USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=14 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= 0.763 USER MOD Set 1.2: A 48 TYR OH : rot -164:sc= 0.867 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -143:sc= 0.403 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.28 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00339) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0779 K(o=-0.078,f=-2.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 25:sc= 1.01 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 105:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -122:sc= 0 (180deg=-0.0379) USER MOD Single : A 49 MET CE :methyl 165:sc= 0 (180deg=-0.162) USER MOD Single : A 51 THR OG1 : rot 61:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 31.171 36.177 27.179 1.00 0.00 N ATOM 30 CA VAL A 3 32.535 36.083 27.717 1.00 0.00 C ATOM 31 C VAL A 3 33.440 35.317 26.753 1.00 0.00 C ATOM 32 O VAL A 3 33.139 34.198 26.341 1.00 0.00 O ATOM 33 CB VAL A 3 32.592 35.483 29.142 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.992 36.461 30.165 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.901 34.118 29.285 1.00 0.00 C ATOM 0 HA VAL A 3 32.905 37.104 27.811 1.00 0.00 H new ATOM 0 HB VAL A 3 33.652 35.319 29.338 1.00 0.00 H new ATOM 0 HG11 VAL A 3 32.041 36.021 31.161 1.00 0.00 H new ATOM 0 HG12 VAL A 3 32.557 37.393 30.152 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.952 36.663 29.909 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.989 33.772 30.315 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.847 34.214 29.023 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.376 33.398 28.618 1.00 0.00 H new ATOM 45 N ASN A 4 34.572 35.934 26.408 1.00 0.00 N ATOM 46 CA ASN A 4 35.682 35.262 25.734 1.00 0.00 C ATOM 47 C ASN A 4 36.487 34.447 26.759 1.00 0.00 C ATOM 48 O ASN A 4 36.843 34.982 27.811 1.00 0.00 O ATOM 49 CB ASN A 4 36.597 36.301 25.073 1.00 0.00 C ATOM 50 CG ASN A 4 35.898 37.142 24.007 1.00 0.00 C ATOM 51 OD1 ASN A 4 35.719 38.343 24.168 1.00 0.00 O ATOM 52 ND2 ASN A 4 35.530 36.573 22.878 1.00 0.00 N ATOM 0 H ASN A 4 34.744 36.923 26.591 1.00 0.00 H new ATOM 0 HA ASN A 4 35.285 34.595 24.968 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.996 36.963 25.842 1.00 0.00 H new ATOM 0 HB3 ASN A 4 37.446 35.789 24.621 1.00 0.00 H new ATOM 0 HD21 ASN A 4 35.098 37.132 22.142 1.00 0.00 H new ATOM 0 HD22 ASN A 4 35.677 35.573 22.739 1.00 0.00 H new ATOM 59 N THR A 5 36.800 33.184 26.446 1.00 0.00 N ATOM 60 CA THR A 5 37.574 32.239 27.268 1.00 0.00 C ATOM 61 C THR A 5 38.624 31.584 26.392 1.00 0.00 C ATOM 62 O THR A 5 38.377 31.198 25.253 1.00 0.00 O ATOM 63 CB THR A 5 36.697 31.133 27.861 1.00 0.00 C ATOM 64 OG1 THR A 5 36.038 30.380 26.872 1.00 0.00 O ATOM 65 CG2 THR A 5 35.714 31.701 28.863 1.00 0.00 C ATOM 0 H THR A 5 36.504 32.768 25.563 1.00 0.00 H new ATOM 0 HA THR A 5 38.019 32.801 28.089 1.00 0.00 H new ATOM 0 HB THR A 5 37.362 30.446 28.384 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.143 30.137 27.188 1.00 0.00 H new ATOM 0 HG21 THR A 5 35.103 30.895 29.270 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.259 32.187 29.672 1.00 0.00 H new ATOM 0 HG23 THR A 5 35.072 32.430 28.369 1.00 0.00 H new ATOM 73 N GLY A 6 39.778 31.335 26.990 1.00 0.00 N ATOM 74 CA GLY A 6 40.701 30.306 26.517 1.00 0.00 C ATOM 75 C GLY A 6 40.329 28.888 26.975 1.00 0.00 C ATOM 76 O GLY A 6 41.138 27.977 26.825 1.00 0.00 O ATOM 0 H GLY A 6 40.104 31.837 27.816 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.732 30.330 25.428 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.705 30.541 26.870 1.00 0.00 H new ATOM 80 N LEU A 7 39.155 28.669 27.586 1.00 0.00 N ATOM 81 CA LEU A 7 38.726 27.340 28.051 1.00 0.00 C ATOM 82 C LEU A 7 38.600 26.362 26.865 1.00 0.00 C ATOM 83 O LEU A 7 38.443 26.833 25.729 1.00 0.00 O ATOM 84 CB LEU A 7 37.438 27.454 28.892 1.00 0.00 C ATOM 85 CG LEU A 7 37.722 27.897 30.344 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.414 28.288 31.040 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.406 26.796 31.177 1.00 0.00 C ATOM 0 H LEU A 7 38.476 29.407 27.772 1.00 0.00 H new ATOM 0 HA LEU A 7 39.488 26.922 28.709 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.762 28.169 28.422 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.927 26.491 28.902 1.00 0.00 H new ATOM 0 HG LEU A 7 38.399 28.749 30.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.625 28.599 32.063 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.946 29.111 30.500 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.739 27.432 31.053 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.582 27.162 32.189 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.763 25.917 31.216 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.358 26.530 30.717 1.00 0.00 H new ATOM 99 N PRO A 8 38.718 25.035 27.081 1.00 0.00 N ATOM 100 CA PRO A 8 38.822 24.092 25.963 1.00 0.00 C ATOM 101 C PRO A 8 37.500 23.958 25.187 1.00 0.00 C ATOM 102 O PRO A 8 36.497 24.588 25.518 1.00 0.00 O ATOM 103 CB PRO A 8 39.287 22.780 26.599 1.00 0.00 C ATOM 104 CG PRO A 8 38.640 22.844 27.976 1.00 0.00 C ATOM 105 CD PRO A 8 38.824 24.311 28.357 1.00 0.00 C ATOM 0 HA PRO A 8 39.527 24.431 25.204 1.00 0.00 H new ATOM 0 HB2 PRO A 8 38.952 21.911 26.032 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.374 22.720 26.662 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.588 22.562 27.944 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.128 22.176 28.686 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.061 24.637 29.064 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.791 24.480 28.831 1.00 0.00 H new ATOM 113 N ALA A 9 37.494 23.133 24.136 1.00 0.00 N ATOM 114 CA ALA A 9 36.319 22.864 23.298 1.00 0.00 C ATOM 115 C ALA A 9 35.100 22.380 24.106 1.00 0.00 C ATOM 116 O ALA A 9 33.965 22.802 23.862 1.00 0.00 O ATOM 117 CB ALA A 9 36.740 21.815 22.267 1.00 0.00 C ATOM 0 H ALA A 9 38.324 22.621 23.836 1.00 0.00 H new ATOM 0 HA ALA A 9 35.997 23.789 22.820 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.895 21.582 21.619 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.562 22.205 21.666 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.064 20.910 22.780 1.00 0.00 H new ATOM 123 N GLY A 10 35.346 21.528 25.107 1.00 0.00 N ATOM 124 CA GLY A 10 34.358 21.039 26.063 1.00 0.00 C ATOM 125 C GLY A 10 34.127 22.037 27.194 1.00 0.00 C ATOM 126 O GLY A 10 34.469 21.741 28.333 1.00 0.00 O ATOM 0 H GLY A 10 36.277 21.148 25.276 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.417 20.848 25.548 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.693 20.089 26.479 1.00 0.00 H new ATOM 130 N TRP A 11 33.528 23.192 26.894 1.00 0.00 N ATOM 131 CA TRP A 11 33.085 24.173 27.891 1.00 0.00 C ATOM 132 C TRP A 11 31.756 24.886 27.530 1.00 0.00 C ATOM 133 O TRP A 11 31.352 24.929 26.367 1.00 0.00 O ATOM 134 CB TRP A 11 34.213 25.202 28.114 1.00 0.00 C ATOM 135 CG TRP A 11 34.007 26.508 27.408 1.00 0.00 C ATOM 136 CD1 TRP A 11 34.013 26.674 26.068 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.527 27.774 27.957 1.00 0.00 C ATOM 138 NE1 TRP A 11 33.574 27.944 25.750 1.00 0.00 N ATOM 139 CE2 TRP A 11 33.205 28.644 26.876 1.00 0.00 C ATOM 140 CE3 TRP A 11 33.252 28.239 29.260 1.00 0.00 C ATOM 141 CZ2 TRP A 11 32.610 29.897 27.074 1.00 0.00 C ATOM 142 CZ3 TRP A 11 32.664 29.499 29.473 1.00 0.00 C ATOM 143 CH2 TRP A 11 32.325 30.318 28.383 1.00 0.00 C ATOM 0 H TRP A 11 33.333 23.478 25.934 1.00 0.00 H new ATOM 0 HA TRP A 11 32.874 23.625 28.809 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.309 25.392 29.183 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.156 24.768 27.781 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.316 25.925 25.351 1.00 0.00 H new ATOM 0 HE1 TRP A 11 33.529 28.316 24.801 1.00 0.00 H new ATOM 0 HE3 TRP A 11 33.497 27.617 30.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 32.374 30.530 26.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.472 29.839 30.480 1.00 0.00 H new ATOM 0 HH2 TRP A 11 31.845 31.271 28.552 1.00 0.00 H new ATOM 154 N GLU A 12 31.158 25.518 28.546 1.00 0.00 N ATOM 155 CA GLU A 12 30.081 26.524 28.565 1.00 0.00 C ATOM 156 C GLU A 12 29.759 26.782 30.049 1.00 0.00 C ATOM 157 O GLU A 12 29.789 25.837 30.831 1.00 0.00 O ATOM 158 CB GLU A 12 28.839 26.077 27.764 1.00 0.00 C ATOM 159 CG GLU A 12 27.639 27.031 27.858 1.00 0.00 C ATOM 160 CD GLU A 12 27.975 28.456 27.420 1.00 0.00 C ATOM 161 OE1 GLU A 12 28.419 29.266 28.267 1.00 0.00 O ATOM 162 OE2 GLU A 12 27.785 28.807 26.233 1.00 0.00 O ATOM 0 H GLU A 12 31.455 25.311 29.500 1.00 0.00 H new ATOM 0 HA GLU A 12 30.403 27.441 28.073 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.119 25.969 26.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.532 25.092 28.115 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.828 26.648 27.239 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.275 27.049 28.885 1.00 0.00 H new ATOM 169 N VAL A 13 29.489 28.021 30.473 1.00 0.00 N ATOM 170 CA VAL A 13 29.300 28.349 31.907 1.00 0.00 C ATOM 171 C VAL A 13 27.888 28.020 32.393 1.00 0.00 C ATOM 172 O VAL A 13 26.913 28.236 31.671 1.00 0.00 O ATOM 173 CB VAL A 13 29.690 29.804 32.249 1.00 0.00 C ATOM 174 CG1 VAL A 13 28.751 30.860 31.637 1.00 0.00 C ATOM 175 CG2 VAL A 13 29.825 30.038 33.759 1.00 0.00 C ATOM 0 H VAL A 13 29.394 28.822 29.848 1.00 0.00 H new ATOM 0 HA VAL A 13 29.992 27.706 32.451 1.00 0.00 H new ATOM 0 HB VAL A 13 30.669 29.935 31.787 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.089 31.856 31.921 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.761 30.770 30.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 27.737 30.702 32.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.100 31.076 33.943 1.00 0.00 H new ATOM 0 HG22 VAL A 13 28.874 29.823 34.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.596 29.381 34.161 1.00 0.00 H new ATOM 185 N ARG A 14 27.785 27.517 33.626 1.00 0.00 N ATOM 186 CA ARG A 14 26.529 27.141 34.268 1.00 0.00 C ATOM 187 C ARG A 14 26.529 27.473 35.764 1.00 0.00 C ATOM 188 O ARG A 14 27.085 26.749 36.587 1.00 0.00 O ATOM 189 CB ARG A 14 26.286 25.640 34.065 1.00 0.00 C ATOM 190 CG ARG A 14 25.913 25.216 32.635 1.00 0.00 C ATOM 191 CD ARG A 14 24.584 25.810 32.155 1.00 0.00 C ATOM 192 NE ARG A 14 23.454 25.330 32.965 1.00 0.00 N ATOM 193 CZ ARG A 14 22.749 26.001 33.868 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.949 27.265 34.179 1.00 0.00 N ATOM 195 NH2 ARG A 14 21.787 25.390 34.512 1.00 0.00 N ATOM 0 H ARG A 14 28.599 27.357 34.220 1.00 0.00 H new ATOM 0 HA ARG A 14 25.727 27.717 33.806 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.186 25.101 34.362 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.489 25.325 34.738 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.707 25.522 31.954 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.855 24.129 32.589 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.632 26.898 32.204 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.422 25.545 31.110 1.00 0.00 H new ATOM 0 HE ARG A 14 23.177 24.360 32.814 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.687 27.794 33.714 1.00 0.00 H new ATOM 0 HH12 ARG A 14 22.366 27.715 34.885 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.586 24.409 34.318 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.238 25.895 35.208 1.00 0.00 H new ATOM 209 N HIS A 15 25.854 28.561 36.132 1.00 0.00 N ATOM 210 CA HIS A 15 25.668 28.977 37.527 1.00 0.00 C ATOM 211 C HIS A 15 24.671 28.059 38.275 1.00 0.00 C ATOM 212 O HIS A 15 23.479 28.034 37.960 1.00 0.00 O ATOM 213 CB HIS A 15 25.273 30.462 37.534 1.00 0.00 C ATOM 214 CG HIS A 15 26.445 31.373 37.268 1.00 0.00 C ATOM 215 ND1 HIS A 15 27.292 31.883 38.254 1.00 0.00 N ATOM 216 CD2 HIS A 15 26.863 31.819 36.046 1.00 0.00 C ATOM 217 CE1 HIS A 15 28.189 32.642 37.600 1.00 0.00 C ATOM 218 NE2 HIS A 15 27.965 32.618 36.273 1.00 0.00 N ATOM 0 H HIS A 15 25.413 29.190 35.461 1.00 0.00 H new ATOM 0 HA HIS A 15 26.599 28.869 38.083 1.00 0.00 H new ATOM 0 HB2 HIS A 15 24.505 30.634 36.780 1.00 0.00 H new ATOM 0 HB3 HIS A 15 24.834 30.713 38.499 1.00 0.00 H new ATOM 0 HD2 HIS A 15 26.418 31.591 35.089 1.00 0.00 H new ATOM 0 HE1 HIS A 15 28.984 33.197 38.076 1.00 0.00 H new ATOM 0 HE2 HIS A 15 28.512 33.104 35.562 1.00 0.00 H new ATOM 226 N SER A 16 25.161 27.291 39.252 1.00 0.00 N ATOM 227 CA SER A 16 24.437 26.175 39.889 1.00 0.00 C ATOM 228 C SER A 16 23.109 26.566 40.577 1.00 0.00 C ATOM 229 O SER A 16 22.926 27.684 41.068 1.00 0.00 O ATOM 230 CB SER A 16 25.388 25.447 40.864 1.00 0.00 C ATOM 231 OG SER A 16 24.753 24.431 41.628 1.00 0.00 O ATOM 0 H SER A 16 26.096 27.428 39.636 1.00 0.00 H new ATOM 0 HA SER A 16 24.129 25.505 39.087 1.00 0.00 H new ATOM 0 HB2 SER A 16 26.207 25.005 40.297 1.00 0.00 H new ATOM 0 HB3 SER A 16 25.828 26.178 41.542 1.00 0.00 H new ATOM 0 HG SER A 16 25.409 24.010 42.222 1.00 0.00 H new ATOM 237 N ASN A 17 22.167 25.618 40.631 1.00 0.00 N ATOM 238 CA ASN A 17 20.973 25.665 41.480 1.00 0.00 C ATOM 239 C ASN A 17 21.323 25.405 42.962 1.00 0.00 C ATOM 240 O ASN A 17 20.743 26.026 43.852 1.00 0.00 O ATOM 241 CB ASN A 17 19.966 24.623 40.958 1.00 0.00 C ATOM 242 CG ASN A 17 18.614 24.691 41.669 1.00 0.00 C ATOM 243 OD1 ASN A 17 18.455 24.244 42.803 1.00 0.00 O ATOM 244 ND2 ASN A 17 17.597 25.241 41.035 1.00 0.00 N ATOM 0 H ASN A 17 22.217 24.770 40.067 1.00 0.00 H new ATOM 0 HA ASN A 17 20.533 26.661 41.433 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.816 24.774 39.889 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.386 23.625 41.083 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.684 25.294 41.486 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.724 25.613 40.094 1.00 0.00 H new ATOM 251 N SER A 18 22.276 24.510 43.242 1.00 0.00 N ATOM 252 CA SER A 18 22.626 24.112 44.617 1.00 0.00 C ATOM 253 C SER A 18 23.662 25.037 45.277 1.00 0.00 C ATOM 254 O SER A 18 23.663 25.185 46.501 1.00 0.00 O ATOM 255 CB SER A 18 23.083 22.641 44.656 1.00 0.00 C ATOM 256 OG SER A 18 23.048 22.153 45.990 1.00 0.00 O ATOM 0 H SER A 18 22.828 24.039 42.525 1.00 0.00 H new ATOM 0 HA SER A 18 21.717 24.215 45.210 1.00 0.00 H new ATOM 0 HB2 SER A 18 22.436 22.034 44.022 1.00 0.00 H new ATOM 0 HB3 SER A 18 24.093 22.555 44.256 1.00 0.00 H new ATOM 0 HG SER A 18 23.339 21.217 46.004 1.00 0.00 H new ATOM 262 N LYS A 19 24.500 25.729 44.497 1.00 0.00 N ATOM 263 CA LYS A 19 25.512 26.673 44.999 1.00 0.00 C ATOM 264 C LYS A 19 25.506 27.997 44.213 1.00 0.00 C ATOM 265 O LYS A 19 25.182 28.025 43.026 1.00 0.00 O ATOM 266 CB LYS A 19 26.904 26.012 44.945 1.00 0.00 C ATOM 267 CG LYS A 19 26.995 24.756 45.833 1.00 0.00 C ATOM 268 CD LYS A 19 28.419 24.183 45.897 1.00 0.00 C ATOM 269 CE LYS A 19 29.366 25.025 46.765 1.00 0.00 C ATOM 270 NZ LYS A 19 29.097 24.847 48.213 1.00 0.00 N ATOM 0 H LYS A 19 24.496 25.649 43.480 1.00 0.00 H new ATOM 0 HA LYS A 19 25.266 26.918 46.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 27.135 25.742 43.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 27.658 26.733 45.262 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.660 25.002 46.841 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.317 23.994 45.449 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.379 23.168 46.292 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.824 24.116 44.887 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.398 24.747 46.551 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.259 26.078 46.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.779 25.406 48.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.132 25.168 48.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.191 23.842 48.463 1.00 0.00 H new ATOM 284 N ASN A 20 25.936 29.093 44.843 1.00 0.00 N ATOM 285 CA ASN A 20 26.064 30.419 44.214 1.00 0.00 C ATOM 286 C ASN A 20 27.374 30.533 43.391 1.00 0.00 C ATOM 287 O ASN A 20 28.200 31.421 43.610 1.00 0.00 O ATOM 288 CB ASN A 20 25.906 31.503 45.299 1.00 0.00 C ATOM 289 CG ASN A 20 24.510 31.495 45.921 1.00 0.00 C ATOM 290 OD1 ASN A 20 24.339 31.190 47.097 1.00 0.00 O ATOM 291 ND2 ASN A 20 23.472 31.789 45.160 1.00 0.00 N ATOM 0 H ASN A 20 26.212 29.088 45.825 1.00 0.00 H new ATOM 0 HA ASN A 20 25.268 30.569 43.485 1.00 0.00 H new ATOM 0 HB2 ASN A 20 26.651 31.346 46.079 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.103 32.483 44.863 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.530 31.762 45.550 1.00 0.00 H new ATOM 0 HD22 ASN A 20 23.612 32.043 44.182 1.00 0.00 H new ATOM 298 N LEU A 21 27.602 29.574 42.482 1.00 0.00 N ATOM 299 CA LEU A 21 28.917 29.230 41.924 1.00 0.00 C ATOM 300 C LEU A 21 28.752 28.596 40.520 1.00 0.00 C ATOM 301 O LEU A 21 27.868 27.744 40.361 1.00 0.00 O ATOM 302 CB LEU A 21 29.584 28.257 42.931 1.00 0.00 C ATOM 303 CG LEU A 21 31.121 28.127 42.970 1.00 0.00 C ATOM 304 CD1 LEU A 21 31.724 27.438 41.743 1.00 0.00 C ATOM 305 CD2 LEU A 21 31.818 29.465 43.253 1.00 0.00 C ATOM 0 H LEU A 21 26.851 28.998 42.103 1.00 0.00 H new ATOM 0 HA LEU A 21 29.544 30.111 41.789 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.257 28.548 43.929 1.00 0.00 H new ATOM 0 HB3 LEU A 21 29.179 27.263 42.740 1.00 0.00 H new ATOM 0 HG LEU A 21 31.315 27.463 43.813 1.00 0.00 H new ATOM 0 HD11 LEU A 21 32.808 27.387 41.850 1.00 0.00 H new ATOM 0 HD12 LEU A 21 31.320 26.429 41.657 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.474 28.006 40.847 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.898 29.316 43.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 31.562 30.181 42.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.490 29.849 44.219 1.00 0.00 H new ATOM 317 N PRO A 22 29.556 28.986 39.509 1.00 0.00 N ATOM 318 CA PRO A 22 29.550 28.358 38.192 1.00 0.00 C ATOM 319 C PRO A 22 30.386 27.073 38.147 1.00 0.00 C ATOM 320 O PRO A 22 31.558 27.069 38.519 1.00 0.00 O ATOM 321 CB PRO A 22 30.103 29.412 37.227 1.00 0.00 C ATOM 322 CG PRO A 22 31.048 30.232 38.107 1.00 0.00 C ATOM 323 CD PRO A 22 30.404 30.172 39.495 1.00 0.00 C ATOM 0 HA PRO A 22 28.541 28.047 37.922 1.00 0.00 H new ATOM 0 HB2 PRO A 22 30.629 28.954 36.389 1.00 0.00 H new ATOM 0 HB3 PRO A 22 29.309 30.028 36.806 1.00 0.00 H new ATOM 0 HG2 PRO A 22 32.053 29.811 38.114 1.00 0.00 H new ATOM 0 HG3 PRO A 22 31.135 31.259 37.751 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.165 30.114 40.273 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.818 31.070 39.689 1.00 0.00 H new ATOM 331 N TYR A 23 29.803 26.006 37.598 1.00 0.00 N ATOM 332 CA TYR A 23 30.561 24.935 36.934 1.00 0.00 C ATOM 333 C TYR A 23 30.592 25.173 35.413 1.00 0.00 C ATOM 334 O TYR A 23 29.800 25.956 34.886 1.00 0.00 O ATOM 335 CB TYR A 23 29.966 23.555 37.279 1.00 0.00 C ATOM 336 CG TYR A 23 28.544 23.301 36.800 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.306 22.753 35.520 1.00 0.00 C ATOM 338 CD2 TYR A 23 27.455 23.608 37.637 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.988 22.555 35.065 1.00 0.00 C ATOM 340 CE2 TYR A 23 26.134 23.401 37.192 1.00 0.00 C ATOM 341 CZ TYR A 23 25.898 22.886 35.901 1.00 0.00 C ATOM 342 OH TYR A 23 24.621 22.767 35.447 1.00 0.00 O ATOM 0 H TYR A 23 28.794 25.857 37.599 1.00 0.00 H new ATOM 0 HA TYR A 23 31.588 24.949 37.298 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.613 22.787 36.856 1.00 0.00 H new ATOM 0 HB3 TYR A 23 29.991 23.432 38.362 1.00 0.00 H new ATOM 0 HD1 TYR A 23 29.139 22.485 34.887 1.00 0.00 H new ATOM 0 HD2 TYR A 23 27.633 24.004 38.626 1.00 0.00 H new ATOM 0 HE1 TYR A 23 26.811 22.151 34.079 1.00 0.00 H new ATOM 0 HE2 TYR A 23 25.303 23.637 37.840 1.00 0.00 H new ATOM 0 HH TYR A 23 23.997 23.036 36.153 1.00 0.00 H new ATOM 352 N TYR A 24 31.470 24.479 34.685 1.00 0.00 N ATOM 353 CA TYR A 24 31.451 24.471 33.218 1.00 0.00 C ATOM 354 C TYR A 24 30.889 23.140 32.690 1.00 0.00 C ATOM 355 O TYR A 24 31.322 22.069 33.114 1.00 0.00 O ATOM 356 CB TYR A 24 32.863 24.745 32.682 1.00 0.00 C ATOM 357 CG TYR A 24 33.447 26.069 33.139 1.00 0.00 C ATOM 358 CD1 TYR A 24 32.850 27.269 32.713 1.00 0.00 C ATOM 359 CD2 TYR A 24 34.562 26.113 34.002 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.344 28.508 33.155 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.077 27.352 34.435 1.00 0.00 C ATOM 362 CZ TYR A 24 34.463 28.554 34.015 1.00 0.00 C ATOM 363 OH TYR A 24 34.950 29.761 34.412 1.00 0.00 O ATOM 0 H TYR A 24 32.211 23.909 35.092 1.00 0.00 H new ATOM 0 HA TYR A 24 30.792 25.262 32.861 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.524 23.939 32.999 1.00 0.00 H new ATOM 0 HB3 TYR A 24 32.837 24.727 31.592 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.005 27.238 32.041 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.023 25.194 34.332 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.868 29.424 32.837 1.00 0.00 H new ATOM 0 HE2 TYR A 24 35.938 27.383 35.086 1.00 0.00 H new ATOM 0 HH TYR A 24 35.721 29.625 35.002 1.00 0.00 H new ATOM 373 N PHE A 25 29.919 23.188 31.775 1.00 0.00 N ATOM 374 CA PHE A 25 29.354 22.016 31.099 1.00 0.00 C ATOM 375 C PHE A 25 30.165 21.680 29.843 1.00 0.00 C ATOM 376 O PHE A 25 30.531 22.583 29.092 1.00 0.00 O ATOM 377 CB PHE A 25 27.892 22.315 30.737 1.00 0.00 C ATOM 378 CG PHE A 25 27.148 21.138 30.134 1.00 0.00 C ATOM 379 CD1 PHE A 25 26.516 20.205 30.978 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.088 20.967 28.734 1.00 0.00 C ATOM 381 CE1 PHE A 25 25.813 19.118 30.429 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.390 19.875 28.187 1.00 0.00 C ATOM 383 CZ PHE A 25 25.750 18.954 29.035 1.00 0.00 C ATOM 0 H PHE A 25 29.493 24.065 31.475 1.00 0.00 H new ATOM 0 HA PHE A 25 29.396 21.152 31.762 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.367 22.642 31.634 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.866 23.146 30.032 1.00 0.00 H new ATOM 0 HD1 PHE A 25 26.571 20.325 32.050 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.578 21.675 28.082 1.00 0.00 H new ATOM 0 HE1 PHE A 25 25.321 18.409 31.079 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.346 19.744 27.116 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.209 18.119 28.614 1.00 0.00 H new ATOM 393 N ASN A 26 30.409 20.396 29.572 1.00 0.00 N ATOM 394 CA ASN A 26 31.168 19.969 28.398 1.00 0.00 C ATOM 395 C ASN A 26 30.195 19.523 27.275 1.00 0.00 C ATOM 396 O ASN A 26 29.587 18.454 27.379 1.00 0.00 O ATOM 397 CB ASN A 26 32.164 18.857 28.787 1.00 0.00 C ATOM 398 CG ASN A 26 33.244 19.251 29.802 1.00 0.00 C ATOM 399 OD1 ASN A 26 33.073 20.111 30.657 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.405 18.623 29.754 1.00 0.00 N ATOM 0 H ASN A 26 30.087 19.627 30.159 1.00 0.00 H new ATOM 0 HA ASN A 26 31.752 20.804 28.011 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.601 18.017 29.193 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.656 18.503 27.881 1.00 0.00 H new ATOM 0 HD21 ASN A 26 35.140 18.857 30.422 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.567 17.904 29.049 1.00 0.00 H new ATOM 407 N PRO A 27 30.028 20.295 26.175 1.00 0.00 N ATOM 408 CA PRO A 27 29.218 19.870 25.030 1.00 0.00 C ATOM 409 C PRO A 27 29.907 18.783 24.191 1.00 0.00 C ATOM 410 O PRO A 27 29.240 17.875 23.695 1.00 0.00 O ATOM 411 CB PRO A 27 28.986 21.135 24.197 1.00 0.00 C ATOM 412 CG PRO A 27 30.178 22.028 24.537 1.00 0.00 C ATOM 413 CD PRO A 27 30.455 21.676 25.995 1.00 0.00 C ATOM 0 HA PRO A 27 28.284 19.422 25.369 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.948 20.909 23.131 1.00 0.00 H new ATOM 0 HB3 PRO A 27 28.042 21.615 24.455 1.00 0.00 H new ATOM 0 HG2 PRO A 27 31.037 21.817 23.899 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.941 23.085 24.413 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.514 21.788 26.227 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.910 22.341 26.665 1.00 0.00 H new ATOM 421 N ALA A 28 31.237 18.851 24.034 1.00 0.00 N ATOM 422 CA ALA A 28 31.997 17.952 23.162 1.00 0.00 C ATOM 423 C ALA A 28 32.065 16.492 23.662 1.00 0.00 C ATOM 424 O ALA A 28 32.184 15.574 22.847 1.00 0.00 O ATOM 425 CB ALA A 28 33.401 18.549 22.995 1.00 0.00 C ATOM 0 H ALA A 28 31.818 19.538 24.514 1.00 0.00 H new ATOM 0 HA ALA A 28 31.478 17.884 22.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 33.996 17.903 22.349 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.324 19.539 22.546 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.881 18.629 23.970 1.00 0.00 H new ATOM 431 N THR A 29 31.945 16.289 24.980 1.00 0.00 N ATOM 432 CA THR A 29 32.053 15.016 25.713 1.00 0.00 C ATOM 433 C THR A 29 31.159 15.135 26.938 1.00 0.00 C ATOM 434 O THR A 29 31.258 16.142 27.624 1.00 0.00 O ATOM 435 CB THR A 29 33.504 14.800 26.157 1.00 0.00 C ATOM 436 OG1 THR A 29 34.323 14.694 25.018 1.00 0.00 O ATOM 437 CG2 THR A 29 33.697 13.530 26.982 1.00 0.00 C ATOM 0 H THR A 29 31.756 17.067 25.612 1.00 0.00 H new ATOM 0 HA THR A 29 31.754 14.176 25.087 1.00 0.00 H new ATOM 0 HB THR A 29 33.769 15.654 26.780 1.00 0.00 H new ATOM 0 HG1 THR A 29 35.253 14.557 25.295 1.00 0.00 H new ATOM 0 HG21 THR A 29 34.745 13.436 27.265 1.00 0.00 H new ATOM 0 HG22 THR A 29 33.082 13.583 27.881 1.00 0.00 H new ATOM 0 HG23 THR A 29 33.401 12.663 26.391 1.00 0.00 H new ATOM 445 N ARG A 30 30.306 14.149 27.231 1.00 0.00 N ATOM 446 CA ARG A 30 29.358 14.198 28.357 1.00 0.00 C ATOM 447 C ARG A 30 30.112 14.225 29.701 1.00 0.00 C ATOM 448 O ARG A 30 30.585 13.186 30.165 1.00 0.00 O ATOM 449 CB ARG A 30 28.364 13.021 28.262 1.00 0.00 C ATOM 450 CG ARG A 30 27.452 13.133 27.026 1.00 0.00 C ATOM 451 CD ARG A 30 26.423 12.001 26.909 1.00 0.00 C ATOM 452 NE ARG A 30 25.452 12.014 28.012 1.00 0.00 N ATOM 453 CZ ARG A 30 24.413 11.205 28.161 1.00 0.00 C ATOM 454 NH1 ARG A 30 24.051 10.308 27.270 1.00 0.00 N ATOM 455 NH2 ARG A 30 23.690 11.294 29.249 1.00 0.00 N ATOM 0 H ARG A 30 30.251 13.285 26.691 1.00 0.00 H new ATOM 0 HA ARG A 30 28.779 15.120 28.303 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.917 12.082 28.221 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.751 12.991 29.163 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.926 14.087 27.060 1.00 0.00 H new ATOM 0 HG3 ARG A 30 28.071 13.142 26.129 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.893 12.091 25.961 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.941 11.042 26.895 1.00 0.00 H new ATOM 0 HE ARG A 30 25.592 12.718 28.737 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.581 10.206 26.405 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.240 9.714 27.444 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.930 11.979 29.966 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.887 10.679 29.379 1.00 0.00 H new ATOM 469 N GLU A 31 30.285 15.417 30.273 1.00 0.00 N ATOM 470 CA GLU A 31 31.184 15.726 31.396 1.00 0.00 C ATOM 471 C GLU A 31 30.944 17.170 31.903 1.00 0.00 C ATOM 472 O GLU A 31 30.219 17.952 31.289 1.00 0.00 O ATOM 473 CB GLU A 31 32.655 15.482 30.955 1.00 0.00 C ATOM 474 CG GLU A 31 33.750 15.610 32.028 1.00 0.00 C ATOM 475 CD GLU A 31 33.505 14.711 33.237 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.643 15.055 34.085 1.00 0.00 O ATOM 477 OE2 GLU A 31 34.206 13.682 33.372 1.00 0.00 O ATOM 0 H GLU A 31 29.776 16.240 29.951 1.00 0.00 H new ATOM 0 HA GLU A 31 30.974 15.065 32.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.717 14.480 30.530 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.886 16.183 30.153 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.715 15.361 31.586 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.808 16.647 32.359 1.00 0.00 H new ATOM 484 N SER A 32 31.575 17.552 33.013 1.00 0.00 N ATOM 485 CA SER A 32 31.692 18.948 33.461 1.00 0.00 C ATOM 486 C SER A 32 33.092 19.251 34.040 1.00 0.00 C ATOM 487 O SER A 32 33.706 18.394 34.683 1.00 0.00 O ATOM 488 CB SER A 32 30.568 19.292 34.458 1.00 0.00 C ATOM 489 OG SER A 32 30.482 18.389 35.557 1.00 0.00 O ATOM 0 H SER A 32 32.030 16.890 33.642 1.00 0.00 H new ATOM 0 HA SER A 32 31.574 19.592 32.590 1.00 0.00 H new ATOM 0 HB2 SER A 32 30.728 20.300 34.839 1.00 0.00 H new ATOM 0 HB3 SER A 32 29.615 19.299 33.929 1.00 0.00 H new ATOM 0 HG SER A 32 29.752 18.664 36.150 1.00 0.00 H new ATOM 495 N ARG A 33 33.599 20.469 33.800 1.00 0.00 N ATOM 496 CA ARG A 33 34.919 20.973 34.217 1.00 0.00 C ATOM 497 C ARG A 33 34.762 21.996 35.362 1.00 0.00 C ATOM 498 O ARG A 33 33.815 22.782 35.389 1.00 0.00 O ATOM 499 CB ARG A 33 35.620 21.571 32.974 1.00 0.00 C ATOM 500 CG ARG A 33 37.111 21.943 33.121 1.00 0.00 C ATOM 501 CD ARG A 33 38.084 20.753 33.175 1.00 0.00 C ATOM 502 NE ARG A 33 38.028 19.953 31.940 1.00 0.00 N ATOM 503 CZ ARG A 33 38.369 18.681 31.762 1.00 0.00 C ATOM 504 NH1 ARG A 33 38.987 17.974 32.682 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.086 18.100 30.616 1.00 0.00 N ATOM 0 H ARG A 33 33.070 21.170 33.280 1.00 0.00 H new ATOM 0 HA ARG A 33 35.539 20.167 34.610 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.528 20.856 32.157 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.075 22.467 32.676 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.393 22.583 32.285 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.233 22.532 34.030 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.099 21.119 33.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.841 20.122 34.030 1.00 0.00 H new ATOM 0 HE ARG A 33 37.682 20.439 31.113 1.00 0.00 H new ATOM 0 HH11 ARG A 33 39.225 18.399 33.578 1.00 0.00 H new ATOM 0 HH12 ARG A 33 39.229 17.000 32.500 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.612 18.625 29.881 1.00 0.00 H new ATOM 0 HH22 ARG A 33 38.341 17.124 30.462 1.00 0.00 H new ATOM 519 N TRP A 34 35.702 21.986 36.311 1.00 0.00 N ATOM 520 CA TRP A 34 35.601 22.659 37.625 1.00 0.00 C ATOM 521 C TRP A 34 36.790 23.594 37.962 1.00 0.00 C ATOM 522 O TRP A 34 36.753 24.305 38.967 1.00 0.00 O ATOM 523 CB TRP A 34 35.407 21.580 38.724 1.00 0.00 C ATOM 524 CG TRP A 34 35.596 20.132 38.344 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.668 19.157 38.466 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.751 19.485 37.718 1.00 0.00 C ATOM 527 NE1 TRP A 34 35.166 17.971 37.964 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.431 18.125 37.446 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.018 19.935 37.299 1.00 0.00 C ATOM 530 CZ2 TRP A 34 37.312 17.262 36.775 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.926 19.075 36.655 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.574 17.741 36.386 1.00 0.00 C ATOM 0 H TRP A 34 36.588 21.495 36.189 1.00 0.00 H new ATOM 0 HA TRP A 34 34.738 23.323 37.579 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.099 21.804 39.536 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.399 21.690 39.124 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.684 19.286 38.892 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.657 17.087 37.976 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.299 20.963 37.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 37.023 16.244 36.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.900 19.442 36.365 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.271 17.087 35.882 1.00 0.00 H new ATOM 543 N GLU A 35 37.831 23.603 37.126 1.00 0.00 N ATOM 544 CA GLU A 35 39.120 24.292 37.299 1.00 0.00 C ATOM 545 C GLU A 35 39.846 24.298 35.929 1.00 0.00 C ATOM 546 O GLU A 35 39.387 23.578 35.032 1.00 0.00 O ATOM 547 CB GLU A 35 39.933 23.609 38.428 1.00 0.00 C ATOM 548 CG GLU A 35 40.813 22.444 37.948 1.00 0.00 C ATOM 549 CD GLU A 35 41.470 21.699 39.102 1.00 0.00 C ATOM 550 OE1 GLU A 35 40.773 21.095 39.950 1.00 0.00 O ATOM 551 OE2 GLU A 35 42.720 21.682 39.149 1.00 0.00 O ATOM 0 H GLU A 35 37.796 23.092 36.244 1.00 0.00 H new ATOM 0 HA GLU A 35 38.986 25.328 37.611 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.566 24.355 38.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 39.243 23.241 39.187 1.00 0.00 H new ATOM 0 HG2 GLU A 35 40.206 21.748 37.369 1.00 0.00 H new ATOM 0 HG3 GLU A 35 41.585 22.826 37.280 1.00 0.00 H new ATOM 558 N PRO A 36 40.949 25.050 35.723 1.00 0.00 N ATOM 559 CA PRO A 36 41.645 25.071 34.438 1.00 0.00 C ATOM 560 C PRO A 36 42.321 23.712 34.145 1.00 0.00 C ATOM 561 O PRO A 36 43.158 23.276 34.942 1.00 0.00 O ATOM 562 CB PRO A 36 42.655 26.222 34.522 1.00 0.00 C ATOM 563 CG PRO A 36 42.912 26.373 36.020 1.00 0.00 C ATOM 564 CD PRO A 36 41.574 25.986 36.650 1.00 0.00 C ATOM 0 HA PRO A 36 40.955 25.230 33.609 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.572 25.990 33.980 1.00 0.00 H new ATOM 0 HB3 PRO A 36 42.253 27.139 34.091 1.00 0.00 H new ATOM 0 HG2 PRO A 36 43.718 25.721 36.357 1.00 0.00 H new ATOM 0 HG3 PRO A 36 43.198 27.393 36.278 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.721 25.527 37.628 1.00 0.00 H new ATOM 0 HD3 PRO A 36 40.946 26.864 36.801 1.00 0.00 H new ATOM 572 N PRO A 37 41.993 23.046 33.015 1.00 0.00 N ATOM 573 CA PRO A 37 42.615 21.793 32.580 1.00 0.00 C ATOM 574 C PRO A 37 43.942 22.047 31.858 1.00 0.00 C ATOM 575 O PRO A 37 44.294 23.193 31.591 1.00 0.00 O ATOM 576 CB PRO A 37 41.600 21.164 31.624 1.00 0.00 C ATOM 577 CG PRO A 37 40.940 22.373 30.973 1.00 0.00 C ATOM 578 CD PRO A 37 40.953 23.433 32.069 1.00 0.00 C ATOM 0 HA PRO A 37 42.850 21.147 33.426 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.084 20.524 30.887 1.00 0.00 H new ATOM 0 HB3 PRO A 37 40.875 20.547 32.155 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.491 22.703 30.092 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.924 22.147 30.648 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.157 24.419 31.651 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.983 23.491 32.563 1.00 0.00 H new ATOM 586 N ALA A 38 44.672 20.983 31.500 1.00 0.00 N ATOM 587 CA ALA A 38 45.924 21.077 30.738 1.00 0.00 C ATOM 588 C ALA A 38 45.770 21.777 29.366 1.00 0.00 C ATOM 589 O ALA A 38 46.572 22.645 29.020 1.00 0.00 O ATOM 590 CB ALA A 38 46.503 19.664 30.590 1.00 0.00 C ATOM 0 H ALA A 38 44.408 20.026 31.733 1.00 0.00 H new ATOM 0 HA ALA A 38 46.612 21.715 31.293 1.00 0.00 H new ATOM 0 HB1 ALA A 38 47.435 19.710 30.026 1.00 0.00 H new ATOM 0 HB2 ALA A 38 46.696 19.245 31.577 1.00 0.00 H new ATOM 0 HB3 ALA A 38 45.790 19.032 30.061 1.00 0.00 H new ATOM 596 N ASP A 39 44.726 21.442 28.603 1.00 0.00 N ATOM 597 CA ASP A 39 44.558 21.810 27.182 1.00 0.00 C ATOM 598 C ASP A 39 44.309 23.317 26.903 1.00 0.00 C ATOM 599 O ASP A 39 44.344 23.743 25.744 1.00 0.00 O ATOM 600 CB ASP A 39 43.395 20.948 26.647 1.00 0.00 C ATOM 601 CG ASP A 39 43.312 20.854 25.120 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.348 20.583 24.475 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.184 20.937 24.577 1.00 0.00 O ATOM 0 H ASP A 39 43.947 20.890 28.962 1.00 0.00 H new ATOM 0 HA ASP A 39 45.500 21.618 26.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.491 19.941 27.054 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.457 21.356 27.023 1.00 0.00 H new ATOM 608 N THR A 40 44.033 24.110 27.949 1.00 0.00 N ATOM 609 CA THR A 40 43.460 25.473 27.890 1.00 0.00 C ATOM 610 C THR A 40 44.446 26.571 27.457 1.00 0.00 C ATOM 611 O THR A 40 45.661 26.387 27.445 1.00 0.00 O ATOM 612 CB THR A 40 42.764 25.749 29.229 1.00 0.00 C ATOM 613 OG1 THR A 40 41.876 26.829 29.134 1.00 0.00 O ATOM 614 CG2 THR A 40 43.726 26.081 30.364 1.00 0.00 C ATOM 0 H THR A 40 44.210 23.809 28.907 1.00 0.00 H new ATOM 0 HA THR A 40 42.727 25.508 27.084 1.00 0.00 H new ATOM 0 HB THR A 40 42.244 24.818 29.455 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.587 26.934 28.204 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.161 26.264 31.278 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.407 25.245 30.520 1.00 0.00 H new ATOM 0 HG23 THR A 40 44.298 26.972 30.107 1.00 0.00 H new ATOM 622 N ASP A 41 43.908 27.735 27.080 1.00 0.00 N ATOM 623 CA ASP A 41 44.567 28.800 26.317 1.00 0.00 C ATOM 624 C ASP A 41 44.707 30.073 27.153 1.00 0.00 C ATOM 625 O ASP A 41 44.199 31.123 26.777 1.00 0.00 O ATOM 626 CB ASP A 41 43.773 29.083 25.022 1.00 0.00 C ATOM 627 CG ASP A 41 44.620 29.769 23.945 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.508 29.090 23.376 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.368 30.940 23.582 1.00 0.00 O ATOM 0 H ASP A 41 42.944 27.973 27.313 1.00 0.00 H new ATOM 0 HA ASP A 41 45.571 28.467 26.054 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.383 28.145 24.628 1.00 0.00 H new ATOM 0 HB3 ASP A 41 42.914 29.712 25.258 1.00 0.00 H new ATOM 634 N MET A 42 45.351 29.979 28.317 1.00 0.00 N ATOM 635 CA MET A 42 45.784 31.108 29.157 1.00 0.00 C ATOM 636 C MET A 42 46.142 32.390 28.382 1.00 0.00 C ATOM 637 O MET A 42 45.661 33.446 28.778 1.00 0.00 O ATOM 638 CB MET A 42 46.910 30.659 30.093 1.00 0.00 C ATOM 639 CG MET A 42 46.373 29.581 31.046 1.00 0.00 C ATOM 640 SD MET A 42 47.273 29.465 32.606 1.00 0.00 S ATOM 641 CE MET A 42 46.325 28.080 33.286 1.00 0.00 C ATOM 0 H MET A 42 45.598 29.076 28.722 1.00 0.00 H new ATOM 0 HA MET A 42 44.918 31.401 29.751 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.746 30.266 29.514 1.00 0.00 H new ATOM 0 HB3 MET A 42 47.288 31.509 30.661 1.00 0.00 H new ATOM 0 HG2 MET A 42 45.324 29.788 31.258 1.00 0.00 H new ATOM 0 HG3 MET A 42 46.412 28.615 30.543 1.00 0.00 H new ATOM 0 HE1 MET A 42 46.711 27.824 34.273 1.00 0.00 H new ATOM 0 HE2 MET A 42 45.276 28.363 33.369 1.00 0.00 H new ATOM 0 HE3 MET A 42 46.417 27.217 32.626 1.00 0.00 H new ATOM 651 N GLU A 43 46.824 32.294 27.237 1.00 0.00 N ATOM 652 CA GLU A 43 47.014 33.363 26.239 1.00 0.00 C ATOM 653 C GLU A 43 45.763 34.233 26.003 1.00 0.00 C ATOM 654 O GLU A 43 45.831 35.460 26.125 1.00 0.00 O ATOM 655 CB GLU A 43 47.449 32.688 24.923 1.00 0.00 C ATOM 656 CG GLU A 43 47.463 33.617 23.703 1.00 0.00 C ATOM 657 CD GLU A 43 47.997 32.892 22.474 1.00 0.00 C ATOM 658 OE1 GLU A 43 47.408 31.860 22.079 1.00 0.00 O ATOM 659 OE2 GLU A 43 48.991 33.365 21.879 1.00 0.00 O ATOM 0 H GLU A 43 47.284 31.426 26.962 1.00 0.00 H new ATOM 0 HA GLU A 43 47.770 34.051 26.618 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.447 32.271 25.057 1.00 0.00 H new ATOM 0 HB3 GLU A 43 46.779 31.853 24.720 1.00 0.00 H new ATOM 0 HG2 GLU A 43 46.454 33.981 23.506 1.00 0.00 H new ATOM 0 HG3 GLU A 43 48.081 34.490 23.913 1.00 0.00 H new ATOM 666 N THR A 44 44.632 33.600 25.668 1.00 0.00 N ATOM 667 CA THR A 44 43.283 34.186 25.574 1.00 0.00 C ATOM 668 C THR A 44 42.649 34.348 26.952 1.00 0.00 C ATOM 669 O THR A 44 41.835 35.240 27.171 1.00 0.00 O ATOM 670 CB THR A 44 42.402 33.258 24.718 1.00 0.00 C ATOM 671 OG1 THR A 44 42.977 33.155 23.435 1.00 0.00 O ATOM 672 CG2 THR A 44 40.972 33.777 24.535 1.00 0.00 C ATOM 0 H THR A 44 44.631 32.606 25.441 1.00 0.00 H new ATOM 0 HA THR A 44 43.363 35.174 25.120 1.00 0.00 H new ATOM 0 HB THR A 44 42.350 32.302 25.239 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.408 32.280 23.339 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.406 33.075 23.922 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.493 33.876 25.509 1.00 0.00 H new ATOM 0 HG23 THR A 44 40.998 34.749 24.043 1.00 0.00 H new ATOM 680 N LEU A 45 42.979 33.468 27.897 1.00 0.00 N ATOM 681 CA LEU A 45 42.208 33.274 29.120 1.00 0.00 C ATOM 682 C LEU A 45 42.504 34.334 30.172 1.00 0.00 C ATOM 683 O LEU A 45 41.689 34.517 31.067 1.00 0.00 O ATOM 684 CB LEU A 45 42.486 31.873 29.695 1.00 0.00 C ATOM 685 CG LEU A 45 41.311 30.943 29.995 1.00 0.00 C ATOM 686 CD1 LEU A 45 41.762 29.865 30.993 1.00 0.00 C ATOM 687 CD2 LEU A 45 40.059 31.613 30.464 1.00 0.00 C ATOM 0 H LEU A 45 43.799 32.864 27.832 1.00 0.00 H new ATOM 0 HA LEU A 45 41.155 33.368 28.856 1.00 0.00 H new ATOM 0 HB2 LEU A 45 43.143 31.356 28.996 1.00 0.00 H new ATOM 0 HB3 LEU A 45 43.046 32.004 30.621 1.00 0.00 H new ATOM 0 HG LEU A 45 41.030 30.500 29.039 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.927 29.199 31.211 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.582 29.291 30.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 42.097 30.340 31.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 39.291 30.862 30.647 1.00 0.00 H new ATOM 0 HD22 LEU A 45 40.261 32.157 31.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 39.711 32.309 29.701 1.00 0.00 H new ATOM 699 N LYS A 46 43.627 35.051 30.119 1.00 0.00 N ATOM 700 CA LYS A 46 43.844 36.134 31.082 1.00 0.00 C ATOM 701 C LYS A 46 42.842 37.296 30.889 1.00 0.00 C ATOM 702 O LYS A 46 42.435 37.904 31.877 1.00 0.00 O ATOM 703 CB LYS A 46 45.307 36.612 31.062 1.00 0.00 C ATOM 704 CG LYS A 46 46.224 35.973 32.121 1.00 0.00 C ATOM 705 CD LYS A 46 46.603 34.501 31.890 1.00 0.00 C ATOM 706 CE LYS A 46 45.609 33.480 32.471 1.00 0.00 C ATOM 707 NZ LYS A 46 45.769 33.332 33.940 1.00 0.00 N ATOM 0 H LYS A 46 44.379 34.910 29.444 1.00 0.00 H new ATOM 0 HA LYS A 46 43.651 35.730 32.076 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.724 36.410 30.075 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.320 37.693 31.199 1.00 0.00 H new ATOM 0 HG2 LYS A 46 47.142 36.558 32.178 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.734 36.053 33.092 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.695 34.328 30.818 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.585 34.320 32.327 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.590 33.795 32.246 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.757 32.513 31.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 45.083 32.636 34.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 46.734 33.007 34.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 45.603 34.249 34.401 1.00 0.00 H new ATOM 721 N MET A 47 42.320 37.510 29.669 1.00 0.00 N ATOM 722 CA MET A 47 41.168 38.399 29.388 1.00 0.00 C ATOM 723 C MET A 47 39.860 37.961 30.079 1.00 0.00 C ATOM 724 O MET A 47 38.863 38.681 30.025 1.00 0.00 O ATOM 725 CB MET A 47 40.932 38.490 27.867 1.00 0.00 C ATOM 726 CG MET A 47 42.095 39.135 27.102 1.00 0.00 C ATOM 727 SD MET A 47 42.370 40.891 27.456 1.00 0.00 S ATOM 728 CE MET A 47 40.993 41.592 26.510 1.00 0.00 C ATOM 0 H MET A 47 42.691 37.063 28.831 1.00 0.00 H new ATOM 0 HA MET A 47 41.432 39.373 29.800 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.761 37.488 27.474 1.00 0.00 H new ATOM 0 HB3 MET A 47 40.024 39.064 27.682 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.009 38.587 27.332 1.00 0.00 H new ATOM 0 HG3 MET A 47 41.914 39.020 26.033 1.00 0.00 H new ATOM 0 HE1 MET A 47 41.379 42.294 25.771 1.00 0.00 H new ATOM 0 HE2 MET A 47 40.455 40.791 26.003 1.00 0.00 H new ATOM 0 HE3 MET A 47 40.315 42.113 27.186 1.00 0.00 H new ATOM 738 N TYR A 48 39.842 36.780 30.702 1.00 0.00 N ATOM 739 CA TYR A 48 38.717 36.197 31.437 1.00 0.00 C ATOM 740 C TYR A 48 39.043 36.033 32.933 1.00 0.00 C ATOM 741 O TYR A 48 38.421 36.665 33.785 1.00 0.00 O ATOM 742 CB TYR A 48 38.422 34.849 30.770 1.00 0.00 C ATOM 743 CG TYR A 48 37.247 34.094 31.341 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.948 34.629 31.257 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.444 32.817 31.898 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.853 33.891 31.740 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.349 32.061 32.339 1.00 0.00 C ATOM 748 CZ TYR A 48 35.047 32.606 32.290 1.00 0.00 C ATOM 749 OH TYR A 48 33.989 31.902 32.772 1.00 0.00 O ATOM 0 H TYR A 48 40.659 36.170 30.707 1.00 0.00 H new ATOM 0 HA TYR A 48 37.844 36.849 31.399 1.00 0.00 H new ATOM 0 HB2 TYR A 48 38.243 35.018 29.708 1.00 0.00 H new ATOM 0 HB3 TYR A 48 39.310 34.221 30.848 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.792 35.605 30.822 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.443 32.417 31.986 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.859 34.310 31.690 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.501 31.061 32.717 1.00 0.00 H new ATOM 0 HH TYR A 48 34.313 31.167 33.333 1.00 0.00 H new ATOM 759 N MET A 49 40.088 35.260 33.237 1.00 0.00 N ATOM 760 CA MET A 49 40.567 34.939 34.588 1.00 0.00 C ATOM 761 C MET A 49 41.215 36.130 35.323 1.00 0.00 C ATOM 762 O MET A 49 41.498 36.027 36.514 1.00 0.00 O ATOM 763 CB MET A 49 41.513 33.727 34.478 1.00 0.00 C ATOM 764 CG MET A 49 40.744 32.444 34.106 1.00 0.00 C ATOM 765 SD MET A 49 40.742 31.114 35.340 1.00 0.00 S ATOM 766 CE MET A 49 40.016 32.011 36.739 1.00 0.00 C ATOM 0 H MET A 49 40.653 34.817 32.512 1.00 0.00 H new ATOM 0 HA MET A 49 39.708 34.691 35.212 1.00 0.00 H new ATOM 0 HB2 MET A 49 42.276 33.926 33.726 1.00 0.00 H new ATOM 0 HB3 MET A 49 42.031 33.581 35.426 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.710 32.715 33.895 1.00 0.00 H new ATOM 0 HG3 MET A 49 41.165 32.050 33.181 1.00 0.00 H new ATOM 0 HE1 MET A 49 39.692 31.300 37.498 1.00 0.00 H new ATOM 0 HE2 MET A 49 40.760 32.683 37.166 1.00 0.00 H new ATOM 0 HE3 MET A 49 39.159 32.590 36.395 1.00 0.00 H new ATOM 776 N ALA A 50 41.423 37.265 34.649 1.00 0.00 N ATOM 777 CA ALA A 50 41.779 38.556 35.246 1.00 0.00 C ATOM 778 C ALA A 50 40.995 39.698 34.558 1.00 0.00 C ATOM 779 O ALA A 50 41.586 40.650 34.032 1.00 0.00 O ATOM 780 CB ALA A 50 43.305 38.721 35.180 1.00 0.00 C ATOM 0 H ALA A 50 41.345 37.312 33.633 1.00 0.00 H new ATOM 0 HA ALA A 50 41.493 38.597 36.297 1.00 0.00 H new ATOM 0 HB1 ALA A 50 43.587 39.677 35.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 43.783 37.912 35.733 1.00 0.00 H new ATOM 0 HB3 ALA A 50 43.630 38.691 34.140 1.00 0.00 H new ATOM 786 N THR A 51 39.658 39.559 34.512 1.00 0.00 N ATOM 787 CA THR A 51 38.731 40.465 33.805 1.00 0.00 C ATOM 788 C THR A 51 38.919 41.901 34.277 1.00 0.00 C ATOM 789 O THR A 51 38.886 42.182 35.478 1.00 0.00 O ATOM 790 CB THR A 51 37.271 40.005 33.945 1.00 0.00 C ATOM 791 OG1 THR A 51 37.100 38.881 33.116 1.00 0.00 O ATOM 792 CG2 THR A 51 36.246 41.035 33.464 1.00 0.00 C ATOM 0 H THR A 51 39.177 38.791 34.979 1.00 0.00 H new ATOM 0 HA THR A 51 38.971 40.429 32.742 1.00 0.00 H new ATOM 0 HB THR A 51 37.102 39.820 35.006 1.00 0.00 H new ATOM 0 HG1 THR A 51 37.705 38.166 33.405 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.240 40.636 33.596 1.00 0.00 H new ATOM 0 HG22 THR A 51 36.352 41.952 34.044 1.00 0.00 H new ATOM 0 HG23 THR A 51 36.415 41.252 32.409 1.00 0.00 H new