USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 373 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 24 TYR OH : rot 180:sc= 0.748 USER MOD Set 1.2: A 48 TYR OH : rot -147:sc= 0.843 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 5 THR OG1 : rot -149:sc= 0.903 USER MOD Single : A 15 HIS : no HD1:sc= 0.0162 K(o=0.016,f=-0.93) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.155 K(o=0.15,f=-4.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 40 THR OG1 : rot -39:sc= 0.541 USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.02) USER MOD Single : A 44 THR OG1 : rot 153:sc= 1.24 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 31.684 36.219 25.216 1.00 0.00 N ATOM 30 CA VAL A 3 32.980 36.455 25.885 1.00 0.00 C ATOM 31 C VAL A 3 34.138 35.762 25.153 1.00 0.00 C ATOM 32 O VAL A 3 33.974 34.680 24.591 1.00 0.00 O ATOM 33 CB VAL A 3 32.989 35.955 27.357 1.00 0.00 C ATOM 34 CG1 VAL A 3 32.423 36.994 28.337 1.00 0.00 C ATOM 35 CG2 VAL A 3 32.264 34.603 27.531 1.00 0.00 C ATOM 0 HA VAL A 3 33.116 37.536 25.865 1.00 0.00 H new ATOM 0 HB VAL A 3 34.040 35.803 27.602 1.00 0.00 H new ATOM 0 HG11 VAL A 3 32.453 36.593 29.350 1.00 0.00 H new ATOM 0 HG12 VAL A 3 33.022 37.903 28.289 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.392 37.224 28.068 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.301 34.302 28.578 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.224 34.705 27.219 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.754 33.846 26.918 1.00 0.00 H new ATOM 45 N ASN A 4 35.331 36.358 25.214 1.00 0.00 N ATOM 46 CA ASN A 4 36.576 35.769 24.708 1.00 0.00 C ATOM 47 C ASN A 4 37.176 34.808 25.751 1.00 0.00 C ATOM 48 O ASN A 4 37.928 35.233 26.630 1.00 0.00 O ATOM 49 CB ASN A 4 37.582 36.885 24.376 1.00 0.00 C ATOM 50 CG ASN A 4 37.148 37.759 23.206 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.228 38.566 23.314 1.00 0.00 O ATOM 52 ND2 ASN A 4 37.773 37.621 22.055 1.00 0.00 N ATOM 0 H ASN A 4 35.463 37.282 25.625 1.00 0.00 H new ATOM 0 HA ASN A 4 36.357 35.204 23.802 1.00 0.00 H new ATOM 0 HB2 ASN A 4 37.722 37.512 25.257 1.00 0.00 H new ATOM 0 HB3 ASN A 4 38.549 36.437 24.147 1.00 0.00 H new ATOM 0 HD21 ASN A 4 37.493 38.184 21.252 1.00 0.00 H new ATOM 0 HD22 ASN A 4 38.537 36.951 21.967 1.00 0.00 H new ATOM 59 N THR A 5 36.873 33.507 25.667 1.00 0.00 N ATOM 60 CA THR A 5 37.450 32.490 26.552 1.00 0.00 C ATOM 61 C THR A 5 38.559 31.808 25.795 1.00 0.00 C ATOM 62 O THR A 5 38.387 31.363 24.662 1.00 0.00 O ATOM 63 CB THR A 5 36.442 31.448 27.038 1.00 0.00 C ATOM 64 OG1 THR A 5 35.914 30.679 25.989 1.00 0.00 O ATOM 65 CG2 THR A 5 35.343 32.129 27.829 1.00 0.00 C ATOM 0 H THR A 5 36.219 33.130 24.981 1.00 0.00 H new ATOM 0 HA THR A 5 37.810 32.992 27.450 1.00 0.00 H new ATOM 0 HB THR A 5 36.971 30.751 27.688 1.00 0.00 H new ATOM 0 HG1 THR A 5 34.998 30.409 26.210 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.627 31.383 28.173 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.777 32.640 28.689 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.834 32.855 27.194 1.00 0.00 H new ATOM 73 N GLY A 6 39.675 31.630 26.478 1.00 0.00 N ATOM 74 CA GLY A 6 40.571 30.527 26.196 1.00 0.00 C ATOM 75 C GLY A 6 40.129 29.152 26.707 1.00 0.00 C ATOM 76 O GLY A 6 41.003 28.344 27.015 1.00 0.00 O ATOM 0 H GLY A 6 39.982 32.240 27.236 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.708 30.464 25.117 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.545 30.757 26.628 1.00 0.00 H new ATOM 80 N LEU A 7 38.832 28.864 26.889 1.00 0.00 N ATOM 81 CA LEU A 7 38.399 27.554 27.408 1.00 0.00 C ATOM 82 C LEU A 7 38.604 26.453 26.341 1.00 0.00 C ATOM 83 O LEU A 7 38.773 26.797 25.160 1.00 0.00 O ATOM 84 CB LEU A 7 36.972 27.626 27.986 1.00 0.00 C ATOM 85 CG LEU A 7 36.975 28.099 29.460 1.00 0.00 C ATOM 86 CD1 LEU A 7 35.553 28.498 29.879 1.00 0.00 C ATOM 87 CD2 LEU A 7 37.486 27.008 30.429 1.00 0.00 C ATOM 0 H LEU A 7 38.070 29.511 26.688 1.00 0.00 H new ATOM 0 HA LEU A 7 39.030 27.271 28.251 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.370 28.309 27.386 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.502 26.645 27.920 1.00 0.00 H new ATOM 0 HG LEU A 7 37.653 28.951 29.520 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.559 28.830 30.917 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.199 29.308 29.241 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.889 27.639 29.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 37.468 27.390 31.450 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.844 26.130 30.359 1.00 0.00 H new ATOM 0 HD23 LEU A 7 38.507 26.733 30.162 1.00 0.00 H new ATOM 99 N PRO A 8 38.656 25.154 26.710 1.00 0.00 N ATOM 100 CA PRO A 8 38.940 24.105 25.733 1.00 0.00 C ATOM 101 C PRO A 8 37.736 23.871 24.804 1.00 0.00 C ATOM 102 O PRO A 8 36.654 24.408 25.032 1.00 0.00 O ATOM 103 CB PRO A 8 39.351 22.889 26.563 1.00 0.00 C ATOM 104 CG PRO A 8 38.502 23.051 27.816 1.00 0.00 C ATOM 105 CD PRO A 8 38.548 24.559 28.047 1.00 0.00 C ATOM 0 HA PRO A 8 39.743 24.366 25.044 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.139 21.953 26.046 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.417 22.893 26.790 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.483 22.693 27.666 1.00 0.00 H new ATOM 0 HG3 PRO A 8 38.913 22.497 28.660 1.00 0.00 H new ATOM 0 HD2 PRO A 8 37.651 24.906 28.560 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.399 24.835 28.670 1.00 0.00 H new ATOM 113 N ALA A 9 37.949 23.103 23.731 1.00 0.00 N ATOM 114 CA ALA A 9 37.150 23.110 22.494 1.00 0.00 C ATOM 115 C ALA A 9 35.618 22.925 22.609 1.00 0.00 C ATOM 116 O ALA A 9 34.903 23.302 21.673 1.00 0.00 O ATOM 117 CB ALA A 9 37.754 22.036 21.576 1.00 0.00 C ATOM 0 H ALA A 9 38.714 22.430 23.696 1.00 0.00 H new ATOM 0 HA ALA A 9 37.217 24.125 22.103 1.00 0.00 H new ATOM 0 HB1 ALA A 9 37.195 22.001 20.641 1.00 0.00 H new ATOM 0 HB2 ALA A 9 38.796 22.280 21.367 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.700 21.065 22.068 1.00 0.00 H new ATOM 123 N GLY A 10 35.102 22.354 23.705 1.00 0.00 N ATOM 124 CA GLY A 10 33.672 22.114 23.932 1.00 0.00 C ATOM 125 C GLY A 10 33.241 22.433 25.361 1.00 0.00 C ATOM 126 O GLY A 10 33.319 21.570 26.235 1.00 0.00 O ATOM 0 H GLY A 10 35.685 22.037 24.480 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.091 22.721 23.238 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.443 21.071 23.712 1.00 0.00 H new ATOM 130 N TRP A 11 32.747 23.655 25.583 1.00 0.00 N ATOM 131 CA TRP A 11 32.301 24.163 26.891 1.00 0.00 C ATOM 132 C TRP A 11 30.949 24.917 26.847 1.00 0.00 C ATOM 133 O TRP A 11 30.536 25.439 25.808 1.00 0.00 O ATOM 134 CB TRP A 11 33.398 25.079 27.464 1.00 0.00 C ATOM 135 CG TRP A 11 33.494 26.435 26.831 1.00 0.00 C ATOM 136 CD1 TRP A 11 34.161 26.723 25.692 1.00 0.00 C ATOM 137 CD2 TRP A 11 32.889 27.696 27.262 1.00 0.00 C ATOM 138 NE1 TRP A 11 34.003 28.057 25.383 1.00 0.00 N ATOM 139 CE2 TRP A 11 33.210 28.705 26.306 1.00 0.00 C ATOM 140 CE3 TRP A 11 32.094 28.086 28.362 1.00 0.00 C ATOM 141 CZ2 TRP A 11 32.746 30.024 26.424 1.00 0.00 C ATOM 142 CZ3 TRP A 11 31.643 29.414 28.504 1.00 0.00 C ATOM 143 CH2 TRP A 11 31.963 30.382 27.535 1.00 0.00 C ATOM 0 H TRP A 11 32.642 24.342 24.836 1.00 0.00 H new ATOM 0 HA TRP A 11 32.134 23.297 27.531 1.00 0.00 H new ATOM 0 HB2 TRP A 11 33.221 25.206 28.532 1.00 0.00 H new ATOM 0 HB3 TRP A 11 34.360 24.577 27.358 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.732 26.014 25.111 1.00 0.00 H new ATOM 0 HE1 TRP A 11 34.422 28.510 24.570 1.00 0.00 H new ATOM 0 HE3 TRP A 11 31.826 27.353 29.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 32.988 30.757 25.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 31.048 29.690 29.362 1.00 0.00 H new ATOM 0 HH2 TRP A 11 31.608 31.396 27.644 1.00 0.00 H new ATOM 154 N GLU A 12 30.292 25.029 28.004 1.00 0.00 N ATOM 155 CA GLU A 12 29.149 25.907 28.302 1.00 0.00 C ATOM 156 C GLU A 12 29.206 26.264 29.802 1.00 0.00 C ATOM 157 O GLU A 12 29.701 25.447 30.574 1.00 0.00 O ATOM 158 CB GLU A 12 27.832 25.181 27.954 1.00 0.00 C ATOM 159 CG GLU A 12 26.630 26.139 27.985 1.00 0.00 C ATOM 160 CD GLU A 12 25.269 25.482 27.781 1.00 0.00 C ATOM 161 OE1 GLU A 12 25.184 24.245 27.611 1.00 0.00 O ATOM 162 OE2 GLU A 12 24.259 26.221 27.842 1.00 0.00 O ATOM 0 H GLU A 12 30.560 24.472 28.815 1.00 0.00 H new ATOM 0 HA GLU A 12 29.192 26.820 27.708 1.00 0.00 H new ATOM 0 HB2 GLU A 12 27.914 24.732 26.964 1.00 0.00 H new ATOM 0 HB3 GLU A 12 27.667 24.367 28.660 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.625 26.658 28.943 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.769 26.896 27.213 1.00 0.00 H new ATOM 169 N VAL A 13 28.723 27.433 30.248 1.00 0.00 N ATOM 170 CA VAL A 13 28.611 27.735 31.694 1.00 0.00 C ATOM 171 C VAL A 13 27.271 27.248 32.250 1.00 0.00 C ATOM 172 O VAL A 13 26.251 27.291 31.556 1.00 0.00 O ATOM 173 CB VAL A 13 28.849 29.229 32.031 1.00 0.00 C ATOM 174 CG1 VAL A 13 27.621 30.135 31.835 1.00 0.00 C ATOM 175 CG2 VAL A 13 29.341 29.400 33.475 1.00 0.00 C ATOM 0 H VAL A 13 28.404 28.185 29.637 1.00 0.00 H new ATOM 0 HA VAL A 13 29.414 27.186 32.185 1.00 0.00 H new ATOM 0 HB VAL A 13 29.607 29.546 31.315 1.00 0.00 H new ATOM 0 HG11 VAL A 13 27.881 31.161 32.095 1.00 0.00 H new ATOM 0 HG12 VAL A 13 27.301 30.094 30.794 1.00 0.00 H new ATOM 0 HG13 VAL A 13 26.810 29.792 32.478 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.499 30.458 33.683 1.00 0.00 H new ATOM 0 HG22 VAL A 13 28.595 29.003 34.163 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.279 28.860 33.606 1.00 0.00 H new ATOM 185 N ARG A 14 27.273 26.818 33.514 1.00 0.00 N ATOM 186 CA ARG A 14 26.096 26.427 34.283 1.00 0.00 C ATOM 187 C ARG A 14 26.054 27.164 35.624 1.00 0.00 C ATOM 188 O ARG A 14 26.860 26.915 36.519 1.00 0.00 O ATOM 189 CB ARG A 14 26.105 24.906 34.537 1.00 0.00 C ATOM 190 CG ARG A 14 26.011 24.004 33.294 1.00 0.00 C ATOM 191 CD ARG A 14 24.623 23.971 32.643 1.00 0.00 C ATOM 192 NE ARG A 14 24.318 25.224 31.934 1.00 0.00 N ATOM 193 CZ ARG A 14 23.166 25.880 31.945 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.060 25.358 32.416 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.111 27.110 31.490 1.00 0.00 N ATOM 0 H ARG A 14 28.136 26.730 34.051 1.00 0.00 H new ATOM 0 HA ARG A 14 25.212 26.694 33.704 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.020 24.655 35.073 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.272 24.665 35.198 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.738 24.345 32.556 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.293 22.989 33.574 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.570 23.136 31.944 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.867 23.794 33.408 1.00 0.00 H new ATOM 0 HE ARG A 14 25.070 25.629 31.377 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.064 24.411 32.794 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.195 25.899 32.405 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.953 27.558 31.129 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.226 27.617 31.497 1.00 0.00 H new ATOM 209 N HIS A 15 25.060 28.036 35.771 1.00 0.00 N ATOM 210 CA HIS A 15 24.600 28.530 37.069 1.00 0.00 C ATOM 211 C HIS A 15 23.694 27.487 37.768 1.00 0.00 C ATOM 212 O HIS A 15 22.979 26.728 37.104 1.00 0.00 O ATOM 213 CB HIS A 15 23.882 29.876 36.863 1.00 0.00 C ATOM 214 CG HIS A 15 22.707 29.797 35.922 1.00 0.00 C ATOM 215 ND1 HIS A 15 22.780 29.918 34.532 1.00 0.00 N ATOM 216 CD2 HIS A 15 21.428 29.483 36.275 1.00 0.00 C ATOM 217 CE1 HIS A 15 21.539 29.668 34.083 1.00 0.00 C ATOM 218 NE2 HIS A 15 20.708 29.401 35.106 1.00 0.00 N ATOM 0 H HIS A 15 24.544 28.425 34.982 1.00 0.00 H new ATOM 0 HA HIS A 15 25.453 28.688 37.728 1.00 0.00 H new ATOM 0 HB2 HIS A 15 23.539 30.246 37.829 1.00 0.00 H new ATOM 0 HB3 HIS A 15 24.596 30.604 36.478 1.00 0.00 H new ATOM 0 HD2 HIS A 15 21.054 29.329 37.276 1.00 0.00 H new ATOM 0 HE1 HIS A 15 21.248 29.680 33.043 1.00 0.00 H new ATOM 0 HE2 HIS A 15 19.716 29.177 35.028 1.00 0.00 H new ATOM 226 N SER A 16 23.690 27.452 39.100 1.00 0.00 N ATOM 227 CA SER A 16 22.846 26.539 39.890 1.00 0.00 C ATOM 228 C SER A 16 22.724 26.989 41.353 1.00 0.00 C ATOM 229 O SER A 16 23.726 27.261 42.014 1.00 0.00 O ATOM 230 CB SER A 16 23.393 25.099 39.817 1.00 0.00 C ATOM 231 OG SER A 16 22.536 24.156 40.452 1.00 0.00 O ATOM 0 H SER A 16 24.276 28.060 39.672 1.00 0.00 H new ATOM 0 HA SER A 16 21.847 26.564 39.455 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.527 24.817 38.773 1.00 0.00 H new ATOM 0 HB3 SER A 16 24.377 25.064 40.285 1.00 0.00 H new ATOM 0 HG SER A 16 22.924 23.259 40.378 1.00 0.00 H new ATOM 237 N ASN A 17 21.501 27.013 41.894 1.00 0.00 N ATOM 238 CA ASN A 17 21.212 27.344 43.301 1.00 0.00 C ATOM 239 C ASN A 17 21.723 26.279 44.298 1.00 0.00 C ATOM 240 O ASN A 17 21.686 26.477 45.512 1.00 0.00 O ATOM 241 CB ASN A 17 19.695 27.564 43.463 1.00 0.00 C ATOM 242 CG ASN A 17 19.186 28.848 42.811 1.00 0.00 C ATOM 243 OD1 ASN A 17 19.812 29.440 41.942 1.00 0.00 O ATOM 244 ND2 ASN A 17 18.028 29.324 43.217 1.00 0.00 N ATOM 0 H ASN A 17 20.662 26.798 41.356 1.00 0.00 H new ATOM 0 HA ASN A 17 21.754 28.258 43.543 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.166 26.714 43.032 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.452 27.586 44.525 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.657 30.182 42.808 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.501 28.835 43.941 1.00 0.00 H new ATOM 251 N SER A 18 22.203 25.139 43.807 1.00 0.00 N ATOM 252 CA SER A 18 22.959 24.141 44.579 1.00 0.00 C ATOM 253 C SER A 18 24.416 24.574 44.854 1.00 0.00 C ATOM 254 O SER A 18 25.073 24.048 45.752 1.00 0.00 O ATOM 255 CB SER A 18 22.950 22.853 43.751 1.00 0.00 C ATOM 256 OG SER A 18 23.323 21.707 44.491 1.00 0.00 O ATOM 0 H SER A 18 22.076 24.871 42.831 1.00 0.00 H new ATOM 0 HA SER A 18 22.493 24.012 45.556 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.952 22.702 43.339 1.00 0.00 H new ATOM 0 HB3 SER A 18 23.629 22.968 42.906 1.00 0.00 H new ATOM 0 HG SER A 18 23.296 20.919 43.909 1.00 0.00 H new ATOM 262 N LYS A 19 24.934 25.529 44.074 1.00 0.00 N ATOM 263 CA LYS A 19 26.340 25.941 44.047 1.00 0.00 C ATOM 264 C LYS A 19 26.517 27.407 44.488 1.00 0.00 C ATOM 265 O LYS A 19 25.570 28.201 44.452 1.00 0.00 O ATOM 266 CB LYS A 19 26.880 25.718 42.616 1.00 0.00 C ATOM 267 CG LYS A 19 26.754 24.273 42.091 1.00 0.00 C ATOM 268 CD LYS A 19 27.648 23.245 42.804 1.00 0.00 C ATOM 269 CE LYS A 19 29.107 23.386 42.355 1.00 0.00 C ATOM 270 NZ LYS A 19 29.986 22.401 43.023 1.00 0.00 N ATOM 0 H LYS A 19 24.360 26.058 43.417 1.00 0.00 H new ATOM 0 HA LYS A 19 26.907 25.339 44.758 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.349 26.384 41.935 1.00 0.00 H new ATOM 0 HB3 LYS A 19 27.930 26.008 42.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 25.715 23.957 42.185 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.994 24.266 41.028 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.580 23.384 43.883 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.293 22.237 42.589 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.169 23.254 41.275 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.459 24.394 42.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.964 22.529 42.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.947 22.543 44.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.666 21.438 42.794 1.00 0.00 H new ATOM 284 N ASN A 20 27.738 27.784 44.878 1.00 0.00 N ATOM 285 CA ASN A 20 28.098 29.174 45.198 1.00 0.00 C ATOM 286 C ASN A 20 28.601 29.946 43.962 1.00 0.00 C ATOM 287 O ASN A 20 28.282 31.129 43.791 1.00 0.00 O ATOM 288 CB ASN A 20 29.174 29.171 46.299 1.00 0.00 C ATOM 289 CG ASN A 20 28.657 28.750 47.673 1.00 0.00 C ATOM 290 OD1 ASN A 20 27.460 28.661 47.936 1.00 0.00 O ATOM 291 ND2 ASN A 20 29.551 28.513 48.611 1.00 0.00 N ATOM 0 H ASN A 20 28.513 27.129 44.982 1.00 0.00 H new ATOM 0 HA ASN A 20 27.202 29.686 45.547 1.00 0.00 H new ATOM 0 HB2 ASN A 20 29.979 28.498 46.004 1.00 0.00 H new ATOM 0 HB3 ASN A 20 29.604 30.170 46.375 1.00 0.00 H new ATOM 0 HD21 ASN A 20 29.248 28.257 49.551 1.00 0.00 H new ATOM 0 HD22 ASN A 20 30.546 28.586 48.397 1.00 0.00 H new ATOM 298 N LEU A 21 29.381 29.281 43.105 1.00 0.00 N ATOM 299 CA LEU A 21 29.924 29.776 41.832 1.00 0.00 C ATOM 300 C LEU A 21 29.146 29.157 40.645 1.00 0.00 C ATOM 301 O LEU A 21 28.280 28.300 40.862 1.00 0.00 O ATOM 302 CB LEU A 21 31.431 29.400 41.779 1.00 0.00 C ATOM 303 CG LEU A 21 32.422 30.309 42.537 1.00 0.00 C ATOM 304 CD1 LEU A 21 32.454 31.740 41.989 1.00 0.00 C ATOM 305 CD2 LEU A 21 32.185 30.341 44.055 1.00 0.00 C ATOM 0 H LEU A 21 29.670 28.321 43.292 1.00 0.00 H new ATOM 0 HA LEU A 21 29.816 30.858 41.760 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.538 28.388 42.169 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.734 29.373 40.732 1.00 0.00 H new ATOM 0 HG LEU A 21 33.395 29.850 42.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.168 32.333 42.561 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.754 31.722 40.941 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.463 32.185 42.075 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.917 30.999 44.524 1.00 0.00 H new ATOM 0 HD22 LEU A 21 31.181 30.712 44.259 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.289 29.335 44.461 1.00 0.00 H new ATOM 317 N PRO A 22 29.443 29.540 39.389 1.00 0.00 N ATOM 318 CA PRO A 22 29.170 28.699 38.229 1.00 0.00 C ATOM 319 C PRO A 22 30.095 27.474 38.213 1.00 0.00 C ATOM 320 O PRO A 22 31.191 27.495 38.775 1.00 0.00 O ATOM 321 CB PRO A 22 29.425 29.583 37.004 1.00 0.00 C ATOM 322 CG PRO A 22 30.453 30.600 37.506 1.00 0.00 C ATOM 323 CD PRO A 22 30.107 30.774 38.986 1.00 0.00 C ATOM 0 HA PRO A 22 28.148 28.319 38.245 1.00 0.00 H new ATOM 0 HB2 PRO A 22 29.810 29.004 36.164 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.511 30.070 36.663 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.472 30.236 37.374 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.379 31.543 36.965 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.005 30.946 39.579 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.456 31.635 39.136 1.00 0.00 H new ATOM 331 N TYR A 23 29.682 26.420 37.511 1.00 0.00 N ATOM 332 CA TYR A 23 30.583 25.385 36.977 1.00 0.00 C ATOM 333 C TYR A 23 30.462 25.323 35.446 1.00 0.00 C ATOM 334 O TYR A 23 29.495 25.841 34.887 1.00 0.00 O ATOM 335 CB TYR A 23 30.293 24.021 37.626 1.00 0.00 C ATOM 336 CG TYR A 23 28.961 23.378 37.269 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.868 22.500 36.170 1.00 0.00 C ATOM 338 CD2 TYR A 23 27.824 23.623 38.061 1.00 0.00 C ATOM 339 CE1 TYR A 23 27.649 21.866 35.864 1.00 0.00 C ATOM 340 CE2 TYR A 23 26.606 22.973 37.778 1.00 0.00 C ATOM 341 CZ TYR A 23 26.516 22.087 36.681 1.00 0.00 C ATOM 342 OH TYR A 23 25.343 21.448 36.414 1.00 0.00 O ATOM 0 H TYR A 23 28.700 26.253 37.291 1.00 0.00 H new ATOM 0 HA TYR A 23 31.612 25.647 37.224 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.091 23.333 37.348 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.337 24.140 38.709 1.00 0.00 H new ATOM 0 HD1 TYR A 23 29.738 22.312 35.558 1.00 0.00 H new ATOM 0 HD2 TYR A 23 27.885 24.313 38.890 1.00 0.00 H new ATOM 0 HE1 TYR A 23 27.579 21.212 35.007 1.00 0.00 H new ATOM 0 HE2 TYR A 23 25.741 23.152 38.400 1.00 0.00 H new ATOM 0 HH TYR A 23 24.669 21.713 37.074 1.00 0.00 H new ATOM 352 N TYR A 24 31.408 24.695 34.741 1.00 0.00 N ATOM 353 CA TYR A 24 31.299 24.541 33.282 1.00 0.00 C ATOM 354 C TYR A 24 30.835 23.125 32.912 1.00 0.00 C ATOM 355 O TYR A 24 31.303 22.152 33.498 1.00 0.00 O ATOM 356 CB TYR A 24 32.637 24.916 32.634 1.00 0.00 C ATOM 357 CG TYR A 24 33.056 26.349 32.916 1.00 0.00 C ATOM 358 CD1 TYR A 24 32.500 27.396 32.165 1.00 0.00 C ATOM 359 CD2 TYR A 24 33.957 26.643 33.965 1.00 0.00 C ATOM 360 CE1 TYR A 24 32.842 28.735 32.445 1.00 0.00 C ATOM 361 CE2 TYR A 24 34.292 27.978 34.263 1.00 0.00 C ATOM 362 CZ TYR A 24 33.731 29.032 33.499 1.00 0.00 C ATOM 363 OH TYR A 24 34.037 30.330 33.778 1.00 0.00 O ATOM 0 H TYR A 24 32.250 24.288 35.149 1.00 0.00 H new ATOM 0 HA TYR A 24 30.538 25.218 32.894 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.411 24.240 32.996 1.00 0.00 H new ATOM 0 HB3 TYR A 24 32.565 24.770 31.556 1.00 0.00 H new ATOM 0 HD1 TYR A 24 31.806 27.175 31.368 1.00 0.00 H new ATOM 0 HD2 TYR A 24 34.391 25.839 34.541 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.423 29.534 31.852 1.00 0.00 H new ATOM 0 HE2 TYR A 24 34.974 28.198 35.071 1.00 0.00 H new ATOM 0 HH TYR A 24 34.662 30.364 34.532 1.00 0.00 H new ATOM 373 N PHE A 25 29.925 22.993 31.945 1.00 0.00 N ATOM 374 CA PHE A 25 29.540 21.720 31.329 1.00 0.00 C ATOM 375 C PHE A 25 30.304 21.522 30.014 1.00 0.00 C ATOM 376 O PHE A 25 30.637 22.491 29.332 1.00 0.00 O ATOM 377 CB PHE A 25 28.020 21.695 31.107 1.00 0.00 C ATOM 378 CG PHE A 25 27.487 20.426 30.462 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.371 19.252 31.234 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.100 20.406 29.105 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.860 18.075 30.662 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.572 19.231 28.540 1.00 0.00 C ATOM 383 CZ PHE A 25 26.453 18.066 29.317 1.00 0.00 C ATOM 0 H PHE A 25 29.421 23.791 31.557 1.00 0.00 H new ATOM 0 HA PHE A 25 29.801 20.895 31.992 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.525 21.832 32.068 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.745 22.545 30.483 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.676 19.258 32.270 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.209 21.294 28.500 1.00 0.00 H new ATOM 0 HE1 PHE A 25 26.780 17.177 31.256 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.257 19.224 27.507 1.00 0.00 H new ATOM 0 HZ PHE A 25 26.049 17.164 28.881 1.00 0.00 H new ATOM 393 N ASN A 26 30.557 20.266 29.645 1.00 0.00 N ATOM 394 CA ASN A 26 31.270 19.889 28.425 1.00 0.00 C ATOM 395 C ASN A 26 30.346 19.118 27.462 1.00 0.00 C ATOM 396 O ASN A 26 30.141 17.917 27.653 1.00 0.00 O ATOM 397 CB ASN A 26 32.499 19.065 28.816 1.00 0.00 C ATOM 398 CG ASN A 26 33.495 19.904 29.595 1.00 0.00 C ATOM 399 OD1 ASN A 26 33.535 19.869 30.815 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.294 20.709 28.918 1.00 0.00 N ATOM 0 H ASN A 26 30.264 19.462 30.201 1.00 0.00 H new ATOM 0 HA ASN A 26 31.595 20.783 27.893 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.191 18.210 29.417 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.975 18.669 27.919 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.953 21.309 29.414 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.252 20.730 27.899 1.00 0.00 H new ATOM 407 N PRO A 27 29.772 19.776 26.431 1.00 0.00 N ATOM 408 CA PRO A 27 28.783 19.150 25.555 1.00 0.00 C ATOM 409 C PRO A 27 29.335 18.047 24.631 1.00 0.00 C ATOM 410 O PRO A 27 28.558 17.206 24.186 1.00 0.00 O ATOM 411 CB PRO A 27 28.151 20.293 24.749 1.00 0.00 C ATOM 412 CG PRO A 27 28.487 21.557 25.531 1.00 0.00 C ATOM 413 CD PRO A 27 29.825 21.209 26.168 1.00 0.00 C ATOM 0 HA PRO A 27 28.056 18.617 26.168 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.556 20.335 23.738 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.073 20.161 24.655 1.00 0.00 H new ATOM 0 HG2 PRO A 27 28.563 22.428 24.880 1.00 0.00 H new ATOM 0 HG3 PRO A 27 27.728 21.784 26.280 1.00 0.00 H new ATOM 0 HD2 PRO A 27 30.652 21.455 25.502 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.979 21.771 27.089 1.00 0.00 H new ATOM 421 N ALA A 28 30.642 18.027 24.324 1.00 0.00 N ATOM 422 CA ALA A 28 31.248 17.049 23.406 1.00 0.00 C ATOM 423 C ALA A 28 31.426 15.647 24.029 1.00 0.00 C ATOM 424 O ALA A 28 31.119 14.635 23.386 1.00 0.00 O ATOM 425 CB ALA A 28 32.578 17.634 22.914 1.00 0.00 C ATOM 0 H ALA A 28 31.312 18.693 24.708 1.00 0.00 H new ATOM 0 HA ALA A 28 30.571 16.885 22.568 1.00 0.00 H new ATOM 0 HB1 ALA A 28 33.054 16.931 22.230 1.00 0.00 H new ATOM 0 HB2 ALA A 28 32.392 18.575 22.396 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.235 17.812 23.766 1.00 0.00 H new ATOM 431 N THR A 29 31.860 15.583 25.294 1.00 0.00 N ATOM 432 CA THR A 29 31.854 14.368 26.129 1.00 0.00 C ATOM 433 C THR A 29 31.229 14.744 27.468 1.00 0.00 C ATOM 434 O THR A 29 31.909 15.354 28.294 1.00 0.00 O ATOM 435 CB THR A 29 33.274 13.803 26.321 1.00 0.00 C ATOM 436 OG1 THR A 29 33.927 13.673 25.079 1.00 0.00 O ATOM 437 CG2 THR A 29 33.238 12.418 26.965 1.00 0.00 C ATOM 0 H THR A 29 32.236 16.396 25.782 1.00 0.00 H new ATOM 0 HA THR A 29 31.278 13.582 25.642 1.00 0.00 H new ATOM 0 HB THR A 29 33.807 14.501 26.967 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.828 13.315 25.219 1.00 0.00 H new ATOM 0 HG21 THR A 29 34.256 12.047 27.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.756 12.483 27.941 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.677 11.735 26.328 1.00 0.00 H new ATOM 445 N ARG A 30 29.943 14.411 27.658 1.00 0.00 N ATOM 446 CA ARG A 30 29.110 14.828 28.800 1.00 0.00 C ATOM 447 C ARG A 30 29.820 14.619 30.141 1.00 0.00 C ATOM 448 O ARG A 30 30.035 13.489 30.580 1.00 0.00 O ATOM 449 CB ARG A 30 27.686 14.228 28.810 1.00 0.00 C ATOM 450 CG ARG A 30 27.502 12.964 27.966 1.00 0.00 C ATOM 451 CD ARG A 30 26.094 12.362 28.112 1.00 0.00 C ATOM 452 NE ARG A 30 25.945 11.660 29.395 1.00 0.00 N ATOM 453 CZ ARG A 30 24.923 10.918 29.798 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.796 10.793 29.128 1.00 0.00 N ATOM 455 NH2 ARG A 30 25.045 10.256 30.923 1.00 0.00 N ATOM 0 H ARG A 30 29.435 13.823 26.998 1.00 0.00 H new ATOM 0 HA ARG A 30 28.968 15.899 28.658 1.00 0.00 H new ATOM 0 HB2 ARG A 30 27.413 14.000 29.840 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.988 14.986 28.456 1.00 0.00 H new ATOM 0 HG2 ARG A 30 27.687 13.200 26.918 1.00 0.00 H new ATOM 0 HG3 ARG A 30 28.244 12.222 28.261 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.348 13.154 28.039 1.00 0.00 H new ATOM 0 HD3 ARG A 30 25.905 11.669 27.292 1.00 0.00 H new ATOM 0 HE ARG A 30 26.719 11.755 30.052 1.00 0.00 H new ATOM 0 HH11 ARG A 30 23.672 11.284 28.243 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.047 10.205 29.494 1.00 0.00 H new ATOM 0 HH21 ARG A 30 25.909 10.321 31.462 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.276 9.676 31.260 1.00 0.00 H new ATOM 469 N GLU A 31 30.179 15.736 30.762 1.00 0.00 N ATOM 470 CA GLU A 31 31.054 15.874 31.930 1.00 0.00 C ATOM 471 C GLU A 31 31.042 17.360 32.358 1.00 0.00 C ATOM 472 O GLU A 31 30.434 18.192 31.680 1.00 0.00 O ATOM 473 CB GLU A 31 32.481 15.401 31.560 1.00 0.00 C ATOM 474 CG GLU A 31 33.324 14.842 32.712 1.00 0.00 C ATOM 475 CD GLU A 31 32.811 13.492 33.215 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.907 12.468 32.496 1.00 0.00 O ATOM 477 OE2 GLU A 31 32.308 13.433 34.360 1.00 0.00 O ATOM 0 H GLU A 31 29.841 16.643 30.440 1.00 0.00 H new ATOM 0 HA GLU A 31 30.707 15.260 32.761 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.400 14.634 30.790 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.017 16.241 31.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.357 14.734 32.382 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.326 15.556 33.536 1.00 0.00 H new ATOM 484 N SER A 32 31.725 17.728 33.444 1.00 0.00 N ATOM 485 CA SER A 32 31.947 19.135 33.819 1.00 0.00 C ATOM 486 C SER A 32 33.439 19.523 33.831 1.00 0.00 C ATOM 487 O SER A 32 34.316 18.670 33.674 1.00 0.00 O ATOM 488 CB SER A 32 31.239 19.462 35.153 1.00 0.00 C ATOM 489 OG SER A 32 31.636 18.645 36.248 1.00 0.00 O ATOM 0 H SER A 32 32.143 17.061 34.093 1.00 0.00 H new ATOM 0 HA SER A 32 31.496 19.754 33.044 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.431 20.505 35.406 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.163 19.361 35.013 1.00 0.00 H new ATOM 0 HG SER A 32 31.146 18.915 37.052 1.00 0.00 H new ATOM 495 N ARG A 33 33.729 20.823 33.989 1.00 0.00 N ATOM 496 CA ARG A 33 35.057 21.422 34.117 1.00 0.00 C ATOM 497 C ARG A 33 35.023 22.488 35.221 1.00 0.00 C ATOM 498 O ARG A 33 34.049 23.236 35.367 1.00 0.00 O ATOM 499 CB ARG A 33 35.508 22.013 32.764 1.00 0.00 C ATOM 500 CG ARG A 33 37.020 21.910 32.494 1.00 0.00 C ATOM 501 CD ARG A 33 37.623 20.486 32.466 1.00 0.00 C ATOM 502 NE ARG A 33 36.631 19.430 32.177 1.00 0.00 N ATOM 503 CZ ARG A 33 36.585 18.538 31.197 1.00 0.00 C ATOM 504 NH1 ARG A 33 37.484 18.454 30.248 1.00 0.00 N ATOM 505 NH2 ARG A 33 35.576 17.699 31.178 1.00 0.00 N ATOM 0 H ARG A 33 32.991 21.526 34.033 1.00 0.00 H new ATOM 0 HA ARG A 33 35.785 20.660 34.396 1.00 0.00 H new ATOM 0 HB2 ARG A 33 34.973 21.503 31.963 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.215 23.062 32.725 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.228 22.387 31.536 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.542 22.486 33.258 1.00 0.00 H new ATOM 0 HD2 ARG A 33 38.411 20.449 31.714 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.091 20.280 33.428 1.00 0.00 H new ATOM 0 HE ARG A 33 35.856 19.379 32.838 1.00 0.00 H new ATOM 0 HH11 ARG A 33 38.275 19.098 30.237 1.00 0.00 H new ATOM 0 HH12 ARG A 33 37.393 17.745 29.521 1.00 0.00 H new ATOM 0 HH21 ARG A 33 34.859 17.747 31.902 1.00 0.00 H new ATOM 0 HH22 ARG A 33 35.508 16.999 30.439 1.00 0.00 H new ATOM 519 N TRP A 34 36.095 22.518 36.013 1.00 0.00 N ATOM 520 CA TRP A 34 36.046 22.986 37.404 1.00 0.00 C ATOM 521 C TRP A 34 37.073 24.091 37.687 1.00 0.00 C ATOM 522 O TRP A 34 36.729 25.120 38.266 1.00 0.00 O ATOM 523 CB TRP A 34 36.295 21.769 38.320 1.00 0.00 C ATOM 524 CG TRP A 34 35.855 20.441 37.771 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.628 19.895 37.908 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.597 19.531 36.897 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.569 18.701 37.217 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.760 18.420 36.581 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.873 19.564 36.291 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.187 17.373 35.752 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.315 18.513 35.465 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.477 17.417 35.199 1.00 0.00 C ATOM 0 H TRP A 34 37.023 22.219 35.711 1.00 0.00 H new ATOM 0 HA TRP A 34 35.067 23.425 37.596 1.00 0.00 H new ATOM 0 HB2 TRP A 34 37.361 21.715 38.541 1.00 0.00 H new ATOM 0 HB3 TRP A 34 35.782 21.939 39.267 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.815 20.327 38.473 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.745 18.100 37.181 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.521 20.411 36.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.531 16.542 35.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.304 18.549 35.033 1.00 0.00 H new ATOM 0 HH2 TRP A 34 37.824 16.610 34.571 1.00 0.00 H new ATOM 543 N GLU A 35 38.314 23.884 37.242 1.00 0.00 N ATOM 544 CA GLU A 35 39.481 24.762 37.384 1.00 0.00 C ATOM 545 C GLU A 35 40.320 24.629 36.097 1.00 0.00 C ATOM 546 O GLU A 35 40.243 23.563 35.468 1.00 0.00 O ATOM 547 CB GLU A 35 40.303 24.358 38.625 1.00 0.00 C ATOM 548 CG GLU A 35 39.497 24.497 39.921 1.00 0.00 C ATOM 549 CD GLU A 35 40.394 24.468 41.153 1.00 0.00 C ATOM 550 OE1 GLU A 35 40.695 23.364 41.671 1.00 0.00 O ATOM 551 OE2 GLU A 35 40.745 25.566 41.643 1.00 0.00 O ATOM 0 H GLU A 35 38.549 23.032 36.733 1.00 0.00 H new ATOM 0 HA GLU A 35 39.173 25.798 37.523 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.639 23.327 38.517 1.00 0.00 H new ATOM 0 HB3 GLU A 35 41.196 24.980 38.686 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.937 25.432 39.902 1.00 0.00 H new ATOM 0 HG3 GLU A 35 38.768 23.689 39.984 1.00 0.00 H new ATOM 558 N PRO A 36 41.073 25.666 35.666 1.00 0.00 N ATOM 559 CA PRO A 36 41.541 25.809 34.286 1.00 0.00 C ATOM 560 C PRO A 36 42.361 24.594 33.799 1.00 0.00 C ATOM 561 O PRO A 36 43.435 24.340 34.353 1.00 0.00 O ATOM 562 CB PRO A 36 42.328 27.127 34.230 1.00 0.00 C ATOM 563 CG PRO A 36 42.591 27.485 35.691 1.00 0.00 C ATOM 564 CD PRO A 36 41.397 26.872 36.415 1.00 0.00 C ATOM 0 HA PRO A 36 40.697 25.840 33.597 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.260 27.008 33.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.757 27.908 33.728 1.00 0.00 H new ATOM 0 HG2 PRO A 36 43.534 27.069 36.045 1.00 0.00 H new ATOM 0 HG3 PRO A 36 42.643 28.564 35.839 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.643 26.638 37.451 1.00 0.00 H new ATOM 0 HD3 PRO A 36 40.553 27.561 36.436 1.00 0.00 H new ATOM 572 N PRO A 37 41.870 23.840 32.788 1.00 0.00 N ATOM 573 CA PRO A 37 42.471 22.583 32.350 1.00 0.00 C ATOM 574 C PRO A 37 43.766 22.807 31.550 1.00 0.00 C ATOM 575 O PRO A 37 44.045 23.911 31.081 1.00 0.00 O ATOM 576 CB PRO A 37 41.379 21.859 31.559 1.00 0.00 C ATOM 577 CG PRO A 37 40.504 22.974 31.014 1.00 0.00 C ATOM 578 CD PRO A 37 40.603 24.051 32.091 1.00 0.00 C ATOM 0 HA PRO A 37 42.795 21.973 33.193 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.803 21.258 30.755 1.00 0.00 H new ATOM 0 HB3 PRO A 37 40.809 21.182 32.196 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.864 23.334 30.050 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.476 22.644 30.867 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.568 25.046 31.647 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.765 23.982 32.784 1.00 0.00 H new ATOM 586 N ALA A 38 44.576 21.760 31.381 1.00 0.00 N ATOM 587 CA ALA A 38 45.911 21.845 30.774 1.00 0.00 C ATOM 588 C ALA A 38 45.908 22.209 29.272 1.00 0.00 C ATOM 589 O ALA A 38 46.900 22.736 28.763 1.00 0.00 O ATOM 590 CB ALA A 38 46.627 20.518 31.047 1.00 0.00 C ATOM 0 H ALA A 38 44.322 20.814 31.665 1.00 0.00 H new ATOM 0 HA ALA A 38 46.446 22.676 31.233 1.00 0.00 H new ATOM 0 HB1 ALA A 38 47.625 20.546 30.609 1.00 0.00 H new ATOM 0 HB2 ALA A 38 46.707 20.363 32.123 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.059 19.700 30.604 1.00 0.00 H new ATOM 596 N ASP A 39 44.797 21.981 28.566 1.00 0.00 N ATOM 597 CA ASP A 39 44.578 22.401 27.173 1.00 0.00 C ATOM 598 C ASP A 39 44.207 23.895 27.047 1.00 0.00 C ATOM 599 O ASP A 39 44.377 24.485 25.978 1.00 0.00 O ATOM 600 CB ASP A 39 43.476 21.508 26.567 1.00 0.00 C ATOM 601 CG ASP A 39 43.362 21.628 25.042 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.410 21.490 24.365 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.245 21.831 24.514 1.00 0.00 O ATOM 0 H ASP A 39 43.998 21.483 28.958 1.00 0.00 H new ATOM 0 HA ASP A 39 45.513 22.282 26.625 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.677 20.469 26.828 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.518 21.770 27.017 1.00 0.00 H new ATOM 608 N THR A 40 43.703 24.513 28.128 1.00 0.00 N ATOM 609 CA THR A 40 43.121 25.868 28.147 1.00 0.00 C ATOM 610 C THR A 40 44.168 26.968 27.977 1.00 0.00 C ATOM 611 O THR A 40 45.335 26.779 28.315 1.00 0.00 O ATOM 612 CB THR A 40 42.282 26.031 29.419 1.00 0.00 C ATOM 613 OG1 THR A 40 41.083 26.663 29.106 1.00 0.00 O ATOM 614 CG2 THR A 40 42.907 26.824 30.567 1.00 0.00 C ATOM 0 H THR A 40 43.688 24.068 29.046 1.00 0.00 H new ATOM 0 HA THR A 40 42.468 25.981 27.281 1.00 0.00 H new ATOM 0 HB THR A 40 42.171 25.008 29.778 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.247 27.367 28.445 1.00 0.00 H new ATOM 0 HG21 THR A 40 42.210 26.863 31.404 1.00 0.00 H new ATOM 0 HG22 THR A 40 43.829 26.338 30.885 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.128 27.837 30.231 1.00 0.00 H new ATOM 622 N ASP A 41 43.742 28.139 27.506 1.00 0.00 N ATOM 623 CA ASP A 41 44.596 29.203 26.967 1.00 0.00 C ATOM 624 C ASP A 41 44.646 30.397 27.927 1.00 0.00 C ATOM 625 O ASP A 41 44.381 31.529 27.538 1.00 0.00 O ATOM 626 CB ASP A 41 44.072 29.612 25.577 1.00 0.00 C ATOM 627 CG ASP A 41 45.031 30.482 24.762 1.00 0.00 C ATOM 628 OD1 ASP A 41 46.266 30.375 24.930 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.553 31.267 23.913 1.00 0.00 O ATOM 0 H ASP A 41 42.752 28.385 27.488 1.00 0.00 H new ATOM 0 HA ASP A 41 45.617 28.837 26.862 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.849 28.709 25.008 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.132 30.150 25.702 1.00 0.00 H new ATOM 634 N MET A 42 44.912 30.124 29.208 1.00 0.00 N ATOM 635 CA MET A 42 45.148 31.092 30.289 1.00 0.00 C ATOM 636 C MET A 42 45.674 32.466 29.838 1.00 0.00 C ATOM 637 O MET A 42 45.038 33.441 30.213 1.00 0.00 O ATOM 638 CB MET A 42 46.007 30.460 31.389 1.00 0.00 C ATOM 639 CG MET A 42 45.197 29.354 32.084 1.00 0.00 C ATOM 640 SD MET A 42 45.853 28.822 33.687 1.00 0.00 S ATOM 641 CE MET A 42 47.382 28.051 33.092 1.00 0.00 C ATOM 0 H MET A 42 44.973 29.162 29.541 1.00 0.00 H new ATOM 0 HA MET A 42 44.166 31.328 30.700 1.00 0.00 H new ATOM 0 HB2 MET A 42 46.920 30.046 30.962 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.308 31.217 32.113 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.175 29.706 32.225 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.148 28.489 31.422 1.00 0.00 H new ATOM 0 HE1 MET A 42 47.916 27.607 33.932 1.00 0.00 H new ATOM 0 HE2 MET A 42 47.140 27.276 32.365 1.00 0.00 H new ATOM 0 HE3 MET A 42 48.011 28.806 32.621 1.00 0.00 H new ATOM 651 N GLU A 43 46.689 32.581 28.975 1.00 0.00 N ATOM 652 CA GLU A 43 47.136 33.881 28.433 1.00 0.00 C ATOM 653 C GLU A 43 46.000 34.759 27.850 1.00 0.00 C ATOM 654 O GLU A 43 45.911 35.946 28.178 1.00 0.00 O ATOM 655 CB GLU A 43 48.238 33.645 27.387 1.00 0.00 C ATOM 656 CG GLU A 43 48.670 34.962 26.731 1.00 0.00 C ATOM 657 CD GLU A 43 50.070 34.904 26.149 1.00 0.00 C ATOM 658 OE1 GLU A 43 50.356 33.996 25.332 1.00 0.00 O ATOM 659 OE2 GLU A 43 50.879 35.800 26.480 1.00 0.00 O ATOM 0 H GLU A 43 47.225 31.784 28.631 1.00 0.00 H new ATOM 0 HA GLU A 43 47.526 34.451 29.276 1.00 0.00 H new ATOM 0 HB2 GLU A 43 49.098 33.172 27.861 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.877 32.956 26.623 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.964 35.216 25.940 1.00 0.00 H new ATOM 0 HG3 GLU A 43 48.623 35.762 27.470 1.00 0.00 H new ATOM 666 N THR A 44 45.119 34.175 27.028 1.00 0.00 N ATOM 667 CA THR A 44 43.856 34.768 26.538 1.00 0.00 C ATOM 668 C THR A 44 42.843 34.928 27.654 1.00 0.00 C ATOM 669 O THR A 44 42.058 35.869 27.689 1.00 0.00 O ATOM 670 CB THR A 44 43.252 33.843 25.472 1.00 0.00 C ATOM 671 OG1 THR A 44 44.182 33.766 24.424 1.00 0.00 O ATOM 672 CG2 THR A 44 41.929 34.354 24.893 1.00 0.00 C ATOM 0 H THR A 44 45.269 33.233 26.667 1.00 0.00 H new ATOM 0 HA THR A 44 44.084 35.752 26.129 1.00 0.00 H new ATOM 0 HB THR A 44 43.042 32.882 25.941 1.00 0.00 H new ATOM 0 HG1 THR A 44 44.073 32.914 23.952 1.00 0.00 H new ATOM 0 HG21 THR A 44 41.562 33.649 24.147 1.00 0.00 H new ATOM 0 HG22 THR A 44 41.195 34.450 25.693 1.00 0.00 H new ATOM 0 HG23 THR A 44 42.087 35.326 24.427 1.00 0.00 H new ATOM 680 N LEU A 45 42.808 33.945 28.540 1.00 0.00 N ATOM 681 CA LEU A 45 41.645 33.590 29.335 1.00 0.00 C ATOM 682 C LEU A 45 41.683 34.283 30.703 1.00 0.00 C ATOM 683 O LEU A 45 40.636 34.465 31.307 1.00 0.00 O ATOM 684 CB LEU A 45 41.667 32.055 29.344 1.00 0.00 C ATOM 685 CG LEU A 45 40.576 31.268 30.061 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.160 31.358 29.521 1.00 0.00 C ATOM 687 CD2 LEU A 45 40.998 29.810 30.247 1.00 0.00 C ATOM 0 H LEU A 45 43.616 33.353 28.731 1.00 0.00 H new ATOM 0 HA LEU A 45 40.691 33.935 28.937 1.00 0.00 H new ATOM 0 HB2 LEU A 45 41.669 31.728 28.304 1.00 0.00 H new ATOM 0 HB3 LEU A 45 42.620 31.750 29.776 1.00 0.00 H new ATOM 0 HG LEU A 45 40.496 31.782 31.019 1.00 0.00 H new ATOM 0 HD11 LEU A 45 38.497 30.746 30.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 38.825 32.395 29.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.139 30.997 28.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 40.206 29.265 30.761 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.178 29.356 29.272 1.00 0.00 H new ATOM 0 HD23 LEU A 45 41.911 29.768 30.841 1.00 0.00 H new ATOM 699 N LYS A 46 42.827 34.808 31.154 1.00 0.00 N ATOM 700 CA LYS A 46 42.897 35.813 32.225 1.00 0.00 C ATOM 701 C LYS A 46 42.111 37.093 31.872 1.00 0.00 C ATOM 702 O LYS A 46 41.560 37.724 32.774 1.00 0.00 O ATOM 703 CB LYS A 46 44.369 36.153 32.545 1.00 0.00 C ATOM 704 CG LYS A 46 44.954 35.431 33.773 1.00 0.00 C ATOM 705 CD LYS A 46 45.364 33.964 33.559 1.00 0.00 C ATOM 706 CE LYS A 46 44.259 32.941 33.873 1.00 0.00 C ATOM 707 NZ LYS A 46 44.107 32.779 35.340 1.00 0.00 N ATOM 0 H LYS A 46 43.740 34.546 30.783 1.00 0.00 H new ATOM 0 HA LYS A 46 42.430 35.381 33.110 1.00 0.00 H new ATOM 0 HB2 LYS A 46 44.979 35.910 31.675 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.451 37.229 32.702 1.00 0.00 H new ATOM 0 HG2 LYS A 46 45.828 35.986 34.114 1.00 0.00 H new ATOM 0 HG3 LYS A 46 44.219 35.469 34.577 1.00 0.00 H new ATOM 0 HD2 LYS A 46 45.677 33.835 32.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.231 33.747 34.184 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.316 33.270 33.437 1.00 0.00 H new ATOM 0 HE3 LYS A 46 44.503 31.981 33.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 43.358 32.085 35.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.004 32.445 35.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 43.853 33.693 35.766 1.00 0.00 H new ATOM 721 N MET A 47 41.970 37.452 30.586 1.00 0.00 N ATOM 722 CA MET A 47 41.096 38.562 30.145 1.00 0.00 C ATOM 723 C MET A 47 39.606 38.279 30.408 1.00 0.00 C ATOM 724 O MET A 47 38.794 39.204 30.400 1.00 0.00 O ATOM 725 CB MET A 47 41.306 38.872 28.651 1.00 0.00 C ATOM 726 CG MET A 47 42.773 39.086 28.263 1.00 0.00 C ATOM 727 SD MET A 47 43.587 40.445 29.137 1.00 0.00 S ATOM 728 CE MET A 47 45.283 39.989 28.706 1.00 0.00 C ATOM 0 H MET A 47 42.456 36.985 29.820 1.00 0.00 H new ATOM 0 HA MET A 47 41.382 39.430 30.739 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.899 38.052 28.059 1.00 0.00 H new ATOM 0 HB3 MET A 47 40.737 39.765 28.392 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.325 38.165 28.454 1.00 0.00 H new ATOM 0 HG3 MET A 47 42.829 39.275 27.191 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.976 40.705 29.148 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.500 38.991 29.088 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.397 39.995 27.622 1.00 0.00 H new ATOM 738 N TYR A 48 39.255 37.012 30.653 1.00 0.00 N ATOM 739 CA TYR A 48 37.908 36.534 30.968 1.00 0.00 C ATOM 740 C TYR A 48 37.738 36.172 32.458 1.00 0.00 C ATOM 741 O TYR A 48 36.743 36.532 33.083 1.00 0.00 O ATOM 742 CB TYR A 48 37.658 35.311 30.071 1.00 0.00 C ATOM 743 CG TYR A 48 36.480 34.475 30.502 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.168 34.962 30.379 1.00 0.00 C ATOM 745 CD2 TYR A 48 36.713 33.193 31.030 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.084 34.155 30.773 1.00 0.00 C ATOM 747 CE2 TYR A 48 35.637 32.365 31.372 1.00 0.00 C ATOM 748 CZ TYR A 48 34.313 32.852 31.260 1.00 0.00 C ATOM 749 OH TYR A 48 33.263 32.072 31.631 1.00 0.00 O ATOM 0 H TYR A 48 39.939 36.255 30.636 1.00 0.00 H new ATOM 0 HA TYR A 48 37.181 37.324 30.780 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.497 35.649 29.047 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.552 34.687 30.064 1.00 0.00 H new ATOM 0 HD1 TYR A 48 34.992 35.952 29.984 1.00 0.00 H new ATOM 0 HD2 TYR A 48 37.726 32.846 31.172 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.075 34.535 30.702 1.00 0.00 H new ATOM 0 HE2 TYR A 48 35.817 31.359 31.720 1.00 0.00 H new ATOM 0 HH TYR A 48 33.533 31.492 32.374 1.00 0.00 H new ATOM 759 N MET A 49 38.712 35.465 33.037 1.00 0.00 N ATOM 760 CA MET A 49 38.705 34.960 34.417 1.00 0.00 C ATOM 761 C MET A 49 39.045 36.035 35.470 1.00 0.00 C ATOM 762 O MET A 49 38.910 35.772 36.668 1.00 0.00 O ATOM 763 CB MET A 49 39.654 33.746 34.512 1.00 0.00 C ATOM 764 CG MET A 49 39.179 32.556 33.671 1.00 0.00 C ATOM 765 SD MET A 49 40.146 31.043 33.922 1.00 0.00 S ATOM 766 CE MET A 49 38.890 30.095 34.820 1.00 0.00 C ATOM 0 H MET A 49 39.566 35.217 32.537 1.00 0.00 H new ATOM 0 HA MET A 49 37.687 34.652 34.653 1.00 0.00 H new ATOM 0 HB2 MET A 49 40.650 34.043 34.184 1.00 0.00 H new ATOM 0 HB3 MET A 49 39.740 33.438 35.554 1.00 0.00 H new ATOM 0 HG2 MET A 49 38.135 32.351 33.907 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.219 32.830 32.617 1.00 0.00 H new ATOM 0 HE1 MET A 49 39.288 29.113 35.074 1.00 0.00 H new ATOM 0 HE2 MET A 49 38.619 30.624 35.734 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.006 29.977 34.193 1.00 0.00 H new ATOM 776 N ALA A 50 39.464 37.236 35.057 1.00 0.00 N ATOM 777 CA ALA A 50 39.733 38.382 35.930 1.00 0.00 C ATOM 778 C ALA A 50 39.052 39.669 35.422 1.00 0.00 C ATOM 779 O ALA A 50 38.840 39.820 34.213 1.00 0.00 O ATOM 780 CB ALA A 50 41.254 38.562 36.034 1.00 0.00 C ATOM 0 H ALA A 50 39.631 37.443 34.072 1.00 0.00 H new ATOM 0 HA ALA A 50 39.312 38.187 36.916 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.477 39.411 36.680 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.699 37.660 36.454 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.668 38.743 35.042 1.00 0.00 H new ATOM 786 N THR A 51 38.752 40.614 36.327 1.00 0.00 N ATOM 787 CA THR A 51 38.117 41.907 36.006 1.00 0.00 C ATOM 788 C THR A 51 39.136 42.929 35.499 1.00 0.00 C ATOM 789 O THR A 51 38.991 43.440 34.389 1.00 0.00 O ATOM 790 CB THR A 51 37.258 42.408 37.188 1.00 0.00 C ATOM 791 OG1 THR A 51 36.660 43.636 36.839 1.00 0.00 O ATOM 792 CG2 THR A 51 37.978 42.623 38.521 1.00 0.00 C ATOM 0 H THR A 51 38.947 40.501 37.322 1.00 0.00 H new ATOM 0 HA THR A 51 37.428 41.759 35.175 1.00 0.00 H new ATOM 0 HB THR A 51 36.548 41.598 37.355 1.00 0.00 H new ATOM 0 HG1 THR A 51 36.113 43.957 37.586 1.00 0.00 H new ATOM 0 HG21 THR A 51 37.265 42.975 39.267 1.00 0.00 H new ATOM 0 HG22 THR A 51 38.417 41.682 38.853 1.00 0.00 H new ATOM 0 HG23 THR A 51 38.766 43.366 38.393 1.00 0.00 H new