661 78.255 22.602 1.00 0.00 O ATOM 528 CB SER A 33 -19.694 81.312 22.606 1.00 0.00 C ATOM 529 OG SER A 33 -20.681 82.329 22.703 1.00 0.00 O ATOM 0 H SER A 33 -21.675 80.853 24.094 1.00 0.00 H new ATOM 0 HA SER A 33 -20.633 79.632 21.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.975 81.409 23.419 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.138 81.417 21.674 1.00 0.00 H new ATOM 0 HG SER A 33 -20.249 83.208 22.669 1.00 0.00 H new ATOM 535 N THR A 34 -19.470 78.783 24.586 1.00 0.00 N ATOM 536 CA THR A 34 -18.596 77.801 25.286 1.00 0.00 C ATOM 537 C THR A 34 -18.982 76.401 24.818 1.00 0.00 C ATOM 538 O THR A 34 -18.145 75.517 24.663 1.00 0.00 O ATOM 539 CB THR A 34 -18.827 77.925 26.798 1.00 0.00 C ATOM 540 OG1 THR A 34 -18.509 79.246 27.216 1.00 0.00 O ATOM 541 CG2 THR A 34 -17.940 76.929 27.552 1.00 0.00 C ATOM 0 H THR A 34 -20.089 79.316 25.197 1.00 0.00 H new ATOM 0 HA THR A 34 -17.545 77.989 25.065 1.00 0.00 H new ATOM 0 HB THR A 34 -19.872 77.707 27.016 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.777 79.367 28.151 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.113 77.027 28.624 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.183 75.914 27.236 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.893 77.136 27.333 1.00 0.00 H new ATOM 549 N VAL A 35 -20.252 76.200 24.559 1.00 0.00 N ATOM 550 CA VAL A 35 -20.704 74.878 24.077 1.00 0.00 C ATOM 551 C VAL A 35 -20.050 74.633 22.731 1.00 0.00 C ATOM 552 O VAL A 35 -19.548 73.567 22.483 1.00 0.00 O ATOM 553 CB VAL A 35 -22.228 74.836 23.884 1.00 0.00 C ATOM 554 CG1 VAL A 35 -22.695 73.380 23.894 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.952 75.592 24.995 1.00 0.00 C ATOM 0 H VAL A 35 -20.987 76.900 24.664 1.00 0.00 H new ATOM 0 HA VAL A 35 -20.431 74.122 24.813 1.00 0.00 H new ATOM 0 HB VAL A 35 -22.463 75.312 22.932 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -23.776 73.344 23.757 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -22.208 72.836 23.084 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -22.434 72.921 24.847 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -24.028 75.542 24.828 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.713 75.140 25.958 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -22.632 76.634 24.994 1.00 0.00 H new ATOM 565 N TYR A 36 -20.056 75.629 21.868 1.00 0.00 N ATOM 566 CA TYR A 36 -19.444 75.454 20.514 1.00 0.00 C ATOM 567 C TYR A 36 -17.958 75.180 20.608 1.00 0.00 C ATOM 568 O TYR A 36 -17.374 74.647 19.684 1.00 0.00 O ATOM 569 CB TYR A 36 -19.762 76.651 19.615 1.00 0.00 C ATOM 570 CG TYR A 36 -21.197 76.506 19.144 1.00 0.00 C ATOM 571 CD1 TYR A 36 -21.656 75.279 18.622 1.00 0.00 C ATOM 572 CD2 TYR A 36 -22.074 77.581 19.262 1.00 0.00 C ATOM 573 CE1 TYR A 36 -22.978 75.130 18.223 1.00 0.00 C ATOM 574 CE2 TYR A 36 -23.406 77.442 18.861 1.00 0.00 C ATOM 575 CZ TYR A 36 -23.863 76.216 18.343 1.00 0.00 C ATOM 576 OH TYR A 36 -25.178 76.083 17.945 1.00 0.00 O ATOM 0 H TYR A 36 -20.457 76.550 22.046 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.890 74.575 20.049 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -19.631 77.585 20.161 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -19.081 76.682 18.764 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -20.973 74.447 18.532 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -21.726 78.521 19.663 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -23.323 74.188 17.824 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -24.085 78.277 18.949 1.00 0.00 H new ATOM 0 HH TYR A 36 -25.382 75.135 17.802 1.00 0.00 H new ATOM 586 N LYS A 37 -17.349 75.452 21.728 1.00 0.00 N ATOM 587 CA LYS A 37 -15.921 75.100 21.880 1.00 0.00 C ATOM 588 C LYS A 37 -15.852 73.570 21.887 1.00 0.00 C ATOM 589 O LYS A 37 -14.969 72.954 21.323 1.00 0.00 O ATOM 590 CB LYS A 37 -15.403 75.651 23.208 1.00 0.00 C ATOM 591 CG LYS A 37 -15.644 77.164 23.281 1.00 0.00 C ATOM 592 CD LYS A 37 -14.946 77.858 22.111 1.00 0.00 C ATOM 593 CE LYS A 37 -15.177 79.368 22.196 1.00 0.00 C ATOM 594 NZ LYS A 37 -14.299 80.062 21.212 1.00 0.00 N ATOM 0 H LYS A 37 -17.780 75.900 22.537 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.314 75.517 21.076 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.906 75.154 24.038 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.338 75.439 23.308 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.713 77.373 23.254 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.267 77.556 24.225 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.878 77.642 22.132 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.330 77.474 21.166 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.223 79.599 21.992 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.963 79.723 23.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.456 81.088 21.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.303 79.852 21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.524 79.731 20.252 1.00 0.00 H new ATOM 608 N VAL A 38 -16.816 72.976 22.533 1.00 0.00 N ATOM 609 CA VAL A 38 -16.910 71.496 22.630 1.00 0.00 C ATOM 610 C VAL A 38 -17.312 70.851 21.284 1.00 0.00 C ATOM 611 O VAL A 38 -16.613 70.016 20.747 1.00 0.00 O ATOM 612 CB VAL A 38 -18.006 71.162 23.646 1.00 0.00 C ATOM 613 CG1 VAL A 38 -18.149 69.645 23.777 1.00 0.00 C ATOM 614 CG2 VAL A 38 -17.673 71.784 25.004 1.00 0.00 C ATOM 0 H VAL A 38 -17.566 73.474 23.013 1.00 0.00 H new ATOM 0 HA VAL A 38 -15.933 71.110 22.922 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.952 71.576 23.297 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.930 69.414 24.501 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.414 69.220 22.809 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.204 69.218 24.114 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -18.459 71.540 25.719 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.722 71.389 25.362 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.600 72.867 24.900 1.00 0.00 H new ATOM 624 N ILE A 39 -18.472 71.198 20.785 1.00 0.00 N ATOM 625 CA ILE A 39 -18.995 70.581 19.513 1.00 0.00 C ATOM 626 C ILE A 39 -17.979 70.772 18.397 1.00 0.00 C ATOM 627 O ILE A 39 -17.817 69.936 17.529 1.00 0.00 O ATOM 628 CB ILE A 39 -20.333 71.230 19.141 1.00 0.00 C ATOM 629 CG1 ILE A 39 -21.237 71.291 20.361 1.00 0.00 C ATOM 630 CG2 ILE A 39 -21.069 70.441 18.079 1.00 0.00 C ATOM 631 CD1 ILE A 39 -21.423 72.731 20.709 1.00 0.00 C ATOM 0 H ILE A 39 -19.091 71.891 21.206 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.153 69.513 19.661 1.00 0.00 H new ATOM 0 HB ILE A 39 -20.104 72.226 18.762 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.197 70.820 20.151 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.792 70.749 21.196 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -22.011 70.936 17.846 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -20.457 70.383 17.179 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -21.269 69.435 18.447 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -22.069 72.814 21.583 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.455 73.180 20.930 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -21.882 73.252 19.869 1.00 0.00 H new ATOM 643 N ASN A 40 -17.279 71.863 18.444 1.00 0.00 N ATOM 644 CA ASN A 40 -16.233 72.140 17.422 1.00 0.00 C ATOM 645 C ASN A 40 -15.121 71.103 17.570 1.00 0.00 C ATOM 646 O ASN A 40 -14.605 70.588 16.596 1.00 0.00 O ATOM 647 CB ASN A 40 -15.652 73.533 17.658 1.00 0.00 C ATOM 648 CG ASN A 40 -14.679 73.880 16.530 1.00 0.00 C ATOM 649 OD1 ASN A 40 -15.068 73.972 15.382 1.00 0.00 O ATOM 650 ND2 ASN A 40 -13.420 74.079 16.808 1.00 0.00 N ATOM 0 H ASN A 40 -17.386 72.586 19.155 1.00 0.00 H new ATOM 0 HA ASN A 40 -16.665 72.090 16.423 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -16.454 74.270 17.700 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.138 73.566 18.619 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.764 74.311 16.063 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.092 74.002 17.771 1.00 0.00 H new ATOM 657 N GLU A 41 -14.753 70.793 18.790 1.00 0.00 N ATOM 658 CA GLU A 41 -13.674 69.786 19.017 1.00 0.00 C ATOM 659 C GLU A 41 -14.124 68.426 18.479 1.00 0.00 C ATOM 660 O GLU A 41 -13.327 67.652 17.983 1.00 0.00 O ATOM 661 CB GLU A 41 -13.388 69.673 20.514 1.00 0.00 C ATOM 662 CG GLU A 41 -12.583 70.890 20.974 1.00 0.00 C ATOM 663 CD GLU A 41 -12.334 70.799 22.480 1.00 0.00 C ATOM 664 OE1 GLU A 41 -13.304 70.748 23.219 1.00 0.00 O ATOM 665 OE2 GLU A 41 -11.178 70.782 22.870 1.00 0.00 O ATOM 0 H GLU A 41 -15.155 71.195 19.637 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.769 70.101 18.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.324 69.611 21.070 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.833 68.758 20.721 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.634 70.934 20.440 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.124 71.807 20.739 1.00 0.00 H new ATOM 672 N SER A 42 -15.397 68.132 18.573 1.00 0.00 N ATOM 673 CA SER A 42 -15.916 66.822 18.069 1.00 0.00 C ATOM 674 C SER A 42 -15.223 65.672 18.805 1.00 0.00 C ATOM 675 O SER A 42 -14.929 64.642 18.228 1.00 0.00 O ATOM 676 CB SER A 42 -15.646 66.706 16.567 1.00 0.00 C ATOM 677 OG SER A 42 -16.768 67.201 15.849 1.00 0.00 O ATOM 0 H SER A 42 -16.103 68.746 18.979 1.00 0.00 H new ATOM 0 HA SER A 42 -16.990 66.769 18.249 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.752 67.270 16.302 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.458 65.666 16.299 1.00 0.00 H new ATOM 0 HG SER A 42 -16.598 67.130 14.887 1.00 0.00 H new