USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 240 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 26 ASN : amide:sc= 0.426 X(o=0.9,f=0.44) USER MOD Set 1.2: A 28 SER OG : rot -159:sc= 0.477 USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= 0.663 (180deg=0.0312) USER MOD Single : A 15 ASN : amide:sc= -0.84 K(o=-0.84,f=-0.28) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -31:sc= 1.27 USER MOD Single : A 23 ASN : amide:sc= 2.4 K(o=2.4,f=-8.4!) USER MOD Single : A 24 HIS : no HD1:sc= 0.936 K(o=0.94,f=-4.6!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 56:sc= 0.0782 USER MOD Single : A 30 GLN : amide:sc= -1.97 K(o=-2,f=-0.17) USER MOD Single : A 32 HIS : no HD1:sc= -0.991 K(o=-0.99,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -6.735 -10.606 -9.684 1.00 0.00 N ATOM 50 CA LEU A 5 -6.591 -10.305 -8.274 1.00 0.00 C ATOM 51 C LEU A 5 -7.015 -11.495 -7.425 1.00 0.00 C ATOM 52 O LEU A 5 -8.185 -11.878 -7.422 1.00 0.00 O ATOM 53 CB LEU A 5 -7.412 -9.076 -7.893 1.00 0.00 C ATOM 54 CG LEU A 5 -6.840 -8.278 -6.726 1.00 0.00 C ATOM 55 CD1 LEU A 5 -5.417 -7.851 -7.039 1.00 0.00 C ATOM 56 CD2 LEU A 5 -7.708 -7.068 -6.422 1.00 0.00 C ATOM 0 HA LEU A 5 -5.539 -10.093 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.491 -8.422 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.424 -9.393 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.830 -8.914 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.015 -7.282 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.801 -8.734 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.412 -7.230 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.280 -6.514 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.753 -6.423 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.714 -7.398 -6.162 1.00 0.00 H new ATOM 68 N PRO A 6 -6.062 -12.098 -6.704 1.00 0.00 N ATOM 69 CA PRO A 6 -6.333 -13.235 -5.817 1.00 0.00 C ATOM 70 C PRO A 6 -7.238 -12.859 -4.642 1.00 0.00 C ATOM 71 O PRO A 6 -7.328 -11.689 -4.259 1.00 0.00 O ATOM 72 CB PRO A 6 -4.941 -13.644 -5.313 1.00 0.00 C ATOM 73 CG PRO A 6 -3.980 -13.005 -6.258 1.00 0.00 C ATOM 74 CD PRO A 6 -4.637 -11.735 -6.706 1.00 0.00 C ATOM 0 HA PRO A 6 -6.862 -14.034 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.776 -13.301 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.827 -14.728 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.027 -12.802 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.771 -13.658 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.428 -10.908 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.297 -11.429 -7.695 1.00 0.00 H new ATOM 82 N PRO A 7 -7.926 -13.854 -4.056 1.00 0.00 N ATOM 83 CA PRO A 7 -8.837 -13.639 -2.928 1.00 0.00 C ATOM 84 C PRO A 7 -8.098 -13.160 -1.682 1.00 0.00 C ATOM 85 O PRO A 7 -7.196 -13.838 -1.182 1.00 0.00 O ATOM 86 CB PRO A 7 -9.457 -15.025 -2.687 1.00 0.00 C ATOM 87 CG PRO A 7 -9.171 -15.806 -3.926 1.00 0.00 C ATOM 88 CD PRO A 7 -7.874 -15.269 -4.452 1.00 0.00 C ATOM 0 HA PRO A 7 -9.576 -12.867 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.020 -15.504 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.530 -14.950 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.095 -16.871 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.970 -15.686 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.017 -15.781 -4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.797 -15.384 -5.533 1.00 0.00 H new ATOM 96 N GLY A 8 -8.484 -11.992 -1.186 1.00 0.00 N ATOM 97 CA GLY A 8 -7.819 -11.413 -0.035 1.00 0.00 C ATOM 98 C GLY A 8 -7.145 -10.096 -0.369 1.00 0.00 C ATOM 99 O GLY A 8 -6.762 -9.349 0.523 1.00 0.00 O ATOM 0 H GLY A 8 -9.250 -11.433 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.546 -11.256 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.076 -12.114 0.345 1.00 0.00 H new ATOM 103 N TRP A 9 -7.003 -9.809 -1.653 1.00 0.00 N ATOM 104 CA TRP A 9 -6.380 -8.567 -2.085 1.00 0.00 C ATOM 105 C TRP A 9 -7.416 -7.454 -2.185 1.00 0.00 C ATOM 106 O TRP A 9 -8.341 -7.521 -2.996 1.00 0.00 O ATOM 107 CB TRP A 9 -5.674 -8.771 -3.424 1.00 0.00 C ATOM 108 CG TRP A 9 -4.373 -9.498 -3.290 1.00 0.00 C ATOM 109 CD1 TRP A 9 -4.178 -10.848 -3.328 1.00 0.00 C ATOM 110 CD2 TRP A 9 -3.086 -8.910 -3.087 1.00 0.00 C ATOM 111 NE1 TRP A 9 -2.844 -11.136 -3.160 1.00 0.00 N ATOM 112 CE2 TRP A 9 -2.152 -9.960 -3.009 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.631 -7.597 -2.962 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.790 -9.730 -2.814 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.286 -7.377 -2.770 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.377 -8.434 -2.696 1.00 0.00 C ATOM 0 H TRP A 9 -7.309 -10.417 -2.413 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.638 -8.272 -1.343 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.329 -9.329 -4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.496 -7.800 -3.887 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -4.957 -11.582 -3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.435 -12.071 -3.149 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.322 -6.768 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.087 -10.548 -2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.926 -6.363 -2.674 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.671 -8.223 -2.543 1.00 0.00 H new ATOM 127 N GLU A 10 -7.252 -6.437 -1.352 1.00 0.00 N ATOM 128 CA GLU A 10 -8.219 -5.354 -1.254 1.00 0.00 C ATOM 129 C GLU A 10 -7.646 -4.049 -1.809 1.00 0.00 C ATOM 130 O GLU A 10 -6.485 -3.715 -1.563 1.00 0.00 O ATOM 131 CB GLU A 10 -8.630 -5.170 0.211 1.00 0.00 C ATOM 132 CG GLU A 10 -9.846 -4.280 0.417 1.00 0.00 C ATOM 133 CD GLU A 10 -9.924 -3.718 1.825 1.00 0.00 C ATOM 134 OE1 GLU A 10 -8.951 -3.863 2.589 1.00 0.00 O ATOM 135 OE2 GLU A 10 -10.969 -3.129 2.180 1.00 0.00 O ATOM 0 H GLU A 10 -6.450 -6.339 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.094 -5.614 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.835 -6.149 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.789 -4.748 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.815 -3.458 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.750 -4.851 0.207 1.00 0.00 H new ATOM 142 N GLU A 11 -8.467 -3.325 -2.560 1.00 0.00 N ATOM 143 CA GLU A 11 -8.080 -2.033 -3.116 1.00 0.00 C ATOM 144 C GLU A 11 -8.316 -0.928 -2.094 1.00 0.00 C ATOM 145 O GLU A 11 -9.459 -0.571 -1.798 1.00 0.00 O ATOM 146 CB GLU A 11 -8.889 -1.746 -4.378 1.00 0.00 C ATOM 147 CG GLU A 11 -8.148 -0.928 -5.418 1.00 0.00 C ATOM 148 CD GLU A 11 -8.745 -1.078 -6.803 1.00 0.00 C ATOM 149 OE1 GLU A 11 -9.880 -1.583 -6.914 1.00 0.00 O ATOM 150 OE2 GLU A 11 -8.080 -0.693 -7.787 1.00 0.00 O ATOM 0 H GLU A 11 -9.415 -3.614 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.020 -2.064 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.192 -2.693 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.801 -1.218 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.165 0.123 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.102 -1.235 -5.441 1.00 0.00 H new ATOM 157 N LYS A 12 -7.241 -0.397 -1.550 1.00 0.00 N ATOM 158 CA LYS A 12 -7.334 0.637 -0.533 1.00 0.00 C ATOM 159 C LYS A 12 -6.385 1.786 -0.841 1.00 0.00 C ATOM 160 O LYS A 12 -5.209 1.561 -1.092 1.00 0.00 O ATOM 161 CB LYS A 12 -6.999 0.053 0.841 1.00 0.00 C ATOM 162 CG LYS A 12 -8.215 -0.188 1.721 1.00 0.00 C ATOM 163 CD LYS A 12 -7.869 -0.037 3.193 1.00 0.00 C ATOM 164 CE LYS A 12 -8.548 -1.102 4.041 1.00 0.00 C ATOM 165 NZ LYS A 12 -10.023 -1.110 3.849 1.00 0.00 N ATOM 0 H LYS A 12 -6.287 -0.664 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.355 1.018 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.469 -0.890 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.318 0.730 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.004 0.516 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.607 -1.189 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.789 -0.103 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.172 0.951 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.144 -2.081 3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.320 -0.928 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.483 -1.476 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.354 -0.141 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.265 -1.718 3.040 1.00 0.00 H new ATOM 179 N VAL A 13 -6.887 3.014 -0.836 1.00 0.00 N ATOM 180 CA VAL A 13 -6.007 4.168 -0.958 1.00 0.00 C ATOM 181 C VAL A 13 -5.357 4.466 0.377 1.00 0.00 C ATOM 182 O VAL A 13 -5.967 4.283 1.433 1.00 0.00 O ATOM 183 CB VAL A 13 -6.719 5.467 -1.410 1.00 0.00 C ATOM 184 CG1 VAL A 13 -6.657 5.650 -2.913 1.00 0.00 C ATOM 185 CG2 VAL A 13 -8.149 5.524 -0.917 1.00 0.00 C ATOM 0 H VAL A 13 -7.879 3.235 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.284 3.891 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.178 6.296 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.168 6.573 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.616 5.703 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.143 4.806 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.614 6.450 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.704 4.674 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.160 5.489 0.172 1.00 0.00 H new ATOM 195 N ASP A 14 -4.117 4.901 0.333 1.00 0.00 N ATOM 196 CA ASP A 14 -3.493 5.472 1.507 1.00 0.00 C ATOM 197 C ASP A 14 -4.097 6.846 1.764 1.00 0.00 C ATOM 198 O ASP A 14 -4.789 7.387 0.899 1.00 0.00 O ATOM 199 CB ASP A 14 -1.981 5.583 1.322 1.00 0.00 C ATOM 200 CG ASP A 14 -1.234 5.440 2.632 1.00 0.00 C ATOM 201 OD1 ASP A 14 -1.759 5.883 3.672 1.00 0.00 O ATOM 202 OD2 ASP A 14 -0.122 4.883 2.636 1.00 0.00 O ATOM 0 H ASP A 14 -3.524 4.871 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.675 4.822 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.644 4.814 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.741 6.546 0.872 1.00 0.00 H new ATOM 207 N ASN A 15 -3.816 7.418 2.924 1.00 0.00 N ATOM 208 CA ASN A 15 -4.376 8.715 3.304 1.00 0.00 C ATOM 209 C ASN A 15 -4.000 9.795 2.288 1.00 0.00 C ATOM 210 O ASN A 15 -4.673 10.818 2.173 1.00 0.00 O ATOM 211 CB ASN A 15 -3.907 9.098 4.718 1.00 0.00 C ATOM 212 CG ASN A 15 -3.243 10.465 4.800 1.00 0.00 C ATOM 213 OD1 ASN A 15 -3.915 11.495 4.864 1.00 0.00 O ATOM 214 ND2 ASN A 15 -1.919 10.481 4.812 1.00 0.00 N ATOM 0 H ASN A 15 -3.201 7.006 3.625 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.463 8.635 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.764 9.081 5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.206 8.343 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.420 11.368 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.398 9.606 4.757 1.00 0.00 H new ATOM 221 N LEU A 16 -2.940 9.542 1.529 1.00 0.00 N ATOM 222 CA LEU A 16 -2.451 10.502 0.550 1.00 0.00 C ATOM 223 C LEU A 16 -3.046 10.260 -0.840 1.00 0.00 C ATOM 224 O LEU A 16 -2.663 10.925 -1.803 1.00 0.00 O ATOM 225 CB LEU A 16 -0.922 10.444 0.478 1.00 0.00 C ATOM 226 CG LEU A 16 -0.204 10.627 1.817 1.00 0.00 C ATOM 227 CD1 LEU A 16 0.956 9.652 1.939 1.00 0.00 C ATOM 228 CD2 LEU A 16 0.282 12.060 1.969 1.00 0.00 C ATOM 0 H LEU A 16 -2.402 8.677 1.574 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.768 11.492 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.629 9.483 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.576 11.215 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.912 10.418 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.454 9.797 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.581 8.631 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.666 9.828 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.790 12.172 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.974 12.297 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.570 12.739 1.928 1.00 0.00 H new ATOM 240 N GLY A 17 -3.976 9.315 -0.958 1.00 0.00 N ATOM 241 CA GLY A 17 -4.586 9.052 -2.243 1.00 0.00 C ATOM 242 C GLY A 17 -3.731 8.158 -3.119 1.00 0.00 C ATOM 243 O GLY A 17 -3.510 8.455 -4.290 1.00 0.00 O ATOM 0 H GLY A 17 -4.313 8.733 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.558 8.584 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.764 9.996 -2.757 1.00 0.00 H new ATOM 247 N ARG A 18 -3.241 7.066 -2.547 1.00 0.00 N ATOM 248 CA ARG A 18 -2.473 6.086 -3.312 1.00 0.00 C ATOM 249 C ARG A 18 -3.170 4.747 -3.224 1.00 0.00 C ATOM 250 O ARG A 18 -3.062 4.052 -2.214 1.00 0.00 O ATOM 251 CB ARG A 18 -1.016 5.953 -2.822 1.00 0.00 C ATOM 252 CG ARG A 18 -0.568 7.057 -1.877 1.00 0.00 C ATOM 253 CD ARG A 18 0.947 7.170 -1.832 1.00 0.00 C ATOM 254 NE ARG A 18 1.424 8.391 -2.474 1.00 0.00 N ATOM 255 CZ ARG A 18 2.364 9.189 -1.967 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.983 8.869 -0.838 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.696 10.302 -2.607 1.00 0.00 N ATOM 0 H ARG A 18 -3.360 6.835 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.425 6.432 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.901 4.992 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.354 5.942 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.996 8.007 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.949 6.857 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.281 7.152 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.390 6.305 -2.325 1.00 0.00 H new ATOM 0 HE ARG A 18 1.011 8.651 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.741 8.006 -0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.701 9.486 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.233 10.544 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.415 10.916 -2.223 1.00 0.00 H new ATOM 271 N THR A 19 -3.932 4.422 -4.253 1.00 0.00 N ATOM 272 CA THR A 19 -4.663 3.175 -4.300 1.00 0.00 C ATOM 273 C THR A 19 -3.714 1.989 -4.326 1.00 0.00 C ATOM 274 O THR A 19 -3.151 1.651 -5.368 1.00 0.00 O ATOM 275 CB THR A 19 -5.582 3.129 -5.532 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.672 4.440 -6.119 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.970 2.632 -5.152 1.00 0.00 C ATOM 0 H THR A 19 -4.059 5.014 -5.074 1.00 0.00 H new ATOM 0 HA THR A 19 -5.274 3.116 -3.399 1.00 0.00 H new ATOM 0 HB THR A 19 -5.157 2.436 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.257 4.407 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.603 2.608 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.895 1.629 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.407 3.303 -4.413 1.00 0.00 H new ATOM 285 N TYR A 20 -3.519 1.373 -3.174 1.00 0.00 N ATOM 286 CA TYR A 20 -2.673 0.210 -3.088 1.00 0.00 C ATOM 287 C TYR A 20 -3.507 -1.037 -2.913 1.00 0.00 C ATOM 288 O TYR A 20 -4.723 -0.969 -2.708 1.00 0.00 O ATOM 289 CB TYR A 20 -1.646 0.325 -1.953 1.00 0.00 C ATOM 290 CG TYR A 20 -2.249 0.503 -0.577 1.00 0.00 C ATOM 291 CD1 TYR A 20 -2.709 -0.589 0.144 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.357 1.760 -0.002 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.262 -0.431 1.397 1.00 0.00 C ATOM 294 CE2 TYR A 20 -2.907 1.926 1.251 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.360 0.830 1.947 1.00 0.00 C ATOM 296 OH TYR A 20 -3.910 0.995 3.196 1.00 0.00 O ATOM 0 H TYR A 20 -3.937 1.663 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.119 0.143 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.024 -0.570 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.988 1.169 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.633 -1.578 -0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.004 2.624 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.617 -1.291 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.982 2.912 1.684 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.902 1.946 3.434 1.00 0.00 H new ATOM 306 N TYR A 21 -2.847 -2.170 -2.995 1.00 0.00 N ATOM 307 CA TYR A 21 -3.516 -3.444 -2.910 1.00 0.00 C ATOM 308 C TYR A 21 -3.025 -4.165 -1.673 1.00 0.00 C ATOM 309 O TYR A 21 -1.869 -4.588 -1.606 1.00 0.00 O ATOM 310 CB TYR A 21 -3.261 -4.271 -4.179 1.00 0.00 C ATOM 311 CG TYR A 21 -4.057 -3.798 -5.384 1.00 0.00 C ATOM 312 CD1 TYR A 21 -4.375 -2.457 -5.560 1.00 0.00 C ATOM 313 CD2 TYR A 21 -4.523 -4.703 -6.323 1.00 0.00 C ATOM 314 CE1 TYR A 21 -5.127 -2.034 -6.636 1.00 0.00 C ATOM 315 CE2 TYR A 21 -5.287 -4.289 -7.398 1.00 0.00 C ATOM 316 CZ TYR A 21 -5.585 -2.954 -7.549 1.00 0.00 C ATOM 317 OH TYR A 21 -6.351 -2.538 -8.612 1.00 0.00 O ATOM 0 H TYR A 21 -1.837 -2.232 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.593 -3.296 -2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.198 -4.234 -4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.507 -5.314 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.026 -1.731 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.285 -5.751 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.355 -0.986 -6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.648 -5.010 -8.116 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.875 -1.752 -8.350 1.00 0.00 H new ATOM 327 N VAL A 22 -3.891 -4.256 -0.681 1.00 0.00 N ATOM 328 CA VAL A 22 -3.528 -4.867 0.582 1.00 0.00 C ATOM 329 C VAL A 22 -3.937 -6.329 0.604 1.00 0.00 C ATOM 330 O VAL A 22 -5.121 -6.666 0.557 1.00 0.00 O ATOM 331 CB VAL A 22 -4.146 -4.117 1.791 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.616 -3.804 1.559 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.961 -4.908 3.077 1.00 0.00 C ATOM 0 H VAL A 22 -4.851 -3.914 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.444 -4.799 0.674 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.616 -3.170 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.017 -3.278 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.719 -3.176 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.167 -4.733 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.403 -4.359 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.450 -5.878 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.897 -5.055 3.264 1.00 0.00 H new ATOM 343 N ASN A 23 -2.941 -7.197 0.632 1.00 0.00 N ATOM 344 CA ASN A 23 -3.180 -8.617 0.792 1.00 0.00 C ATOM 345 C ASN A 23 -3.654 -8.873 2.218 1.00 0.00 C ATOM 346 O ASN A 23 -2.903 -8.679 3.155 1.00 0.00 O ATOM 347 CB ASN A 23 -1.903 -9.412 0.504 1.00 0.00 C ATOM 348 CG ASN A 23 -2.059 -10.889 0.813 1.00 0.00 C ATOM 349 OD1 ASN A 23 -1.791 -11.327 1.928 1.00 0.00 O ATOM 350 ND2 ASN A 23 -2.496 -11.664 -0.166 1.00 0.00 N ATOM 0 H ASN A 23 -1.958 -6.941 0.546 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.943 -8.942 0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.631 -9.290 -0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.083 -9.004 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.621 -12.664 -0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.708 -11.262 -1.079 1.00 0.00 H new ATOM 357 N HIS A 24 -4.896 -9.292 2.385 1.00 0.00 N ATOM 358 CA HIS A 24 -5.489 -9.416 3.718 1.00 0.00 C ATOM 359 C HIS A 24 -4.962 -10.621 4.490 1.00 0.00 C ATOM 360 O HIS A 24 -5.453 -10.926 5.577 1.00 0.00 O ATOM 361 CB HIS A 24 -7.011 -9.509 3.614 1.00 0.00 C ATOM 362 CG HIS A 24 -7.697 -8.192 3.779 1.00 0.00 C ATOM 363 ND1 HIS A 24 -8.918 -8.053 4.386 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.318 -6.949 3.403 1.00 0.00 C ATOM 365 CE1 HIS A 24 -9.270 -6.783 4.376 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.316 -6.087 3.784 1.00 0.00 N ATOM 0 H HIS A 24 -5.518 -9.553 1.620 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.202 -8.521 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.277 -9.930 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.378 -10.200 4.373 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.401 -6.684 2.897 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.185 -6.379 4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.320 -5.078 3.635 1.00 0.00 H new ATOM 375 N ASN A 25 -3.964 -11.298 3.948 1.00 0.00 N ATOM 376 CA ASN A 25 -3.438 -12.493 4.587 1.00 0.00 C ATOM 377 C ASN A 25 -2.118 -12.172 5.286 1.00 0.00 C ATOM 378 O ASN A 25 -2.003 -12.286 6.505 1.00 0.00 O ATOM 379 CB ASN A 25 -3.250 -13.599 3.549 1.00 0.00 C ATOM 380 CG ASN A 25 -4.158 -14.780 3.812 1.00 0.00 C ATOM 381 OD1 ASN A 25 -3.964 -15.537 4.762 1.00 0.00 O ATOM 382 ND2 ASN A 25 -5.167 -14.934 2.964 1.00 0.00 N ATOM 0 H ASN A 25 -3.504 -11.044 3.074 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.147 -12.843 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.451 -13.201 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.212 -13.931 3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.822 -15.706 3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.287 -14.280 2.190 1.00 0.00 H new ATOM 389 N ASN A 26 -1.138 -11.743 4.502 1.00 0.00 N ATOM 390 CA ASN A 26 0.164 -11.333 5.031 1.00 0.00 C ATOM 391 C ASN A 26 0.153 -9.837 5.350 1.00 0.00 C ATOM 392 O ASN A 26 1.040 -9.318 6.034 1.00 0.00 O ATOM 393 CB ASN A 26 1.261 -11.651 4.007 1.00 0.00 C ATOM 394 CG ASN A 26 2.652 -11.298 4.499 1.00 0.00 C ATOM 395 OD1 ASN A 26 3.158 -11.898 5.446 1.00 0.00 O ATOM 396 ND2 ASN A 26 3.282 -10.326 3.859 1.00 0.00 N ATOM 0 H ASN A 26 -1.218 -11.668 3.488 1.00 0.00 H new ATOM 0 HA ASN A 26 0.367 -11.883 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.226 -12.713 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.059 -11.106 3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.221 -10.051 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.829 -9.852 3.078 1.00 0.00 H new ATOM 403 N ARG A 27 -0.881 -9.169 4.848 1.00 0.00 N ATOM 404 CA ARG A 27 -1.080 -7.727 5.006 1.00 0.00 C ATOM 405 C ARG A 27 0.027 -6.933 4.322 1.00 0.00 C ATOM 406 O ARG A 27 0.609 -6.014 4.901 1.00 0.00 O ATOM 407 CB ARG A 27 -1.227 -7.322 6.475 1.00 0.00 C ATOM 408 CG ARG A 27 -2.326 -8.077 7.208 1.00 0.00 C ATOM 409 CD ARG A 27 -2.904 -7.259 8.356 1.00 0.00 C ATOM 410 NE ARG A 27 -3.049 -5.840 8.020 1.00 0.00 N ATOM 411 CZ ARG A 27 -4.168 -5.292 7.539 1.00 0.00 C ATOM 412 NH1 ARG A 27 -5.230 -6.053 7.295 1.00 0.00 N ATOM 413 NH2 ARG A 27 -4.225 -3.987 7.303 1.00 0.00 N ATOM 0 H ARG A 27 -1.620 -9.621 4.309 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.020 -7.482 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.279 -7.490 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.433 -6.253 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.121 -8.333 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.927 -9.015 7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.877 -7.664 8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.258 -7.358 9.229 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.243 -5.231 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.191 -7.056 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.084 -5.634 6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.412 -3.399 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.081 -3.572 6.936 1.00 0.00 H new ATOM 427 N SER A 28 0.316 -7.308 3.086 1.00 0.00 N ATOM 428 CA SER A 28 1.239 -6.564 2.252 1.00 0.00 C ATOM 429 C SER A 28 0.486 -5.447 1.527 1.00 0.00 C ATOM 430 O SER A 28 -0.525 -5.696 0.870 1.00 0.00 O ATOM 431 CB SER A 28 1.898 -7.514 1.255 1.00 0.00 C ATOM 432 OG SER A 28 1.759 -8.863 1.686 1.00 0.00 O ATOM 0 H SER A 28 -0.082 -8.133 2.637 1.00 0.00 H new ATOM 0 HA SER A 28 2.017 -6.112 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.444 -7.391 0.272 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.954 -7.266 1.151 1.00 0.00 H new ATOM 0 HG SER A 28 2.440 -9.417 1.251 1.00 0.00 H new ATOM 438 N THR A 29 0.970 -4.221 1.664 1.00 0.00 N ATOM 439 CA THR A 29 0.281 -3.056 1.122 1.00 0.00 C ATOM 440 C THR A 29 1.090 -2.403 0.000 1.00 0.00 C ATOM 441 O THR A 29 1.711 -1.351 0.187 1.00 0.00 O ATOM 442 CB THR A 29 0.011 -2.019 2.238 1.00 0.00 C ATOM 443 OG1 THR A 29 1.202 -1.800 3.013 1.00 0.00 O ATOM 444 CG2 THR A 29 -1.106 -2.490 3.159 1.00 0.00 C ATOM 0 H THR A 29 1.842 -4.005 2.148 1.00 0.00 H new ATOM 0 HA THR A 29 -0.668 -3.398 0.709 1.00 0.00 H new ATOM 0 HB THR A 29 -0.292 -1.087 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.934 -1.530 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.277 -1.744 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.020 -2.628 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.822 -3.436 3.621 1.00 0.00 H new ATOM 452 N GLN A 30 1.086 -3.028 -1.170 1.00 0.00 N ATOM 453 CA GLN A 30 1.881 -2.534 -2.285 1.00 0.00 C ATOM 454 C GLN A 30 1.008 -1.866 -3.344 1.00 0.00 C ATOM 455 O GLN A 30 0.004 -2.429 -3.785 1.00 0.00 O ATOM 456 CB GLN A 30 2.724 -3.657 -2.899 1.00 0.00 C ATOM 457 CG GLN A 30 1.962 -4.935 -3.218 1.00 0.00 C ATOM 458 CD GLN A 30 2.829 -5.942 -3.919 1.00 0.00 C ATOM 459 OE1 GLN A 30 3.917 -6.273 -3.459 1.00 0.00 O ATOM 460 NE2 GLN A 30 2.364 -6.427 -5.041 1.00 0.00 N ATOM 0 H GLN A 30 0.546 -3.870 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 30 2.559 -1.776 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.182 -3.287 -3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.536 -3.898 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.576 -5.368 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.101 -4.698 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.454 -6.125 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.911 -7.107 -5.568 1.00 0.00 H new ATOM 469 N TRP A 31 1.407 -0.667 -3.762 1.00 0.00 N ATOM 470 CA TRP A 31 0.607 0.127 -4.696 1.00 0.00 C ATOM 471 C TRP A 31 0.967 -0.186 -6.147 1.00 0.00 C ATOM 472 O TRP A 31 0.777 0.645 -7.029 1.00 0.00 O ATOM 473 CB TRP A 31 0.781 1.643 -4.451 1.00 0.00 C ATOM 474 CG TRP A 31 1.767 1.998 -3.372 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.113 1.805 -3.418 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.500 2.627 -2.111 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.697 2.229 -2.253 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.732 2.744 -1.437 1.00 0.00 C ATOM 479 CE3 TRP A 31 0.347 3.092 -1.478 1.00 0.00 C ATOM 480 CZ2 TRP A 31 2.840 3.301 -0.170 1.00 0.00 C ATOM 481 CZ3 TRP A 31 0.459 3.647 -0.220 1.00 0.00 C ATOM 482 CH2 TRP A 31 1.697 3.747 0.422 1.00 0.00 C ATOM 0 H TRP A 31 2.278 -0.223 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.433 -0.145 -4.518 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.097 2.113 -5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.188 2.069 -4.192 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.646 1.378 -4.255 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.691 2.169 -2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.615 3.019 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.795 3.378 0.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.427 4.011 0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.748 4.187 1.407 1.00 0.00 H new ATOM 493 N HIS A 32 1.498 -1.375 -6.395 1.00 0.00 N ATOM 494 CA HIS A 32 1.817 -1.776 -7.762 1.00 0.00 C ATOM 495 C HIS A 32 1.079 -3.051 -8.141 1.00 0.00 C ATOM 496 O HIS A 32 1.321 -3.614 -9.206 1.00 0.00 O ATOM 497 CB HIS A 32 3.330 -1.958 -7.988 1.00 0.00 C ATOM 498 CG HIS A 32 4.113 -2.401 -6.791 1.00 0.00 C ATOM 499 ND1 HIS A 32 4.487 -3.709 -6.584 1.00 0.00 N ATOM 500 CD2 HIS A 32 4.611 -1.699 -5.747 1.00 0.00 C ATOM 501 CE1 HIS A 32 5.176 -3.794 -5.463 1.00 0.00 C ATOM 502 NE2 HIS A 32 5.267 -2.586 -4.935 1.00 0.00 N ATOM 0 H HIS A 32 1.715 -2.071 -5.681 1.00 0.00 H new ATOM 0 HA HIS A 32 1.485 -0.963 -8.407 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.475 -2.687 -8.785 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.743 -1.013 -8.341 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.510 -0.636 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.595 -4.698 -5.047 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.747 -2.352 -4.066 1.00 0.00 H new ATOM 511 N ARG A 33 0.170 -3.492 -7.262 1.00 0.00 N ATOM 512 CA ARG A 33 -0.611 -4.720 -7.477 1.00 0.00 C ATOM 513 C ARG A 33 0.290 -5.963 -7.431 1.00 0.00 C ATOM 514 O ARG A 33 1.487 -5.883 -7.694 1.00 0.00 O ATOM 515 CB ARG A 33 -1.374 -4.656 -8.806 1.00 0.00 C ATOM 516 CG ARG A 33 -2.443 -3.576 -8.832 1.00 0.00 C ATOM 517 CD ARG A 33 -2.264 -2.621 -9.995 1.00 0.00 C ATOM 518 NE ARG A 33 -2.087 -1.241 -9.542 1.00 0.00 N ATOM 519 CZ ARG A 33 -1.079 -0.451 -9.905 1.00 0.00 C ATOM 520 NH1 ARG A 33 -0.201 -0.853 -10.816 1.00 0.00 N ATOM 521 NH2 ARG A 33 -0.979 0.759 -9.373 1.00 0.00 N ATOM 0 H ARG A 33 -0.045 -3.013 -6.388 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.337 -4.799 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.666 -4.477 -9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.839 -5.623 -8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.426 -4.042 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.415 -3.016 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.399 -2.924 -10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.133 -2.680 -10.651 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.784 -0.858 -8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.296 -1.774 -11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.568 -0.241 -11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.670 1.076 -8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.211 1.373 -9.644 1.00 0.00 H new ATOM 535 N PRO A 34 -0.265 -7.131 -7.071 1.00 0.00 N ATOM 536 CA PRO A 34 0.514 -8.372 -6.945 1.00 0.00 C ATOM 537 C PRO A 34 0.846 -9.024 -8.286 1.00 0.00 C ATOM 538 O PRO A 34 1.258 -10.186 -8.343 1.00 0.00 O ATOM 539 CB PRO A 34 -0.389 -9.278 -6.117 1.00 0.00 C ATOM 540 CG PRO A 34 -1.777 -8.790 -6.360 1.00 0.00 C ATOM 541 CD PRO A 34 -1.685 -7.333 -6.731 1.00 0.00 C ATOM 0 HA PRO A 34 1.487 -8.181 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.281 -10.320 -6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.134 -9.224 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.250 -9.360 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.391 -8.921 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.333 -7.096 -7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.991 -6.692 -5.904 1.00 0.00 H new