USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 403 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 18 SER OG : rot 160:sc= 0.227 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 159:sc= 0.247 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.0493 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00642 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -114:sc= 1.21 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -100:sc= 0.12 USER MOD Single : A 26 ASN : amide:sc= 0.221 K(o=0.22,f=-8.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 29:sc= 0.438 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 133:sc= 1.26 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 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -149:sc= -0.0327 (180deg=-0.376) USER MOD Single : A 51 THR OG1 : rot 48:sc= 0.0189 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.999 34.317 27.098 1.00 0.00 N ATOM 2 CA SER A 1 25.681 35.425 26.407 1.00 0.00 C ATOM 3 C SER A 1 27.061 34.993 25.940 1.00 0.00 C ATOM 4 O SER A 1 27.724 34.218 26.629 1.00 0.00 O ATOM 5 CB SER A 1 25.783 36.656 27.310 1.00 0.00 C ATOM 6 OG SER A 1 24.478 37.031 27.717 1.00 0.00 O ATOM 0 H1 SER A 1 24.444 34.693 27.893 1.00 0.00 H new ATOM 0 H2 SER A 1 24.364 33.831 26.433 1.00 0.00 H new ATOM 0 H3 SER A 1 25.706 33.644 27.456 1.00 0.00 H new ATOM 0 HA SER A 1 25.087 35.694 25.534 1.00 0.00 H new ATOM 0 HB2 SER A 1 26.401 36.436 28.180 1.00 0.00 H new ATOM 0 HB3 SER A 1 26.263 37.477 26.777 1.00 0.00 H new ATOM 0 HG SER A 1 24.530 37.818 28.298 1.00 0.00 H new ATOM 12 N MET A 2 27.510 35.469 24.776 1.00 0.00 N ATOM 13 CA MET A 2 28.834 35.148 24.217 1.00 0.00 C ATOM 14 C MET A 2 29.959 35.786 25.050 1.00 0.00 C ATOM 15 O MET A 2 29.845 36.941 25.459 1.00 0.00 O ATOM 16 CB MET A 2 28.927 35.610 22.751 1.00 0.00 C ATOM 17 CG MET A 2 27.980 34.851 21.809 1.00 0.00 C ATOM 18 SD MET A 2 26.237 35.345 21.867 1.00 0.00 S ATOM 19 CE MET A 2 25.607 34.119 20.696 1.00 0.00 C ATOM 0 H MET A 2 26.962 36.095 24.186 1.00 0.00 H new ATOM 0 HA MET A 2 28.959 34.066 24.253 1.00 0.00 H new ATOM 0 HB2 MET A 2 28.702 36.675 22.699 1.00 0.00 H new ATOM 0 HB3 MET A 2 29.952 35.483 22.403 1.00 0.00 H new ATOM 0 HG2 MET A 2 28.339 34.976 20.787 1.00 0.00 H new ATOM 0 HG3 MET A 2 28.044 33.788 22.041 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.531 34.246 20.580 1.00 0.00 H new ATOM 0 HE2 MET A 2 26.094 34.254 19.730 1.00 0.00 H new ATOM 0 HE3 MET A 2 25.816 33.117 21.071 1.00 0.00 H new ATOM 29 N VAL A 3 31.056 35.060 25.274 1.00 0.00 N ATOM 30 CA VAL A 3 32.197 35.491 26.105 1.00 0.00 C ATOM 31 C VAL A 3 33.496 34.854 25.608 1.00 0.00 C ATOM 32 O VAL A 3 33.574 33.635 25.472 1.00 0.00 O ATOM 33 CB VAL A 3 32.026 35.174 27.617 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.079 36.165 28.312 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.544 33.741 27.921 1.00 0.00 C ATOM 0 H VAL A 3 31.185 34.130 24.875 1.00 0.00 H new ATOM 0 HA VAL A 3 32.237 36.576 26.004 1.00 0.00 H new ATOM 0 HB VAL A 3 33.036 35.273 28.016 1.00 0.00 H new ATOM 0 HG11 VAL A 3 30.990 35.904 29.367 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.478 37.175 28.220 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.096 36.119 27.843 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.453 33.609 28.999 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.574 33.576 27.452 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.264 33.024 27.527 1.00 0.00 H new ATOM 45 N ASN A 4 34.535 35.658 25.360 1.00 0.00 N ATOM 46 CA ASN A 4 35.840 35.114 24.970 1.00 0.00 C ATOM 47 C ASN A 4 36.491 34.385 26.154 1.00 0.00 C ATOM 48 O ASN A 4 36.720 34.976 27.216 1.00 0.00 O ATOM 49 CB ASN A 4 36.780 36.197 24.418 1.00 0.00 C ATOM 50 CG ASN A 4 36.232 36.854 23.158 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.202 36.261 22.082 1.00 0.00 O ATOM 52 ND2 ASN A 4 35.763 38.082 23.254 1.00 0.00 N ATOM 0 H ASN A 4 34.500 36.676 25.421 1.00 0.00 H new ATOM 0 HA ASN A 4 35.667 34.400 24.165 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.940 36.958 25.181 1.00 0.00 H new ATOM 0 HB3 ASN A 4 37.752 35.754 24.200 1.00 0.00 H new ATOM 0 HD21 ASN A 4 35.373 38.545 22.433 1.00 0.00 H new ATOM 0 HD22 ASN A 4 35.790 38.570 24.149 1.00 0.00 H new ATOM 59 N THR A 5 36.826 33.108 25.954 1.00 0.00 N ATOM 60 CA THR A 5 37.585 32.265 26.888 1.00 0.00 C ATOM 61 C THR A 5 38.744 31.645 26.135 1.00 0.00 C ATOM 62 O THR A 5 38.635 31.297 24.960 1.00 0.00 O ATOM 63 CB THR A 5 36.729 31.142 27.475 1.00 0.00 C ATOM 64 OG1 THR A 5 36.266 30.279 26.475 1.00 0.00 O ATOM 65 CG2 THR A 5 35.576 31.711 28.272 1.00 0.00 C ATOM 0 H THR A 5 36.566 32.610 25.102 1.00 0.00 H new ATOM 0 HA THR A 5 37.927 32.892 27.712 1.00 0.00 H new ATOM 0 HB THR A 5 37.358 30.560 28.149 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.290 30.342 26.414 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.979 30.896 28.681 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.964 32.322 29.087 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.953 32.326 27.622 1.00 0.00 H new ATOM 73 N GLY A 6 39.823 31.402 26.859 1.00 0.00 N ATOM 74 CA GLY A 6 40.811 30.394 26.503 1.00 0.00 C ATOM 75 C GLY A 6 40.408 28.952 26.813 1.00 0.00 C ATOM 76 O GLY A 6 41.267 28.074 26.719 1.00 0.00 O ATOM 0 H GLY A 6 40.042 31.903 27.720 1.00 0.00 H new ATOM 0 HA2 GLY A 6 41.021 30.475 25.437 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.740 30.616 27.029 1.00 0.00 H new ATOM 80 N LEU A 7 39.173 28.679 27.260 1.00 0.00 N ATOM 81 CA LEU A 7 38.788 27.369 27.807 1.00 0.00 C ATOM 82 C LEU A 7 38.924 26.243 26.760 1.00 0.00 C ATOM 83 O LEU A 7 38.825 26.523 25.559 1.00 0.00 O ATOM 84 CB LEU A 7 37.390 27.432 28.455 1.00 0.00 C ATOM 85 CG LEU A 7 37.412 28.017 29.887 1.00 0.00 C ATOM 86 CD1 LEU A 7 35.969 28.245 30.357 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.109 27.096 30.910 1.00 0.00 C ATOM 0 H LEU A 7 38.413 29.360 27.253 1.00 0.00 H new ATOM 0 HA LEU A 7 39.490 27.114 28.601 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.734 28.039 27.831 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.964 26.429 28.485 1.00 0.00 H new ATOM 0 HG LEU A 7 37.978 28.947 29.838 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.976 28.657 31.366 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.473 28.943 29.683 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.432 27.296 30.356 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.090 27.565 31.894 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.587 26.140 30.954 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.143 26.932 30.606 1.00 0.00 H new ATOM 99 N PRO A 8 39.210 24.997 27.192 1.00 0.00 N ATOM 100 CA PRO A 8 39.427 23.886 26.271 1.00 0.00 C ATOM 101 C PRO A 8 38.098 23.492 25.605 1.00 0.00 C ATOM 102 O PRO A 8 37.030 23.857 26.091 1.00 0.00 O ATOM 103 CB PRO A 8 40.043 22.797 27.146 1.00 0.00 C ATOM 104 CG PRO A 8 39.294 22.979 28.456 1.00 0.00 C ATOM 105 CD PRO A 8 39.260 24.503 28.572 1.00 0.00 C ATOM 0 HA PRO A 8 40.088 24.112 25.434 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.893 21.803 26.725 1.00 0.00 H new ATOM 0 HB3 PRO A 8 41.118 22.932 27.269 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.294 22.547 28.421 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.813 22.514 29.294 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.391 24.835 29.140 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.142 24.877 29.092 1.00 0.00 H new ATOM 113 N ALA A 9 38.171 22.799 24.464 1.00 0.00 N ATOM 114 CA ALA A 9 37.129 22.798 23.429 1.00 0.00 C ATOM 115 C ALA A 9 35.693 22.476 23.891 1.00 0.00 C ATOM 116 O ALA A 9 34.747 23.060 23.349 1.00 0.00 O ATOM 117 CB ALA A 9 37.565 21.833 22.318 1.00 0.00 C ATOM 0 H ALA A 9 38.971 22.211 24.228 1.00 0.00 H new ATOM 0 HA ALA A 9 37.052 23.829 23.084 1.00 0.00 H new ATOM 0 HB1 ALA A 9 36.807 21.813 21.535 1.00 0.00 H new ATOM 0 HB2 ALA A 9 38.513 22.167 21.897 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.685 20.832 22.732 1.00 0.00 H new ATOM 123 N GLY A 10 35.527 21.578 24.866 1.00 0.00 N ATOM 124 CA GLY A 10 34.243 21.109 25.392 1.00 0.00 C ATOM 125 C GLY A 10 33.808 21.925 26.604 1.00 0.00 C ATOM 126 O GLY A 10 33.869 21.435 27.731 1.00 0.00 O ATOM 0 H GLY A 10 36.321 21.138 25.331 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.483 21.176 24.614 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.323 20.058 25.669 1.00 0.00 H new ATOM 130 N TRP A 11 33.360 23.160 26.360 1.00 0.00 N ATOM 131 CA TRP A 11 32.866 24.091 27.380 1.00 0.00 C ATOM 132 C TRP A 11 31.571 24.827 26.969 1.00 0.00 C ATOM 133 O TRP A 11 31.301 25.066 25.790 1.00 0.00 O ATOM 134 CB TRP A 11 33.970 25.109 27.719 1.00 0.00 C ATOM 135 CG TRP A 11 34.151 26.205 26.714 1.00 0.00 C ATOM 136 CD1 TRP A 11 34.720 26.048 25.502 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.691 27.597 26.755 1.00 0.00 C ATOM 138 NE1 TRP A 11 34.617 27.215 24.778 1.00 0.00 N ATOM 139 CE2 TRP A 11 33.970 28.198 25.490 1.00 0.00 C ATOM 140 CE3 TRP A 11 33.044 28.407 27.716 1.00 0.00 C ATOM 141 CZ2 TRP A 11 33.598 29.514 25.179 1.00 0.00 C ATOM 142 CZ3 TRP A 11 32.689 29.738 27.422 1.00 0.00 C ATOM 143 CH2 TRP A 11 32.950 30.286 26.154 1.00 0.00 C ATOM 0 H TRP A 11 33.330 23.552 25.419 1.00 0.00 H new ATOM 0 HA TRP A 11 32.611 23.496 28.257 1.00 0.00 H new ATOM 0 HB2 TRP A 11 33.745 25.557 28.687 1.00 0.00 H new ATOM 0 HB3 TRP A 11 34.914 24.576 27.827 1.00 0.00 H new ATOM 0 HD1 TRP A 11 35.188 25.140 25.150 1.00 0.00 H new ATOM 0 HE1 TRP A 11 34.976 27.335 23.831 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.818 27.999 28.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 33.807 29.927 24.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.212 30.344 28.178 1.00 0.00 H new ATOM 0 HH2 TRP A 11 32.652 31.300 25.931 1.00 0.00 H new ATOM 154 N GLU A 12 30.811 25.236 27.983 1.00 0.00 N ATOM 155 CA GLU A 12 29.565 26.005 27.964 1.00 0.00 C ATOM 156 C GLU A 12 29.320 26.381 29.434 1.00 0.00 C ATOM 157 O GLU A 12 29.398 25.504 30.292 1.00 0.00 O ATOM 158 CB GLU A 12 28.423 25.134 27.404 1.00 0.00 C ATOM 159 CG GLU A 12 27.030 25.784 27.411 1.00 0.00 C ATOM 160 CD GLU A 12 26.727 26.724 26.241 1.00 0.00 C ATOM 161 OE1 GLU A 12 27.615 27.010 25.407 1.00 0.00 O ATOM 162 OE2 GLU A 12 25.545 27.131 26.107 1.00 0.00 O ATOM 0 H GLU A 12 31.081 25.014 28.941 1.00 0.00 H new ATOM 0 HA GLU A 12 29.617 26.890 27.330 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.670 24.857 26.379 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.377 24.211 27.982 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.281 24.993 27.420 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.915 26.342 28.340 1.00 0.00 H new ATOM 169 N VAL A 13 29.092 27.651 29.769 1.00 0.00 N ATOM 170 CA VAL A 13 29.038 28.086 31.180 1.00 0.00 C ATOM 171 C VAL A 13 27.672 27.746 31.775 1.00 0.00 C ATOM 172 O VAL A 13 26.639 28.083 31.192 1.00 0.00 O ATOM 173 CB VAL A 13 29.313 29.594 31.366 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.535 29.960 32.842 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.544 30.065 30.573 1.00 0.00 C ATOM 0 H VAL A 13 28.941 28.399 29.092 1.00 0.00 H new ATOM 0 HA VAL A 13 29.831 27.549 31.700 1.00 0.00 H new ATOM 0 HB VAL A 13 28.422 30.096 30.989 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.725 31.030 32.927 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.646 29.702 33.418 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.391 29.408 33.229 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.696 31.132 30.736 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.425 29.518 30.909 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.385 29.880 29.511 1.00 0.00 H new ATOM 185 N ARG A 14 27.669 27.110 32.948 1.00 0.00 N ATOM 186 CA ARG A 14 26.467 26.751 33.700 1.00 0.00 C ATOM 187 C ARG A 14 26.634 27.012 35.199 1.00 0.00 C ATOM 188 O ARG A 14 27.745 27.040 35.722 1.00 0.00 O ATOM 189 CB ARG A 14 26.140 25.269 33.463 1.00 0.00 C ATOM 190 CG ARG A 14 25.508 24.948 32.105 1.00 0.00 C ATOM 191 CD ARG A 14 24.072 25.469 32.076 1.00 0.00 C ATOM 192 NE ARG A 14 23.411 25.177 30.802 1.00 0.00 N ATOM 193 CZ ARG A 14 22.124 24.910 30.646 1.00 0.00 C ATOM 194 NH1 ARG A 14 21.248 24.970 31.627 1.00 0.00 N ATOM 195 NH2 ARG A 14 21.690 24.568 29.460 1.00 0.00 N ATOM 0 H ARG A 14 28.529 26.822 33.414 1.00 0.00 H new ATOM 0 HA ARG A 14 25.648 27.377 33.345 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.058 24.691 33.564 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.464 24.933 34.249 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.089 25.406 31.304 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.519 23.872 31.932 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.506 25.018 32.891 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.073 26.546 32.246 1.00 0.00 H new ATOM 0 HE ARG A 14 23.992 25.180 29.964 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.550 25.233 32.565 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.267 24.753 31.449 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.340 24.511 28.676 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.702 24.358 29.319 1.00 0.00 H new ATOM 209 N HIS A 15 25.517 27.182 35.906 1.00 0.00 N ATOM 210 CA HIS A 15 25.483 27.650 37.295 1.00 0.00 C ATOM 211 C HIS A 15 24.100 27.491 37.954 1.00 0.00 C ATOM 212 O HIS A 15 23.054 27.515 37.300 1.00 0.00 O ATOM 213 CB HIS A 15 25.991 29.103 37.371 1.00 0.00 C ATOM 214 CG HIS A 15 25.446 30.009 36.299 1.00 0.00 C ATOM 215 ND1 HIS A 15 26.055 30.252 35.066 1.00 0.00 N ATOM 216 CD2 HIS A 15 24.278 30.704 36.360 1.00 0.00 C ATOM 217 CE1 HIS A 15 25.253 31.115 34.428 1.00 0.00 C ATOM 218 NE2 HIS A 15 24.179 31.408 35.181 1.00 0.00 N ATOM 0 H HIS A 15 24.590 26.995 35.523 1.00 0.00 H new ATOM 0 HA HIS A 15 26.152 27.011 37.872 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.730 29.516 38.346 1.00 0.00 H new ATOM 0 HB3 HIS A 15 27.079 29.098 37.307 1.00 0.00 H new ATOM 0 HD2 HIS A 15 23.568 30.704 37.174 1.00 0.00 H new ATOM 0 HE1 HIS A 15 25.443 31.519 33.445 1.00 0.00 H new ATOM 0 HE2 HIS A 15 23.422 32.042 34.924 1.00 0.00 H new ATOM 226 N SER A 16 24.100 27.337 39.274 1.00 0.00 N ATOM 227 CA SER A 16 22.943 26.968 40.093 1.00 0.00 C ATOM 228 C SER A 16 23.290 27.100 41.579 1.00 0.00 C ATOM 229 O SER A 16 24.468 27.114 41.939 1.00 0.00 O ATOM 230 CB SER A 16 22.493 25.526 39.766 1.00 0.00 C ATOM 231 OG SER A 16 23.513 24.577 40.031 1.00 0.00 O ATOM 0 H SER A 16 24.944 27.471 39.831 1.00 0.00 H new ATOM 0 HA SER A 16 22.119 27.644 39.866 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.608 25.281 40.353 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.206 25.465 38.716 1.00 0.00 H new ATOM 0 HG SER A 16 23.188 23.678 39.813 1.00 0.00 H new ATOM 237 N ASN A 17 22.289 27.131 42.466 1.00 0.00 N ATOM 238 CA ASN A 17 22.497 27.244 43.922 1.00 0.00 C ATOM 239 C ASN A 17 23.218 26.016 44.545 1.00 0.00 C ATOM 240 O ASN A 17 23.573 26.023 45.724 1.00 0.00 O ATOM 241 CB ASN A 17 21.124 27.508 44.564 1.00 0.00 C ATOM 242 CG ASN A 17 21.178 28.006 46.008 1.00 0.00 C ATOM 243 OD1 ASN A 17 22.083 28.726 46.420 1.00 0.00 O ATOM 244 ND2 ASN A 17 20.175 27.688 46.804 1.00 0.00 N ATOM 0 H ASN A 17 21.306 27.078 42.197 1.00 0.00 H new ATOM 0 HA ASN A 17 23.176 28.073 44.123 1.00 0.00 H new ATOM 0 HB2 ASN A 17 20.591 28.243 43.960 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.541 26.588 44.533 1.00 0.00 H new ATOM 0 HD21 ASN A 17 20.152 28.040 47.761 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.423 27.090 46.462 1.00 0.00 H new ATOM 251 N SER A 18 23.459 24.967 43.749 1.00 0.00 N ATOM 252 CA SER A 18 24.289 23.799 44.081 1.00 0.00 C ATOM 253 C SER A 18 25.805 24.109 44.070 1.00 0.00 C ATOM 254 O SER A 18 26.572 23.402 44.728 1.00 0.00 O ATOM 255 CB SER A 18 23.915 22.661 43.106 1.00 0.00 C ATOM 256 OG SER A 18 24.818 21.569 43.113 1.00 0.00 O ATOM 0 H SER A 18 23.063 24.905 42.811 1.00 0.00 H new ATOM 0 HA SER A 18 24.083 23.493 45.107 1.00 0.00 H new ATOM 0 HB2 SER A 18 22.919 22.296 43.357 1.00 0.00 H new ATOM 0 HB3 SER A 18 23.861 23.067 42.096 1.00 0.00 H new ATOM 0 HG SER A 18 24.377 20.777 42.741 1.00 0.00 H new ATOM 262 N LYS A 19 26.268 25.184 43.409 1.00 0.00 N ATOM 263 CA LYS A 19 27.694 25.549 43.322 1.00 0.00 C ATOM 264 C LYS A 19 27.948 27.069 43.273 1.00 0.00 C ATOM 265 O LYS A 19 27.228 27.825 42.621 1.00 0.00 O ATOM 266 CB LYS A 19 28.399 24.786 42.181 1.00 0.00 C ATOM 267 CG LYS A 19 27.760 24.832 40.776 1.00 0.00 C ATOM 268 CD LYS A 19 26.673 23.773 40.501 1.00 0.00 C ATOM 269 CE LYS A 19 27.190 22.333 40.644 1.00 0.00 C ATOM 270 NZ LYS A 19 26.156 21.320 40.321 1.00 0.00 N ATOM 0 H LYS A 19 25.656 25.832 42.914 1.00 0.00 H new ATOM 0 HA LYS A 19 28.149 25.228 44.259 1.00 0.00 H new ATOM 0 HB2 LYS A 19 29.415 25.172 42.099 1.00 0.00 H new ATOM 0 HB3 LYS A 19 28.479 23.740 42.478 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.325 25.820 40.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.550 24.717 40.034 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.842 23.925 41.190 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.282 23.915 39.494 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.048 22.192 39.987 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.540 22.176 41.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.616 20.418 40.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.533 21.186 41.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.593 21.645 39.509 1.00 0.00 H new ATOM 284 N ASN A 20 28.978 27.524 43.995 1.00 0.00 N ATOM 285 CA ASN A 20 29.255 28.945 44.231 1.00 0.00 C ATOM 286 C ASN A 20 29.874 29.645 43.007 1.00 0.00 C ATOM 287 O ASN A 20 29.478 30.764 42.678 1.00 0.00 O ATOM 288 CB ASN A 20 30.170 29.052 45.458 1.00 0.00 C ATOM 289 CG ASN A 20 30.350 30.487 45.941 1.00 0.00 C ATOM 290 OD1 ASN A 20 29.392 31.216 46.154 1.00 0.00 O ATOM 291 ND2 ASN A 20 31.573 30.929 46.161 1.00 0.00 N ATOM 0 H ASN A 20 29.655 26.904 44.440 1.00 0.00 H new ATOM 0 HA ASN A 20 28.313 29.462 44.413 1.00 0.00 H new ATOM 0 HB2 ASN A 20 29.756 28.451 46.267 1.00 0.00 H new ATOM 0 HB3 ASN A 20 31.146 28.631 45.215 1.00 0.00 H new ATOM 0 HD21 ASN A 20 31.718 31.877 46.508 1.00 0.00 H new ATOM 0 HD22 ASN A 20 32.374 30.323 45.984 1.00 0.00 H new ATOM 298 N LEU A 21 30.800 28.975 42.314 1.00 0.00 N ATOM 299 CA LEU A 21 31.331 29.376 41.004 1.00 0.00 C ATOM 300 C LEU A 21 30.660 28.550 39.891 1.00 0.00 C ATOM 301 O LEU A 21 30.243 27.413 40.155 1.00 0.00 O ATOM 302 CB LEU A 21 32.864 29.177 40.985 1.00 0.00 C ATOM 303 CG LEU A 21 33.673 30.441 41.338 1.00 0.00 C ATOM 304 CD1 LEU A 21 33.321 31.006 42.720 1.00 0.00 C ATOM 305 CD2 LEU A 21 35.173 30.114 41.278 1.00 0.00 C ATOM 0 H LEU A 21 31.215 28.110 42.659 1.00 0.00 H new ATOM 0 HA LEU A 21 31.113 30.429 40.828 1.00 0.00 H new ATOM 0 HB2 LEU A 21 33.124 28.385 41.688 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.162 28.834 39.994 1.00 0.00 H new ATOM 0 HG LEU A 21 33.417 31.208 40.607 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.922 31.895 42.914 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.264 31.270 42.747 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.527 30.256 43.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.750 31.005 41.527 1.00 0.00 H new ATOM 0 HD22 LEU A 21 35.402 29.322 41.992 1.00 0.00 H new ATOM 0 HD23 LEU A 21 35.433 29.782 40.273 1.00 0.00 H new ATOM 317 N PRO A 22 30.605 29.068 38.647 1.00 0.00 N ATOM 318 CA PRO A 22 30.087 28.330 37.506 1.00 0.00 C ATOM 319 C PRO A 22 30.941 27.098 37.214 1.00 0.00 C ATOM 320 O PRO A 22 32.128 27.030 37.542 1.00 0.00 O ATOM 321 CB PRO A 22 30.077 29.309 36.325 1.00 0.00 C ATOM 322 CG PRO A 22 31.195 30.285 36.682 1.00 0.00 C ATOM 323 CD PRO A 22 31.097 30.366 38.206 1.00 0.00 C ATOM 0 HA PRO A 22 29.082 27.955 37.701 1.00 0.00 H new ATOM 0 HB2 PRO A 22 30.269 28.803 35.379 1.00 0.00 H new ATOM 0 HB3 PRO A 22 29.116 29.814 36.227 1.00 0.00 H new ATOM 0 HG2 PRO A 22 32.170 29.920 36.358 1.00 0.00 H new ATOM 0 HG3 PRO A 22 31.047 31.258 36.214 1.00 0.00 H new ATOM 0 HD2 PRO A 22 32.069 30.586 38.648 1.00 0.00 H new ATOM 0 HD3 PRO A 22 30.420 31.164 38.511 1.00 0.00 H new ATOM 331 N TYR A 23 30.308 26.121 36.578 1.00 0.00 N ATOM 332 CA TYR A 23 30.924 24.918 36.034 1.00 0.00 C ATOM 333 C TYR A 23 30.766 24.909 34.510 1.00 0.00 C ATOM 334 O TYR A 23 29.730 25.299 33.971 1.00 0.00 O ATOM 335 CB TYR A 23 30.289 23.680 36.683 1.00 0.00 C ATOM 336 CG TYR A 23 28.853 23.384 36.290 1.00 0.00 C ATOM 337 CD1 TYR A 23 27.786 24.072 36.902 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.587 22.407 35.314 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.456 23.790 36.535 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.262 22.115 34.948 1.00 0.00 C ATOM 341 CZ TYR A 23 26.197 22.810 35.553 1.00 0.00 C ATOM 342 OH TYR A 23 24.925 22.516 35.187 1.00 0.00 O ATOM 0 H TYR A 23 29.301 26.148 36.420 1.00 0.00 H new ATOM 0 HA TYR A 23 31.990 24.903 36.259 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.899 22.811 36.435 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.331 23.800 37.766 1.00 0.00 H new ATOM 0 HD1 TYR A 23 27.989 24.819 37.656 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.404 21.879 34.844 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.639 24.320 37.002 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.061 21.359 34.204 1.00 0.00 H new ATOM 0 HH TYR A 23 24.936 21.819 34.498 1.00 0.00 H new ATOM 352 N TYR A 24 31.797 24.467 33.794 1.00 0.00 N ATOM 353 CA TYR A 24 31.807 24.500 32.334 1.00 0.00 C ATOM 354 C TYR A 24 31.333 23.137 31.806 1.00 0.00 C ATOM 355 O TYR A 24 32.088 22.165 31.742 1.00 0.00 O ATOM 356 CB TYR A 24 33.192 24.943 31.837 1.00 0.00 C ATOM 357 CG TYR A 24 33.733 26.136 32.610 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.109 27.395 32.491 1.00 0.00 C ATOM 359 CD2 TYR A 24 34.757 25.950 33.559 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.477 28.453 33.345 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.122 27.000 34.420 1.00 0.00 C ATOM 362 CZ TYR A 24 34.466 28.248 34.332 1.00 0.00 C ATOM 363 OH TYR A 24 34.748 29.223 35.239 1.00 0.00 O ATOM 0 H TYR A 24 32.645 24.078 34.207 1.00 0.00 H new ATOM 0 HA TYR A 24 31.110 25.239 31.938 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.890 24.110 31.925 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.131 25.197 30.779 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.346 27.549 31.742 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.263 24.998 33.626 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.004 29.419 33.245 1.00 0.00 H new ATOM 0 HE2 TYR A 24 35.905 26.852 35.149 1.00 0.00 H new ATOM 0 HH TYR A 24 35.561 29.698 34.967 1.00 0.00 H new ATOM 373 N PHE A 25 30.041 23.053 31.497 1.00 0.00 N ATOM 374 CA PHE A 25 29.368 21.884 30.938 1.00 0.00 C ATOM 375 C PHE A 25 29.943 21.554 29.552 1.00 0.00 C ATOM 376 O PHE A 25 30.160 22.460 28.749 1.00 0.00 O ATOM 377 CB PHE A 25 27.873 22.228 30.879 1.00 0.00 C ATOM 378 CG PHE A 25 26.961 21.150 30.329 1.00 0.00 C ATOM 379 CD1 PHE A 25 26.725 21.064 28.945 1.00 0.00 C ATOM 380 CD2 PHE A 25 26.299 20.269 31.206 1.00 0.00 C ATOM 381 CE1 PHE A 25 25.832 20.100 28.444 1.00 0.00 C ATOM 382 CE2 PHE A 25 25.413 19.300 30.703 1.00 0.00 C ATOM 383 CZ PHE A 25 25.183 19.212 29.319 1.00 0.00 C ATOM 0 H PHE A 25 29.404 23.837 31.637 1.00 0.00 H new ATOM 0 HA PHE A 25 29.520 20.995 31.550 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.539 22.479 31.886 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.751 23.124 30.270 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.229 21.738 28.268 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.473 20.338 32.270 1.00 0.00 H new ATOM 0 HE1 PHE A 25 25.644 20.042 27.382 1.00 0.00 H new ATOM 0 HE2 PHE A 25 24.910 18.624 31.379 1.00 0.00 H new ATOM 0 HZ PHE A 25 24.509 18.464 28.929 1.00 0.00 H new ATOM 393 N ASN A 26 30.172 20.275 29.241 1.00 0.00 N ATOM 394 CA ASN A 26 30.580 19.878 27.893 1.00 0.00 C ATOM 395 C ASN A 26 29.334 19.756 26.974 1.00 0.00 C ATOM 396 O ASN A 26 28.460 18.921 27.235 1.00 0.00 O ATOM 397 CB ASN A 26 31.444 18.606 27.939 1.00 0.00 C ATOM 398 CG ASN A 26 32.056 18.268 26.577 1.00 0.00 C ATOM 399 OD1 ASN A 26 31.550 18.645 25.528 1.00 0.00 O ATOM 400 ND2 ASN A 26 33.191 17.598 26.543 1.00 0.00 N ATOM 0 H ASN A 26 30.082 19.502 29.901 1.00 0.00 H new ATOM 0 HA ASN A 26 31.213 20.650 27.455 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.242 18.738 28.670 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.835 17.768 28.279 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.639 17.398 25.649 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.621 17.279 27.411 1.00 0.00 H new ATOM 407 N PRO A 27 29.217 20.578 25.906 1.00 0.00 N ATOM 408 CA PRO A 27 28.080 20.552 24.984 1.00 0.00 C ATOM 409 C PRO A 27 28.016 19.309 24.097 1.00 0.00 C ATOM 410 O PRO A 27 26.947 19.019 23.558 1.00 0.00 O ATOM 411 CB PRO A 27 28.241 21.794 24.108 1.00 0.00 C ATOM 412 CG PRO A 27 29.738 22.090 24.139 1.00 0.00 C ATOM 413 CD PRO A 27 30.126 21.660 25.546 1.00 0.00 C ATOM 0 HA PRO A 27 27.155 20.533 25.561 1.00 0.00 H new ATOM 0 HB2 PRO A 27 27.893 21.611 23.091 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.662 22.632 24.497 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.279 21.527 23.378 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.947 23.145 23.964 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.163 21.325 25.579 1.00 0.00 H new ATOM 0 HD3 PRO A 27 30.038 22.491 26.245 1.00 0.00 H new ATOM 421 N ALA A 28 29.134 18.594 23.927 1.00 0.00 N ATOM 422 CA ALA A 28 29.205 17.387 23.119 1.00 0.00 C ATOM 423 C ALA A 28 28.859 16.158 23.982 1.00 0.00 C ATOM 424 O ALA A 28 27.673 15.881 24.211 1.00 0.00 O ATOM 425 CB ALA A 28 30.584 17.339 22.436 1.00 0.00 C ATOM 0 H ALA A 28 30.024 18.847 24.356 1.00 0.00 H new ATOM 0 HA ALA A 28 28.464 17.385 22.319 1.00 0.00 H new ATOM 0 HB1 ALA A 28 30.656 16.439 21.825 1.00 0.00 H new ATOM 0 HB2 ALA A 28 30.708 18.218 21.804 1.00 0.00 H new ATOM 0 HB3 ALA A 28 31.366 17.325 23.195 1.00 0.00 H new ATOM 431 N THR A 29 29.878 15.448 24.484 1.00 0.00 N ATOM 432 CA THR A 29 29.756 14.365 25.473 1.00 0.00 C ATOM 433 C THR A 29 29.215 14.901 26.796 1.00 0.00 C ATOM 434 O THR A 29 29.422 16.062 27.140 1.00 0.00 O ATOM 435 CB THR A 29 31.102 13.651 25.678 1.00 0.00 C ATOM 436 OG1 THR A 29 32.178 14.567 25.681 1.00 0.00 O ATOM 437 CG2 THR A 29 31.370 12.662 24.547 1.00 0.00 C ATOM 0 H THR A 29 30.844 15.617 24.204 1.00 0.00 H new ATOM 0 HA THR A 29 29.046 13.633 25.087 1.00 0.00 H new ATOM 0 HB THR A 29 31.034 13.140 26.638 1.00 0.00 H new ATOM 0 HG1 THR A 29 33.019 14.083 25.815 1.00 0.00 H new ATOM 0 HG21 THR A 29 32.328 12.169 24.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 30.577 11.915 24.522 1.00 0.00 H new ATOM 0 HG23 THR A 29 31.397 13.195 23.596 1.00 0.00 H new ATOM 445 N ARG A 30 28.500 14.065 27.551 1.00 0.00 N ATOM 446 CA ARG A 30 27.897 14.459 28.828 1.00 0.00 C ATOM 447 C ARG A 30 28.972 14.435 29.924 1.00 0.00 C ATOM 448 O ARG A 30 29.258 13.386 30.498 1.00 0.00 O ATOM 449 CB ARG A 30 26.688 13.568 29.184 1.00 0.00 C ATOM 450 CG ARG A 30 25.415 13.855 28.360 1.00 0.00 C ATOM 451 CD ARG A 30 25.423 13.350 26.908 1.00 0.00 C ATOM 452 NE ARG A 30 25.551 11.887 26.848 1.00 0.00 N ATOM 453 CZ ARG A 30 24.584 10.978 26.805 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.306 11.276 26.698 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.909 9.708 26.879 1.00 0.00 N ATOM 0 H ARG A 30 28.322 13.094 27.295 1.00 0.00 H new ATOM 0 HA ARG A 30 27.510 15.474 28.741 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.969 12.524 29.043 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.457 13.696 30.242 1.00 0.00 H new ATOM 0 HG2 ARG A 30 24.565 13.407 28.875 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.249 14.932 28.348 1.00 0.00 H new ATOM 0 HD2 ARG A 30 24.503 13.657 26.410 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.248 13.811 26.366 1.00 0.00 H new ATOM 0 HE ARG A 30 26.504 11.524 26.838 1.00 0.00 H new ATOM 0 HH11 ARG A 30 23.013 12.251 26.643 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.609 10.532 26.670 1.00 0.00 H new ATOM 0 HH21 ARG A 30 25.888 9.436 26.968 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.182 8.993 26.848 1.00 0.00 H new ATOM 469 N GLU A 31 29.577 15.590 30.199 1.00 0.00 N ATOM 470 CA GLU A 31 30.638 15.774 31.199 1.00 0.00 C ATOM 471 C GLU A 31 30.740 17.263 31.603 1.00 0.00 C ATOM 472 O GLU A 31 29.959 18.093 31.131 1.00 0.00 O ATOM 473 CB GLU A 31 31.976 15.217 30.654 1.00 0.00 C ATOM 474 CG GLU A 31 32.839 14.526 31.723 1.00 0.00 C ATOM 475 CD GLU A 31 32.363 13.105 32.036 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.734 12.150 31.315 1.00 0.00 O ATOM 477 OE2 GLU A 31 31.651 12.895 33.043 1.00 0.00 O ATOM 0 H GLU A 31 29.336 16.456 29.717 1.00 0.00 H new ATOM 0 HA GLU A 31 30.394 15.214 32.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 31.765 14.506 29.855 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.546 16.034 30.212 1.00 0.00 H new ATOM 0 HG2 GLU A 31 33.874 14.492 31.383 1.00 0.00 H new ATOM 0 HG3 GLU A 31 32.823 15.120 32.637 1.00 0.00 H new ATOM 484 N SER A 32 31.681 17.638 32.469 1.00 0.00 N ATOM 485 CA SER A 32 31.922 19.027 32.884 1.00 0.00 C ATOM 486 C SER A 32 33.340 19.241 33.434 1.00 0.00 C ATOM 487 O SER A 32 33.907 18.358 34.088 1.00 0.00 O ATOM 488 CB SER A 32 30.884 19.510 33.919 1.00 0.00 C ATOM 489 OG SER A 32 30.889 18.732 35.108 1.00 0.00 O ATOM 0 H SER A 32 32.313 16.972 32.914 1.00 0.00 H new ATOM 0 HA SER A 32 31.817 19.625 31.979 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.086 20.551 34.171 1.00 0.00 H new ATOM 0 HB3 SER A 32 29.890 19.477 33.473 1.00 0.00 H new ATOM 0 HG SER A 32 30.216 19.080 35.730 1.00 0.00 H new ATOM 495 N ARG A 33 33.880 20.440 33.176 1.00 0.00 N ATOM 496 CA ARG A 33 35.142 20.970 33.696 1.00 0.00 C ATOM 497 C ARG A 33 34.839 21.942 34.844 1.00 0.00 C ATOM 498 O ARG A 33 33.990 22.824 34.717 1.00 0.00 O ATOM 499 CB ARG A 33 35.880 21.691 32.553 1.00 0.00 C ATOM 500 CG ARG A 33 37.400 21.841 32.743 1.00 0.00 C ATOM 501 CD ARG A 33 38.186 20.528 32.619 1.00 0.00 C ATOM 502 NE ARG A 33 37.899 19.828 31.352 1.00 0.00 N ATOM 503 CZ ARG A 33 38.425 18.683 30.941 1.00 0.00 C ATOM 504 NH1 ARG A 33 39.349 18.046 31.623 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.006 18.168 29.809 1.00 0.00 N ATOM 0 H ARG A 33 33.415 21.106 32.559 1.00 0.00 H new ATOM 0 HA ARG A 33 35.772 20.166 34.076 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.698 21.148 31.626 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.446 22.683 32.431 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.778 22.548 32.005 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.590 22.273 33.725 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.254 20.737 32.683 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.938 19.877 33.457 1.00 0.00 H new ATOM 0 HE ARG A 33 37.226 20.272 30.727 1.00 0.00 H new ATOM 0 HH11 ARG A 33 39.688 18.430 32.505 1.00 0.00 H new ATOM 0 HH12 ARG A 33 39.728 17.167 31.271 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.289 18.648 29.265 1.00 0.00 H new ATOM 0 HH22 ARG A 33 38.397 17.288 29.474 1.00 0.00 H new ATOM 519 N TRP A 34 35.532 21.790 35.970 1.00 0.00 N ATOM 520 CA TRP A 34 35.127 22.382 37.254 1.00 0.00 C ATOM 521 C TRP A 34 35.621 23.824 37.446 1.00 0.00 C ATOM 522 O TRP A 34 34.944 24.680 38.012 1.00 0.00 O ATOM 523 CB TRP A 34 35.674 21.466 38.367 1.00 0.00 C ATOM 524 CG TRP A 34 35.623 20.003 38.042 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.553 19.194 38.201 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.626 19.201 37.342 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.823 17.958 37.650 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.068 17.919 37.060 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.926 19.456 36.851 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.750 16.952 36.308 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.628 18.482 36.117 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.042 17.235 35.837 1.00 0.00 C ATOM 0 H TRP A 34 36.396 21.251 36.023 1.00 0.00 H new ATOM 0 HA TRP A 34 34.039 22.448 37.284 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.707 21.744 38.576 1.00 0.00 H new ATOM 0 HB3 TRP A 34 35.106 21.644 39.280 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.628 19.472 38.685 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.178 17.168 37.676 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.388 20.413 37.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 36.287 16.000 36.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.627 18.694 35.765 1.00 0.00 H new ATOM 0 HH2 TRP A 34 38.583 16.498 35.262 1.00 0.00 H new ATOM 543 N GLU A 35 36.836 24.069 36.966 1.00 0.00 N ATOM 544 CA GLU A 35 37.699 25.234 37.184 1.00 0.00 C ATOM 545 C GLU A 35 38.627 25.333 35.959 1.00 0.00 C ATOM 546 O GLU A 35 38.759 24.325 35.250 1.00 0.00 O ATOM 547 CB GLU A 35 38.541 25.002 38.456 1.00 0.00 C ATOM 548 CG GLU A 35 37.726 25.003 39.757 1.00 0.00 C ATOM 549 CD GLU A 35 38.585 24.623 40.955 1.00 0.00 C ATOM 550 OE1 GLU A 35 39.083 23.472 41.000 1.00 0.00 O ATOM 551 OE2 GLU A 35 38.705 25.440 41.895 1.00 0.00 O ATOM 0 H GLU A 35 37.289 23.391 36.353 1.00 0.00 H new ATOM 0 HA GLU A 35 37.118 26.148 37.308 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.060 24.048 38.366 1.00 0.00 H new ATOM 0 HB3 GLU A 35 39.306 25.776 38.519 1.00 0.00 H new ATOM 0 HG2 GLU A 35 37.295 25.991 39.916 1.00 0.00 H new ATOM 0 HG3 GLU A 35 36.895 24.303 39.667 1.00 0.00 H new ATOM 558 N PRO A 36 39.295 26.472 35.691 1.00 0.00 N ATOM 559 CA PRO A 36 40.235 26.584 34.576 1.00 0.00 C ATOM 560 C PRO A 36 41.357 25.533 34.706 1.00 0.00 C ATOM 561 O PRO A 36 42.087 25.564 35.702 1.00 0.00 O ATOM 562 CB PRO A 36 40.769 28.021 34.615 1.00 0.00 C ATOM 563 CG PRO A 36 40.532 28.450 36.061 1.00 0.00 C ATOM 564 CD PRO A 36 39.227 27.738 36.408 1.00 0.00 C ATOM 0 HA PRO A 36 39.758 26.387 33.616 1.00 0.00 H new ATOM 0 HB2 PRO A 36 41.826 28.064 34.352 1.00 0.00 H new ATOM 0 HB3 PRO A 36 40.239 28.665 33.913 1.00 0.00 H new ATOM 0 HG2 PRO A 36 41.348 28.142 36.714 1.00 0.00 H new ATOM 0 HG3 PRO A 36 40.441 29.532 36.153 1.00 0.00 H new ATOM 0 HD2 PRO A 36 39.136 27.580 37.483 1.00 0.00 H new ATOM 0 HD3 PRO A 36 38.362 28.323 36.097 1.00 0.00 H new ATOM 572 N PRO A 37 41.488 24.593 33.746 1.00 0.00 N ATOM 573 CA PRO A 37 42.511 23.547 33.757 1.00 0.00 C ATOM 574 C PRO A 37 43.865 24.093 33.295 1.00 0.00 C ATOM 575 O PRO A 37 43.928 25.172 32.715 1.00 0.00 O ATOM 576 CB PRO A 37 41.989 22.490 32.779 1.00 0.00 C ATOM 577 CG PRO A 37 41.228 23.311 31.749 1.00 0.00 C ATOM 578 CD PRO A 37 40.607 24.409 32.597 1.00 0.00 C ATOM 0 HA PRO A 37 42.675 23.145 34.757 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.803 21.927 32.323 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.341 21.768 33.276 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.890 23.715 30.983 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.471 22.718 31.236 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.514 25.334 32.027 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.603 24.130 32.918 1.00 0.00 H new ATOM 586 N ALA A 38 44.946 23.326 33.469 1.00 0.00 N ATOM 587 CA ALA A 38 46.249 23.658 32.874 1.00 0.00 C ATOM 588 C ALA A 38 46.199 23.725 31.329 1.00 0.00 C ATOM 589 O ALA A 38 46.893 24.529 30.709 1.00 0.00 O ATOM 590 CB ALA A 38 47.272 22.626 33.369 1.00 0.00 C ATOM 0 H ALA A 38 44.946 22.467 34.019 1.00 0.00 H new ATOM 0 HA ALA A 38 46.544 24.658 33.192 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.250 22.849 32.942 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.333 22.667 34.457 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.960 21.628 33.061 1.00 0.00 H new ATOM 596 N ASP A 39 45.316 22.937 30.708 1.00 0.00 N ATOM 597 CA ASP A 39 45.138 22.775 29.255 1.00 0.00 C ATOM 598 C ASP A 39 44.646 24.031 28.492 1.00 0.00 C ATOM 599 O ASP A 39 44.594 24.044 27.257 1.00 0.00 O ATOM 600 CB ASP A 39 44.140 21.621 29.078 1.00 0.00 C ATOM 601 CG ASP A 39 44.076 21.074 27.657 1.00 0.00 C ATOM 602 OD1 ASP A 39 45.088 20.521 27.171 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.984 21.124 27.047 1.00 0.00 O ATOM 0 H ASP A 39 44.664 22.357 31.236 1.00 0.00 H new ATOM 0 HA ASP A 39 46.117 22.579 28.817 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.411 20.812 29.757 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.147 21.964 29.370 1.00 0.00 H new ATOM 608 N THR A 40 44.245 25.073 29.228 1.00 0.00 N ATOM 609 CA THR A 40 43.568 26.280 28.724 1.00 0.00 C ATOM 610 C THR A 40 44.550 27.365 28.273 1.00 0.00 C ATOM 611 O THR A 40 45.741 27.305 28.573 1.00 0.00 O ATOM 612 CB THR A 40 42.597 26.740 29.814 1.00 0.00 C ATOM 613 OG1 THR A 40 41.670 27.655 29.311 1.00 0.00 O ATOM 614 CG2 THR A 40 43.292 27.481 30.955 1.00 0.00 C ATOM 0 H THR A 40 44.388 25.103 30.237 1.00 0.00 H new ATOM 0 HA THR A 40 43.010 26.053 27.815 1.00 0.00 H new ATOM 0 HB THR A 40 42.131 25.821 30.170 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.519 27.478 28.359 1.00 0.00 H new ATOM 0 HG21 THR A 40 42.553 27.782 31.697 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.027 26.825 31.421 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.793 28.366 30.562 1.00 0.00 H new ATOM 622 N ASP A 41 44.036 28.377 27.569 1.00 0.00 N ATOM 623 CA ASP A 41 44.802 29.479 26.978 1.00 0.00 C ATOM 624 C ASP A 41 44.809 30.695 27.911 1.00 0.00 C ATOM 625 O ASP A 41 44.387 31.783 27.536 1.00 0.00 O ATOM 626 CB ASP A 41 44.241 29.842 25.588 1.00 0.00 C ATOM 627 CG ASP A 41 45.199 30.695 24.750 1.00 0.00 C ATOM 628 OD1 ASP A 41 46.412 30.382 24.691 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.732 31.654 24.091 1.00 0.00 O ATOM 0 H ASP A 41 43.035 28.455 27.388 1.00 0.00 H new ATOM 0 HA ASP A 41 45.834 29.154 26.849 1.00 0.00 H new ATOM 0 HB2 ASP A 41 44.013 28.925 25.045 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.301 30.380 25.713 1.00 0.00 H new ATOM 634 N MET A 42 45.233 30.492 29.159 1.00 0.00 N ATOM 635 CA MET A 42 45.465 31.505 30.200 1.00 0.00 C ATOM 636 C MET A 42 45.900 32.896 29.701 1.00 0.00 C ATOM 637 O MET A 42 45.356 33.874 30.197 1.00 0.00 O ATOM 638 CB MET A 42 46.452 30.941 31.223 1.00 0.00 C ATOM 639 CG MET A 42 45.813 29.757 31.956 1.00 0.00 C ATOM 640 SD MET A 42 46.582 29.408 33.549 1.00 0.00 S ATOM 641 CE MET A 42 45.742 27.836 33.852 1.00 0.00 C ATOM 0 H MET A 42 45.439 29.552 29.497 1.00 0.00 H new ATOM 0 HA MET A 42 44.495 31.700 30.657 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.366 30.621 30.723 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.733 31.715 31.937 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.753 29.962 32.109 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.879 28.870 31.326 1.00 0.00 H new ATOM 0 HE1 MET A 42 46.071 27.426 34.807 1.00 0.00 H new ATOM 0 HE2 MET A 42 44.665 27.999 33.879 1.00 0.00 H new ATOM 0 HE3 MET A 42 45.983 27.135 33.053 1.00 0.00 H new ATOM 651 N GLU A 43 46.750 33.037 28.681 1.00 0.00 N ATOM 652 CA GLU A 43 47.058 34.354 28.084 1.00 0.00 C ATOM 653 C GLU A 43 45.805 35.145 27.617 1.00 0.00 C ATOM 654 O GLU A 43 45.712 36.359 27.819 1.00 0.00 O ATOM 655 CB GLU A 43 48.042 34.145 26.925 1.00 0.00 C ATOM 656 CG GLU A 43 48.516 35.463 26.304 1.00 0.00 C ATOM 657 CD GLU A 43 49.653 35.211 25.327 1.00 0.00 C ATOM 658 OE1 GLU A 43 49.392 34.807 24.167 1.00 0.00 O ATOM 659 OE2 GLU A 43 50.828 35.391 25.718 1.00 0.00 O ATOM 0 H GLU A 43 47.242 32.257 28.245 1.00 0.00 H new ATOM 0 HA GLU A 43 47.504 34.973 28.863 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.906 33.586 27.284 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.566 33.536 26.156 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.687 35.949 25.789 1.00 0.00 H new ATOM 0 HG3 GLU A 43 48.847 36.144 27.089 1.00 0.00 H new ATOM 666 N THR A 44 44.819 34.455 27.039 1.00 0.00 N ATOM 667 CA THR A 44 43.480 34.947 26.652 1.00 0.00 C ATOM 668 C THR A 44 42.497 34.963 27.820 1.00 0.00 C ATOM 669 O THR A 44 41.444 35.586 27.748 1.00 0.00 O ATOM 670 CB THR A 44 42.967 34.052 25.507 1.00 0.00 C ATOM 671 OG1 THR A 44 43.911 34.148 24.463 1.00 0.00 O ATOM 672 CG2 THR A 44 41.617 34.490 24.932 1.00 0.00 C ATOM 0 H THR A 44 44.936 33.468 26.810 1.00 0.00 H new ATOM 0 HA THR A 44 43.561 35.984 26.326 1.00 0.00 H new ATOM 0 HB THR A 44 42.837 33.047 25.908 1.00 0.00 H new ATOM 0 HG1 THR A 44 44.126 33.251 24.133 1.00 0.00 H new ATOM 0 HG21 THR A 44 41.325 33.810 24.131 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.863 34.470 25.719 1.00 0.00 H new ATOM 0 HG23 THR A 44 41.701 35.502 24.536 1.00 0.00 H new ATOM 680 N LEU A 45 42.811 34.264 28.906 1.00 0.00 N ATOM 681 CA LEU A 45 41.805 33.697 29.799 1.00 0.00 C ATOM 682 C LEU A 45 41.966 34.165 31.250 1.00 0.00 C ATOM 683 O LEU A 45 40.968 34.244 31.955 1.00 0.00 O ATOM 684 CB LEU A 45 41.869 32.184 29.522 1.00 0.00 C ATOM 685 CG LEU A 45 40.936 31.174 30.201 1.00 0.00 C ATOM 686 CD1 LEU A 45 41.461 30.795 31.595 1.00 0.00 C ATOM 687 CD2 LEU A 45 39.514 31.639 30.274 1.00 0.00 C ATOM 0 H LEU A 45 43.771 34.074 29.193 1.00 0.00 H new ATOM 0 HA LEU A 45 40.790 34.048 29.611 1.00 0.00 H new ATOM 0 HB2 LEU A 45 41.732 32.059 28.448 1.00 0.00 H new ATOM 0 HB3 LEU A 45 42.887 31.869 29.752 1.00 0.00 H new ATOM 0 HG LEU A 45 40.935 30.285 29.570 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.782 30.078 32.057 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.452 30.350 31.502 1.00 0.00 H new ATOM 0 HD13 LEU A 45 41.522 31.689 32.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 38.907 30.878 30.765 1.00 0.00 H new ATOM 0 HD22 LEU A 45 39.463 32.567 30.843 1.00 0.00 H new ATOM 0 HD23 LEU A 45 39.135 31.810 29.266 1.00 0.00 H new ATOM 699 N LYS A 46 43.132 34.658 31.679 1.00 0.00 N ATOM 700 CA LYS A 46 43.212 35.561 32.842 1.00 0.00 C ATOM 701 C LYS A 46 42.405 36.856 32.610 1.00 0.00 C ATOM 702 O LYS A 46 41.893 37.430 33.568 1.00 0.00 O ATOM 703 CB LYS A 46 44.680 35.905 33.171 1.00 0.00 C ATOM 704 CG LYS A 46 45.371 34.964 34.174 1.00 0.00 C ATOM 705 CD LYS A 46 45.577 33.530 33.667 1.00 0.00 C ATOM 706 CE LYS A 46 44.587 32.481 34.207 1.00 0.00 C ATOM 707 NZ LYS A 46 44.827 32.193 35.644 1.00 0.00 N ATOM 0 H LYS A 46 44.031 34.451 31.244 1.00 0.00 H new ATOM 0 HA LYS A 46 42.775 35.035 33.691 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.252 35.903 32.243 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.717 36.920 33.566 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.341 35.385 34.438 1.00 0.00 H new ATOM 0 HG3 LYS A 46 44.779 34.931 35.088 1.00 0.00 H new ATOM 0 HD2 LYS A 46 45.513 33.536 32.579 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.588 33.215 33.925 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.566 32.840 34.073 1.00 0.00 H new ATOM 0 HE3 LYS A 46 44.680 31.561 33.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.143 31.483 35.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.793 31.828 35.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.714 33.067 36.197 1.00 0.00 H new ATOM 721 N MET A 47 42.219 37.268 31.345 1.00 0.00 N ATOM 722 CA MET A 47 41.316 38.369 30.967 1.00 0.00 C ATOM 723 C MET A 47 39.833 38.038 31.211 1.00 0.00 C ATOM 724 O MET A 47 39.011 38.945 31.293 1.00 0.00 O ATOM 725 CB MET A 47 41.517 38.750 29.488 1.00 0.00 C ATOM 726 CG MET A 47 42.976 38.948 29.046 1.00 0.00 C ATOM 727 SD MET A 47 44.000 39.962 30.148 1.00 0.00 S ATOM 728 CE MET A 47 45.185 40.555 28.913 1.00 0.00 C ATOM 0 H MET A 47 42.695 36.843 30.549 1.00 0.00 H new ATOM 0 HA MET A 47 41.575 39.211 31.609 1.00 0.00 H new ATOM 0 HB2 MET A 47 41.070 37.973 28.867 1.00 0.00 H new ATOM 0 HB3 MET A 47 40.968 39.671 29.291 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.442 37.968 28.946 1.00 0.00 H new ATOM 0 HG3 MET A 47 42.978 39.404 28.056 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.915 41.207 29.393 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.698 39.705 28.463 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.656 41.110 28.139 1.00 0.00 H new ATOM 738 N TYR A 48 39.493 36.749 31.329 1.00 0.00 N ATOM 739 CA TYR A 48 38.128 36.246 31.516 1.00 0.00 C ATOM 740 C TYR A 48 37.868 35.799 32.966 1.00 0.00 C ATOM 741 O TYR A 48 36.936 36.278 33.617 1.00 0.00 O ATOM 742 CB TYR A 48 37.931 35.089 30.526 1.00 0.00 C ATOM 743 CG TYR A 48 36.693 34.259 30.793 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.427 34.750 30.427 1.00 0.00 C ATOM 745 CD2 TYR A 48 36.806 32.994 31.406 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.277 33.978 30.670 1.00 0.00 C ATOM 747 CE2 TYR A 48 35.662 32.213 31.632 1.00 0.00 C ATOM 748 CZ TYR A 48 34.387 32.708 31.278 1.00 0.00 C ATOM 749 OH TYR A 48 33.278 31.951 31.488 1.00 0.00 O ATOM 0 H TYR A 48 40.186 36.001 31.296 1.00 0.00 H new ATOM 0 HA TYR A 48 37.409 37.042 31.323 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.875 35.494 29.515 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.806 34.440 30.561 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.338 35.720 29.960 1.00 0.00 H new ATOM 0 HD2 TYR A 48 37.777 32.625 31.703 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.305 34.358 30.390 1.00 0.00 H new ATOM 0 HE2 TYR A 48 35.756 31.233 32.077 1.00 0.00 H new ATOM 0 HH TYR A 48 33.534 31.107 31.915 1.00 0.00 H new ATOM 759 N MET A 49 38.725 34.908 33.480 1.00 0.00 N ATOM 760 CA MET A 49 38.683 34.330 34.831 1.00 0.00 C ATOM 761 C MET A 49 38.923 35.363 35.947 1.00 0.00 C ATOM 762 O MET A 49 38.572 35.107 37.101 1.00 0.00 O ATOM 763 CB MET A 49 39.720 33.188 34.918 1.00 0.00 C ATOM 764 CG MET A 49 39.312 31.901 34.186 1.00 0.00 C ATOM 765 SD MET A 49 37.679 31.195 34.572 1.00 0.00 S ATOM 766 CE MET A 49 37.766 31.157 36.386 1.00 0.00 C ATOM 0 H MET A 49 39.510 34.551 32.935 1.00 0.00 H new ATOM 0 HA MET A 49 37.675 33.947 34.993 1.00 0.00 H new ATOM 0 HB2 MET A 49 40.666 33.541 34.507 1.00 0.00 H new ATOM 0 HB3 MET A 49 39.897 32.954 35.968 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.348 32.098 33.115 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.065 31.141 34.396 1.00 0.00 H new ATOM 0 HE1 MET A 49 37.179 30.319 36.761 1.00 0.00 H new ATOM 0 HE2 MET A 49 38.804 31.042 36.698 1.00 0.00 H new ATOM 0 HE3 MET A 49 37.367 32.088 36.789 1.00 0.00 H new ATOM 776 N ALA A 50 39.478 36.528 35.613 1.00 0.00 N ATOM 777 CA ALA A 50 39.654 37.685 36.487 1.00 0.00 C ATOM 778 C ALA A 50 39.338 38.989 35.717 1.00 0.00 C ATOM 779 O ALA A 50 38.975 38.943 34.536 1.00 0.00 O ATOM 780 CB ALA A 50 41.083 37.624 37.045 1.00 0.00 C ATOM 0 H ALA A 50 39.836 36.698 34.673 1.00 0.00 H new ATOM 0 HA ALA A 50 38.959 37.672 37.327 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.253 38.475 37.705 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.216 36.698 37.605 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.797 37.655 36.222 1.00 0.00 H new ATOM 786 N THR A 51 39.432 40.145 36.390 1.00 0.00 N ATOM 787 CA THR A 51 39.017 41.457 35.855 1.00 0.00 C ATOM 788 C THR A 51 40.210 42.352 35.528 1.00 0.00 C ATOM 789 O THR A 51 40.779 43.016 36.402 1.00 0.00 O ATOM 790 CB THR A 51 38.000 42.137 36.782 1.00 0.00 C ATOM 791 OG1 THR A 51 38.451 42.103 38.120 1.00 0.00 O ATOM 792 CG2 THR A 51 36.660 41.404 36.720 1.00 0.00 C ATOM 0 H THR A 51 39.805 40.199 37.338 1.00 0.00 H new ATOM 0 HA THR A 51 38.512 41.280 34.905 1.00 0.00 H new ATOM 0 HB THR A 51 37.885 43.169 36.452 1.00 0.00 H new ATOM 0 HG1 THR A 51 39.386 42.393 38.157 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.946 41.895 37.381 1.00 0.00 H new ATOM 0 HG22 THR A 51 36.281 41.424 35.698 1.00 0.00 H new ATOM 0 HG23 THR A 51 36.796 40.370 37.036 1.00 0.00 H new ATOM 800 N TYR A 52 40.558 42.370 34.242 1.00 0.00 N ATOM 801 CA TYR A 52 41.560 43.230 33.598 1.00 0.00 C ATOM 802 C TYR A 52 40.999 44.638 33.277 1.00 0.00 C ATOM 803 O TYR A 52 39.794 44.878 33.421 1.00 0.00 O ATOM 804 CB TYR A 52 42.040 42.489 32.337 1.00 0.00 C ATOM 805 CG TYR A 52 43.261 43.068 31.652 1.00 0.00 C ATOM 806 CD1 TYR A 52 44.531 42.917 32.241 1.00 0.00 C ATOM 807 CD2 TYR A 52 43.135 43.722 30.411 1.00 0.00 C ATOM 808 CE1 TYR A 52 45.678 43.396 31.581 1.00 0.00 C ATOM 809 CE2 TYR A 52 44.278 44.208 29.748 1.00 0.00 C ATOM 810 CZ TYR A 52 45.556 44.035 30.327 1.00 0.00 C ATOM 811 OH TYR A 52 46.667 44.471 29.675 1.00 0.00 O ATOM 0 H TYR A 52 40.118 41.740 33.571 1.00 0.00 H new ATOM 0 HA TYR A 52 42.398 43.411 34.271 1.00 0.00 H new ATOM 0 HB2 TYR A 52 42.255 41.455 32.607 1.00 0.00 H new ATOM 0 HB3 TYR A 52 41.221 42.467 31.618 1.00 0.00 H new ATOM 0 HD1 TYR A 52 44.625 42.432 33.202 1.00 0.00 H new ATOM 0 HD2 TYR A 52 42.159 43.851 29.967 1.00 0.00 H new ATOM 0 HE1 TYR A 52 46.651 43.275 32.033 1.00 0.00 H new ATOM 0 HE2 TYR A 52 44.179 44.712 28.798 1.00 0.00 H new ATOM 0 HH TYR A 52 46.406 44.886 28.826 1.00 0.00 H new ATOM 821 N HIS A 53 41.854 45.579 32.846 1.00 0.00 N ATOM 822 CA HIS A 53 41.505 46.997 32.631 1.00 0.00 C ATOM 823 C HIS A 53 42.364 47.659 31.559 1.00 0.00 C ATOM 824 O HIS A 53 43.599 47.753 31.759 1.00 0.00 O ATOM 825 CB HIS A 53 41.603 47.732 33.985 1.00 0.00 C ATOM 826 CG HIS A 53 41.132 49.166 33.971 1.00 0.00 C ATOM 827 ND1 HIS A 53 41.771 50.216 33.310 1.00 0.00 N ATOM 828 CD2 HIS A 53 40.030 49.652 34.605 1.00 0.00 C ATOM 829 CE1 HIS A 53 41.002 51.300 33.515 1.00 0.00 C ATOM 830 NE2 HIS A 53 39.960 50.994 34.295 1.00 0.00 N ATOM 831 OXT HIS A 53 41.800 48.160 30.564 1.00 0.00 O ATOM 0 H HIS A 53 42.830 45.373 32.632 1.00 0.00 H new ATOM 0 HA HIS A 53 40.484 47.057 32.253 1.00 0.00 H new ATOM 0 HB2 HIS A 53 41.019 47.181 34.723 1.00 0.00 H new ATOM 0 HB3 HIS A 53 42.641 47.710 34.318 1.00 0.00 H new ATOM 0 HD2 HIS A 53 39.345 49.096 35.228 1.00 0.00 H new ATOM 0 HE1 HIS A 53 41.199 52.280 33.107 1.00 0.00 H new ATOM 0 HE2 HIS A 53 39.237 51.642 34.607 1.00 0.00 H new TER 839 HIS A 53