USER MOD reduce.3.24.130724 H: found=0, std=0, add=234, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 235 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 34 TYR OH : rot -159:sc= 0.345 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.348 K(o=0.69,f=-0.32) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0.913 USER MOD Set 2.2: A 28 GLN : amide:sc= 0.739 K(o=1.7,f=-1.8!) USER MOD Set 3.1: A 4 GLN : amide:sc= 0.00729 K(o=0.21,f=-1) USER MOD Set 3.2: A 15 TYR OH : rot -173:sc= 0.201 USER MOD Single : A 3 THR OG1 : rot 37:sc= 0.268 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 6 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-1.7) USER MOD Single : A 9 GLN : amide:sc=-0.00507 X(o=-0.0051,f=-0.11) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 23 SER OG : rot 25:sc= 0.0492 USER MOD Single : A 25 THR OG1 : rot -5:sc= 0.839 USER MOD Single : A 29 TYR OH : rot -165:sc= 0.271 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.8) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -4:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 14 N CYS A 2 -7.149 8.300 -2.468 1.00 0.00 N ATOM 15 CA CYS A 2 -6.340 8.988 -1.465 1.00 0.00 C ATOM 16 C CYS A 2 -4.834 8.957 -1.791 1.00 0.00 C ATOM 17 O CYS A 2 -4.354 8.050 -2.473 1.00 0.00 O ATOM 18 CB CYS A 2 -6.650 8.428 -0.055 1.00 0.00 C ATOM 19 SG CYS A 2 -5.721 6.988 0.587 1.00 0.00 S ATOM 0 HA CYS A 2 -6.616 10.042 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.512 9.244 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -7.708 8.165 -0.037 1.00 0.00 H new ATOM 24 N THR A 3 -4.079 9.931 -1.260 1.00 0.00 N ATOM 25 CA THR A 3 -2.632 9.836 -1.099 1.00 0.00 C ATOM 26 C THR A 3 -2.404 9.009 0.168 1.00 0.00 C ATOM 27 O THR A 3 -2.652 9.475 1.281 1.00 0.00 O ATOM 28 CB THR A 3 -1.963 11.221 -1.028 1.00 0.00 C ATOM 29 OG1 THR A 3 -2.573 12.047 -0.053 1.00 0.00 O ATOM 30 CG2 THR A 3 -1.996 11.922 -2.394 1.00 0.00 C ATOM 0 H THR A 3 -4.467 10.814 -0.929 1.00 0.00 H new ATOM 0 HA THR A 3 -2.171 9.357 -1.962 1.00 0.00 H new ATOM 0 HB THR A 3 -0.925 11.057 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.832 11.504 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.517 12.898 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.464 11.316 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.031 12.051 -2.712 1.00 0.00 H new ATOM 38 N GLN A 4 -2.002 7.750 -0.027 1.00 0.00 N ATOM 39 CA GLN A 4 -2.034 6.705 0.980 1.00 0.00 C ATOM 40 C GLN A 4 -0.909 6.934 2.002 1.00 0.00 C ATOM 41 O GLN A 4 0.202 7.272 1.600 1.00 0.00 O ATOM 42 CB GLN A 4 -1.896 5.345 0.274 1.00 0.00 C ATOM 43 CG GLN A 4 -2.493 4.234 1.127 1.00 0.00 C ATOM 44 CD GLN A 4 -2.301 2.850 0.511 1.00 0.00 C ATOM 45 OE1 GLN A 4 -1.402 2.605 -0.292 1.00 0.00 O ATOM 46 NE2 GLN A 4 -3.190 1.941 0.890 1.00 0.00 N ATOM 0 H GLN A 4 -1.635 7.427 -0.922 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.978 6.722 1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.399 5.379 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.844 5.136 0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.034 4.254 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.558 4.421 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.919 2.189 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.144 0.995 0.512 1.00 0.00 H new ATOM 55 N THR A 5 -1.159 6.766 3.312 1.00 0.00 N ATOM 56 CA THR A 5 -0.142 6.987 4.339 1.00 0.00 C ATOM 57 C THR A 5 0.971 5.940 4.284 1.00 0.00 C ATOM 58 O THR A 5 0.893 4.921 3.595 1.00 0.00 O ATOM 59 CB THR A 5 -0.774 7.091 5.747 1.00 0.00 C ATOM 60 OG1 THR A 5 0.171 7.242 6.792 1.00 0.00 O ATOM 61 CG2 THR A 5 -1.717 5.930 6.105 1.00 0.00 C ATOM 0 H THR A 5 -2.065 6.476 3.680 1.00 0.00 H new ATOM 0 HA THR A 5 0.328 7.947 4.124 1.00 0.00 H new ATOM 0 HB THR A 5 -1.364 8.004 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.298 7.303 7.651 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.116 6.081 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.538 5.894 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.166 4.990 6.072 1.00 0.00 H new ATOM 69 N HIS A 6 1.998 6.229 5.083 1.00 0.00 N ATOM 70 CA HIS A 6 3.052 5.296 5.456 1.00 0.00 C ATOM 71 C HIS A 6 2.412 4.142 6.234 1.00 0.00 C ATOM 72 O HIS A 6 1.598 4.379 7.127 1.00 0.00 O ATOM 73 CB HIS A 6 4.128 6.034 6.273 1.00 0.00 C ATOM 74 CG HIS A 6 5.317 5.202 6.714 1.00 0.00 C ATOM 75 ND1 HIS A 6 6.242 5.668 7.637 1.00 0.00 N ATOM 76 CD2 HIS A 6 5.786 3.962 6.343 1.00 0.00 C ATOM 77 CE1 HIS A 6 7.176 4.712 7.791 1.00 0.00 C ATOM 78 NE2 HIS A 6 6.951 3.641 7.030 1.00 0.00 N ATOM 0 H HIS A 6 2.120 7.152 5.501 1.00 0.00 H new ATOM 0 HA HIS A 6 3.549 4.884 4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.496 6.871 5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.656 6.456 7.160 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.311 3.322 5.614 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.019 4.803 8.460 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.504 2.786 6.967 1.00 0.00 H new ATOM 86 N TRP A 7 2.735 2.907 5.822 1.00 0.00 N ATOM 87 CA TRP A 7 2.047 1.671 6.216 1.00 0.00 C ATOM 88 C TRP A 7 0.598 1.712 5.691 1.00 0.00 C ATOM 89 O TRP A 7 -0.265 2.316 6.326 1.00 0.00 O ATOM 90 CB TRP A 7 2.110 1.397 7.736 1.00 0.00 C ATOM 91 CG TRP A 7 3.457 1.177 8.372 1.00 0.00 C ATOM 92 CD1 TRP A 7 4.108 -0.003 8.510 1.00 0.00 C ATOM 93 CD2 TRP A 7 4.264 2.144 9.099 1.00 0.00 C ATOM 94 NE1 TRP A 7 5.246 0.165 9.278 1.00 0.00 N ATOM 95 CE2 TRP A 7 5.397 1.481 9.663 1.00 0.00 C ATOM 96 CE3 TRP A 7 4.125 3.520 9.367 1.00 0.00 C ATOM 97 CZ2 TRP A 7 6.350 2.161 10.445 1.00 0.00 C ATOM 98 CZ3 TRP A 7 5.044 4.209 10.188 1.00 0.00 C ATOM 99 CH2 TRP A 7 6.164 3.532 10.717 1.00 0.00 C ATOM 0 H TRP A 7 3.511 2.737 5.182 1.00 0.00 H new ATOM 0 HA TRP A 7 2.571 0.831 5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.637 2.237 8.244 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.500 0.517 7.940 1.00 0.00 H new ATOM 0 HD1 TRP A 7 3.785 -0.940 8.082 1.00 0.00 H new ATOM 0 HE1 TRP A 7 5.890 -0.586 9.527 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.296 4.060 8.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.213 1.639 10.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.890 5.254 10.411 1.00 0.00 H new ATOM 0 HH2 TRP A 7 6.878 4.063 11.329 1.00 0.00 H new ATOM 110 N GLY A 8 0.333 1.101 4.523 1.00 0.00 N ATOM 111 CA GLY A 8 -0.937 1.218 3.819 1.00 0.00 C ATOM 112 C GLY A 8 -1.027 0.176 2.702 1.00 0.00 C ATOM 113 O GLY A 8 -0.210 0.184 1.782 1.00 0.00 O ATOM 0 H GLY A 8 1.009 0.507 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.762 1.082 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.037 2.219 3.400 1.00 0.00 H new ATOM 117 N GLN A 9 -2.026 -0.715 2.786 1.00 0.00 N ATOM 118 CA GLN A 9 -2.239 -1.818 1.855 1.00 0.00 C ATOM 119 C GLN A 9 -2.696 -1.298 0.485 1.00 0.00 C ATOM 120 O GLN A 9 -3.825 -0.830 0.357 1.00 0.00 O ATOM 121 CB GLN A 9 -3.268 -2.798 2.447 1.00 0.00 C ATOM 122 CG GLN A 9 -3.570 -3.964 1.494 1.00 0.00 C ATOM 123 CD GLN A 9 -4.647 -4.890 2.067 1.00 0.00 C ATOM 124 OE1 GLN A 9 -5.823 -4.532 2.086 1.00 0.00 O ATOM 125 NE2 GLN A 9 -4.263 -6.080 2.534 1.00 0.00 N ATOM 0 H GLN A 9 -2.725 -0.681 3.528 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.296 -2.345 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.892 -3.191 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.191 -2.263 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.899 -3.573 0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.658 -4.533 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.279 -6.346 2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.954 -6.723 2.921 1.00 0.00 H new ATOM 134 N CYS A 10 -1.847 -1.436 -0.544 1.00 0.00 N ATOM 135 CA CYS A 10 -2.248 -1.307 -1.946 1.00 0.00 C ATOM 136 C CYS A 10 -2.667 -2.692 -2.475 1.00 0.00 C ATOM 137 O CYS A 10 -3.716 -2.818 -3.107 1.00 0.00 O ATOM 138 CB CYS A 10 -1.129 -0.667 -2.795 1.00 0.00 C ATOM 139 SG CYS A 10 0.286 -1.655 -3.370 1.00 0.00 S ATOM 0 H CYS A 10 -0.856 -1.642 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.102 -0.634 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.602 -0.241 -3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.725 0.165 -2.218 1.00 0.00 H new ATOM 144 N GLY A 11 -1.834 -3.715 -2.205 1.00 0.00 N ATOM 145 CA GLY A 11 -1.940 -5.101 -2.654 1.00 0.00 C ATOM 146 C GLY A 11 -3.354 -5.703 -2.688 1.00 0.00 C ATOM 147 O GLY A 11 -3.763 -6.213 -3.731 1.00 0.00 O ATOM 0 H GLY A 11 -1.009 -3.575 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.516 -5.169 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.321 -5.719 -2.003 1.00 0.00 H new ATOM 151 N GLY A 12 -4.073 -5.692 -1.552 1.00 0.00 N ATOM 152 CA GLY A 12 -5.312 -6.426 -1.336 1.00 0.00 C ATOM 153 C GLY A 12 -6.374 -6.105 -2.390 1.00 0.00 C ATOM 154 O GLY A 12 -6.759 -4.944 -2.535 1.00 0.00 O ATOM 0 H GLY A 12 -3.789 -5.150 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.104 -7.496 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.703 -6.189 -0.347 1.00 0.00 H new ATOM 158 N ILE A 13 -6.837 -7.136 -3.119 1.00 0.00 N ATOM 159 CA ILE A 13 -7.861 -7.044 -4.157 1.00 0.00 C ATOM 160 C ILE A 13 -9.225 -6.946 -3.452 1.00 0.00 C ATOM 161 O ILE A 13 -9.962 -7.927 -3.343 1.00 0.00 O ATOM 162 CB ILE A 13 -7.748 -8.228 -5.151 1.00 0.00 C ATOM 163 CG1 ILE A 13 -6.324 -8.316 -5.750 1.00 0.00 C ATOM 164 CG2 ILE A 13 -8.781 -8.082 -6.286 1.00 0.00 C ATOM 165 CD1 ILE A 13 -6.095 -9.571 -6.604 1.00 0.00 C ATOM 0 H ILE A 13 -6.491 -8.087 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.729 -6.154 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.951 -9.146 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.140 -7.432 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.596 -8.300 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.687 -8.922 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.786 -8.070 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.602 -7.151 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.076 -9.567 -6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.247 -10.460 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.799 -9.579 -7.436 1.00 0.00 H new ATOM 177 N GLY A 14 -9.503 -5.755 -2.906 1.00 0.00 N ATOM 178 CA GLY A 14 -10.549 -5.565 -1.869 1.00 0.00 C ATOM 179 C GLY A 14 -10.474 -4.145 -1.292 1.00 0.00 C ATOM 180 O GLY A 14 -11.507 -3.530 -1.031 1.00 0.00 O ATOM 0 H GLY A 14 -9.018 -4.895 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.535 -5.738 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.418 -6.296 -1.072 1.00 0.00 H new ATOM 184 N TYR A 15 -9.243 -3.646 -1.080 1.00 0.00 N ATOM 185 CA TYR A 15 -8.906 -2.357 -0.482 1.00 0.00 C ATOM 186 C TYR A 15 -9.634 -1.171 -1.141 1.00 0.00 C ATOM 187 O TYR A 15 -9.999 -1.225 -2.316 1.00 0.00 O ATOM 188 CB TYR A 15 -7.378 -2.171 -0.550 1.00 0.00 C ATOM 189 CG TYR A 15 -6.870 -0.930 0.164 1.00 0.00 C ATOM 190 CD1 TYR A 15 -6.656 -0.957 1.561 1.00 0.00 C ATOM 191 CD2 TYR A 15 -6.736 0.288 -0.541 1.00 0.00 C ATOM 192 CE1 TYR A 15 -6.284 0.221 2.242 1.00 0.00 C ATOM 193 CE2 TYR A 15 -6.437 1.476 0.153 1.00 0.00 C ATOM 194 CZ TYR A 15 -6.201 1.444 1.544 1.00 0.00 C ATOM 195 OH TYR A 15 -5.870 2.587 2.213 1.00 0.00 O ATOM 0 H TYR A 15 -8.409 -4.172 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 15 -9.245 -2.367 0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.897 -3.048 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -7.075 -2.125 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.777 -1.881 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.863 0.307 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.063 0.187 3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.388 2.414 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.971 3.357 1.615 1.00 0.00 H new ATOM 205 N SER A 16 -9.822 -0.093 -0.361 1.00 0.00 N ATOM 206 CA SER A 16 -10.522 1.131 -0.767 1.00 0.00 C ATOM 207 C SER A 16 -9.630 2.041 -1.632 1.00 0.00 C ATOM 208 O SER A 16 -9.267 3.142 -1.217 1.00 0.00 O ATOM 209 CB SER A 16 -11.116 1.882 0.448 1.00 0.00 C ATOM 210 OG SER A 16 -11.854 1.012 1.282 1.00 0.00 O ATOM 0 H SER A 16 -9.479 -0.051 0.599 1.00 0.00 H new ATOM 0 HA SER A 16 -11.362 0.828 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.312 2.343 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.761 2.688 0.099 1.00 0.00 H new ATOM 0 HG SER A 16 -12.215 1.515 2.042 1.00 0.00 H new ATOM 216 N GLY A 17 -9.329 1.595 -2.862 1.00 0.00 N ATOM 217 CA GLY A 17 -8.834 2.428 -3.951 1.00 0.00 C ATOM 218 C GLY A 17 -7.326 2.699 -3.912 1.00 0.00 C ATOM 219 O GLY A 17 -6.608 2.300 -4.829 1.00 0.00 O ATOM 0 H GLY A 17 -9.429 0.615 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.079 1.948 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.362 3.381 -3.931 1.00 0.00 H new ATOM 223 N CYS A 18 -6.861 3.444 -2.897 1.00 0.00 N ATOM 224 CA CYS A 18 -5.572 4.113 -2.885 1.00 0.00 C ATOM 225 C CYS A 18 -4.382 3.160 -2.757 1.00 0.00 C ATOM 226 O CYS A 18 -4.260 2.422 -1.784 1.00 0.00 O ATOM 227 CB CYS A 18 -5.553 5.297 -1.897 1.00 0.00 C ATOM 228 SG CYS A 18 -6.426 5.284 -0.311 1.00 0.00 S ATOM 0 H CYS A 18 -7.395 3.595 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.437 4.549 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.505 5.491 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.925 6.162 -2.446 1.00 0.00 H new ATOM 233 N LYS A 19 -3.506 3.212 -3.770 1.00 0.00 N ATOM 234 CA LYS A 19 -2.217 2.538 -3.851 1.00 0.00 C ATOM 235 C LYS A 19 -1.036 3.505 -3.662 1.00 0.00 C ATOM 236 O LYS A 19 0.032 3.068 -3.232 1.00 0.00 O ATOM 237 CB LYS A 19 -2.082 1.750 -5.175 1.00 0.00 C ATOM 238 CG LYS A 19 -2.078 2.531 -6.499 1.00 0.00 C ATOM 239 CD LYS A 19 -3.501 2.942 -6.924 1.00 0.00 C ATOM 240 CE LYS A 19 -3.712 4.461 -6.977 1.00 0.00 C ATOM 241 NZ LYS A 19 -5.124 4.788 -7.228 1.00 0.00 N ATOM 0 H LYS A 19 -3.698 3.764 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.181 1.828 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.156 1.177 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.900 1.031 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.458 3.422 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.627 1.919 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.714 2.520 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.219 2.508 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.393 4.909 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.090 4.891 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.241 5.821 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.419 4.378 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.712 4.396 -6.465 1.00 0.00 H new ATOM 255 N THR A 20 -1.211 4.792 -4.009 1.00 0.00 N ATOM 256 CA THR A 20 -0.161 5.807 -4.065 1.00 0.00 C ATOM 257 C THR A 20 0.283 6.200 -2.647 1.00 0.00 C ATOM 258 O THR A 20 -0.197 7.183 -2.089 1.00 0.00 O ATOM 259 CB THR A 20 -0.646 7.015 -4.901 1.00 0.00 C ATOM 260 OG1 THR A 20 -0.981 6.592 -6.210 1.00 0.00 O ATOM 261 CG2 THR A 20 0.415 8.121 -5.024 1.00 0.00 C ATOM 0 H THR A 20 -2.126 5.161 -4.267 1.00 0.00 H new ATOM 0 HA THR A 20 0.720 5.402 -4.563 1.00 0.00 H new ATOM 0 HB THR A 20 -1.511 7.421 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.289 7.361 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.017 8.942 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.675 8.487 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.305 7.719 -5.507 1.00 0.00 H new ATOM 269 N CYS A 21 1.241 5.442 -2.095 1.00 0.00 N ATOM 270 CA CYS A 21 1.978 5.726 -0.862 1.00 0.00 C ATOM 271 C CYS A 21 2.559 7.152 -0.882 1.00 0.00 C ATOM 272 O CYS A 21 2.991 7.626 -1.934 1.00 0.00 O ATOM 273 CB CYS A 21 3.079 4.673 -0.741 1.00 0.00 C ATOM 274 SG CYS A 21 2.477 2.966 -0.709 1.00 0.00 S ATOM 0 H CYS A 21 1.537 4.565 -2.524 1.00 0.00 H new ATOM 0 HA CYS A 21 1.316 5.678 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.768 4.787 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.648 4.862 0.169 1.00 0.00 H new ATOM 279 N THR A 22 2.551 7.843 0.270 1.00 0.00 N ATOM 280 CA THR A 22 2.938 9.251 0.382 1.00 0.00 C ATOM 281 C THR A 22 4.451 9.419 0.152 1.00 0.00 C ATOM 282 O THR A 22 5.189 8.441 0.037 1.00 0.00 O ATOM 283 CB THR A 22 2.461 9.821 1.737 1.00 0.00 C ATOM 284 OG1 THR A 22 2.633 11.225 1.770 1.00 0.00 O ATOM 285 CG2 THR A 22 3.174 9.195 2.943 1.00 0.00 C ATOM 0 H THR A 22 2.271 7.430 1.159 1.00 0.00 H new ATOM 0 HA THR A 22 2.446 9.831 -0.399 1.00 0.00 H new ATOM 0 HB THR A 22 1.404 9.566 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.325 11.572 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.792 9.639 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.991 8.121 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.246 9.380 2.868 1.00 0.00 H new ATOM 293 N SER A 23 4.916 10.671 0.076 1.00 0.00 N ATOM 294 CA SER A 23 6.321 11.007 -0.156 1.00 0.00 C ATOM 295 C SER A 23 7.239 10.353 0.892 1.00 0.00 C ATOM 296 O SER A 23 6.990 10.467 2.092 1.00 0.00 O ATOM 297 CB SER A 23 6.501 12.533 -0.209 1.00 0.00 C ATOM 298 OG SER A 23 6.119 13.144 1.007 1.00 0.00 O ATOM 0 H SER A 23 4.316 11.490 0.176 1.00 0.00 H new ATOM 0 HA SER A 23 6.617 10.601 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.543 12.770 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.906 12.942 -1.025 1.00 0.00 H new ATOM 0 HG SER A 23 6.200 12.496 1.738 1.00 0.00 H new ATOM 304 N GLY A 24 8.271 9.635 0.419 1.00 0.00 N ATOM 305 CA GLY A 24 9.155 8.803 1.228 1.00 0.00 C ATOM 306 C GLY A 24 8.828 7.308 1.098 1.00 0.00 C ATOM 307 O GLY A 24 9.742 6.483 1.117 1.00 0.00 O ATOM 0 H GLY A 24 8.515 9.622 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.188 8.974 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.075 9.101 2.273 1.00 0.00 H new ATOM 311 N THR A 25 7.535 6.958 0.989 1.00 0.00 N ATOM 312 CA THR A 25 7.026 5.584 0.972 1.00 0.00 C ATOM 313 C THR A 25 6.583 5.177 -0.440 1.00 0.00 C ATOM 314 O THR A 25 5.965 5.964 -1.158 1.00 0.00 O ATOM 315 CB THR A 25 5.896 5.409 1.997 1.00 0.00 C ATOM 316 OG1 THR A 25 4.823 6.302 1.775 1.00 0.00 O ATOM 317 CG2 THR A 25 6.436 5.625 3.414 1.00 0.00 C ATOM 0 H THR A 25 6.792 7.652 0.908 1.00 0.00 H new ATOM 0 HA THR A 25 7.837 4.915 1.260 1.00 0.00 H new ATOM 0 HB THR A 25 5.519 4.393 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.057 6.921 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.628 5.499 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.221 4.898 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.844 6.632 3.498 1.00 0.00 H new ATOM 325 N THR A 26 6.899 3.931 -0.818 1.00 0.00 N ATOM 326 CA THR A 26 6.389 3.216 -1.989 1.00 0.00 C ATOM 327 C THR A 26 5.831 1.852 -1.547 1.00 0.00 C ATOM 328 O THR A 26 6.242 1.318 -0.514 1.00 0.00 O ATOM 329 CB THR A 26 7.466 3.110 -3.090 1.00 0.00 C ATOM 330 OG1 THR A 26 8.703 2.649 -2.604 1.00 0.00 O ATOM 331 CG2 THR A 26 7.714 4.466 -3.759 1.00 0.00 C ATOM 0 H THR A 26 7.556 3.365 -0.281 1.00 0.00 H new ATOM 0 HA THR A 26 5.569 3.776 -2.438 1.00 0.00 H new ATOM 0 HB THR A 26 7.071 2.390 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.346 2.599 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.477 4.357 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.789 4.823 -4.212 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.052 5.184 -3.012 1.00 0.00 H new ATOM 339 N CYS A 27 4.867 1.301 -2.308 1.00 0.00 N ATOM 340 CA CYS A 27 4.131 0.097 -1.926 1.00 0.00 C ATOM 341 C CYS A 27 5.009 -1.149 -2.121 1.00 0.00 C ATOM 342 O CYS A 27 5.085 -1.708 -3.214 1.00 0.00 O ATOM 343 CB CYS A 27 2.777 0.000 -2.652 1.00 0.00 C ATOM 344 SG CYS A 27 1.763 -1.362 -2.003 1.00 0.00 S ATOM 0 H CYS A 27 4.581 1.686 -3.208 1.00 0.00 H new ATOM 0 HA CYS A 27 3.890 0.159 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.237 0.940 -2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.946 -0.148 -3.719 1.00 0.00 H new ATOM 349 N GLN A 28 5.671 -1.561 -1.033 1.00 0.00 N ATOM 350 CA GLN A 28 6.611 -2.671 -0.938 1.00 0.00 C ATOM 351 C GLN A 28 5.868 -4.002 -0.782 1.00 0.00 C ATOM 352 O GLN A 28 5.005 -4.149 0.081 1.00 0.00 O ATOM 353 CB GLN A 28 7.580 -2.400 0.232 1.00 0.00 C ATOM 354 CG GLN A 28 8.897 -1.739 -0.216 1.00 0.00 C ATOM 355 CD GLN A 28 8.767 -0.504 -1.125 1.00 0.00 C ATOM 356 OE1 GLN A 28 8.250 -0.588 -2.237 1.00 0.00 O ATOM 357 NE2 GLN A 28 9.276 0.658 -0.705 1.00 0.00 N ATOM 0 H GLN A 28 5.551 -1.091 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 28 7.191 -2.750 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.088 -1.758 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.805 -3.340 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.455 -1.451 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.494 -2.486 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.704 0.723 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.236 1.480 -1.308 1.00 0.00 H new ATOM 366 N TYR A 29 6.227 -4.964 -1.641 1.00 0.00 N ATOM 367 CA TYR A 29 5.568 -6.254 -1.810 1.00 0.00 C ATOM 368 C TYR A 29 6.065 -7.262 -0.765 1.00 0.00 C ATOM 369 O TYR A 29 7.271 -7.377 -0.540 1.00 0.00 O ATOM 370 CB TYR A 29 5.838 -6.755 -3.242 1.00 0.00 C ATOM 371 CG TYR A 29 5.152 -8.061 -3.620 1.00 0.00 C ATOM 372 CD1 TYR A 29 5.737 -9.298 -3.263 1.00 0.00 C ATOM 373 CD2 TYR A 29 3.972 -8.049 -4.399 1.00 0.00 C ATOM 374 CE1 TYR A 29 5.127 -10.510 -3.646 1.00 0.00 C ATOM 375 CE2 TYR A 29 3.377 -9.262 -4.806 1.00 0.00 C ATOM 376 CZ TYR A 29 3.946 -10.494 -4.417 1.00 0.00 C ATOM 377 OH TYR A 29 3.367 -11.671 -4.792 1.00 0.00 O ATOM 0 H TYR A 29 7.026 -4.853 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 29 4.494 -6.144 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.523 -5.983 -3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.913 -6.880 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.655 -9.314 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.525 -7.108 -4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.564 -11.452 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.486 -9.248 -5.416 1.00 0.00 H new ATOM 0 HH TYR A 29 2.709 -11.502 -5.498 1.00 0.00 H new ATOM 387 N SER A 30 5.132 -8.025 -0.177 1.00 0.00 N ATOM 388 CA SER A 30 5.404 -9.225 0.611 1.00 0.00 C ATOM 389 C SER A 30 4.594 -10.377 0.001 1.00 0.00 C ATOM 390 O SER A 30 5.169 -11.283 -0.601 1.00 0.00 O ATOM 391 CB SER A 30 5.080 -8.986 2.095 1.00 0.00 C ATOM 392 OG SER A 30 5.898 -7.964 2.626 1.00 0.00 O ATOM 0 H SER A 30 4.136 -7.813 -0.242 1.00 0.00 H new ATOM 0 HA SER A 30 6.462 -9.484 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.031 -8.712 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.229 -9.907 2.658 1.00 0.00 H new ATOM 0 HG SER A 30 5.676 -7.825 3.570 1.00 0.00 H new ATOM 398 N ASN A 31 3.261 -10.318 0.138 1.00 0.00 N ATOM 399 CA ASN A 31 2.287 -11.134 -0.586 1.00 0.00 C ATOM 400 C ASN A 31 1.629 -10.303 -1.701 1.00 0.00 C ATOM 401 O ASN A 31 1.758 -9.080 -1.753 1.00 0.00 O ATOM 402 CB ASN A 31 1.260 -11.692 0.422 1.00 0.00 C ATOM 403 CG ASN A 31 0.272 -12.702 -0.179 1.00 0.00 C ATOM 404 OD1 ASN A 31 0.636 -13.507 -1.035 1.00 0.00 O ATOM 405 ND2 ASN A 31 -0.986 -12.666 0.267 1.00 0.00 N ATOM 0 H ASN A 31 2.817 -9.669 0.787 1.00 0.00 H new ATOM 0 HA ASN A 31 2.777 -11.978 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.796 -12.169 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.698 -10.861 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.677 -13.319 -0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.256 -11.986 0.978 1.00 0.00 H new ATOM 412 N ASP A 32 0.890 -10.991 -2.580 1.00 0.00 N ATOM 413 CA ASP A 32 -0.001 -10.411 -3.578 1.00 0.00 C ATOM 414 C ASP A 32 -1.042 -9.492 -2.919 1.00 0.00 C ATOM 415 O ASP A 32 -1.188 -8.337 -3.317 1.00 0.00 O ATOM 416 CB ASP A 32 -0.691 -11.547 -4.352 1.00 0.00 C ATOM 417 CG ASP A 32 0.300 -12.394 -5.152 1.00 0.00 C ATOM 418 OD1 ASP A 32 0.606 -13.515 -4.750 1.00 0.00 O ATOM 419 OD2 ASP A 32 0.799 -11.819 -6.284 1.00 0.00 O ATOM 0 H ASP A 32 0.901 -12.010 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 32 0.582 -9.801 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.228 -12.186 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.432 -11.123 -5.030 1.00 0.00 H new ATOM 425 N TYR A 33 -1.756 -10.016 -1.911 1.00 0.00 N ATOM 426 CA TYR A 33 -2.821 -9.324 -1.191 1.00 0.00 C ATOM 427 C TYR A 33 -2.284 -8.386 -0.095 1.00 0.00 C ATOM 428 O TYR A 33 -2.977 -7.449 0.288 1.00 0.00 O ATOM 429 CB TYR A 33 -3.810 -10.347 -0.606 1.00 0.00 C ATOM 430 CG TYR A 33 -4.546 -11.172 -1.653 1.00 0.00 C ATOM 431 CD1 TYR A 33 -3.947 -12.333 -2.194 1.00 0.00 C ATOM 432 CD2 TYR A 33 -5.806 -10.747 -2.135 1.00 0.00 C ATOM 433 CE1 TYR A 33 -4.595 -13.055 -3.218 1.00 0.00 C ATOM 434 CE2 TYR A 33 -6.464 -11.483 -3.142 1.00 0.00 C ATOM 435 CZ TYR A 33 -5.854 -12.631 -3.694 1.00 0.00 C ATOM 436 OH TYR A 33 -6.478 -13.332 -4.686 1.00 0.00 O ATOM 0 H TYR A 33 -1.598 -10.964 -1.568 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.342 -8.690 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.268 -11.022 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.542 -9.819 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.990 -12.668 -1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.265 -9.857 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.127 -13.933 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.436 -11.168 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.336 -12.908 -4.896 1.00 0.00 H new ATOM 446 N TYR A 34 -1.077 -8.640 0.429 1.00 0.00 N ATOM 447 CA TYR A 34 -0.394 -7.785 1.398 1.00 0.00 C ATOM 448 C TYR A 34 0.853 -7.166 0.752 1.00 0.00 C ATOM 449 O TYR A 34 1.957 -7.692 0.892 1.00 0.00 O ATOM 450 CB TYR A 34 -0.095 -8.568 2.694 1.00 0.00 C ATOM 451 CG TYR A 34 0.230 -7.669 3.877 1.00 0.00 C ATOM 452 CD1 TYR A 34 -0.822 -7.071 4.610 1.00 0.00 C ATOM 453 CD2 TYR A 34 1.571 -7.364 4.208 1.00 0.00 C ATOM 454 CE1 TYR A 34 -0.536 -6.212 5.691 1.00 0.00 C ATOM 455 CE2 TYR A 34 1.857 -6.496 5.284 1.00 0.00 C ATOM 456 CZ TYR A 34 0.803 -5.933 6.037 1.00 0.00 C ATOM 457 OH TYR A 34 1.072 -5.125 7.104 1.00 0.00 O ATOM 0 H TYR A 34 -0.538 -9.470 0.181 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.041 -6.958 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.956 -9.188 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.743 -9.243 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.848 -7.273 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.378 -7.796 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.343 -5.767 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.882 -6.262 5.531 1.00 0.00 H new ATOM 0 HH TYR A 34 1.979 -4.763 7.019 1.00 0.00 H new ATOM 467 N SER A 35 0.660 -6.034 0.060 1.00 0.00 N ATOM 468 CA SER A 35 1.715 -5.124 -0.391 1.00 0.00 C ATOM 469 C SER A 35 1.493 -3.781 0.315 1.00 0.00 C ATOM 470 O SER A 35 0.418 -3.198 0.175 1.00 0.00 O ATOM 471 CB SER A 35 1.752 -4.980 -1.926 1.00 0.00 C ATOM 472 OG SER A 35 1.825 -6.243 -2.552 1.00 0.00 O ATOM 0 H SER A 35 -0.272 -5.718 -0.210 1.00 0.00 H new ATOM 0 HA SER A 35 2.692 -5.528 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.861 -4.452 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.611 -4.376 -2.217 1.00 0.00 H new ATOM 0 HG SER A 35 1.904 -6.942 -1.870 1.00 0.00 H new ATOM 478 N GLN A 36 2.481 -3.325 1.101 1.00 0.00 N ATOM 479 CA GLN A 36 2.352 -2.264 2.100 1.00 0.00 C ATOM 480 C GLN A 36 3.316 -1.098 1.831 1.00 0.00 C ATOM 481 O GLN A 36 4.472 -1.321 1.479 1.00 0.00 O ATOM 482 CB GLN A 36 2.626 -2.876 3.484 1.00 0.00 C ATOM 483 CG GLN A 36 2.324 -1.875 4.608 1.00 0.00 C ATOM 484 CD GLN A 36 2.436 -2.488 6.004 1.00 0.00 C ATOM 485 OE1 GLN A 36 3.238 -3.391 6.237 1.00 0.00 O ATOM 486 NE2 GLN A 36 1.626 -1.991 6.943 1.00 0.00 N ATOM 0 H GLN A 36 3.427 -3.703 1.052 1.00 0.00 H new ATOM 0 HA GLN A 36 1.344 -1.853 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.015 -3.769 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.668 -3.190 3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.012 -1.033 4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.318 -1.478 4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.974 -1.242 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.659 -2.361 7.893 1.00 0.00 H new ATOM 495 N CYS A 37 2.853 0.140 2.067 1.00 0.00 N ATOM 496 CA CYS A 37 3.647 1.368 2.002 1.00 0.00 C ATOM 497 C CYS A 37 4.779 1.348 3.033 1.00 0.00 C ATOM 498 O CYS A 37 4.500 1.287 4.226 1.00 0.00 O ATOM 499 CB CYS A 37 2.740 2.585 2.250 1.00 0.00 C ATOM 500 SG CYS A 37 1.436 2.847 1.028 1.00 0.00 S ATOM 0 H CYS A 37 1.880 0.315 2.317 1.00 0.00 H new ATOM 0 HA CYS A 37 4.091 1.437 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.278 2.477 3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.363 3.479 2.288 1.00 0.00 H new ATOM 505 N LEU A 38 6.042 1.404 2.580 1.00 0.00 N ATOM 506 CA LEU A 38 7.238 1.385 3.424 1.00 0.00 C ATOM 507 C LEU A 38 8.342 2.244 2.789 1.00 0.00 C ATOM 508 O LEU A 38 9.112 2.846 3.570 1.00 0.00 O ATOM 509 CB LEU A 38 7.729 -0.062 3.659 1.00 0.00 C ATOM 510 CG LEU A 38 6.728 -0.992 4.374 1.00 0.00 C ATOM 511 CD1 LEU A 38 7.275 -2.428 4.402 1.00 0.00 C ATOM 512 CD2 LEU A 38 6.439 -0.537 5.817 1.00 0.00 C ATOM 513 OXT LEU A 38 8.412 2.287 1.541 1.00 0.00 O ATOM 0 H LEU A 38 6.261 1.466 1.586 1.00 0.00 H new ATOM 0 HA LEU A 38 6.984 1.807 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.983 -0.502 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.647 -0.025 4.245 1.00 0.00 H new ATOM 0 HG LEU A 38 5.794 -0.951 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.562 -3.079 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.426 -2.780 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.225 -2.445 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.729 -1.223 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.366 -0.534 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.017 0.468 5.804 1.00 0.00 H new