USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 280 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 33 THR OG1 : rot -175:sc= 0.984 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.253 USER MOD Single : A 6 SER OG : rot 70:sc= 0.395 USER MOD Single : A 13 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.1!) USER MOD Single : A 14 SER OG : rot 29:sc= 0.705 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.597 USER MOD Single : A 17 SER OG : rot 137:sc= -2.68 USER MOD Single : A 19 GLN : amide:sc=-0.00408 K(o=-0.0041,f=-2.3!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00485 USER MOD Single : A 26 ASN : amide:sc= -0.478! C(o=-0.48!,f=-9.7!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -31:sc= 0.13 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.791 2.386 -18.853 1.00 0.00 N ATOM 2 CA GLY A 1 -11.375 2.255 -18.560 1.00 0.00 C ATOM 3 C GLY A 1 -11.110 1.967 -17.096 1.00 0.00 C ATOM 4 O GLY A 1 -11.680 2.613 -16.216 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.919 2.582 -19.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.280 1.501 -18.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.190 3.168 -18.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.954 1.453 -19.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.862 3.173 -18.845 1.00 0.00 H new ATOM 8 N SER A 2 -10.245 0.993 -16.833 1.00 0.00 N ATOM 9 CA SER A 2 -9.910 0.617 -15.464 1.00 0.00 C ATOM 10 C SER A 2 -8.409 0.736 -15.220 1.00 0.00 C ATOM 11 O SER A 2 -7.633 0.956 -16.150 1.00 0.00 O ATOM 12 CB SER A 2 -10.373 -0.813 -15.178 1.00 0.00 C ATOM 13 OG SER A 2 -11.741 -0.842 -14.809 1.00 0.00 O ATOM 0 H SER A 2 -9.763 0.450 -17.549 1.00 0.00 H new ATOM 0 HA SER A 2 -10.425 1.300 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.218 -1.432 -16.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.768 -1.241 -14.379 1.00 0.00 H new ATOM 0 HG SER A 2 -12.013 -1.767 -14.633 1.00 0.00 H new ATOM 19 N SER A 3 -8.007 0.589 -13.962 1.00 0.00 N ATOM 20 CA SER A 3 -6.599 0.684 -13.593 1.00 0.00 C ATOM 21 C SER A 3 -6.002 -0.702 -13.366 1.00 0.00 C ATOM 22 O SER A 3 -6.542 -1.505 -12.606 1.00 0.00 O ATOM 23 CB SER A 3 -6.436 1.535 -12.332 1.00 0.00 C ATOM 24 OG SER A 3 -5.170 2.171 -12.306 1.00 0.00 O ATOM 0 H SER A 3 -8.636 0.404 -13.181 1.00 0.00 H new ATOM 0 HA SER A 3 -6.065 1.160 -14.415 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.225 2.286 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.549 0.907 -11.448 1.00 0.00 H new ATOM 0 HG SER A 3 -5.091 2.710 -11.491 1.00 0.00 H new ATOM 30 N GLY A 4 -4.884 -0.974 -14.031 1.00 0.00 N ATOM 31 CA GLY A 4 -4.232 -2.263 -13.890 1.00 0.00 C ATOM 32 C GLY A 4 -3.910 -2.594 -12.446 1.00 0.00 C ATOM 33 O GLY A 4 -4.660 -3.314 -11.785 1.00 0.00 O ATOM 0 H GLY A 4 -4.418 -0.325 -14.665 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.876 -3.040 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.312 -2.267 -14.475 1.00 0.00 H new ATOM 37 N SER A 5 -2.792 -2.070 -11.955 1.00 0.00 N ATOM 38 CA SER A 5 -2.370 -2.319 -10.581 1.00 0.00 C ATOM 39 C SER A 5 -1.728 -1.074 -9.976 1.00 0.00 C ATOM 40 O SER A 5 -0.782 -0.518 -10.533 1.00 0.00 O ATOM 41 CB SER A 5 -1.386 -3.490 -10.531 1.00 0.00 C ATOM 42 OG SER A 5 -0.167 -3.159 -11.174 1.00 0.00 O ATOM 0 H SER A 5 -2.162 -1.470 -12.488 1.00 0.00 H new ATOM 0 HA SER A 5 -3.254 -2.572 -9.996 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.192 -3.762 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.829 -4.362 -11.011 1.00 0.00 H new ATOM 0 HG SER A 5 0.047 -2.218 -11.005 1.00 0.00 H new ATOM 48 N SER A 6 -2.250 -0.643 -8.832 1.00 0.00 N ATOM 49 CA SER A 6 -1.732 0.538 -8.152 1.00 0.00 C ATOM 50 C SER A 6 -0.784 0.143 -7.024 1.00 0.00 C ATOM 51 O SER A 6 -0.824 0.715 -5.936 1.00 0.00 O ATOM 52 CB SER A 6 -2.883 1.379 -7.596 1.00 0.00 C ATOM 53 OG SER A 6 -3.465 0.759 -6.463 1.00 0.00 O ATOM 0 H SER A 6 -3.032 -1.094 -8.357 1.00 0.00 H new ATOM 0 HA SER A 6 -1.177 1.131 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.516 2.369 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.641 1.520 -8.367 1.00 0.00 H new ATOM 0 HG SER A 6 -2.840 0.802 -5.710 1.00 0.00 H new ATOM 59 N GLY A 7 0.069 -0.841 -7.293 1.00 0.00 N ATOM 60 CA GLY A 7 1.015 -1.298 -6.292 1.00 0.00 C ATOM 61 C GLY A 7 2.009 -0.222 -5.901 1.00 0.00 C ATOM 62 O GLY A 7 2.459 0.555 -6.745 1.00 0.00 O ATOM 0 H GLY A 7 0.122 -1.330 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.472 -1.626 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.554 -2.165 -6.675 1.00 0.00 H new ATOM 66 N LEU A 8 2.353 -0.174 -4.619 1.00 0.00 N ATOM 67 CA LEU A 8 3.300 0.815 -4.117 1.00 0.00 C ATOM 68 C LEU A 8 4.488 0.139 -3.440 1.00 0.00 C ATOM 69 O LEU A 8 4.386 -0.971 -2.917 1.00 0.00 O ATOM 70 CB LEU A 8 2.607 1.760 -3.133 1.00 0.00 C ATOM 71 CG LEU A 8 1.168 2.147 -3.475 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.559 2.978 -2.356 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.119 2.907 -4.792 1.00 0.00 C ATOM 0 H LEU A 8 1.990 -0.809 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 8 3.670 1.391 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.612 1.294 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.199 2.672 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 8 0.582 1.234 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.465 3.244 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.560 2.400 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.146 3.886 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.087 3.174 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.719 3.813 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.515 2.279 -5.590 1.00 0.00 H new ATOM 85 N PRO A 9 5.642 0.822 -3.446 1.00 0.00 N ATOM 86 CA PRO A 9 6.870 0.308 -2.834 1.00 0.00 C ATOM 87 C PRO A 9 6.788 0.270 -1.312 1.00 0.00 C ATOM 88 O PRO A 9 6.028 1.012 -0.689 1.00 0.00 O ATOM 89 CB PRO A 9 7.938 1.307 -3.288 1.00 0.00 C ATOM 90 CG PRO A 9 7.189 2.569 -3.548 1.00 0.00 C ATOM 91 CD PRO A 9 5.835 2.151 -4.052 1.00 0.00 C ATOM 0 HA PRO A 9 7.074 -0.720 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.699 1.449 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.450 0.959 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.100 3.164 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.706 3.185 -4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.058 2.850 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.808 2.104 -5.141 1.00 0.00 H new ATOM 99 N PRO A 10 7.588 -0.613 -0.697 1.00 0.00 N ATOM 100 CA PRO A 10 7.624 -0.767 0.760 1.00 0.00 C ATOM 101 C PRO A 10 8.254 0.435 1.455 1.00 0.00 C ATOM 102 O PRO A 10 9.464 0.472 1.678 1.00 0.00 O ATOM 103 CB PRO A 10 8.487 -2.015 0.963 1.00 0.00 C ATOM 104 CG PRO A 10 9.348 -2.082 -0.251 1.00 0.00 C ATOM 105 CD PRO A 10 8.519 -1.529 -1.377 1.00 0.00 C ATOM 0 HA PRO A 10 6.624 -0.849 1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.087 -1.938 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.872 -2.910 1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.260 -1.500 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.652 -3.108 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.134 -1.006 -2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.989 -2.318 -1.911 1.00 0.00 H new ATOM 113 N GLY A 11 7.425 1.417 1.795 1.00 0.00 N ATOM 114 CA GLY A 11 7.920 2.608 2.462 1.00 0.00 C ATOM 115 C GLY A 11 6.947 3.767 2.377 1.00 0.00 C ATOM 116 O GLY A 11 6.917 4.626 3.257 1.00 0.00 O ATOM 0 H GLY A 11 6.420 1.410 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.117 2.379 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.870 2.902 2.016 1.00 0.00 H new ATOM 120 N TRP A 12 6.152 3.792 1.313 1.00 0.00 N ATOM 121 CA TRP A 12 5.174 4.856 1.116 1.00 0.00 C ATOM 122 C TRP A 12 3.885 4.559 1.874 1.00 0.00 C ATOM 123 O TRP A 12 3.472 3.405 1.984 1.00 0.00 O ATOM 124 CB TRP A 12 4.875 5.031 -0.374 1.00 0.00 C ATOM 125 CG TRP A 12 5.882 5.883 -1.086 1.00 0.00 C ATOM 126 CD1 TRP A 12 7.142 5.517 -1.466 1.00 0.00 C ATOM 127 CD2 TRP A 12 5.714 7.242 -1.502 1.00 0.00 C ATOM 128 NE1 TRP A 12 7.767 6.568 -2.093 1.00 0.00 N ATOM 129 CE2 TRP A 12 6.912 7.638 -2.128 1.00 0.00 C ATOM 130 CE3 TRP A 12 4.667 8.164 -1.409 1.00 0.00 C ATOM 131 CZ2 TRP A 12 7.090 8.914 -2.656 1.00 0.00 C ATOM 132 CZ3 TRP A 12 4.846 9.430 -1.932 1.00 0.00 C ATOM 133 CH2 TRP A 12 6.049 9.795 -2.550 1.00 0.00 C ATOM 0 H TRP A 12 6.165 3.089 0.574 1.00 0.00 H new ATOM 0 HA TRP A 12 5.597 5.781 1.507 1.00 0.00 H new ATOM 0 HB2 TRP A 12 4.840 4.050 -0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.887 5.476 -0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.582 4.545 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.714 6.554 -2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.735 7.891 -0.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.017 9.198 -3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.045 10.151 -1.863 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.157 10.792 -2.951 1.00 0.00 H new ATOM 144 N GLN A 13 3.255 5.607 2.395 1.00 0.00 N ATOM 145 CA GLN A 13 2.013 5.457 3.144 1.00 0.00 C ATOM 146 C GLN A 13 0.816 5.890 2.305 1.00 0.00 C ATOM 147 O GLN A 13 0.926 6.780 1.461 1.00 0.00 O ATOM 148 CB GLN A 13 2.069 6.275 4.435 1.00 0.00 C ATOM 149 CG GLN A 13 3.116 5.783 5.422 1.00 0.00 C ATOM 150 CD GLN A 13 2.765 4.437 6.024 1.00 0.00 C ATOM 151 OE1 GLN A 13 1.917 3.713 5.501 1.00 0.00 O ATOM 152 NE2 GLN A 13 3.417 4.094 7.128 1.00 0.00 N ATOM 0 H GLN A 13 3.584 6.569 2.312 1.00 0.00 H new ATOM 0 HA GLN A 13 1.895 4.403 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.276 7.316 4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.090 6.250 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.079 5.711 4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.229 6.516 6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.112 4.725 7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.223 3.199 7.578 1.00 0.00 H new ATOM 161 N SER A 14 -0.328 5.256 2.543 1.00 0.00 N ATOM 162 CA SER A 14 -1.545 5.574 1.806 1.00 0.00 C ATOM 163 C SER A 14 -2.628 6.098 2.745 1.00 0.00 C ATOM 164 O SER A 14 -3.110 5.377 3.618 1.00 0.00 O ATOM 165 CB SER A 14 -2.054 4.337 1.063 1.00 0.00 C ATOM 166 OG SER A 14 -2.472 3.332 1.971 1.00 0.00 O ATOM 0 H SER A 14 -0.437 4.519 3.240 1.00 0.00 H new ATOM 0 HA SER A 14 -1.308 6.353 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.885 4.615 0.415 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.266 3.945 0.420 1.00 0.00 H new ATOM 0 HG SER A 14 -2.792 3.750 2.798 1.00 0.00 H new ATOM 172 N TYR A 15 -3.003 7.358 2.558 1.00 0.00 N ATOM 173 CA TYR A 15 -4.026 7.982 3.389 1.00 0.00 C ATOM 174 C TYR A 15 -5.171 8.516 2.534 1.00 0.00 C ATOM 175 O TYR A 15 -5.110 8.488 1.305 1.00 0.00 O ATOM 176 CB TYR A 15 -3.420 9.116 4.216 1.00 0.00 C ATOM 177 CG TYR A 15 -2.159 8.723 4.951 1.00 0.00 C ATOM 178 CD1 TYR A 15 -2.179 7.731 5.924 1.00 0.00 C ATOM 179 CD2 TYR A 15 -0.946 9.342 4.672 1.00 0.00 C ATOM 180 CE1 TYR A 15 -1.029 7.369 6.599 1.00 0.00 C ATOM 181 CE2 TYR A 15 0.209 8.985 5.341 1.00 0.00 C ATOM 182 CZ TYR A 15 0.162 7.999 6.303 1.00 0.00 C ATOM 183 OH TYR A 15 1.310 7.640 6.972 1.00 0.00 O ATOM 0 H TYR A 15 -2.614 7.968 1.839 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.423 7.223 4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.200 9.957 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.159 9.462 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.109 7.234 6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.906 10.115 3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.062 6.597 7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.143 9.476 5.111 1.00 0.00 H new ATOM 0 HH TYR A 15 1.257 6.696 7.230 1.00 0.00 H new ATOM 193 N LEU A 16 -6.216 9.004 3.195 1.00 0.00 N ATOM 194 CA LEU A 16 -7.377 9.546 2.497 1.00 0.00 C ATOM 195 C LEU A 16 -7.505 11.047 2.739 1.00 0.00 C ATOM 196 O LEU A 16 -7.309 11.525 3.856 1.00 0.00 O ATOM 197 CB LEU A 16 -8.651 8.834 2.955 1.00 0.00 C ATOM 198 CG LEU A 16 -8.850 7.412 2.429 1.00 0.00 C ATOM 199 CD1 LEU A 16 -10.012 6.737 3.141 1.00 0.00 C ATOM 200 CD2 LEU A 16 -9.081 7.427 0.925 1.00 0.00 C ATOM 0 H LEU A 16 -6.283 9.035 4.212 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.239 9.379 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.653 8.801 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.508 9.435 2.653 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.944 6.840 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.138 5.726 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.807 6.693 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.925 7.308 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.221 6.407 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.970 8.015 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.218 7.870 0.429 1.00 0.00 H new ATOM 212 N SER A 17 -7.838 11.785 1.685 1.00 0.00 N ATOM 213 CA SER A 17 -7.991 13.232 1.782 1.00 0.00 C ATOM 214 C SER A 17 -9.182 13.594 2.664 1.00 0.00 C ATOM 215 O SER A 17 -10.097 12.797 2.874 1.00 0.00 O ATOM 216 CB SER A 17 -8.168 13.842 0.390 1.00 0.00 C ATOM 217 OG SER A 17 -9.063 13.072 -0.394 1.00 0.00 O ATOM 0 H SER A 17 -8.007 11.405 0.754 1.00 0.00 H new ATOM 0 HA SER A 17 -7.088 13.639 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.544 14.861 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.201 13.902 -0.110 1.00 0.00 H new ATOM 0 HG SER A 17 -9.672 13.669 -0.876 1.00 0.00 H new ATOM 223 N PRO A 18 -9.172 14.826 3.194 1.00 0.00 N ATOM 224 CA PRO A 18 -10.244 15.323 4.062 1.00 0.00 C ATOM 225 C PRO A 18 -11.545 15.555 3.301 1.00 0.00 C ATOM 226 O PRO A 18 -12.463 16.199 3.807 1.00 0.00 O ATOM 227 CB PRO A 18 -9.688 16.649 4.587 1.00 0.00 C ATOM 228 CG PRO A 18 -8.711 17.088 3.551 1.00 0.00 C ATOM 229 CD PRO A 18 -8.114 15.829 2.986 1.00 0.00 C ATOM 0 HA PRO A 18 -10.497 14.610 4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.481 17.385 4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.206 16.520 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.203 17.670 2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.940 17.724 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.868 15.940 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.193 15.555 3.501 1.00 0.00 H new ATOM 237 N GLN A 19 -11.616 15.025 2.084 1.00 0.00 N ATOM 238 CA GLN A 19 -12.806 15.175 1.254 1.00 0.00 C ATOM 239 C GLN A 19 -13.366 13.814 0.855 1.00 0.00 C ATOM 240 O GLN A 19 -14.548 13.686 0.542 1.00 0.00 O ATOM 241 CB GLN A 19 -12.481 15.994 0.004 1.00 0.00 C ATOM 242 CG GLN A 19 -13.679 16.215 -0.906 1.00 0.00 C ATOM 243 CD GLN A 19 -14.532 17.390 -0.473 1.00 0.00 C ATOM 244 OE1 GLN A 19 -14.553 17.757 0.703 1.00 0.00 O ATOM 245 NE2 GLN A 19 -15.242 17.989 -1.422 1.00 0.00 N ATOM 0 H GLN A 19 -10.864 14.488 1.651 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.562 15.701 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.082 16.962 0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.696 15.488 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.330 16.380 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.291 15.313 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.195 17.652 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.834 18.786 -1.189 1.00 0.00 H new ATOM 254 N GLY A 20 -12.506 12.799 0.867 1.00 0.00 N ATOM 255 CA GLY A 20 -12.934 11.461 0.503 1.00 0.00 C ATOM 256 C GLY A 20 -12.002 10.806 -0.498 1.00 0.00 C ATOM 257 O GLY A 20 -11.979 9.582 -0.625 1.00 0.00 O ATOM 0 H GLY A 20 -11.522 12.880 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.990 10.844 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.939 11.506 0.084 1.00 0.00 H new ATOM 261 N ARG A 21 -11.234 11.623 -1.210 1.00 0.00 N ATOM 262 CA ARG A 21 -10.298 11.117 -2.207 1.00 0.00 C ATOM 263 C ARG A 21 -9.157 10.351 -1.542 1.00 0.00 C ATOM 264 O ARG A 21 -8.984 10.410 -0.325 1.00 0.00 O ATOM 265 CB ARG A 21 -9.735 12.268 -3.042 1.00 0.00 C ATOM 266 CG ARG A 21 -9.384 11.873 -4.467 1.00 0.00 C ATOM 267 CD ARG A 21 -10.583 11.287 -5.194 1.00 0.00 C ATOM 268 NE ARG A 21 -10.677 9.840 -5.017 1.00 0.00 N ATOM 269 CZ ARG A 21 -11.795 9.148 -5.206 1.00 0.00 C ATOM 270 NH1 ARG A 21 -12.908 9.766 -5.575 1.00 0.00 N ATOM 271 NH2 ARG A 21 -11.801 7.833 -5.025 1.00 0.00 N ATOM 0 H ARG A 21 -11.241 12.639 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.839 10.434 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.465 13.077 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.843 12.658 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.020 12.746 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.573 11.145 -4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.495 11.757 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.511 11.518 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.839 9.333 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.908 10.776 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.765 9.231 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.947 7.353 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.660 7.302 -5.170 1.00 0.00 H new ATOM 285 N ARG A 22 -8.383 9.634 -2.350 1.00 0.00 N ATOM 286 CA ARG A 22 -7.260 8.856 -1.840 1.00 0.00 C ATOM 287 C ARG A 22 -5.948 9.324 -2.461 1.00 0.00 C ATOM 288 O ARG A 22 -5.842 9.467 -3.679 1.00 0.00 O ATOM 289 CB ARG A 22 -7.471 7.368 -2.127 1.00 0.00 C ATOM 290 CG ARG A 22 -6.526 6.460 -1.358 1.00 0.00 C ATOM 291 CD ARG A 22 -6.682 5.008 -1.781 1.00 0.00 C ATOM 292 NE ARG A 22 -8.025 4.500 -1.513 1.00 0.00 N ATOM 293 CZ ARG A 22 -8.314 3.208 -1.403 1.00 0.00 C ATOM 294 NH1 ARG A 22 -7.359 2.298 -1.538 1.00 0.00 N ATOM 295 NH2 ARG A 22 -9.560 2.824 -1.158 1.00 0.00 N ATOM 0 H ARG A 22 -8.513 9.576 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.205 9.007 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.499 7.101 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.343 7.191 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.497 6.780 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.720 6.552 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.465 4.915 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.951 4.396 -1.252 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.783 5.174 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.400 2.589 -1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.584 1.307 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.297 3.521 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.781 1.832 -1.074 1.00 0.00 H new ATOM 309 N TYR A 23 -4.951 9.562 -1.616 1.00 0.00 N ATOM 310 CA TYR A 23 -3.646 10.017 -2.081 1.00 0.00 C ATOM 311 C TYR A 23 -2.529 9.447 -1.212 1.00 0.00 C ATOM 312 O TYR A 23 -2.778 8.922 -0.127 1.00 0.00 O ATOM 313 CB TYR A 23 -3.584 11.545 -2.075 1.00 0.00 C ATOM 314 CG TYR A 23 -3.412 12.139 -0.695 1.00 0.00 C ATOM 315 CD1 TYR A 23 -4.330 11.876 0.315 1.00 0.00 C ATOM 316 CD2 TYR A 23 -2.332 12.962 -0.400 1.00 0.00 C ATOM 317 CE1 TYR A 23 -4.177 12.416 1.577 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.171 13.506 0.859 1.00 0.00 C ATOM 319 CZ TYR A 23 -3.096 13.230 1.845 1.00 0.00 C ATOM 320 OH TYR A 23 -2.940 13.770 3.100 1.00 0.00 O ATOM 0 H TYR A 23 -5.022 9.447 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.506 9.659 -3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.757 11.869 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.498 11.939 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.177 11.239 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.606 13.180 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.900 12.202 2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.326 14.144 1.071 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.128 14.318 3.122 1.00 0.00 H new ATOM 330 N TYR A 24 -1.297 9.556 -1.698 1.00 0.00 N ATOM 331 CA TYR A 24 -0.141 9.051 -0.968 1.00 0.00 C ATOM 332 C TYR A 24 0.758 10.196 -0.512 1.00 0.00 C ATOM 333 O TYR A 24 0.788 11.261 -1.129 1.00 0.00 O ATOM 334 CB TYR A 24 0.655 8.079 -1.841 1.00 0.00 C ATOM 335 CG TYR A 24 -0.206 7.059 -2.550 1.00 0.00 C ATOM 336 CD1 TYR A 24 -1.281 6.460 -1.906 1.00 0.00 C ATOM 337 CD2 TYR A 24 0.057 6.692 -3.864 1.00 0.00 C ATOM 338 CE1 TYR A 24 -2.070 5.526 -2.549 1.00 0.00 C ATOM 339 CE2 TYR A 24 -0.728 5.760 -4.516 1.00 0.00 C ATOM 340 CZ TYR A 24 -1.790 5.180 -3.855 1.00 0.00 C ATOM 341 OH TYR A 24 -2.572 4.250 -4.500 1.00 0.00 O ATOM 0 H TYR A 24 -1.074 9.989 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.503 8.523 -0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.217 8.647 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.383 7.558 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.504 6.729 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.889 7.143 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.901 5.069 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.511 5.487 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.241 4.121 -5.413 1.00 0.00 H new ATOM 351 N VAL A 25 1.492 9.968 0.573 1.00 0.00 N ATOM 352 CA VAL A 25 2.394 10.978 1.112 1.00 0.00 C ATOM 353 C VAL A 25 3.647 10.339 1.699 1.00 0.00 C ATOM 354 O VAL A 25 3.564 9.464 2.560 1.00 0.00 O ATOM 355 CB VAL A 25 1.705 11.824 2.199 1.00 0.00 C ATOM 356 CG1 VAL A 25 2.678 12.833 2.788 1.00 0.00 C ATOM 357 CG2 VAL A 25 0.478 12.522 1.632 1.00 0.00 C ATOM 0 H VAL A 25 1.479 9.092 1.096 1.00 0.00 H new ATOM 0 HA VAL A 25 2.675 11.626 0.282 1.00 0.00 H new ATOM 0 HB VAL A 25 1.380 11.160 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.173 13.421 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.523 12.307 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.037 13.495 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.003 13.115 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.777 13.175 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.227 11.777 1.264 1.00 0.00 H new ATOM 367 N ASN A 26 4.808 10.783 1.228 1.00 0.00 N ATOM 368 CA ASN A 26 6.080 10.254 1.707 1.00 0.00 C ATOM 369 C ASN A 26 6.434 10.840 3.070 1.00 0.00 C ATOM 370 O ASN A 26 6.122 11.994 3.363 1.00 0.00 O ATOM 371 CB ASN A 26 7.193 10.559 0.703 1.00 0.00 C ATOM 372 CG ASN A 26 8.436 9.724 0.946 1.00 0.00 C ATOM 373 OD1 ASN A 26 9.452 10.227 1.425 1.00 0.00 O ATOM 374 ND2 ASN A 26 8.359 8.440 0.615 1.00 0.00 N ATOM 0 H ASN A 26 4.894 11.508 0.515 1.00 0.00 H new ATOM 0 HA ASN A 26 5.980 9.174 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.827 10.376 -0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.452 11.616 0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.163 7.828 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.496 8.066 0.221 1.00 0.00 H new ATOM 381 N THR A 27 7.089 10.036 3.902 1.00 0.00 N ATOM 382 CA THR A 27 7.486 10.473 5.234 1.00 0.00 C ATOM 383 C THR A 27 8.951 10.892 5.262 1.00 0.00 C ATOM 384 O THR A 27 9.317 11.868 5.919 1.00 0.00 O ATOM 385 CB THR A 27 7.261 9.364 6.280 1.00 0.00 C ATOM 386 OG1 THR A 27 7.901 8.155 5.857 1.00 0.00 O ATOM 387 CG2 THR A 27 5.776 9.112 6.490 1.00 0.00 C ATOM 0 H THR A 27 7.356 9.078 3.676 1.00 0.00 H new ATOM 0 HA THR A 27 6.861 11.330 5.484 1.00 0.00 H new ATOM 0 HB THR A 27 7.694 9.692 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.755 7.456 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.642 8.325 7.232 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.298 10.027 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.323 8.803 5.548 1.00 0.00 H new ATOM 395 N THR A 28 9.788 10.150 4.544 1.00 0.00 N ATOM 396 CA THR A 28 11.214 10.444 4.486 1.00 0.00 C ATOM 397 C THR A 28 11.464 11.852 3.958 1.00 0.00 C ATOM 398 O THR A 28 11.974 12.715 4.674 1.00 0.00 O ATOM 399 CB THR A 28 11.961 9.434 3.595 1.00 0.00 C ATOM 400 OG1 THR A 28 11.796 8.109 4.112 1.00 0.00 O ATOM 401 CG2 THR A 28 13.442 9.772 3.517 1.00 0.00 C ATOM 0 H THR A 28 9.502 9.340 3.994 1.00 0.00 H new ATOM 0 HA THR A 28 11.593 10.368 5.505 1.00 0.00 H new ATOM 0 HB THR A 28 11.539 9.488 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.272 7.473 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.948 9.045 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.566 10.770 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.875 9.744 4.517 1.00 0.00 H new ATOM 409 N THR A 29 11.101 12.081 2.699 1.00 0.00 N ATOM 410 CA THR A 29 11.286 13.384 2.075 1.00 0.00 C ATOM 411 C THR A 29 10.132 14.322 2.408 1.00 0.00 C ATOM 412 O THR A 29 10.204 15.524 2.155 1.00 0.00 O ATOM 413 CB THR A 29 11.408 13.262 0.544 1.00 0.00 C ATOM 414 OG1 THR A 29 11.941 14.473 -0.003 1.00 0.00 O ATOM 415 CG2 THR A 29 10.055 12.967 -0.084 1.00 0.00 C ATOM 0 H THR A 29 10.677 11.379 2.092 1.00 0.00 H new ATOM 0 HA THR A 29 12.213 13.796 2.474 1.00 0.00 H new ATOM 0 HB THR A 29 12.082 12.436 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.655 15.233 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.166 12.885 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.666 12.029 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.362 13.775 0.150 1.00 0.00 H new ATOM 423 N ASN A 30 9.068 13.765 2.977 1.00 0.00 N ATOM 424 CA ASN A 30 7.897 14.553 3.346 1.00 0.00 C ATOM 425 C ASN A 30 7.308 15.255 2.125 1.00 0.00 C ATOM 426 O ASN A 30 7.091 16.466 2.139 1.00 0.00 O ATOM 427 CB ASN A 30 8.267 15.586 4.412 1.00 0.00 C ATOM 428 CG ASN A 30 8.514 14.953 5.768 1.00 0.00 C ATOM 429 OD1 ASN A 30 9.659 14.723 6.158 1.00 0.00 O ATOM 430 ND2 ASN A 30 7.439 14.668 6.493 1.00 0.00 N ATOM 0 H ASN A 30 8.992 12.771 3.193 1.00 0.00 H new ATOM 0 HA ASN A 30 7.146 13.875 3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.161 16.125 4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.465 16.320 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.543 14.241 7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.509 14.876 6.130 1.00 0.00 H new ATOM 437 N GLU A 31 7.051 14.484 1.073 1.00 0.00 N ATOM 438 CA GLU A 31 6.488 15.032 -0.155 1.00 0.00 C ATOM 439 C GLU A 31 5.045 14.572 -0.344 1.00 0.00 C ATOM 440 O GLU A 31 4.637 13.536 0.183 1.00 0.00 O ATOM 441 CB GLU A 31 7.330 14.612 -1.361 1.00 0.00 C ATOM 442 CG GLU A 31 8.461 15.576 -1.679 1.00 0.00 C ATOM 443 CD GLU A 31 7.966 16.875 -2.286 1.00 0.00 C ATOM 444 OE1 GLU A 31 7.077 17.511 -1.681 1.00 0.00 O ATOM 445 OE2 GLU A 31 8.467 17.256 -3.364 1.00 0.00 O ATOM 0 H GLU A 31 7.224 13.479 1.047 1.00 0.00 H new ATOM 0 HA GLU A 31 6.498 16.119 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.748 13.623 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.682 14.525 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.015 15.794 -0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.157 15.099 -2.369 1.00 0.00 H new ATOM 452 N THR A 32 4.276 15.350 -1.099 1.00 0.00 N ATOM 453 CA THR A 32 2.879 15.025 -1.357 1.00 0.00 C ATOM 454 C THR A 32 2.668 14.620 -2.811 1.00 0.00 C ATOM 455 O THR A 32 3.209 15.242 -3.726 1.00 0.00 O ATOM 456 CB THR A 32 1.956 16.214 -1.028 1.00 0.00 C ATOM 457 OG1 THR A 32 2.278 16.742 0.263 1.00 0.00 O ATOM 458 CG2 THR A 32 0.495 15.789 -1.058 1.00 0.00 C ATOM 0 H THR A 32 4.598 16.210 -1.543 1.00 0.00 H new ATOM 0 HA THR A 32 2.625 14.186 -0.709 1.00 0.00 H new ATOM 0 HB THR A 32 2.110 16.985 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.688 17.498 0.464 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.138 16.645 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.245 15.415 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.330 15.002 -0.322 1.00 0.00 H new ATOM 466 N THR A 33 1.877 13.571 -3.020 1.00 0.00 N ATOM 467 CA THR A 33 1.595 13.082 -4.363 1.00 0.00 C ATOM 468 C THR A 33 0.134 12.669 -4.502 1.00 0.00 C ATOM 469 O THR A 33 -0.625 12.703 -3.534 1.00 0.00 O ATOM 470 CB THR A 33 2.492 11.884 -4.725 1.00 0.00 C ATOM 471 OG1 THR A 33 2.567 11.739 -6.147 1.00 0.00 O ATOM 472 CG2 THR A 33 1.956 10.601 -4.107 1.00 0.00 C ATOM 0 H THR A 33 1.421 13.044 -2.275 1.00 0.00 H new ATOM 0 HA THR A 33 1.805 13.903 -5.049 1.00 0.00 H new ATOM 0 HB THR A 33 3.489 12.072 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.079 10.933 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.606 9.768 -4.376 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.928 10.704 -3.022 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.949 10.411 -4.479 1.00 0.00 H new ATOM 480 N TRP A 34 -0.253 12.278 -5.711 1.00 0.00 N ATOM 481 CA TRP A 34 -1.624 11.857 -5.976 1.00 0.00 C ATOM 482 C TRP A 34 -1.671 10.395 -6.405 1.00 0.00 C ATOM 483 O TRP A 34 -1.304 10.058 -7.530 1.00 0.00 O ATOM 484 CB TRP A 34 -2.250 12.740 -7.057 1.00 0.00 C ATOM 485 CG TRP A 34 -2.743 14.056 -6.537 1.00 0.00 C ATOM 486 CD1 TRP A 34 -2.187 15.284 -6.756 1.00 0.00 C ATOM 487 CD2 TRP A 34 -3.891 14.275 -5.710 1.00 0.00 C ATOM 488 NE1 TRP A 34 -2.920 16.253 -6.115 1.00 0.00 N ATOM 489 CE2 TRP A 34 -3.971 15.661 -5.467 1.00 0.00 C ATOM 490 CE3 TRP A 34 -4.860 13.437 -5.153 1.00 0.00 C ATOM 491 CZ2 TRP A 34 -4.980 16.223 -4.690 1.00 0.00 C ATOM 492 CZ3 TRP A 34 -5.861 13.997 -4.382 1.00 0.00 C ATOM 493 CH2 TRP A 34 -5.916 15.379 -4.157 1.00 0.00 C ATOM 0 H TRP A 34 0.363 12.244 -6.523 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.196 11.964 -5.054 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.514 12.920 -7.840 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.081 12.205 -7.517 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.301 15.466 -7.346 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -2.715 17.252 -6.121 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -4.828 12.371 -5.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -5.023 17.288 -4.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.614 13.358 -3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.712 15.786 -3.551 1.00 0.00 H new ATOM 504 N GLU A 35 -2.125 9.532 -5.502 1.00 0.00 N ATOM 505 CA GLU A 35 -2.219 8.105 -5.789 1.00 0.00 C ATOM 506 C GLU A 35 -1.025 7.637 -6.616 1.00 0.00 C ATOM 507 O GLU A 35 -1.174 6.851 -7.552 1.00 0.00 O ATOM 508 CB GLU A 35 -3.520 7.797 -6.533 1.00 0.00 C ATOM 509 CG GLU A 35 -4.034 6.386 -6.300 1.00 0.00 C ATOM 510 CD GLU A 35 -5.417 6.165 -6.883 1.00 0.00 C ATOM 511 OE1 GLU A 35 -6.351 6.893 -6.488 1.00 0.00 O ATOM 512 OE2 GLU A 35 -5.563 5.264 -7.735 1.00 0.00 O ATOM 0 H GLU A 35 -2.433 9.795 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.215 7.568 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.284 8.509 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.362 7.946 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.339 5.672 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.059 6.185 -5.229 1.00 0.00 H new ATOM 519 N ARG A 36 0.160 8.126 -6.263 1.00 0.00 N ATOM 520 CA ARG A 36 1.380 7.759 -6.972 1.00 0.00 C ATOM 521 C ARG A 36 2.615 8.187 -6.185 1.00 0.00 C ATOM 522 O ARG A 36 2.971 9.365 -6.132 1.00 0.00 O ATOM 523 CB ARG A 36 1.399 8.400 -8.361 1.00 0.00 C ATOM 524 CG ARG A 36 0.500 7.701 -9.367 1.00 0.00 C ATOM 525 CD ARG A 36 1.061 7.795 -10.777 1.00 0.00 C ATOM 526 NE ARG A 36 0.879 9.126 -11.351 1.00 0.00 N ATOM 527 CZ ARG A 36 -0.257 9.539 -11.902 1.00 0.00 C ATOM 528 NH1 ARG A 36 -1.305 8.729 -11.954 1.00 0.00 N ATOM 529 NH2 ARG A 36 -0.345 10.764 -12.403 1.00 0.00 N ATOM 0 H ARG A 36 0.301 8.777 -5.491 1.00 0.00 H new ATOM 0 HA ARG A 36 1.397 6.674 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.092 9.442 -8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.422 8.399 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.387 6.653 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.494 8.147 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.123 7.549 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.572 7.056 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 36 1.667 9.773 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.240 7.786 -11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.176 9.049 -12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.460 11.389 -12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.218 11.081 -12.826 1.00 0.00 H new ATOM 543 N PRO A 37 3.286 7.209 -5.559 1.00 0.00 N ATOM 544 CA PRO A 37 4.492 7.460 -4.763 1.00 0.00 C ATOM 545 C PRO A 37 5.684 7.858 -5.627 1.00 0.00 C ATOM 546 O PRO A 37 6.419 7.002 -6.118 1.00 0.00 O ATOM 547 CB PRO A 37 4.752 6.115 -4.080 1.00 0.00 C ATOM 548 CG PRO A 37 4.119 5.107 -4.975 1.00 0.00 C ATOM 549 CD PRO A 37 2.919 5.783 -5.578 1.00 0.00 C ATOM 0 HA PRO A 37 4.356 8.288 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.820 5.929 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.316 6.087 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.814 4.782 -5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.826 4.218 -4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.726 5.431 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.016 5.592 -4.997 1.00 0.00 H new ATOM 557 N SER A 38 5.869 9.161 -5.809 1.00 0.00 N ATOM 558 CA SER A 38 6.970 9.672 -6.617 1.00 0.00 C ATOM 559 C SER A 38 8.204 8.787 -6.475 1.00 0.00 C ATOM 560 O SER A 38 8.521 8.315 -5.383 1.00 0.00 O ATOM 561 CB SER A 38 7.308 11.107 -6.208 1.00 0.00 C ATOM 562 OG SER A 38 6.173 11.949 -6.316 1.00 0.00 O ATOM 0 H SER A 38 5.270 9.883 -5.408 1.00 0.00 H new ATOM 0 HA SER A 38 6.656 9.664 -7.661 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.677 11.119 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.110 11.489 -6.840 1.00 0.00 H new ATOM 0 HG SER A 38 6.415 12.860 -6.047 1.00 0.00 H new ATOM 568 N SER A 39 8.897 8.566 -7.587 1.00 0.00 N ATOM 569 CA SER A 39 10.095 7.734 -7.588 1.00 0.00 C ATOM 570 C SER A 39 10.779 7.768 -8.952 1.00 0.00 C ATOM 571 O SER A 39 10.123 7.913 -9.984 1.00 0.00 O ATOM 572 CB SER A 39 9.741 6.292 -7.219 1.00 0.00 C ATOM 573 OG SER A 39 8.895 5.709 -8.194 1.00 0.00 O ATOM 0 H SER A 39 8.650 8.951 -8.499 1.00 0.00 H new ATOM 0 HA SER A 39 10.785 8.133 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.653 5.703 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.248 6.273 -6.247 1.00 0.00 H new ATOM 0 HG SER A 39 8.685 4.787 -7.936 1.00 0.00 H new ATOM 579 N SER A 40 12.101 7.634 -8.948 1.00 0.00 N ATOM 580 CA SER A 40 12.875 7.654 -10.183 1.00 0.00 C ATOM 581 C SER A 40 14.130 6.796 -10.051 1.00 0.00 C ATOM 582 O SER A 40 14.731 6.718 -8.981 1.00 0.00 O ATOM 583 CB SER A 40 13.261 9.089 -10.545 1.00 0.00 C ATOM 584 OG SER A 40 13.496 9.218 -11.937 1.00 0.00 O ATOM 0 H SER A 40 12.659 7.510 -8.103 1.00 0.00 H new ATOM 0 HA SER A 40 12.255 7.241 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.466 9.770 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.156 9.379 -9.994 1.00 0.00 H new ATOM 0 HG SER A 40 13.739 10.145 -12.143 1.00 0.00 H new TER 590 SER A 40