USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 502 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 118:sc= -0.353 USER MOD Set 1.2: A 57 ASN : amide:sc= -4.2 X(o=-4.6,f=-4.8!) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.572! C(o=0.27!,f=-1.4!) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.846 K(o=0.27,f=-1.4) USER MOD Set 3.1: A 15 ASN : amide:sc= -0.0794 K(o=-13,f=-14) USER MOD Set 3.2: A 16 ASN :FLIP amide:sc= -6.06! F(o=-14,f=-13!) USER MOD Set 3.3: A 20 THR OG1 : rot -3:sc= 0.23 USER MOD Set 3.4: A 34 GLN :FLIP amide:sc= -7.22! C(o=-18!,f=-13!) USER MOD Set 4.1: A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 12 ASN : amide:sc= -0.0208 K(o=-0.021,f=-6.3!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -179:sc= 0.999 USER MOD Single : A 25 THR OG1 : rot -20:sc= -0.201 USER MOD Single : A 28 SER OG : rot 144:sc= 1.43 USER MOD Single : A 30 GLN : amide:sc= -1.83! C(o=-1.8!,f=-6.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 24:sc= 0.00115 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 84:sc= 0.924 USER MOD Single : A 59 SER OG : rot -113:sc= 0.416 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.2) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= -0.0473 USER MOD Single : A 67 GLN :FLIP amide:sc= -1.79 F(o=-3.3!,f=-1.8) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -74:sc= 1.13 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.421 F(o=-1.1,f=-0.42) USER MOD Single : A 83 ASN : amide:sc= -6.18 K(o=-6.2,f=-13!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= -3.82 (180deg=-4.9!) USER MOD Single : A 89 ASN :FLIP amide:sc= 0.703 F(o=-0.3,f=0.7) USER MOD ----------------------------------------------------------------- ATOM 13 N MET A 2 3.665 6.448 -6.488 1.00 0.00 N ATOM 14 CA MET A 2 2.587 7.434 -6.497 1.00 0.00 C ATOM 15 C MET A 2 1.275 6.821 -6.977 1.00 0.00 C ATOM 16 O MET A 2 1.027 6.714 -8.177 1.00 0.00 O ATOM 17 CB MET A 2 2.960 8.625 -7.379 1.00 0.00 C ATOM 18 CG MET A 2 2.705 9.970 -6.718 1.00 0.00 C ATOM 19 SD MET A 2 4.098 11.104 -6.882 1.00 0.00 S ATOM 20 CE MET A 2 4.494 11.406 -5.163 1.00 0.00 C ATOM 0 HA MET A 2 2.446 7.778 -5.472 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.014 8.554 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 2 2.392 8.572 -8.308 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.818 10.425 -7.160 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.491 9.815 -5.661 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.339 12.092 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.631 11.846 -4.663 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.754 10.465 -4.679 1.00 0.00 H new ATOM 30 N ALA A 3 0.437 6.430 -6.027 1.00 0.00 N ATOM 31 CA ALA A 3 -0.856 5.833 -6.332 1.00 0.00 C ATOM 32 C ALA A 3 -1.802 5.995 -5.149 1.00 0.00 C ATOM 33 O ALA A 3 -2.659 5.147 -4.900 1.00 0.00 O ATOM 34 CB ALA A 3 -0.690 4.363 -6.686 1.00 0.00 C ATOM 0 H ALA A 3 0.632 6.517 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.285 6.347 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.665 3.931 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.041 4.270 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.245 3.834 -5.844 1.00 0.00 H new ATOM 40 N CYS A 4 -1.627 7.090 -4.419 1.00 0.00 N ATOM 41 CA CYS A 4 -2.444 7.379 -3.252 1.00 0.00 C ATOM 42 C CYS A 4 -3.834 7.855 -3.656 1.00 0.00 C ATOM 43 O CYS A 4 -3.978 8.826 -4.398 1.00 0.00 O ATOM 44 CB CYS A 4 -1.759 8.440 -2.386 1.00 0.00 C ATOM 45 SG CYS A 4 -1.444 10.015 -3.249 1.00 0.00 S ATOM 0 H CYS A 4 -0.919 7.797 -4.619 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.555 6.459 -2.679 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.379 8.635 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.812 8.041 -2.023 1.00 0.00 H new ATOM 50 N TRP A 5 -4.858 7.172 -3.156 1.00 0.00 N ATOM 51 CA TRP A 5 -6.239 7.533 -3.460 1.00 0.00 C ATOM 52 C TRP A 5 -6.487 9.013 -3.170 1.00 0.00 C ATOM 53 O TRP A 5 -7.378 9.629 -3.755 1.00 0.00 O ATOM 54 CB TRP A 5 -7.199 6.671 -2.637 1.00 0.00 C ATOM 55 CG TRP A 5 -6.845 6.627 -1.184 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.036 5.724 -0.567 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.288 7.527 -0.172 1.00 0.00 C ATOM 58 NE1 TRP A 5 -5.941 6.011 0.776 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.706 7.118 1.042 1.00 0.00 C ATOM 60 CE3 TRP A 5 -8.119 8.642 -0.179 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.935 7.791 2.240 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.348 9.311 1.005 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.758 8.885 2.202 1.00 0.00 C ATOM 0 H TRP A 5 -4.759 6.366 -2.539 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.417 7.354 -4.520 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.212 7.058 -2.747 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.201 5.657 -3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.540 4.901 -1.060 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.393 5.488 1.459 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.578 8.979 -1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.481 7.463 3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.993 10.177 1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.956 9.430 3.113 1.00 0.00 H new ATOM 74 N ALA A 6 -5.691 9.575 -2.263 1.00 0.00 N ATOM 75 CA ALA A 6 -5.821 10.980 -1.894 1.00 0.00 C ATOM 76 C ALA A 6 -5.646 11.889 -3.110 1.00 0.00 C ATOM 77 O ALA A 6 -6.454 12.788 -3.343 1.00 0.00 O ATOM 78 CB ALA A 6 -4.811 11.337 -0.815 1.00 0.00 C ATOM 0 H ALA A 6 -4.949 9.077 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.826 11.135 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.919 12.389 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.987 10.720 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.802 11.159 -1.188 1.00 0.00 H new ATOM 84 N GLN A 7 -4.586 11.651 -3.883 1.00 0.00 N ATOM 85 CA GLN A 7 -4.316 12.456 -5.073 1.00 0.00 C ATOM 86 C GLN A 7 -5.489 12.409 -6.042 1.00 0.00 C ATOM 87 O GLN A 7 -5.658 13.306 -6.868 1.00 0.00 O ATOM 88 CB GLN A 7 -3.030 11.993 -5.764 1.00 0.00 C ATOM 89 CG GLN A 7 -3.100 10.583 -6.321 1.00 0.00 C ATOM 90 CD GLN A 7 -2.428 10.457 -7.672 1.00 0.00 C ATOM 91 OE1 GLN A 7 -1.265 10.827 -7.838 1.00 0.00 O ATOM 92 NE2 GLN A 7 -3.157 9.934 -8.649 1.00 0.00 N ATOM 0 H GLN A 7 -3.905 10.912 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.181 13.489 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.798 12.682 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.207 12.051 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.628 9.895 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.144 10.282 -6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.117 9.640 -8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.758 9.825 -9.581 1.00 0.00 H new ATOM 101 N SER A 8 -6.314 11.373 -5.925 1.00 0.00 N ATOM 102 CA SER A 8 -7.483 11.239 -6.782 1.00 0.00 C ATOM 103 C SER A 8 -8.434 12.414 -6.563 1.00 0.00 C ATOM 104 O SER A 8 -9.272 12.717 -7.412 1.00 0.00 O ATOM 105 CB SER A 8 -8.204 9.920 -6.500 1.00 0.00 C ATOM 106 OG SER A 8 -7.291 8.836 -6.468 1.00 0.00 O ATOM 0 H SER A 8 -6.194 10.619 -5.249 1.00 0.00 H new ATOM 0 HA SER A 8 -7.153 11.240 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.729 9.986 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.957 9.742 -7.267 1.00 0.00 H new ATOM 0 HG SER A 8 -7.776 8.005 -6.284 1.00 0.00 H new ATOM 112 N GLN A 9 -8.290 13.075 -5.414 1.00 0.00 N ATOM 113 CA GLN A 9 -9.127 14.220 -5.075 1.00 0.00 C ATOM 114 C GLN A 9 -8.323 15.515 -5.135 1.00 0.00 C ATOM 115 O GLN A 9 -8.861 16.576 -5.453 1.00 0.00 O ATOM 116 CB GLN A 9 -9.729 14.043 -3.680 1.00 0.00 C ATOM 117 CG GLN A 9 -10.273 12.648 -3.424 1.00 0.00 C ATOM 118 CD GLN A 9 -11.616 12.665 -2.719 1.00 0.00 C ATOM 119 OE1 GLN A 9 -12.599 13.191 -3.243 1.00 0.00 O ATOM 120 NE2 GLN A 9 -11.664 12.089 -1.523 1.00 0.00 N ATOM 0 H GLN A 9 -7.599 12.834 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.934 14.279 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.968 14.269 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.532 14.767 -3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.372 12.121 -4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.558 12.088 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.825 11.665 -1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.540 12.070 -1.001 1.00 0.00 H new ATOM 129 N GLY A 10 -7.030 15.423 -4.830 1.00 0.00 N ATOM 130 CA GLY A 10 -6.179 16.599 -4.860 1.00 0.00 C ATOM 131 C GLY A 10 -5.047 16.538 -3.851 1.00 0.00 C ATOM 132 O GLY A 10 -4.041 17.232 -4.000 1.00 0.00 O ATOM 0 H GLY A 10 -6.559 14.558 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.761 16.713 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.785 17.484 -4.665 1.00 0.00 H new ATOM 136 N TYR A 11 -5.206 15.711 -2.821 1.00 0.00 N ATOM 137 CA TYR A 11 -4.181 15.576 -1.788 1.00 0.00 C ATOM 138 C TYR A 11 -2.953 14.845 -2.324 1.00 0.00 C ATOM 139 O TYR A 11 -3.071 13.909 -3.112 1.00 0.00 O ATOM 140 CB TYR A 11 -4.741 14.831 -0.575 1.00 0.00 C ATOM 141 CG TYR A 11 -5.689 15.660 0.262 1.00 0.00 C ATOM 142 CD1 TYR A 11 -5.222 16.429 1.322 1.00 0.00 C ATOM 143 CD2 TYR A 11 -7.051 15.672 -0.008 1.00 0.00 C ATOM 144 CE1 TYR A 11 -6.089 17.184 2.090 1.00 0.00 C ATOM 145 CE2 TYR A 11 -7.923 16.425 0.755 1.00 0.00 C ATOM 146 CZ TYR A 11 -7.437 17.179 1.802 1.00 0.00 C ATOM 147 OH TYR A 11 -8.302 17.931 2.563 1.00 0.00 O ATOM 0 H TYR A 11 -6.030 15.127 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.879 16.578 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.260 13.936 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.913 14.499 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.166 16.437 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.435 15.083 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.712 17.775 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.980 16.423 0.532 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.216 17.817 2.228 1.00 0.00 H new ATOM 157 N ASN A 12 -1.774 15.274 -1.890 1.00 0.00 N ATOM 158 CA ASN A 12 -0.528 14.655 -2.332 1.00 0.00 C ATOM 159 C ASN A 12 -0.268 13.361 -1.569 1.00 0.00 C ATOM 160 O ASN A 12 -0.795 13.158 -0.477 1.00 0.00 O ATOM 161 CB ASN A 12 0.641 15.619 -2.133 1.00 0.00 C ATOM 162 CG ASN A 12 1.901 15.154 -2.836 1.00 0.00 C ATOM 163 OD1 ASN A 12 1.881 14.186 -3.596 1.00 0.00 O ATOM 164 ND2 ASN A 12 3.008 15.844 -2.585 1.00 0.00 N ATOM 0 H ASN A 12 -1.653 16.046 -1.234 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.621 14.421 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.363 16.605 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.842 15.727 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.887 15.578 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.979 16.640 -1.948 1.00 0.00 H new ATOM 171 N CYS A 13 0.544 12.482 -2.152 1.00 0.00 N ATOM 172 CA CYS A 13 0.863 11.209 -1.522 1.00 0.00 C ATOM 173 C CYS A 13 1.771 11.404 -0.314 1.00 0.00 C ATOM 174 O CYS A 13 2.700 12.211 -0.337 1.00 0.00 O ATOM 175 CB CYS A 13 1.519 10.269 -2.532 1.00 0.00 C ATOM 176 SG CYS A 13 0.457 9.831 -3.951 1.00 0.00 S ATOM 0 H CYS A 13 0.991 12.630 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.068 10.762 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.431 10.735 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.816 9.354 -2.019 1.00 0.00 H new ATOM 181 N CYS A 14 1.479 10.657 0.742 1.00 0.00 N ATOM 182 CA CYS A 14 2.241 10.729 1.984 1.00 0.00 C ATOM 183 C CYS A 14 3.334 9.670 2.017 1.00 0.00 C ATOM 184 O CYS A 14 3.083 8.521 2.378 1.00 0.00 O ATOM 185 CB CYS A 14 1.325 10.563 3.212 1.00 0.00 C ATOM 186 SG CYS A 14 -0.284 9.765 2.884 1.00 0.00 S ATOM 0 H CYS A 14 0.711 9.986 0.764 1.00 0.00 H new ATOM 0 HA CYS A 14 2.702 11.716 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.855 9.978 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.142 11.547 3.644 1.00 0.00 H new ATOM 191 N ASN A 15 4.549 10.070 1.649 1.00 0.00 N ATOM 192 CA ASN A 15 5.695 9.165 1.647 1.00 0.00 C ATOM 193 C ASN A 15 5.691 8.294 2.905 1.00 0.00 C ATOM 194 O ASN A 15 5.217 8.718 3.955 1.00 0.00 O ATOM 195 CB ASN A 15 6.990 9.977 1.560 1.00 0.00 C ATOM 196 CG ASN A 15 8.237 9.126 1.681 1.00 0.00 C ATOM 197 OD1 ASN A 15 8.347 8.069 1.059 1.00 0.00 O ATOM 198 ND2 ASN A 15 9.184 9.586 2.490 1.00 0.00 N ATOM 0 H ASN A 15 4.765 11.020 1.347 1.00 0.00 H new ATOM 0 HA ASN A 15 5.629 8.508 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.013 10.511 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.993 10.729 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.047 9.058 2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.048 10.468 2.985 1.00 0.00 H new ATOM 205 N ASN A 16 6.199 7.070 2.784 1.00 0.00 N ATOM 206 CA ASN A 16 6.232 6.133 3.909 1.00 0.00 C ATOM 207 C ASN A 16 4.901 6.127 4.664 1.00 0.00 C ATOM 208 O ASN A 16 4.862 6.339 5.876 1.00 0.00 O ATOM 209 CB ASN A 16 7.382 6.460 4.870 1.00 0.00 C ATOM 210 CG ASN A 16 7.172 7.750 5.638 1.00 0.00 C ATOM 211 OD1 ASN A 16 7.533 8.870 5.023 1.00 0.00 O flip ATOM 212 ND2 ASN A 16 6.700 7.739 6.774 1.00 0.00 N flip ATOM 0 H ASN A 16 6.594 6.702 1.919 1.00 0.00 H new ATOM 0 HA ASN A 16 6.399 5.138 3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.500 5.639 5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.311 6.529 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.436 6.854 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.572 8.614 7.282 1.00 0.00 H new ATOM 219 N PRO A 17 3.790 5.877 3.952 1.00 0.00 N ATOM 220 CA PRO A 17 2.456 5.840 4.562 1.00 0.00 C ATOM 221 C PRO A 17 2.311 4.696 5.561 1.00 0.00 C ATOM 222 O PRO A 17 1.365 4.661 6.348 1.00 0.00 O ATOM 223 CB PRO A 17 1.518 5.632 3.369 1.00 0.00 C ATOM 224 CG PRO A 17 2.371 5.030 2.306 1.00 0.00 C ATOM 225 CD PRO A 17 3.745 5.604 2.506 1.00 0.00 C ATOM 0 HA PRO A 17 2.244 6.746 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.689 4.974 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.084 6.576 3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.386 3.943 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.988 5.271 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.522 4.902 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.891 6.512 1.920 1.00 0.00 H new ATOM 233 N SER A 18 3.257 3.762 5.525 1.00 0.00 N ATOM 234 CA SER A 18 3.241 2.615 6.425 1.00 0.00 C ATOM 235 C SER A 18 3.622 3.019 7.847 1.00 0.00 C ATOM 236 O SER A 18 3.525 2.214 8.774 1.00 0.00 O ATOM 237 CB SER A 18 4.205 1.540 5.921 1.00 0.00 C ATOM 238 OG SER A 18 4.159 0.388 6.745 1.00 0.00 O ATOM 0 H SER A 18 4.047 3.778 4.880 1.00 0.00 H new ATOM 0 HA SER A 18 2.226 2.218 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.949 1.269 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.220 1.937 5.902 1.00 0.00 H new ATOM 0 HG SER A 18 3.860 -0.381 6.216 1.00 0.00 H new ATOM 244 N SER A 19 4.059 4.263 8.019 1.00 0.00 N ATOM 245 CA SER A 19 4.455 4.756 9.331 1.00 0.00 C ATOM 246 C SER A 19 4.034 6.211 9.521 1.00 0.00 C ATOM 247 O SER A 19 4.497 6.885 10.442 1.00 0.00 O ATOM 248 CB SER A 19 5.968 4.621 9.509 1.00 0.00 C ATOM 249 OG SER A 19 6.294 4.228 10.830 1.00 0.00 O ATOM 0 H SER A 19 4.147 4.946 7.267 1.00 0.00 H new ATOM 0 HA SER A 19 3.950 4.154 10.086 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.356 3.888 8.802 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.450 5.571 9.280 1.00 0.00 H new ATOM 0 HG SER A 19 7.267 4.147 10.917 1.00 0.00 H new ATOM 255 N THR A 20 3.156 6.691 8.645 1.00 0.00 N ATOM 256 CA THR A 20 2.674 8.054 8.712 1.00 0.00 C ATOM 257 C THR A 20 1.717 8.230 9.890 1.00 0.00 C ATOM 258 O THR A 20 1.007 7.298 10.270 1.00 0.00 O ATOM 259 CB THR A 20 1.982 8.403 7.395 1.00 0.00 C ATOM 260 OG1 THR A 20 2.934 8.677 6.383 1.00 0.00 O ATOM 261 CG2 THR A 20 1.066 9.592 7.494 1.00 0.00 C ATOM 0 H THR A 20 2.765 6.146 7.877 1.00 0.00 H new ATOM 0 HA THR A 20 3.516 8.729 8.867 1.00 0.00 H new ATOM 0 HB THR A 20 1.383 7.526 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.836 8.637 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.610 9.782 6.522 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.286 9.390 8.228 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.638 10.467 7.803 1.00 0.00 H new ATOM 269 N LYS A 21 1.701 9.430 10.460 1.00 0.00 N ATOM 270 CA LYS A 21 0.829 9.726 11.592 1.00 0.00 C ATOM 271 C LYS A 21 -0.523 10.253 11.120 1.00 0.00 C ATOM 272 O LYS A 21 -0.619 11.362 10.594 1.00 0.00 O ATOM 273 CB LYS A 21 1.490 10.746 12.522 1.00 0.00 C ATOM 274 CG LYS A 21 0.630 11.126 13.719 1.00 0.00 C ATOM 275 CD LYS A 21 0.661 10.048 14.791 1.00 0.00 C ATOM 276 CE LYS A 21 1.917 10.145 15.643 1.00 0.00 C ATOM 277 NZ LYS A 21 1.620 10.641 17.015 1.00 0.00 N ATOM 0 H LYS A 21 2.281 10.213 10.158 1.00 0.00 H new ATOM 0 HA LYS A 21 0.664 8.798 12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.436 10.340 12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.724 11.646 11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.984 12.068 14.138 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.398 11.288 13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.219 10.141 15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.613 9.065 14.322 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.390 9.165 15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.631 10.813 15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.502 10.693 17.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.192 11.587 16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.958 9.990 17.484 1.00 0.00 H new ATOM 291 N VAL A 22 -1.565 9.456 11.326 1.00 0.00 N ATOM 292 CA VAL A 22 -2.904 9.832 10.946 1.00 0.00 C ATOM 293 C VAL A 22 -3.581 10.543 12.102 1.00 0.00 C ATOM 294 O VAL A 22 -4.129 9.908 13.004 1.00 0.00 O ATOM 295 CB VAL A 22 -3.729 8.592 10.547 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.169 8.968 10.234 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.090 7.888 9.364 1.00 0.00 C ATOM 0 H VAL A 22 -1.497 8.536 11.760 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.845 10.500 10.087 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.740 7.907 11.394 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.726 8.074 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.626 9.421 11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.188 9.679 9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.685 7.015 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.044 8.571 8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.081 7.572 9.630 1.00 0.00 H new ATOM 307 N GLU A 23 -3.559 11.860 12.058 1.00 0.00 N ATOM 308 CA GLU A 23 -4.193 12.657 13.095 1.00 0.00 C ATOM 309 C GLU A 23 -5.655 12.872 12.741 1.00 0.00 C ATOM 310 O GLU A 23 -6.427 13.414 13.531 1.00 0.00 O ATOM 311 CB GLU A 23 -3.485 14.011 13.265 1.00 0.00 C ATOM 312 CG GLU A 23 -2.184 14.143 12.483 1.00 0.00 C ATOM 313 CD GLU A 23 -1.411 15.396 12.844 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.893 16.503 12.525 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.324 15.271 13.447 1.00 0.00 O ATOM 0 H GLU A 23 -3.111 12.402 11.319 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.119 12.121 14.041 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.164 14.804 12.953 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.276 14.168 14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.561 13.269 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.405 14.152 11.416 1.00 0.00 H new ATOM 322 N TYR A 24 -6.026 12.444 11.536 1.00 0.00 N ATOM 323 CA TYR A 24 -7.403 12.595 11.070 1.00 0.00 C ATOM 324 C TYR A 24 -7.909 11.339 10.367 1.00 0.00 C ATOM 325 O TYR A 24 -7.160 10.668 9.662 1.00 0.00 O ATOM 326 CB TYR A 24 -7.522 13.799 10.136 1.00 0.00 C ATOM 327 CG TYR A 24 -8.931 14.341 10.021 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.268 15.572 10.567 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.923 13.618 9.369 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.554 16.069 10.467 1.00 0.00 C ATOM 331 CE2 TYR A 24 -11.211 14.109 9.263 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.521 15.334 9.814 1.00 0.00 C ATOM 333 OH TYR A 24 -12.802 15.826 9.712 1.00 0.00 O ATOM 0 H TYR A 24 -5.399 11.994 10.870 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.025 12.757 11.950 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.865 14.592 10.494 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.169 13.515 9.145 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.513 16.151 11.078 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.684 12.657 8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.800 17.028 10.898 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.970 13.536 8.751 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.364 15.179 9.236 1.00 0.00 H new ATOM 343 N THR A 25 -9.192 11.044 10.542 1.00 0.00 N ATOM 344 CA THR A 25 -9.801 9.885 9.900 1.00 0.00 C ATOM 345 C THR A 25 -11.309 10.064 9.779 1.00 0.00 C ATOM 346 O THR A 25 -12.025 10.101 10.780 1.00 0.00 O ATOM 347 CB THR A 25 -9.489 8.603 10.670 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.093 8.461 10.862 1.00 0.00 O ATOM 349 CG2 THR A 25 -9.988 7.358 9.968 1.00 0.00 C ATOM 0 H THR A 25 -9.829 11.590 11.122 1.00 0.00 H new ATOM 0 HA THR A 25 -9.376 9.800 8.900 1.00 0.00 H new ATOM 0 HB THR A 25 -10.007 8.699 11.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.615 9.017 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.737 6.480 10.563 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.070 7.417 9.847 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.517 7.279 8.988 1.00 0.00 H new ATOM 357 N ASP A 26 -11.782 10.172 8.544 1.00 0.00 N ATOM 358 CA ASP A 26 -13.204 10.348 8.280 1.00 0.00 C ATOM 359 C ASP A 26 -13.741 9.185 7.451 1.00 0.00 C ATOM 360 O ASP A 26 -13.123 8.122 7.384 1.00 0.00 O ATOM 361 CB ASP A 26 -13.442 11.675 7.552 1.00 0.00 C ATOM 362 CG ASP A 26 -14.410 12.576 8.292 1.00 0.00 C ATOM 363 OD1 ASP A 26 -14.182 13.803 8.314 1.00 0.00 O ATOM 364 OD2 ASP A 26 -15.398 12.053 8.851 1.00 0.00 O ATOM 0 H ASP A 26 -11.200 10.141 7.707 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.736 10.367 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.491 12.193 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.829 11.474 6.553 1.00 0.00 H new ATOM 369 N ALA A 27 -14.888 9.394 6.812 1.00 0.00 N ATOM 370 CA ALA A 27 -15.496 8.361 5.982 1.00 0.00 C ATOM 371 C ALA A 27 -14.699 8.136 4.697 1.00 0.00 C ATOM 372 O ALA A 27 -14.995 7.222 3.928 1.00 0.00 O ATOM 373 CB ALA A 27 -16.935 8.725 5.655 1.00 0.00 C ATOM 0 H ALA A 27 -15.414 10.267 6.853 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.486 7.429 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.376 7.945 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.505 8.820 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.957 9.672 5.116 1.00 0.00 H new ATOM 379 N SER A 28 -13.682 8.967 4.473 1.00 0.00 N ATOM 380 CA SER A 28 -12.846 8.847 3.286 1.00 0.00 C ATOM 381 C SER A 28 -11.670 7.914 3.555 1.00 0.00 C ATOM 382 O SER A 28 -11.142 7.282 2.640 1.00 0.00 O ATOM 383 CB SER A 28 -12.334 10.221 2.852 1.00 0.00 C ATOM 384 OG SER A 28 -11.933 10.993 3.971 1.00 0.00 O ATOM 0 H SER A 28 -13.420 9.729 5.099 1.00 0.00 H new ATOM 0 HA SER A 28 -13.451 8.427 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.493 10.100 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.116 10.747 2.304 1.00 0.00 H new ATOM 0 HG SER A 28 -11.154 11.537 3.731 1.00 0.00 H new ATOM 390 N GLY A 29 -11.270 7.831 4.820 1.00 0.00 N ATOM 391 CA GLY A 29 -10.164 6.974 5.194 1.00 0.00 C ATOM 392 C GLY A 29 -9.329 7.562 6.314 1.00 0.00 C ATOM 393 O GLY A 29 -9.867 8.039 7.314 1.00 0.00 O ATOM 0 H GLY A 29 -11.694 8.344 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.549 6.003 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.530 6.803 4.324 1.00 0.00 H new ATOM 397 N GLN A 30 -8.012 7.529 6.146 1.00 0.00 N ATOM 398 CA GLN A 30 -7.097 8.060 7.150 1.00 0.00 C ATOM 399 C GLN A 30 -6.253 9.184 6.564 1.00 0.00 C ATOM 400 O GLN A 30 -5.743 9.068 5.452 1.00 0.00 O ATOM 401 CB GLN A 30 -6.182 6.952 7.679 1.00 0.00 C ATOM 402 CG GLN A 30 -6.786 5.561 7.599 1.00 0.00 C ATOM 403 CD GLN A 30 -6.747 4.985 6.198 1.00 0.00 C ATOM 404 OE1 GLN A 30 -7.732 5.043 5.463 1.00 0.00 O ATOM 405 NE2 GLN A 30 -5.604 4.425 5.823 1.00 0.00 N ATOM 0 H GLN A 30 -7.553 7.139 5.323 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.691 8.456 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.249 6.965 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.930 7.168 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.248 4.897 8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.820 5.598 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.813 4.400 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.516 4.020 4.891 1.00 0.00 H new ATOM 414 N TRP A 31 -6.105 10.271 7.315 1.00 0.00 N ATOM 415 CA TRP A 31 -5.317 11.408 6.855 1.00 0.00 C ATOM 416 C TRP A 31 -4.290 11.825 7.904 1.00 0.00 C ATOM 417 O TRP A 31 -4.484 11.611 9.100 1.00 0.00 O ATOM 418 CB TRP A 31 -6.226 12.594 6.524 1.00 0.00 C ATOM 419 CG TRP A 31 -7.402 12.231 5.672 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.552 11.619 6.079 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.546 12.465 4.267 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.403 11.457 5.012 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.808 11.969 3.888 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.730 13.045 3.292 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -9.271 12.037 2.577 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -7.191 13.112 1.990 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.452 12.611 1.643 1.00 0.00 C ATOM 0 H TRP A 31 -6.518 10.388 8.240 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.788 11.100 5.953 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.585 13.036 7.454 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.640 13.358 6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.763 11.308 7.091 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.327 11.026 5.050 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.756 13.434 3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -10.242 11.650 2.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.569 13.558 1.228 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.785 12.679 0.618 1.00 0.00 H new ATOM 438 N GLY A 32 -3.201 12.425 7.440 1.00 0.00 N ATOM 439 CA GLY A 32 -2.153 12.874 8.335 1.00 0.00 C ATOM 440 C GLY A 32 -1.361 14.023 7.745 1.00 0.00 C ATOM 441 O GLY A 32 -1.847 14.727 6.860 1.00 0.00 O ATOM 0 H GLY A 32 -3.025 12.609 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.593 13.185 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.481 12.044 8.553 1.00 0.00 H new ATOM 445 N VAL A 33 -0.140 14.215 8.229 1.00 0.00 N ATOM 446 CA VAL A 33 0.709 15.291 7.731 1.00 0.00 C ATOM 447 C VAL A 33 2.185 14.928 7.830 1.00 0.00 C ATOM 448 O VAL A 33 2.786 15.022 8.900 1.00 0.00 O ATOM 449 CB VAL A 33 0.467 16.605 8.498 1.00 0.00 C ATOM 450 CG1 VAL A 33 1.349 17.719 7.950 1.00 0.00 C ATOM 451 CG2 VAL A 33 -1.002 16.998 8.433 1.00 0.00 C ATOM 0 H VAL A 33 0.283 13.644 8.961 1.00 0.00 H new ATOM 0 HA VAL A 33 0.443 15.434 6.684 1.00 0.00 H new ATOM 0 HB VAL A 33 0.733 16.446 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.162 18.638 8.506 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.397 17.438 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.120 17.879 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.154 17.928 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.296 17.137 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.609 16.211 8.880 1.00 0.00 H new ATOM 461 N GLN A 34 2.769 14.533 6.705 1.00 0.00 N ATOM 462 CA GLN A 34 4.182 14.181 6.670 1.00 0.00 C ATOM 463 C GLN A 34 4.953 15.160 5.798 1.00 0.00 C ATOM 464 O GLN A 34 4.656 15.318 4.616 1.00 0.00 O ATOM 465 CB GLN A 34 4.387 12.754 6.158 1.00 0.00 C ATOM 466 CG GLN A 34 5.547 12.042 6.832 1.00 0.00 C ATOM 467 CD GLN A 34 5.220 10.611 7.202 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.231 9.731 6.209 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 4.963 10.299 8.364 1.00 0.00 N flip ATOM 0 H GLN A 34 2.288 14.449 5.809 1.00 0.00 H new ATOM 0 HA GLN A 34 4.562 14.236 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.474 12.181 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.560 12.781 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.410 12.052 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.831 12.589 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.966 11.010 9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.747 9.330 8.596 1.00 0.00 H new ATOM 478 N ASN A 35 5.940 15.818 6.394 1.00 0.00 N ATOM 479 CA ASN A 35 6.761 16.790 5.681 1.00 0.00 C ATOM 480 C ASN A 35 5.992 18.099 5.459 1.00 0.00 C ATOM 481 O ASN A 35 6.373 18.928 4.633 1.00 0.00 O ATOM 482 CB ASN A 35 7.267 16.180 4.354 1.00 0.00 C ATOM 483 CG ASN A 35 6.753 16.881 3.106 1.00 0.00 C ATOM 484 OD1 ASN A 35 7.337 17.862 2.646 1.00 0.00 O ATOM 485 ND2 ASN A 35 5.659 16.375 2.549 1.00 0.00 N ATOM 0 H ASN A 35 6.192 15.695 7.375 1.00 0.00 H new ATOM 0 HA ASN A 35 7.632 17.036 6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.357 16.206 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.973 15.131 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.272 16.801 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.206 15.560 2.963 1.00 0.00 H new ATOM 492 N GLY A 36 4.917 18.286 6.224 1.00 0.00 N ATOM 493 CA GLY A 36 4.127 19.499 6.108 1.00 0.00 C ATOM 494 C GLY A 36 3.144 19.448 4.956 1.00 0.00 C ATOM 495 O GLY A 36 2.950 20.440 4.254 1.00 0.00 O ATOM 0 H GLY A 36 4.581 17.620 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.583 19.664 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.794 20.351 5.974 1.00 0.00 H new ATOM 499 N GLN A 37 2.519 18.292 4.759 1.00 0.00 N ATOM 500 CA GLN A 37 1.551 18.125 3.681 1.00 0.00 C ATOM 501 C GLN A 37 0.473 17.114 4.058 1.00 0.00 C ATOM 502 O GLN A 37 0.773 16.020 4.538 1.00 0.00 O ATOM 503 CB GLN A 37 2.258 17.680 2.399 1.00 0.00 C ATOM 504 CG GLN A 37 3.418 18.578 2.002 1.00 0.00 C ATOM 505 CD GLN A 37 3.814 18.410 0.548 1.00 0.00 C ATOM 506 OE1 GLN A 37 4.818 17.771 0.234 1.00 0.00 O ATOM 507 NE2 GLN A 37 3.024 18.988 -0.350 1.00 0.00 N ATOM 0 H GLN A 37 2.665 17.459 5.330 1.00 0.00 H new ATOM 0 HA GLN A 37 1.070 19.088 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.626 16.662 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.534 17.654 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.146 19.618 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.277 18.358 2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.201 19.508 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.240 18.911 -1.344 1.00 0.00 H new ATOM 516 N TRP A 38 -0.784 17.486 3.829 1.00 0.00 N ATOM 517 CA TRP A 38 -1.911 16.612 4.135 1.00 0.00 C ATOM 518 C TRP A 38 -2.007 15.487 3.113 1.00 0.00 C ATOM 519 O TRP A 38 -1.729 15.688 1.930 1.00 0.00 O ATOM 520 CB TRP A 38 -3.215 17.410 4.152 1.00 0.00 C ATOM 521 CG TRP A 38 -3.385 18.240 5.386 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.276 19.597 5.479 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.692 17.769 6.701 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.497 19.998 6.775 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.754 18.893 7.544 1.00 0.00 C ATOM 526 CE3 TRP A 38 -3.921 16.503 7.247 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -4.035 18.790 8.904 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -4.200 16.400 8.596 1.00 0.00 C ATOM 529 CH2 TRP A 38 -4.256 17.538 9.413 1.00 0.00 C ATOM 0 H TRP A 38 -1.047 18.388 3.432 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.748 16.178 5.122 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.246 18.060 3.278 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.056 16.721 4.067 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.050 20.258 4.656 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.474 20.961 7.110 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.881 15.621 6.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.077 19.666 9.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.378 15.427 9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.478 17.425 10.464 1.00 0.00 H new ATOM 540 N CYS A 39 -2.390 14.300 3.570 1.00 0.00 N ATOM 541 CA CYS A 39 -2.504 13.151 2.679 1.00 0.00 C ATOM 542 C CYS A 39 -3.315 12.018 3.297 1.00 0.00 C ATOM 543 O CYS A 39 -3.337 11.842 4.514 1.00 0.00 O ATOM 544 CB CYS A 39 -1.120 12.621 2.332 1.00 0.00 C ATOM 545 SG CYS A 39 -1.161 10.991 1.523 1.00 0.00 S ATOM 0 H CYS A 39 -2.625 14.109 4.544 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.021 13.496 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.619 13.333 1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.525 12.553 3.243 1.00 0.00 H new ATOM 550 N GLY A 40 -3.924 11.214 2.429 1.00 0.00 N ATOM 551 CA GLY A 40 -4.668 10.059 2.877 1.00 0.00 C ATOM 552 C GLY A 40 -3.742 8.862 2.971 1.00 0.00 C ATOM 553 O GLY A 40 -3.197 8.418 1.960 1.00 0.00 O ATOM 0 H GLY A 40 -3.912 11.347 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.120 10.259 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.483 9.848 2.184 1.00 0.00 H new ATOM 557 N ILE A 41 -3.524 8.366 4.180 1.00 0.00 N ATOM 558 CA ILE A 41 -2.611 7.247 4.382 1.00 0.00 C ATOM 559 C ILE A 41 -2.999 6.027 3.555 1.00 0.00 C ATOM 560 O ILE A 41 -4.110 5.508 3.661 1.00 0.00 O ATOM 561 CB ILE A 41 -2.504 6.869 5.879 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.508 7.792 6.575 1.00 0.00 C ATOM 563 CG2 ILE A 41 -2.078 5.420 6.052 1.00 0.00 C ATOM 564 CD1 ILE A 41 -1.866 9.254 6.468 1.00 0.00 C ATOM 0 H ILE A 41 -3.963 8.717 5.032 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.633 7.581 4.037 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.488 6.988 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.445 7.518 7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.519 7.636 6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.012 5.185 7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.812 4.766 5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.105 5.269 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.115 9.851 6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.901 9.544 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.841 9.424 6.924 1.00 0.00 H new ATOM 576 N ASP A 42 -2.050 5.570 2.743 1.00 0.00 N ATOM 577 CA ASP A 42 -2.248 4.402 1.900 1.00 0.00 C ATOM 578 C ASP A 42 -1.007 3.525 1.922 1.00 0.00 C ATOM 579 O ASP A 42 0.046 3.913 1.414 1.00 0.00 O ATOM 580 CB ASP A 42 -2.556 4.805 0.458 1.00 0.00 C ATOM 581 CG ASP A 42 -3.599 3.908 -0.177 1.00 0.00 C ATOM 582 OD1 ASP A 42 -3.552 3.725 -1.410 1.00 0.00 O ATOM 583 OD2 ASP A 42 -4.462 3.389 0.562 1.00 0.00 O ATOM 0 H ASP A 42 -1.129 5.998 2.653 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.099 3.847 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.906 5.837 0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.640 4.768 -0.131 1.00 0.00 H new ATOM 588 N TYR A 43 -1.134 2.342 2.500 1.00 0.00 N ATOM 589 CA TYR A 43 -0.012 1.415 2.569 1.00 0.00 C ATOM 590 C TYR A 43 0.198 0.714 1.226 1.00 0.00 C ATOM 591 O TYR A 43 1.064 -0.152 1.098 1.00 0.00 O ATOM 592 CB TYR A 43 -0.233 0.385 3.679 1.00 0.00 C ATOM 593 CG TYR A 43 -0.802 0.977 4.951 1.00 0.00 C ATOM 594 CD1 TYR A 43 -0.375 2.215 5.417 1.00 0.00 C ATOM 595 CD2 TYR A 43 -1.765 0.297 5.686 1.00 0.00 C ATOM 596 CE1 TYR A 43 -0.891 2.759 6.578 1.00 0.00 C ATOM 597 CE2 TYR A 43 -2.287 0.834 6.847 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.847 2.064 7.289 1.00 0.00 C ATOM 599 OH TYR A 43 -2.365 2.602 8.445 1.00 0.00 O ATOM 0 H TYR A 43 -1.996 2.001 2.926 1.00 0.00 H new ATOM 0 HA TYR A 43 0.886 1.987 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.908 -0.390 3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.716 -0.100 3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.373 2.761 4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.111 -0.667 5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.548 3.722 6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.036 0.293 7.406 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.028 1.987 8.824 1.00 0.00 H new ATOM 609 N SER A 44 -0.596 1.097 0.225 1.00 0.00 N ATOM 610 CA SER A 44 -0.492 0.513 -1.104 1.00 0.00 C ATOM 611 C SER A 44 -0.713 1.569 -2.182 1.00 0.00 C ATOM 612 O SER A 44 -1.504 1.372 -3.103 1.00 0.00 O ATOM 613 CB SER A 44 -1.506 -0.619 -1.273 1.00 0.00 C ATOM 614 OG SER A 44 -0.974 -1.853 -0.822 1.00 0.00 O ATOM 0 H SER A 44 -1.319 1.811 0.314 1.00 0.00 H new ATOM 0 HA SER A 44 0.514 0.109 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.413 -0.385 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.790 -0.704 -2.322 1.00 0.00 H new ATOM 0 HG SER A 44 -0.264 -1.684 -0.168 1.00 0.00 H new ATOM 620 N TYR A 45 -0.011 2.692 -2.062 1.00 0.00 N ATOM 621 CA TYR A 45 -0.140 3.773 -3.030 1.00 0.00 C ATOM 622 C TYR A 45 0.767 3.544 -4.247 1.00 0.00 C ATOM 623 O TYR A 45 1.249 4.493 -4.858 1.00 0.00 O ATOM 624 CB TYR A 45 0.162 5.127 -2.364 1.00 0.00 C ATOM 625 CG TYR A 45 1.603 5.571 -2.476 1.00 0.00 C ATOM 626 CD1 TYR A 45 1.936 6.913 -2.605 1.00 0.00 C ATOM 627 CD2 TYR A 45 2.630 4.640 -2.457 1.00 0.00 C ATOM 628 CE1 TYR A 45 3.254 7.312 -2.714 1.00 0.00 C ATOM 629 CE2 TYR A 45 3.944 5.026 -2.566 1.00 0.00 C ATOM 630 CZ TYR A 45 4.257 6.364 -2.695 1.00 0.00 C ATOM 631 OH TYR A 45 5.571 6.755 -2.802 1.00 0.00 O ATOM 0 H TYR A 45 0.650 2.876 -1.307 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.169 3.786 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.476 5.889 -2.812 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.106 5.067 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.152 7.656 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.393 3.591 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.498 8.359 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.729 4.285 -2.551 1.00 0.00 H new ATOM 0 HH TYR A 45 6.151 5.966 -2.770 1.00 0.00 H new ATOM 743 N CYS A 54 6.501 -1.691 4.658 1.00 0.00 N ATOM 744 CA CYS A 54 6.436 -2.967 5.362 1.00 0.00 C ATOM 745 C CYS A 54 5.003 -3.489 5.422 1.00 0.00 C ATOM 746 O CYS A 54 4.050 -2.721 5.295 1.00 0.00 O ATOM 747 CB CYS A 54 7.005 -2.824 6.782 1.00 0.00 C ATOM 748 SG CYS A 54 5.868 -2.035 7.974 1.00 0.00 S ATOM 0 HA CYS A 54 7.039 -3.687 4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.273 -3.813 7.154 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.925 -2.241 6.735 1.00 0.00 H new ATOM 753 N THR A 55 4.856 -4.793 5.633 1.00 0.00 N ATOM 754 CA THR A 55 3.532 -5.400 5.729 1.00 0.00 C ATOM 755 C THR A 55 3.064 -5.386 7.174 1.00 0.00 C ATOM 756 O THR A 55 3.865 -5.222 8.094 1.00 0.00 O ATOM 757 CB THR A 55 3.540 -6.838 5.196 1.00 0.00 C ATOM 758 OG1 THR A 55 3.815 -6.856 3.806 1.00 0.00 O ATOM 759 CG2 THR A 55 2.230 -7.576 5.416 1.00 0.00 C ATOM 0 H THR A 55 5.632 -5.447 5.740 1.00 0.00 H new ATOM 0 HA THR A 55 2.844 -4.817 5.117 1.00 0.00 H new ATOM 0 HB THR A 55 4.320 -7.347 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.784 -6.828 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.309 -8.586 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.016 -7.626 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.424 -7.046 4.909 1.00 0.00 H new ATOM 767 N GLY A 56 1.767 -5.559 7.371 1.00 0.00 N ATOM 768 CA GLY A 56 1.226 -5.561 8.710 1.00 0.00 C ATOM 769 C GLY A 56 1.124 -4.170 9.293 1.00 0.00 C ATOM 770 O GLY A 56 0.937 -4.012 10.497 1.00 0.00 O ATOM 0 H GLY A 56 1.082 -5.698 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.238 -6.021 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.856 -6.176 9.353 1.00 0.00 H new ATOM 774 N ASN A 57 1.236 -3.158 8.439 1.00 0.00 N ATOM 775 CA ASN A 57 1.146 -1.775 8.892 1.00 0.00 C ATOM 776 C ASN A 57 -0.308 -1.359 9.104 1.00 0.00 C ATOM 777 O ASN A 57 -0.590 -0.205 9.428 1.00 0.00 O ATOM 778 CB ASN A 57 1.822 -0.824 7.896 1.00 0.00 C ATOM 779 CG ASN A 57 1.573 -1.181 6.437 1.00 0.00 C ATOM 780 OD1 ASN A 57 2.420 -0.934 5.580 1.00 0.00 O ATOM 781 ND2 ASN A 57 0.412 -1.757 6.139 1.00 0.00 N ATOM 0 H ASN A 57 1.388 -3.268 7.436 1.00 0.00 H new ATOM 0 HA ASN A 57 1.669 -1.710 9.846 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.466 0.190 8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.896 -0.823 8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.201 -2.009 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.267 -1.947 6.876 1.00 0.00 H new ATOM 788 N GLY A 58 -1.232 -2.303 8.928 1.00 0.00 N ATOM 789 CA GLY A 58 -2.637 -2.004 9.116 1.00 0.00 C ATOM 790 C GLY A 58 -3.124 -2.359 10.509 1.00 0.00 C ATOM 791 O GLY A 58 -4.309 -2.219 10.811 1.00 0.00 O ATOM 0 H GLY A 58 -1.030 -3.266 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.807 -0.943 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.224 -2.552 8.379 1.00 0.00 H new ATOM 795 N SER A 59 -2.211 -2.822 11.360 1.00 0.00 N ATOM 796 CA SER A 59 -2.567 -3.195 12.723 1.00 0.00 C ATOM 797 C SER A 59 -1.339 -3.220 13.631 1.00 0.00 C ATOM 798 O SER A 59 -1.273 -2.491 14.621 1.00 0.00 O ATOM 799 CB SER A 59 -3.252 -4.564 12.736 1.00 0.00 C ATOM 800 OG SER A 59 -3.506 -4.995 14.062 1.00 0.00 O ATOM 0 H SER A 59 -1.225 -2.947 11.130 1.00 0.00 H new ATOM 0 HA SER A 59 -3.257 -2.443 13.105 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.189 -4.510 12.182 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.622 -5.294 12.227 1.00 0.00 H new ATOM 0 HG SER A 59 -2.953 -5.779 14.263 1.00 0.00 H new ATOM 806 N TYR A 60 -0.374 -4.070 13.293 1.00 0.00 N ATOM 807 CA TYR A 60 0.849 -4.197 14.085 1.00 0.00 C ATOM 808 C TYR A 60 2.024 -3.497 13.397 1.00 0.00 C ATOM 809 O TYR A 60 1.857 -2.878 12.347 1.00 0.00 O ATOM 810 CB TYR A 60 1.183 -5.678 14.320 1.00 0.00 C ATOM 811 CG TYR A 60 0.093 -6.639 13.899 1.00 0.00 C ATOM 812 CD1 TYR A 60 0.014 -7.090 12.590 1.00 0.00 C ATOM 813 CD2 TYR A 60 -0.852 -7.093 14.810 1.00 0.00 C ATOM 814 CE1 TYR A 60 -0.977 -7.969 12.197 1.00 0.00 C ATOM 815 CE2 TYR A 60 -1.847 -7.972 14.425 1.00 0.00 C ATOM 816 CZ TYR A 60 -1.904 -8.407 13.118 1.00 0.00 C ATOM 817 OH TYR A 60 -2.893 -9.283 12.731 1.00 0.00 O ATOM 0 H TYR A 60 -0.413 -4.681 12.477 1.00 0.00 H new ATOM 0 HA TYR A 60 0.678 -3.715 15.047 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.096 -5.923 13.777 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.393 -5.827 15.379 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.739 -6.749 11.866 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.809 -6.754 15.835 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.025 -8.311 11.174 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.576 -8.316 15.144 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.463 -9.493 13.500 1.00 0.00 H new ATOM 827 N PRO A 61 3.232 -3.574 13.987 1.00 0.00 N ATOM 828 CA PRO A 61 4.427 -2.941 13.430 1.00 0.00 C ATOM 829 C PRO A 61 5.171 -3.849 12.457 1.00 0.00 C ATOM 830 O PRO A 61 4.822 -5.019 12.295 1.00 0.00 O ATOM 831 CB PRO A 61 5.272 -2.713 14.676 1.00 0.00 C ATOM 832 CG PRO A 61 4.975 -3.900 15.531 1.00 0.00 C ATOM 833 CD PRO A 61 3.537 -4.271 15.254 1.00 0.00 C ATOM 0 HA PRO A 61 4.196 -2.043 12.857 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.333 -2.650 14.434 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.004 -1.783 15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.643 -4.728 15.293 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.120 -3.666 16.586 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.413 -5.350 15.157 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.878 -3.946 16.059 1.00 0.00 H new ATOM 841 N CYS A 62 6.214 -3.312 11.830 1.00 0.00 N ATOM 842 CA CYS A 62 7.022 -4.084 10.896 1.00 0.00 C ATOM 843 C CYS A 62 7.942 -5.017 11.677 1.00 0.00 C ATOM 844 O CYS A 62 8.034 -4.920 12.900 1.00 0.00 O ATOM 845 CB CYS A 62 7.850 -3.163 9.991 1.00 0.00 C ATOM 846 SG CYS A 62 7.045 -1.581 9.567 1.00 0.00 S ATOM 0 H CYS A 62 6.518 -2.346 11.953 1.00 0.00 H new ATOM 0 HA CYS A 62 6.358 -4.670 10.260 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.799 -2.951 10.483 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.081 -3.696 9.068 1.00 0.00 H new ATOM 851 N CYS A 63 8.618 -5.922 10.979 1.00 0.00 N ATOM 852 CA CYS A 63 9.516 -6.862 11.641 1.00 0.00 C ATOM 853 C CYS A 63 10.974 -6.508 11.381 1.00 0.00 C ATOM 854 O CYS A 63 11.828 -6.712 12.242 1.00 0.00 O ATOM 855 CB CYS A 63 9.225 -8.291 11.171 1.00 0.00 C ATOM 856 SG CYS A 63 8.769 -9.443 12.508 1.00 0.00 S ATOM 0 H CYS A 63 8.563 -6.025 9.966 1.00 0.00 H new ATOM 0 HA CYS A 63 9.341 -6.798 12.715 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.417 -8.263 10.440 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.105 -8.678 10.658 1.00 0.00 H new ATOM 861 N ASN A 64 11.239 -5.990 10.182 1.00 0.00 N ATOM 862 CA ASN A 64 12.585 -5.597 9.751 1.00 0.00 C ATOM 863 C ASN A 64 13.201 -6.681 8.874 1.00 0.00 C ATOM 864 O ASN A 64 14.225 -6.463 8.227 1.00 0.00 O ATOM 865 CB ASN A 64 13.507 -5.298 10.940 1.00 0.00 C ATOM 866 CG ASN A 64 14.880 -4.832 10.502 1.00 0.00 C ATOM 867 OD1 ASN A 64 15.085 -3.657 10.198 1.00 0.00 O ATOM 868 ND2 ASN A 64 15.828 -5.759 10.470 1.00 0.00 N ATOM 0 H ASN A 64 10.521 -5.829 9.475 1.00 0.00 H new ATOM 0 HA ASN A 64 12.482 -4.679 9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.050 -4.533 11.568 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.608 -6.194 11.552 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.775 -5.510 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.610 -6.721 10.731 1.00 0.00 H new ATOM 875 N THR A 65 12.569 -7.850 8.857 1.00 0.00 N ATOM 876 CA THR A 65 13.046 -8.964 8.063 1.00 0.00 C ATOM 877 C THR A 65 12.074 -9.272 6.927 1.00 0.00 C ATOM 878 O THR A 65 10.860 -9.293 7.128 1.00 0.00 O ATOM 879 CB THR A 65 13.222 -10.193 8.960 1.00 0.00 C ATOM 880 OG1 THR A 65 14.166 -11.092 8.407 1.00 0.00 O ATOM 881 CG2 THR A 65 11.937 -10.963 9.202 1.00 0.00 C ATOM 0 H THR A 65 11.721 -8.046 9.389 1.00 0.00 H new ATOM 0 HA THR A 65 14.007 -8.698 7.623 1.00 0.00 H new ATOM 0 HB THR A 65 13.567 -9.796 9.915 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.263 -11.868 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.141 -11.819 9.845 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.208 -10.312 9.685 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.537 -11.312 8.250 1.00 0.00 H new ATOM 889 N CYS A 66 12.613 -9.529 5.741 1.00 0.00 N ATOM 890 CA CYS A 66 11.782 -9.858 4.591 1.00 0.00 C ATOM 891 C CYS A 66 11.497 -11.362 4.566 1.00 0.00 C ATOM 892 O CYS A 66 10.911 -11.884 3.617 1.00 0.00 O ATOM 893 CB CYS A 66 12.463 -9.397 3.293 1.00 0.00 C ATOM 894 SG CYS A 66 13.440 -10.683 2.441 1.00 0.00 S ATOM 0 H CYS A 66 13.615 -9.516 5.552 1.00 0.00 H new ATOM 0 HA CYS A 66 10.830 -9.333 4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.698 -9.029 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 66 13.117 -8.556 3.522 1.00 0.00 H new ATOM 0 HG CYS A 66 13.965 -10.185 1.361 1.00 0.00 H new ATOM 899 N GLN A 67 11.911 -12.044 5.633 1.00 0.00 N ATOM 900 CA GLN A 67 11.709 -13.477 5.775 1.00 0.00 C ATOM 901 C GLN A 67 10.393 -13.739 6.493 1.00 0.00 C ATOM 902 O GLN A 67 10.307 -13.622 7.714 1.00 0.00 O ATOM 903 CB GLN A 67 12.883 -14.092 6.555 1.00 0.00 C ATOM 904 CG GLN A 67 12.553 -15.376 7.307 1.00 0.00 C ATOM 905 CD GLN A 67 12.610 -15.199 8.816 1.00 0.00 C ATOM 906 OE1 GLN A 67 12.185 -14.033 9.298 1.00 0.00 O flip ATOM 907 NE2 GLN A 67 13.030 -16.102 9.540 1.00 0.00 N flip ATOM 0 H GLN A 67 12.396 -11.614 6.421 1.00 0.00 H new ATOM 0 HA GLN A 67 11.667 -13.940 4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.696 -14.295 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.252 -13.355 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.557 -15.714 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.252 -16.157 7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.346 -16.980 9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.062 -15.972 10.551 1.00 0.00 H new ATOM 916 N ALA A 68 9.368 -14.085 5.735 1.00 0.00 N ATOM 917 CA ALA A 68 8.067 -14.350 6.316 1.00 0.00 C ATOM 918 C ALA A 68 7.934 -15.800 6.736 1.00 0.00 C ATOM 919 O ALA A 68 8.231 -16.720 5.974 1.00 0.00 O ATOM 920 CB ALA A 68 6.962 -13.969 5.353 1.00 0.00 C ATOM 0 H ALA A 68 9.412 -14.188 4.721 1.00 0.00 H new ATOM 0 HA ALA A 68 7.972 -13.735 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.994 -14.176 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.033 -12.907 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.062 -14.550 4.436 1.00 0.00 H new ATOM 926 N THR A 69 7.477 -15.984 7.959 1.00 0.00 N ATOM 927 CA THR A 69 7.281 -17.311 8.523 1.00 0.00 C ATOM 928 C THR A 69 5.826 -17.745 8.357 1.00 0.00 C ATOM 929 O THR A 69 5.502 -18.928 8.464 1.00 0.00 O ATOM 930 CB THR A 69 7.683 -17.319 10.004 1.00 0.00 C ATOM 931 OG1 THR A 69 6.722 -17.999 10.794 1.00 0.00 O ATOM 932 CG2 THR A 69 7.852 -15.929 10.584 1.00 0.00 C ATOM 0 H THR A 69 7.231 -15.222 8.591 1.00 0.00 H new ATOM 0 HA THR A 69 7.914 -18.020 7.989 1.00 0.00 H new ATOM 0 HB THR A 69 8.644 -17.833 10.033 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.005 -17.990 11.732 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.136 -16.005 11.634 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.629 -15.398 10.035 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.912 -15.383 10.501 1.00 0.00 H new ATOM 940 N TYR A 70 4.955 -16.775 8.088 1.00 0.00 N ATOM 941 CA TYR A 70 3.540 -17.044 7.901 1.00 0.00 C ATOM 942 C TYR A 70 2.915 -15.975 7.009 1.00 0.00 C ATOM 943 O TYR A 70 3.169 -14.788 7.188 1.00 0.00 O ATOM 944 CB TYR A 70 2.832 -17.110 9.265 1.00 0.00 C ATOM 945 CG TYR A 70 2.138 -15.828 9.690 1.00 0.00 C ATOM 946 CD1 TYR A 70 1.039 -15.340 8.989 1.00 0.00 C ATOM 947 CD2 TYR A 70 2.577 -15.114 10.797 1.00 0.00 C ATOM 948 CE1 TYR A 70 0.404 -14.179 9.378 1.00 0.00 C ATOM 949 CE2 TYR A 70 1.945 -13.950 11.193 1.00 0.00 C ATOM 950 CZ TYR A 70 0.859 -13.487 10.481 1.00 0.00 C ATOM 951 OH TYR A 70 0.226 -12.329 10.872 1.00 0.00 O ATOM 0 H TYR A 70 5.211 -15.792 7.995 1.00 0.00 H new ATOM 0 HA TYR A 70 3.420 -18.009 7.408 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.095 -17.912 9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.565 -17.378 10.026 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.677 -15.879 8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.427 -15.474 11.358 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.446 -13.813 8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.300 -13.406 12.056 1.00 0.00 H new ATOM 0 HH TYR A 70 0.459 -11.604 10.255 1.00 0.00 H new ATOM 961 N THR A 71 2.092 -16.397 6.057 1.00 0.00 N ATOM 962 CA THR A 71 1.434 -15.462 5.155 1.00 0.00 C ATOM 963 C THR A 71 -0.074 -15.481 5.366 1.00 0.00 C ATOM 964 O THR A 71 -0.670 -16.539 5.570 1.00 0.00 O ATOM 965 CB THR A 71 1.769 -15.789 3.699 1.00 0.00 C ATOM 966 OG1 THR A 71 3.154 -15.619 3.454 1.00 0.00 O ATOM 967 CG2 THR A 71 1.017 -14.926 2.706 1.00 0.00 C ATOM 0 H THR A 71 1.865 -17.377 5.890 1.00 0.00 H new ATOM 0 HA THR A 71 1.802 -14.461 5.379 1.00 0.00 H new ATOM 0 HB THR A 71 1.468 -16.827 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.350 -15.834 2.518 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.299 -15.208 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.055 -15.070 2.837 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.265 -13.878 2.874 1.00 0.00 H new ATOM 975 N ASP A 72 -0.682 -14.304 5.316 1.00 0.00 N ATOM 976 CA ASP A 72 -2.120 -14.179 5.502 1.00 0.00 C ATOM 977 C ASP A 72 -2.779 -13.594 4.260 1.00 0.00 C ATOM 978 O ASP A 72 -2.168 -13.527 3.193 1.00 0.00 O ATOM 979 CB ASP A 72 -2.426 -13.308 6.723 1.00 0.00 C ATOM 980 CG ASP A 72 -3.477 -13.927 7.625 1.00 0.00 C ATOM 981 OD1 ASP A 72 -3.546 -15.172 7.689 1.00 0.00 O ATOM 982 OD2 ASP A 72 -4.230 -13.166 8.268 1.00 0.00 O ATOM 0 H ASP A 72 -0.200 -13.421 5.148 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.528 -15.176 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.510 -13.150 7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.768 -12.328 6.390 1.00 0.00 H new ATOM 987 N GLY A 73 -4.031 -13.176 4.405 1.00 0.00 N ATOM 988 CA GLY A 73 -4.758 -12.608 3.287 1.00 0.00 C ATOM 989 C GLY A 73 -4.350 -11.179 2.967 1.00 0.00 C ATOM 990 O GLY A 73 -4.994 -10.520 2.151 1.00 0.00 O ATOM 0 H GLY A 73 -4.556 -13.221 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.599 -13.230 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.825 -12.633 3.506 1.00 0.00 H new ATOM 994 N ASP A 74 -3.280 -10.689 3.597 1.00 0.00 N ATOM 995 CA ASP A 74 -2.816 -9.330 3.345 1.00 0.00 C ATOM 996 C ASP A 74 -1.332 -9.315 2.987 1.00 0.00 C ATOM 997 O ASP A 74 -0.725 -8.250 2.864 1.00 0.00 O ATOM 998 CB ASP A 74 -3.066 -8.442 4.566 1.00 0.00 C ATOM 999 CG ASP A 74 -4.442 -8.655 5.167 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -5.435 -8.222 4.545 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -4.528 -9.256 6.259 1.00 0.00 O ATOM 0 H ASP A 74 -2.726 -11.209 4.278 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.380 -8.937 2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.307 -8.647 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.956 -7.396 4.279 1.00 0.00 H new ATOM 1006 N GLY A 75 -0.750 -10.501 2.825 1.00 0.00 N ATOM 1007 CA GLY A 75 0.654 -10.597 2.489 1.00 0.00 C ATOM 1008 C GLY A 75 1.388 -11.549 3.405 1.00 0.00 C ATOM 1009 O GLY A 75 0.766 -12.325 4.132 1.00 0.00 O ATOM 0 H GLY A 75 -1.229 -11.396 2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.758 -10.933 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.111 -9.609 2.551 1.00 0.00 H new ATOM 1013 N ASP A 76 2.711 -11.494 3.377 1.00 0.00 N ATOM 1014 CA ASP A 76 3.522 -12.361 4.219 1.00 0.00 C ATOM 1015 C ASP A 76 3.713 -11.737 5.598 1.00 0.00 C ATOM 1016 O ASP A 76 3.501 -10.538 5.780 1.00 0.00 O ATOM 1017 CB ASP A 76 4.876 -12.643 3.560 1.00 0.00 C ATOM 1018 CG ASP A 76 4.831 -12.542 2.046 1.00 0.00 C ATOM 1019 OD1 ASP A 76 3.767 -12.835 1.462 1.00 0.00 O ATOM 1020 OD2 ASP A 76 5.862 -12.172 1.446 1.00 0.00 O ATOM 0 H ASP A 76 3.245 -10.860 2.782 1.00 0.00 H new ATOM 0 HA ASP A 76 3.000 -13.310 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.614 -11.939 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.210 -13.641 3.842 1.00 0.00 H new ATOM 1025 N TRP A 77 4.092 -12.558 6.569 1.00 0.00 N ATOM 1026 CA TRP A 77 4.284 -12.087 7.938 1.00 0.00 C ATOM 1027 C TRP A 77 5.464 -12.766 8.615 1.00 0.00 C ATOM 1028 O TRP A 77 5.859 -13.873 8.250 1.00 0.00 O ATOM 1029 CB TRP A 77 3.011 -12.317 8.753 1.00 0.00 C ATOM 1030 CG TRP A 77 1.781 -11.732 8.123 1.00 0.00 C ATOM 1031 CD1 TRP A 77 1.026 -12.273 7.118 1.00 0.00 C ATOM 1032 CD2 TRP A 77 1.161 -10.487 8.459 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -0.020 -11.440 6.814 1.00 0.00 N ATOM 1034 CE2 TRP A 77 0.040 -10.340 7.621 1.00 0.00 C ATOM 1035 CE3 TRP A 77 1.444 -9.483 9.386 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -0.796 -9.233 7.685 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 0.612 -8.383 9.448 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -0.497 -8.266 8.601 1.00 0.00 C ATOM 0 H TRP A 77 4.273 -13.553 6.436 1.00 0.00 H new ATOM 0 HA TRP A 77 4.502 -11.020 7.891 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.865 -13.389 8.889 1.00 0.00 H new ATOM 0 HB3 TRP A 77 3.142 -11.885 9.745 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.225 -13.218 6.635 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.728 -11.614 6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.298 -9.565 10.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -1.652 -9.140 7.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.820 -7.600 10.162 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -1.129 -7.393 8.674 1.00 0.00 H new ATOM 1049 N ALA A 78 6.019 -12.082 9.613 1.00 0.00 N ATOM 1050 CA ALA A 78 7.151 -12.599 10.361 1.00 0.00 C ATOM 1051 C ALA A 78 6.951 -12.400 11.858 1.00 0.00 C ATOM 1052 O ALA A 78 6.030 -11.702 12.283 1.00 0.00 O ATOM 1053 CB ALA A 78 8.437 -11.930 9.903 1.00 0.00 C ATOM 0 H ALA A 78 5.697 -11.164 9.920 1.00 0.00 H new ATOM 0 HA ALA A 78 7.226 -13.669 10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.277 -12.328 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.592 -12.127 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.365 -10.855 10.065 1.00 0.00 H new ATOM 1059 N PHE A 79 7.818 -13.015 12.655 1.00 0.00 N ATOM 1060 CA PHE A 79 7.730 -12.902 14.106 1.00 0.00 C ATOM 1061 C PHE A 79 9.093 -12.587 14.713 1.00 0.00 C ATOM 1062 O PHE A 79 9.969 -13.448 14.776 1.00 0.00 O ATOM 1063 CB PHE A 79 7.179 -14.196 14.707 1.00 0.00 C ATOM 1064 CG PHE A 79 6.994 -14.135 16.197 1.00 0.00 C ATOM 1065 CD1 PHE A 79 7.824 -14.856 17.042 1.00 0.00 C ATOM 1066 CD2 PHE A 79 5.993 -13.354 16.752 1.00 0.00 C ATOM 1067 CE1 PHE A 79 7.657 -14.800 18.412 1.00 0.00 C ATOM 1068 CE2 PHE A 79 5.820 -13.295 18.122 1.00 0.00 C ATOM 1069 CZ PHE A 79 6.654 -14.019 18.954 1.00 0.00 C ATOM 0 H PHE A 79 8.588 -13.595 12.322 1.00 0.00 H new ATOM 0 HA PHE A 79 7.051 -12.082 14.339 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.222 -14.425 14.239 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.856 -15.016 14.466 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.610 -15.468 16.624 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.340 -12.785 16.107 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.310 -15.366 19.059 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.035 -12.684 18.542 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.522 -13.974 20.025 1.00 0.00 H new ATOM 1079 N GLU A 80 9.261 -11.348 15.163 1.00 0.00 N ATOM 1080 CA GLU A 80 10.515 -10.921 15.771 1.00 0.00 C ATOM 1081 C GLU A 80 10.254 -9.981 16.943 1.00 0.00 C ATOM 1082 O GLU A 80 9.205 -9.342 17.018 1.00 0.00 O ATOM 1083 CB GLU A 80 11.415 -10.248 14.728 1.00 0.00 C ATOM 1084 CG GLU A 80 11.156 -8.760 14.537 1.00 0.00 C ATOM 1085 CD GLU A 80 11.986 -7.899 15.469 1.00 0.00 C ATOM 1086 OE1 GLU A 80 11.613 -6.728 15.687 1.00 0.00 O ATOM 1087 OE2 GLU A 80 13.011 -8.398 15.980 1.00 0.00 O ATOM 0 H GLU A 80 8.545 -10.623 15.118 1.00 0.00 H new ATOM 0 HA GLU A 80 11.029 -11.803 16.152 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.456 -10.388 15.020 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.281 -10.753 13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.375 -8.487 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.099 -8.555 14.704 1.00 0.00 H new ATOM 1094 N ASN A 81 11.211 -9.908 17.861 1.00 0.00 N ATOM 1095 CA ASN A 81 11.078 -9.053 19.033 1.00 0.00 C ATOM 1096 C ASN A 81 9.835 -9.430 19.838 1.00 0.00 C ATOM 1097 O ASN A 81 9.325 -8.629 20.622 1.00 0.00 O ATOM 1098 CB ASN A 81 11.004 -7.583 18.613 1.00 0.00 C ATOM 1099 CG ASN A 81 12.335 -6.871 18.765 1.00 0.00 C ATOM 1100 OD1 ASN A 81 13.415 -7.550 18.397 1.00 0.00 O flip ATOM 1101 ND2 ASN A 81 12.390 -5.725 19.209 1.00 0.00 N flip ATOM 0 H ASN A 81 12.086 -10.430 17.816 1.00 0.00 H new ATOM 0 HA ASN A 81 11.956 -9.198 19.662 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.678 -7.520 17.575 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.251 -7.073 19.215 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.534 -5.241 19.479 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.292 -5.259 19.307 1.00 0.00 H new ATOM 1108 N GLY A 82 9.351 -10.653 19.635 1.00 0.00 N ATOM 1109 CA GLY A 82 8.173 -11.112 20.345 1.00 0.00 C ATOM 1110 C GLY A 82 6.912 -10.401 19.898 1.00 0.00 C ATOM 1111 O GLY A 82 6.030 -10.122 20.710 1.00 0.00 O ATOM 0 H GLY A 82 9.755 -11.333 18.991 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.055 -12.185 20.191 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.314 -10.957 21.415 1.00 0.00 H new ATOM 1115 N ASN A 83 6.823 -10.103 18.603 1.00 0.00 N ATOM 1116 CA ASN A 83 5.653 -9.415 18.063 1.00 0.00 C ATOM 1117 C ASN A 83 5.337 -9.885 16.646 1.00 0.00 C ATOM 1118 O ASN A 83 6.239 -10.129 15.844 1.00 0.00 O ATOM 1119 CB ASN A 83 5.871 -7.898 18.073 1.00 0.00 C ATOM 1120 CG ASN A 83 7.307 -7.512 17.771 1.00 0.00 C ATOM 1121 OD1 ASN A 83 8.184 -7.618 18.628 1.00 0.00 O ATOM 1122 ND2 ASN A 83 7.553 -7.058 16.548 1.00 0.00 N ATOM 0 H ASN A 83 7.541 -10.325 17.913 1.00 0.00 H new ATOM 0 HA ASN A 83 4.803 -9.658 18.701 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.212 -7.435 17.338 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.589 -7.501 19.048 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.499 -6.781 16.288 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.796 -6.987 15.869 1.00 0.00 H new ATOM 1129 N TRP A 84 4.046 -10.004 16.345 1.00 0.00 N ATOM 1130 CA TRP A 84 3.601 -10.440 15.025 1.00 0.00 C ATOM 1131 C TRP A 84 3.685 -9.296 14.023 1.00 0.00 C ATOM 1132 O TRP A 84 2.701 -8.603 13.766 1.00 0.00 O ATOM 1133 CB TRP A 84 2.167 -10.969 15.094 1.00 0.00 C ATOM 1134 CG TRP A 84 2.040 -12.242 15.874 1.00 0.00 C ATOM 1135 CD1 TRP A 84 1.339 -12.428 17.030 1.00 0.00 C ATOM 1136 CD2 TRP A 84 2.631 -13.506 15.553 1.00 0.00 C ATOM 1137 NE1 TRP A 84 1.459 -13.731 17.449 1.00 0.00 N ATOM 1138 CE2 TRP A 84 2.247 -14.413 16.559 1.00 0.00 C ATOM 1139 CE3 TRP A 84 3.448 -13.960 14.513 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 2.651 -15.745 16.554 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 3.849 -15.283 14.510 1.00 0.00 C ATOM 1142 CH2 TRP A 84 3.450 -16.162 15.525 1.00 0.00 C ATOM 0 H TRP A 84 3.289 -9.804 16.999 1.00 0.00 H new ATOM 0 HA TRP A 84 4.259 -11.243 14.693 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.529 -10.210 15.546 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.799 -11.134 14.081 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.773 -11.663 17.541 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.031 -14.126 18.286 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.760 -13.289 13.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.344 -16.425 17.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.480 -15.645 13.712 1.00 0.00 H new ATOM 0 HH2 TRP A 84 3.780 -17.190 15.495 1.00 0.00 H new ATOM 1153 N CYS A 85 4.871 -9.108 13.460 1.00 0.00 N ATOM 1154 CA CYS A 85 5.099 -8.051 12.481 1.00 0.00 C ATOM 1155 C CYS A 85 4.943 -8.591 11.064 1.00 0.00 C ATOM 1156 O CYS A 85 5.073 -9.792 10.829 1.00 0.00 O ATOM 1157 CB CYS A 85 6.494 -7.425 12.650 1.00 0.00 C ATOM 1158 SG CYS A 85 7.627 -8.326 13.764 1.00 0.00 S ATOM 0 H CYS A 85 5.693 -9.675 13.665 1.00 0.00 H new ATOM 0 HA CYS A 85 4.352 -7.276 12.652 1.00 0.00 H new ATOM 0 HB2 CYS A 85 6.961 -7.349 11.668 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.375 -6.409 13.025 1.00 0.00 H new ATOM 1163 N GLY A 86 4.667 -7.696 10.121 1.00 0.00 N ATOM 1164 CA GLY A 86 4.502 -8.107 8.738 1.00 0.00 C ATOM 1165 C GLY A 86 5.808 -8.051 7.966 1.00 0.00 C ATOM 1166 O GLY A 86 6.773 -7.439 8.421 1.00 0.00 O ATOM 0 H GLY A 86 4.555 -6.696 10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.106 -9.122 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.767 -7.463 8.254 1.00 0.00 H new ATOM 1170 N ILE A 87 5.846 -8.691 6.799 1.00 0.00 N ATOM 1171 CA ILE A 87 7.056 -8.701 5.985 1.00 0.00 C ATOM 1172 C ILE A 87 7.207 -7.403 5.201 1.00 0.00 C ATOM 1173 O ILE A 87 6.226 -6.766 4.825 1.00 0.00 O ATOM 1174 CB ILE A 87 7.094 -9.921 5.024 1.00 0.00 C ATOM 1175 CG1 ILE A 87 8.172 -10.910 5.471 1.00 0.00 C ATOM 1176 CG2 ILE A 87 7.348 -9.497 3.581 1.00 0.00 C ATOM 1177 CD1 ILE A 87 8.139 -11.225 6.950 1.00 0.00 C ATOM 0 H ILE A 87 5.060 -9.204 6.400 1.00 0.00 H new ATOM 0 HA ILE A 87 7.899 -8.788 6.671 1.00 0.00 H new ATOM 0 HB ILE A 87 6.117 -10.402 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.056 -11.837 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.151 -10.504 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.367 -10.379 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.553 -8.828 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.306 -8.981 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.933 -11.933 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.286 -10.308 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.174 -11.662 7.208 1.00 0.00 H new ATOM 1189 N LYS A 88 8.452 -7.021 4.965 1.00 0.00 N ATOM 1190 CA LYS A 88 8.756 -5.800 4.236 1.00 0.00 C ATOM 1191 C LYS A 88 8.163 -5.828 2.834 1.00 0.00 C ATOM 1192 O LYS A 88 7.765 -6.879 2.332 1.00 0.00 O ATOM 1193 CB LYS A 88 10.266 -5.593 4.172 1.00 0.00 C ATOM 1194 CG LYS A 88 10.947 -5.782 5.516 1.00 0.00 C ATOM 1195 CD LYS A 88 10.361 -4.862 6.577 1.00 0.00 C ATOM 1196 CE LYS A 88 9.288 -5.562 7.401 1.00 0.00 C ATOM 1197 NZ LYS A 88 9.686 -6.947 7.779 1.00 0.00 N ATOM 0 H LYS A 88 9.273 -7.543 5.270 1.00 0.00 H new ATOM 0 HA LYS A 88 8.303 -4.964 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.693 -6.292 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.474 -4.589 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.842 -6.819 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.014 -5.587 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.156 -4.514 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.935 -3.980 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.089 -4.983 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.359 -5.595 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.106 -7.268 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.540 -7.583 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.690 -6.958 8.051 1.00 0.00 H new ATOM 1211 N ASN A 89 8.115 -4.659 2.211 1.00 0.00 N ATOM 1212 CA ASN A 89 7.579 -4.523 0.865 1.00 0.00 C ATOM 1213 C ASN A 89 8.474 -5.224 -0.152 1.00 0.00 C ATOM 1214 O ASN A 89 8.095 -5.403 -1.307 1.00 0.00 O ATOM 1215 CB ASN A 89 7.438 -3.046 0.504 1.00 0.00 C ATOM 1216 CG ASN A 89 6.368 -2.800 -0.540 1.00 0.00 C ATOM 1217 OD1 ASN A 89 5.599 -1.734 -0.356 1.00 0.00 O flip ATOM 1218 ND2 ASN A 89 6.234 -3.559 -1.501 1.00 0.00 N flip ATOM 0 H ASN A 89 8.444 -3.785 2.621 1.00 0.00 H new ATOM 0 HA ASN A 89 6.597 -4.995 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.200 -2.477 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.393 -2.674 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.848 -4.367 -1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.509 -3.379 -2.195 1.00 0.00 H new