USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -2.4! C(o=-5.1!,f=-15!) USER MOD Set 2.2: A 60 TYR OH : rot 120:sc= -2.7! USER MOD Set 3.1: A 28 MET CE :methyl 176:sc= -0.118 (180deg=-0.133) USER MOD Set 3.2: A 65 MET CE :methyl -114:sc= -0.0529 (180deg=-1.02) USER MOD Single : A 14 SER OG : rot 33:sc= 0.334 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 23 MET CE :methyl 149:sc= -0.0537 (180deg=-0.873) USER MOD Single : A 31 SER OG : rot 180:sc=0.000563 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.23) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.976 (180deg=-1.92) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.0529 (180deg=-0.482) USER MOD Single : A 72 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.44) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.27 F(o=-1.9,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.623 -0.811 -7.931 1.00 0.00 N ATOM 24 CA SER A 14 6.273 -1.399 -7.696 1.00 0.00 C ATOM 25 C SER A 14 5.760 -0.960 -6.324 1.00 0.00 C ATOM 26 O SER A 14 6.512 -0.490 -5.492 1.00 0.00 O ATOM 27 CB SER A 14 6.366 -2.924 -7.739 1.00 0.00 C ATOM 28 OG SER A 14 7.127 -3.316 -8.874 1.00 0.00 O ATOM 0 HA SER A 14 5.587 -1.055 -8.470 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.833 -3.297 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.368 -3.360 -7.788 1.00 0.00 H new ATOM 0 HG SER A 14 7.812 -2.640 -9.058 1.00 0.00 H new ATOM 34 N ILE A 15 4.479 -1.105 -6.083 1.00 0.00 N ATOM 35 CA ILE A 15 3.893 -0.693 -4.766 1.00 0.00 C ATOM 36 C ILE A 15 3.312 -1.923 -4.063 1.00 0.00 C ATOM 37 O ILE A 15 2.502 -2.638 -4.617 1.00 0.00 O ATOM 38 CB ILE A 15 2.753 0.301 -5.007 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.250 1.493 -5.841 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.218 0.801 -3.662 1.00 0.00 C ATOM 41 CD1 ILE A 15 4.484 2.137 -5.197 1.00 0.00 C ATOM 0 H ILE A 15 3.809 -1.494 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 15 4.671 -0.237 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 15 1.956 -0.202 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.494 1.159 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.455 2.233 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.407 1.508 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.847 -0.043 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.020 1.294 -3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.816 2.978 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.230 2.491 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.285 1.401 -5.128 1.00 0.00 H new ATOM 53 N TRP A 16 3.705 -2.169 -2.840 1.00 0.00 N ATOM 54 CA TRP A 16 3.161 -3.346 -2.094 1.00 0.00 C ATOM 55 C TRP A 16 3.024 -2.958 -0.617 1.00 0.00 C ATOM 56 O TRP A 16 3.945 -2.432 -0.023 1.00 0.00 O ATOM 57 CB TRP A 16 4.125 -4.531 -2.221 1.00 0.00 C ATOM 58 CG TRP A 16 4.304 -4.896 -3.664 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.188 -4.310 -4.504 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.616 -5.919 -4.445 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.085 -4.902 -5.749 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.130 -5.899 -5.765 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.605 -6.851 -4.143 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.661 -6.772 -6.747 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.131 -7.732 -5.129 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.659 -7.692 -6.429 1.00 0.00 C ATOM 0 H TRP A 16 4.380 -1.605 -2.324 1.00 0.00 H new ATOM 0 HA TRP A 16 2.192 -3.632 -2.503 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.088 -4.275 -1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.738 -5.386 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.865 -3.509 -4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.646 -4.635 -6.558 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.191 -6.889 -3.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.070 -6.737 -7.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.356 -8.444 -4.886 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.291 -8.372 -7.183 1.00 0.00 H new ATOM 77 N CYS A 17 1.878 -3.201 -0.024 1.00 0.00 N ATOM 78 CA CYS A 17 1.665 -2.834 1.418 1.00 0.00 C ATOM 79 C CYS A 17 1.172 -4.058 2.199 1.00 0.00 C ATOM 80 O CYS A 17 0.270 -4.754 1.777 1.00 0.00 O ATOM 81 CB CYS A 17 0.620 -1.719 1.491 1.00 0.00 C ATOM 82 SG CYS A 17 0.958 -0.494 0.201 1.00 0.00 S ATOM 0 H CYS A 17 1.076 -3.640 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 17 2.603 -2.493 1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.380 -2.133 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.645 -1.246 2.473 1.00 0.00 H new ATOM 0 HG CYS A 17 0.070 0.454 0.259 1.00 0.00 H new ATOM 88 N SER A 18 1.764 -4.329 3.335 1.00 0.00 N ATOM 89 CA SER A 18 1.342 -5.512 4.147 1.00 0.00 C ATOM 90 C SER A 18 0.010 -5.214 4.865 1.00 0.00 C ATOM 91 O SER A 18 -0.279 -4.076 5.177 1.00 0.00 O ATOM 92 CB SER A 18 2.427 -5.801 5.186 1.00 0.00 C ATOM 93 OG SER A 18 3.620 -6.195 4.520 1.00 0.00 O ATOM 0 H SER A 18 2.524 -3.780 3.737 1.00 0.00 H new ATOM 0 HA SER A 18 1.204 -6.374 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.611 -4.915 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.098 -6.589 5.864 1.00 0.00 H new ATOM 0 HG SER A 18 4.319 -6.380 5.182 1.00 0.00 H new ATOM 99 N PRO A 19 -0.799 -6.225 5.136 1.00 0.00 N ATOM 100 CA PRO A 19 -2.107 -6.044 5.834 1.00 0.00 C ATOM 101 C PRO A 19 -2.048 -5.024 6.976 1.00 0.00 C ATOM 102 O PRO A 19 -3.015 -4.351 7.268 1.00 0.00 O ATOM 103 CB PRO A 19 -2.399 -7.437 6.394 1.00 0.00 C ATOM 104 CG PRO A 19 -1.790 -8.377 5.406 1.00 0.00 C ATOM 105 CD PRO A 19 -0.569 -7.649 4.809 1.00 0.00 C ATOM 0 HA PRO A 19 -2.868 -5.658 5.156 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.962 -7.565 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.471 -7.607 6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.490 -9.307 5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.506 -8.639 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.362 -8.012 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.500 -7.804 3.732 1.00 0.00 H new ATOM 113 N GLN A 20 -0.929 -4.910 7.632 1.00 0.00 N ATOM 114 CA GLN A 20 -0.834 -3.946 8.758 1.00 0.00 C ATOM 115 C GLN A 20 -1.117 -2.543 8.227 1.00 0.00 C ATOM 116 O GLN A 20 -1.806 -1.755 8.847 1.00 0.00 O ATOM 117 CB GLN A 20 0.580 -3.998 9.332 1.00 0.00 C ATOM 118 CG GLN A 20 0.798 -5.335 10.040 1.00 0.00 C ATOM 119 CD GLN A 20 2.221 -5.391 10.600 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.810 -4.284 10.964 1.00 0.00 O flip ATOM 121 NE2 GLN A 20 2.805 -6.452 10.707 1.00 0.00 N flip ATOM 0 H GLN A 20 -0.080 -5.441 7.438 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.555 -4.197 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.312 -3.874 8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.730 -3.176 10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.074 -5.454 10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.638 -6.158 9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.346 -7.318 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.754 -6.477 11.081 1.00 0.00 H new ATOM 130 N GLU A 21 -0.603 -2.235 7.073 1.00 0.00 N ATOM 131 CA GLU A 21 -0.849 -0.893 6.487 1.00 0.00 C ATOM 132 C GLU A 21 -2.316 -0.787 6.067 1.00 0.00 C ATOM 133 O GLU A 21 -2.964 0.216 6.290 1.00 0.00 O ATOM 134 CB GLU A 21 0.038 -0.722 5.256 1.00 0.00 C ATOM 135 CG GLU A 21 1.504 -0.646 5.689 1.00 0.00 C ATOM 136 CD GLU A 21 1.756 0.672 6.421 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.160 1.663 6.036 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.542 0.666 7.354 1.00 0.00 O ATOM 0 H GLU A 21 -0.022 -2.856 6.509 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.622 -0.120 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.107 -1.558 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.240 0.184 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.745 -1.487 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.155 -0.720 4.818 1.00 0.00 H new ATOM 145 N ILE A 22 -2.850 -1.816 5.456 1.00 0.00 N ATOM 146 CA ILE A 22 -4.275 -1.763 5.027 1.00 0.00 C ATOM 147 C ILE A 22 -5.182 -1.801 6.256 1.00 0.00 C ATOM 148 O ILE A 22 -6.065 -0.980 6.406 1.00 0.00 O ATOM 149 CB ILE A 22 -4.602 -2.950 4.116 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.738 -2.877 2.850 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.081 -2.895 3.724 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.874 -4.173 2.036 1.00 0.00 C ATOM 0 H ILE A 22 -2.361 -2.684 5.238 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.441 -0.837 4.476 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.396 -3.881 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.042 -2.024 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.695 -2.718 3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.317 -3.739 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.697 -2.944 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.283 -1.963 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.256 -4.107 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.547 -5.019 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.916 -4.314 1.748 1.00 0.00 H new ATOM 164 N MET A 23 -4.987 -2.750 7.135 1.00 0.00 N ATOM 165 CA MET A 23 -5.850 -2.844 8.346 1.00 0.00 C ATOM 166 C MET A 23 -6.003 -1.471 8.999 1.00 0.00 C ATOM 167 O MET A 23 -7.018 -1.175 9.596 1.00 0.00 O ATOM 168 CB MET A 23 -5.192 -3.801 9.343 1.00 0.00 C ATOM 169 CG MET A 23 -5.328 -5.245 8.851 1.00 0.00 C ATOM 170 SD MET A 23 -4.201 -6.303 9.795 1.00 0.00 S ATOM 171 CE MET A 23 -5.010 -6.152 11.405 1.00 0.00 C ATOM 0 H MET A 23 -4.264 -3.466 7.064 1.00 0.00 H new ATOM 0 HA MET A 23 -6.836 -3.209 8.058 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.139 -3.547 9.463 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.659 -3.696 10.322 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.355 -5.588 8.972 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.096 -5.303 7.788 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.866 -7.072 11.972 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.576 -5.316 11.953 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.076 -5.977 11.261 1.00 0.00 H new ATOM 181 N ALA A 24 -5.013 -0.628 8.901 1.00 0.00 N ATOM 182 CA ALA A 24 -5.129 0.718 9.529 1.00 0.00 C ATOM 183 C ALA A 24 -5.933 1.645 8.615 1.00 0.00 C ATOM 184 O ALA A 24 -6.267 2.753 8.984 1.00 0.00 O ATOM 185 CB ALA A 24 -3.731 1.301 9.746 1.00 0.00 C ATOM 0 H ALA A 24 -4.134 -0.811 8.417 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.639 0.627 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.815 2.286 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.160 0.643 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.221 1.390 8.787 1.00 0.00 H new ATOM 191 N ALA A 25 -6.250 1.207 7.424 1.00 0.00 N ATOM 192 CA ALA A 25 -7.035 2.071 6.496 1.00 0.00 C ATOM 193 C ALA A 25 -8.528 1.966 6.825 1.00 0.00 C ATOM 194 O ALA A 25 -9.084 0.887 6.904 1.00 0.00 O ATOM 195 CB ALA A 25 -6.793 1.619 5.050 1.00 0.00 C ATOM 0 H ALA A 25 -5.999 0.290 7.055 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.716 3.107 6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.366 2.250 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.732 1.703 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.109 0.582 4.935 1.00 0.00 H new ATOM 201 N ASP A 26 -9.179 3.081 7.006 1.00 0.00 N ATOM 202 CA ASP A 26 -10.636 3.061 7.316 1.00 0.00 C ATOM 203 C ASP A 26 -11.393 2.379 6.172 1.00 0.00 C ATOM 204 O ASP A 26 -12.328 1.635 6.390 1.00 0.00 O ATOM 205 CB ASP A 26 -11.138 4.497 7.487 1.00 0.00 C ATOM 206 CG ASP A 26 -12.634 4.487 7.806 1.00 0.00 C ATOM 207 OD1 ASP A 26 -13.406 4.159 6.921 1.00 0.00 O ATOM 208 OD2 ASP A 26 -12.980 4.804 8.932 1.00 0.00 O ATOM 0 H ASP A 26 -8.762 4.010 6.952 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.807 2.507 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.589 4.991 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.955 5.067 6.576 1.00 0.00 H new ATOM 213 N GLY A 27 -11.004 2.643 4.953 1.00 0.00 N ATOM 214 CA GLY A 27 -11.703 2.029 3.786 1.00 0.00 C ATOM 215 C GLY A 27 -11.698 0.502 3.907 1.00 0.00 C ATOM 216 O GLY A 27 -12.610 -0.163 3.455 1.00 0.00 O ATOM 0 H GLY A 27 -10.228 3.261 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.729 2.393 3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.212 2.329 2.860 1.00 0.00 H new ATOM 220 N MET A 28 -10.678 -0.061 4.508 1.00 0.00 N ATOM 221 CA MET A 28 -10.603 -1.553 4.659 1.00 0.00 C ATOM 222 C MET A 28 -10.493 -1.905 6.147 1.00 0.00 C ATOM 223 O MET A 28 -9.421 -2.179 6.648 1.00 0.00 O ATOM 224 CB MET A 28 -9.366 -2.072 3.925 1.00 0.00 C ATOM 225 CG MET A 28 -9.426 -1.673 2.449 1.00 0.00 C ATOM 226 SD MET A 28 -8.729 -0.021 2.241 1.00 0.00 S ATOM 227 CE MET A 28 -8.306 -0.223 0.499 1.00 0.00 C ATOM 0 H MET A 28 -9.889 0.450 4.903 1.00 0.00 H new ATOM 0 HA MET A 28 -11.498 -2.011 4.239 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.464 -1.666 4.383 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.308 -3.157 4.015 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.872 -2.391 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 28 -10.458 -1.690 2.099 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.912 0.715 0.109 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.553 -1.004 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.198 -0.503 -0.062 1.00 0.00 H new ATOM 237 N PRO A 29 -11.595 -1.887 6.852 1.00 0.00 N ATOM 238 CA PRO A 29 -11.634 -2.195 8.312 1.00 0.00 C ATOM 239 C PRO A 29 -11.720 -3.695 8.593 1.00 0.00 C ATOM 240 O PRO A 29 -11.862 -4.499 7.693 1.00 0.00 O ATOM 241 CB PRO A 29 -12.919 -1.508 8.759 1.00 0.00 C ATOM 242 CG PRO A 29 -13.831 -1.669 7.586 1.00 0.00 C ATOM 243 CD PRO A 29 -12.943 -1.568 6.340 1.00 0.00 C ATOM 0 HA PRO A 29 -10.734 -1.861 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.332 -1.973 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.751 -0.457 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.345 -2.629 7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.599 -0.896 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.255 -2.270 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.980 -0.571 5.900 1.00 0.00 H new ATOM 251 N GLY A 30 -11.632 -4.076 9.840 1.00 0.00 N ATOM 252 CA GLY A 30 -11.705 -5.522 10.197 1.00 0.00 C ATOM 253 C GLY A 30 -10.289 -6.060 10.354 1.00 0.00 C ATOM 254 O GLY A 30 -9.329 -5.422 9.970 1.00 0.00 O ATOM 0 H GLY A 30 -11.512 -3.443 10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.264 -5.654 11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.236 -6.076 9.422 1.00 0.00 H new ATOM 258 N SER A 31 -10.142 -7.222 10.918 1.00 0.00 N ATOM 259 CA SER A 31 -8.779 -7.784 11.100 1.00 0.00 C ATOM 260 C SER A 31 -8.219 -8.171 9.732 1.00 0.00 C ATOM 261 O SER A 31 -8.768 -7.816 8.708 1.00 0.00 O ATOM 262 CB SER A 31 -8.852 -9.021 11.997 1.00 0.00 C ATOM 263 OG SER A 31 -9.814 -9.926 11.471 1.00 0.00 O ATOM 0 H SER A 31 -10.905 -7.806 11.260 1.00 0.00 H new ATOM 0 HA SER A 31 -8.130 -7.043 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.876 -9.502 12.053 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.124 -8.733 13.012 1.00 0.00 H new ATOM 0 HG SER A 31 -9.862 -10.721 12.042 1.00 0.00 H new ATOM 269 N VAL A 32 -7.122 -8.869 9.699 1.00 0.00 N ATOM 270 CA VAL A 32 -6.530 -9.239 8.384 1.00 0.00 C ATOM 271 C VAL A 32 -7.578 -9.962 7.531 1.00 0.00 C ATOM 272 O VAL A 32 -7.723 -9.687 6.358 1.00 0.00 O ATOM 273 CB VAL A 32 -5.328 -10.158 8.602 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.733 -10.531 7.247 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.268 -9.437 9.446 1.00 0.00 C ATOM 0 H VAL A 32 -6.611 -9.198 10.518 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.206 -8.334 7.869 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.649 -11.059 9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.875 -11.187 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.485 -11.046 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.414 -9.627 6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.414 -10.097 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.942 -8.535 8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.694 -9.167 10.412 1.00 0.00 H new ATOM 285 N ALA A 33 -8.301 -10.892 8.091 1.00 0.00 N ATOM 286 CA ALA A 33 -9.321 -11.621 7.282 1.00 0.00 C ATOM 287 C ALA A 33 -10.355 -10.633 6.730 1.00 0.00 C ATOM 288 O ALA A 33 -10.774 -10.733 5.595 1.00 0.00 O ATOM 289 CB ALA A 33 -10.028 -12.654 8.162 1.00 0.00 C ATOM 0 H ALA A 33 -8.232 -11.178 9.068 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.824 -12.123 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.773 -13.186 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.297 -13.364 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.518 -12.149 8.994 1.00 0.00 H new ATOM 295 N GLY A 34 -10.770 -9.676 7.519 1.00 0.00 N ATOM 296 CA GLY A 34 -11.774 -8.692 7.018 1.00 0.00 C ATOM 297 C GLY A 34 -11.225 -8.040 5.750 1.00 0.00 C ATOM 298 O GLY A 34 -11.931 -7.841 4.774 1.00 0.00 O ATOM 0 H GLY A 34 -10.460 -9.534 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.720 -9.190 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.974 -7.935 7.777 1.00 0.00 H new ATOM 302 N VAL A 35 -9.961 -7.729 5.749 1.00 0.00 N ATOM 303 CA VAL A 35 -9.347 -7.115 4.545 1.00 0.00 C ATOM 304 C VAL A 35 -9.419 -8.121 3.394 1.00 0.00 C ATOM 305 O VAL A 35 -9.717 -7.779 2.268 1.00 0.00 O ATOM 306 CB VAL A 35 -7.881 -6.779 4.849 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.137 -6.427 3.554 1.00 0.00 C ATOM 308 CG2 VAL A 35 -7.829 -5.593 5.815 1.00 0.00 C ATOM 0 H VAL A 35 -9.326 -7.875 6.534 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.877 -6.203 4.270 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.399 -7.645 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.098 -6.191 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.173 -7.276 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.610 -5.564 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.790 -5.349 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.316 -4.731 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.344 -5.854 6.739 1.00 0.00 H new ATOM 318 N HIS A 36 -9.151 -9.365 3.681 1.00 0.00 N ATOM 319 CA HIS A 36 -9.204 -10.410 2.624 1.00 0.00 C ATOM 320 C HIS A 36 -10.628 -10.508 2.088 1.00 0.00 C ATOM 321 O HIS A 36 -10.845 -10.857 0.949 1.00 0.00 O ATOM 322 CB HIS A 36 -8.784 -11.758 3.218 1.00 0.00 C ATOM 323 CG HIS A 36 -7.289 -11.794 3.363 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.600 -10.954 4.222 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.338 -12.557 2.745 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.289 -11.231 4.090 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.075 -12.202 3.203 1.00 0.00 N ATOM 0 H HIS A 36 -8.896 -9.703 4.609 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.526 -10.147 1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.258 -11.904 4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.118 -12.572 2.574 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.010 -10.254 4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.539 -13.322 2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.506 -10.727 4.637 1.00 0.00 H new ATOM 335 N TYR A 37 -11.600 -10.200 2.899 1.00 0.00 N ATOM 336 CA TYR A 37 -13.006 -10.285 2.427 1.00 0.00 C ATOM 337 C TYR A 37 -13.169 -9.361 1.219 1.00 0.00 C ATOM 338 O TYR A 37 -13.666 -9.765 0.187 1.00 0.00 O ATOM 339 CB TYR A 37 -13.948 -9.837 3.545 1.00 0.00 C ATOM 340 CG TYR A 37 -15.377 -10.080 3.132 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.072 -9.100 2.415 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.008 -11.286 3.465 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.400 -9.324 2.031 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.336 -11.508 3.081 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.031 -10.528 2.365 1.00 0.00 C ATOM 346 OH TYR A 37 -19.340 -10.747 1.987 1.00 0.00 O ATOM 0 H TYR A 37 -11.481 -9.894 3.865 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.247 -11.311 2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.726 -10.384 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.796 -8.779 3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.585 -8.171 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.471 -12.043 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.937 -8.568 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.824 -12.437 3.338 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.626 -11.632 2.296 1.00 0.00 H new ATOM 356 N ARG A 38 -12.742 -8.132 1.325 1.00 0.00 N ATOM 357 CA ARG A 38 -12.870 -7.217 0.154 1.00 0.00 C ATOM 358 C ARG A 38 -12.029 -7.770 -0.999 1.00 0.00 C ATOM 359 O ARG A 38 -12.415 -7.718 -2.151 1.00 0.00 O ATOM 360 CB ARG A 38 -12.362 -5.819 0.518 1.00 0.00 C ATOM 361 CG ARG A 38 -13.328 -5.160 1.499 1.00 0.00 C ATOM 362 CD ARG A 38 -12.817 -3.762 1.857 1.00 0.00 C ATOM 363 NE ARG A 38 -13.591 -3.221 3.023 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.896 -3.125 3.000 1.00 0.00 C ATOM 365 NH1 ARG A 38 -15.558 -3.307 1.891 1.00 0.00 N ATOM 366 NH2 ARG A 38 -15.536 -2.787 4.086 1.00 0.00 N ATOM 0 H ARG A 38 -12.316 -7.726 2.158 1.00 0.00 H new ATOM 0 HA ARG A 38 -13.918 -7.150 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.368 -5.887 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.269 -5.210 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.322 -5.093 1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.419 -5.767 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.756 -3.804 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.920 -3.097 1.000 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.086 -2.920 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.059 -3.527 1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.575 -3.230 1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.019 -2.600 4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.553 -2.710 4.076 1.00 0.00 H new ATOM 380 N ALA A 39 -10.868 -8.280 -0.693 1.00 0.00 N ATOM 381 CA ALA A 39 -9.972 -8.820 -1.755 1.00 0.00 C ATOM 382 C ALA A 39 -10.354 -10.267 -2.096 1.00 0.00 C ATOM 383 O ALA A 39 -9.786 -10.869 -2.986 1.00 0.00 O ATOM 384 CB ALA A 39 -8.527 -8.772 -1.254 1.00 0.00 C ATOM 0 H ALA A 39 -10.498 -8.346 0.255 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.076 -8.215 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.862 -9.165 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.254 -7.741 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.435 -9.376 -0.351 1.00 0.00 H new ATOM 390 N ASN A 40 -11.320 -10.826 -1.418 1.00 0.00 N ATOM 391 CA ASN A 40 -11.732 -12.223 -1.742 1.00 0.00 C ATOM 392 C ASN A 40 -12.571 -12.200 -3.020 1.00 0.00 C ATOM 393 O ASN A 40 -12.323 -12.928 -3.959 1.00 0.00 O ATOM 394 CB ASN A 40 -12.569 -12.802 -0.596 1.00 0.00 C ATOM 395 CG ASN A 40 -12.925 -14.256 -0.907 1.00 0.00 C ATOM 396 OD1 ASN A 40 -14.074 -14.578 -1.142 1.00 0.00 O ATOM 397 ND2 ASN A 40 -11.980 -15.155 -0.919 1.00 0.00 N ATOM 0 H ASN A 40 -11.838 -10.381 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.847 -12.843 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.012 -12.745 0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.478 -12.215 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.205 -16.128 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.016 -14.885 -0.722 1.00 0.00 H new ATOM 404 N VAL A 41 -13.563 -11.353 -3.049 1.00 0.00 N ATOM 405 CA VAL A 41 -14.438 -11.253 -4.248 1.00 0.00 C ATOM 406 C VAL A 41 -13.653 -10.625 -5.404 1.00 0.00 C ATOM 407 O VAL A 41 -13.689 -11.098 -6.522 1.00 0.00 O ATOM 408 CB VAL A 41 -15.645 -10.369 -3.912 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.429 -10.046 -5.188 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.555 -11.104 -2.926 1.00 0.00 C ATOM 0 H VAL A 41 -13.806 -10.721 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.777 -12.247 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.294 -9.439 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.285 -9.418 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.782 -9.518 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.779 -10.972 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.414 -10.477 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.900 -12.036 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.000 -11.324 -2.014 1.00 0.00 H new ATOM 420 N GLN A 42 -12.958 -9.552 -5.141 1.00 0.00 N ATOM 421 CA GLN A 42 -12.185 -8.878 -6.223 1.00 0.00 C ATOM 422 C GLN A 42 -10.870 -9.621 -6.462 1.00 0.00 C ATOM 423 O GLN A 42 -10.296 -10.200 -5.562 1.00 0.00 O ATOM 424 CB GLN A 42 -11.902 -7.431 -5.816 1.00 0.00 C ATOM 425 CG GLN A 42 -13.226 -6.673 -5.696 1.00 0.00 C ATOM 426 CD GLN A 42 -13.851 -6.514 -7.084 1.00 0.00 C ATOM 427 OE1 GLN A 42 -14.964 -6.944 -7.315 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.180 -5.912 -8.026 1.00 0.00 N ATOM 0 H GLN A 42 -12.892 -9.113 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.766 -8.887 -7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.368 -7.406 -4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.261 -6.952 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.908 -7.212 -5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.057 -5.694 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.246 -5.550 -7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.589 -5.803 -8.954 1.00 0.00 H new ATOM 437 N GLY A 43 -10.397 -9.610 -7.678 1.00 0.00 N ATOM 438 CA GLY A 43 -9.126 -10.315 -8.004 1.00 0.00 C ATOM 439 C GLY A 43 -7.936 -9.405 -7.711 1.00 0.00 C ATOM 440 O GLY A 43 -7.200 -9.021 -8.600 1.00 0.00 O ATOM 0 H GLY A 43 -10.841 -9.139 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.047 -11.231 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.121 -10.607 -9.054 1.00 0.00 H new ATOM 444 N TRP A 44 -7.738 -9.062 -6.472 1.00 0.00 N ATOM 445 CA TRP A 44 -6.587 -8.180 -6.114 1.00 0.00 C ATOM 446 C TRP A 44 -5.283 -8.908 -6.437 1.00 0.00 C ATOM 447 O TRP A 44 -5.213 -10.119 -6.386 1.00 0.00 O ATOM 448 CB TRP A 44 -6.584 -7.893 -4.606 1.00 0.00 C ATOM 449 CG TRP A 44 -7.684 -6.956 -4.217 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.824 -6.738 -4.911 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.762 -6.113 -3.029 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.596 -5.814 -4.225 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.981 -5.400 -3.058 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.896 -5.901 -1.938 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.332 -4.509 -2.040 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.242 -5.009 -0.916 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.459 -4.313 -0.965 1.00 0.00 C ATOM 0 H TRP A 44 -8.322 -9.353 -5.688 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.677 -7.250 -6.675 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.693 -8.829 -4.058 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.623 -7.465 -4.319 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.089 -7.207 -5.847 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.506 -5.480 -4.542 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.957 -6.432 -1.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.270 -3.976 -2.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.569 -4.856 -0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.722 -3.627 -0.174 1.00 0.00 H new ATOM 468 N THR A 45 -4.239 -8.183 -6.718 1.00 0.00 N ATOM 469 CA THR A 45 -2.936 -8.845 -6.979 1.00 0.00 C ATOM 470 C THR A 45 -2.398 -9.296 -5.617 1.00 0.00 C ATOM 471 O THR A 45 -2.361 -8.526 -4.677 1.00 0.00 O ATOM 472 CB THR A 45 -1.992 -7.837 -7.666 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.128 -7.963 -9.074 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.529 -8.083 -7.273 1.00 0.00 C ATOM 0 H THR A 45 -4.232 -7.165 -6.778 1.00 0.00 H new ATOM 0 HA THR A 45 -3.027 -9.706 -7.641 1.00 0.00 H new ATOM 0 HB THR A 45 -2.265 -6.832 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.532 -7.324 -9.519 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.110 -7.356 -7.774 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.420 -7.979 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.236 -9.090 -7.572 1.00 0.00 H new ATOM 482 N LYS A 46 -2.028 -10.547 -5.487 1.00 0.00 N ATOM 483 CA LYS A 46 -1.547 -11.058 -4.163 1.00 0.00 C ATOM 484 C LYS A 46 -0.252 -11.855 -4.323 1.00 0.00 C ATOM 485 O LYS A 46 -0.010 -12.488 -5.331 1.00 0.00 O ATOM 486 CB LYS A 46 -2.624 -11.986 -3.595 1.00 0.00 C ATOM 487 CG LYS A 46 -3.930 -11.203 -3.419 1.00 0.00 C ATOM 488 CD LYS A 46 -5.026 -12.118 -2.852 1.00 0.00 C ATOM 489 CE LYS A 46 -5.292 -13.289 -3.811 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.132 -12.833 -5.223 1.00 0.00 N ATOM 0 H LYS A 46 -2.038 -11.236 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.356 -10.214 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.781 -12.831 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.300 -12.394 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.769 -10.359 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.248 -10.793 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.723 -12.499 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.943 -11.548 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.601 -14.106 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.299 -13.676 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.639 -13.483 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.523 -11.875 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.122 -12.823 -5.472 1.00 0.00 H new ATOM 504 N ARG A 47 0.568 -11.840 -3.309 1.00 0.00 N ATOM 505 CA ARG A 47 1.849 -12.606 -3.339 1.00 0.00 C ATOM 506 C ARG A 47 2.174 -13.025 -1.905 1.00 0.00 C ATOM 507 O ARG A 47 1.511 -12.611 -0.976 1.00 0.00 O ATOM 508 CB ARG A 47 2.983 -11.748 -3.925 1.00 0.00 C ATOM 509 CG ARG A 47 3.296 -10.553 -3.017 1.00 0.00 C ATOM 510 CD ARG A 47 4.428 -9.737 -3.647 1.00 0.00 C ATOM 511 NE ARG A 47 4.802 -8.607 -2.753 1.00 0.00 N ATOM 512 CZ ARG A 47 5.939 -7.991 -2.931 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.744 -8.373 -3.885 1.00 0.00 N ATOM 514 NH2 ARG A 47 6.274 -6.996 -2.155 1.00 0.00 N ATOM 0 H ARG A 47 0.403 -11.321 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 47 1.748 -13.485 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.878 -12.358 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.699 -11.392 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.409 -9.933 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.587 -10.899 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.294 -10.376 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.114 -9.354 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 47 4.173 -8.315 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.484 -9.152 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.633 -7.893 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.647 -6.698 -1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.163 -6.516 -2.296 1.00 0.00 H new ATOM 678 N VAL A 58 2.139 -11.896 3.710 1.00 0.00 N ATOM 679 CA VAL A 58 1.299 -11.674 2.487 1.00 0.00 C ATOM 680 C VAL A 58 1.184 -10.175 2.211 1.00 0.00 C ATOM 681 O VAL A 58 1.052 -9.381 3.119 1.00 0.00 O ATOM 682 CB VAL A 58 -0.098 -12.250 2.721 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.767 -11.513 3.883 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.942 -12.073 1.457 1.00 0.00 C ATOM 0 HA VAL A 58 1.764 -12.168 1.634 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.016 -13.310 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.763 -11.924 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.168 -11.637 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.847 -10.453 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.938 -12.484 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.022 -11.012 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.468 -12.597 0.627 1.00 0.00 H new ATOM 694 N GLU A 59 1.247 -9.782 0.961 1.00 0.00 N ATOM 695 CA GLU A 59 1.152 -8.328 0.612 1.00 0.00 C ATOM 696 C GLU A 59 0.177 -8.130 -0.548 1.00 0.00 C ATOM 697 O GLU A 59 -0.054 -9.023 -1.345 1.00 0.00 O ATOM 698 CB GLU A 59 2.533 -7.817 0.195 1.00 0.00 C ATOM 699 CG GLU A 59 3.494 -7.900 1.388 1.00 0.00 C ATOM 700 CD GLU A 59 3.950 -9.349 1.586 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.728 -10.149 0.694 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.524 -9.630 2.626 1.00 0.00 O ATOM 0 H GLU A 59 1.361 -10.408 0.164 1.00 0.00 H new ATOM 0 HA GLU A 59 0.795 -7.776 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.916 -8.410 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.460 -6.787 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.358 -7.257 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.001 -7.538 2.290 1.00 0.00 H new ATOM 709 N TYR A 60 -0.383 -6.950 -0.648 1.00 0.00 N ATOM 710 CA TYR A 60 -1.343 -6.635 -1.749 1.00 0.00 C ATOM 711 C TYR A 60 -0.767 -5.470 -2.555 1.00 0.00 C ATOM 712 O TYR A 60 -0.220 -4.539 -1.998 1.00 0.00 O ATOM 713 CB TYR A 60 -2.681 -6.200 -1.146 1.00 0.00 C ATOM 714 CG TYR A 60 -3.354 -7.372 -0.473 1.00 0.00 C ATOM 715 CD1 TYR A 60 -4.187 -8.219 -1.211 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.151 -7.606 0.893 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.818 -9.297 -0.583 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.783 -8.685 1.520 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.618 -9.530 0.782 1.00 0.00 C ATOM 720 OH TYR A 60 -5.242 -10.595 1.396 1.00 0.00 O ATOM 0 H TYR A 60 -0.212 -6.180 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.495 -7.510 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.520 -5.400 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.327 -5.799 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.343 -8.041 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.506 -6.953 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.461 -9.951 -1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.626 -8.865 2.573 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.567 -11.196 1.774 1.00 0.00 H new ATOM 730 N ASP A 61 -0.883 -5.497 -3.855 1.00 0.00 N ATOM 731 CA ASP A 61 -0.335 -4.368 -4.669 1.00 0.00 C ATOM 732 C ASP A 61 -1.403 -3.283 -4.791 1.00 0.00 C ATOM 733 O ASP A 61 -2.410 -3.460 -5.447 1.00 0.00 O ATOM 734 CB ASP A 61 0.053 -4.868 -6.063 1.00 0.00 C ATOM 735 CG ASP A 61 0.670 -3.719 -6.861 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.567 -2.590 -6.412 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.235 -3.987 -7.908 1.00 0.00 O ATOM 0 H ASP A 61 -1.329 -6.244 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 61 0.552 -3.963 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.763 -5.691 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.825 -5.254 -6.580 1.00 0.00 H new ATOM 742 N VAL A 62 -1.198 -2.162 -4.157 1.00 0.00 N ATOM 743 CA VAL A 62 -2.198 -1.061 -4.220 1.00 0.00 C ATOM 744 C VAL A 62 -2.259 -0.465 -5.630 1.00 0.00 C ATOM 745 O VAL A 62 -3.167 0.273 -5.960 1.00 0.00 O ATOM 746 CB VAL A 62 -1.793 0.024 -3.218 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.680 1.259 -3.393 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.951 -0.523 -1.796 1.00 0.00 C ATOM 0 H VAL A 62 -0.372 -1.960 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.184 -1.455 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.755 0.307 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.384 2.024 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.568 1.647 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.721 0.986 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.664 0.244 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.990 -0.807 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.311 -1.396 -1.669 1.00 0.00 H new ATOM 758 N MET A 63 -1.291 -0.747 -6.451 1.00 0.00 N ATOM 759 CA MET A 63 -1.284 -0.163 -7.822 1.00 0.00 C ATOM 760 C MET A 63 -2.339 -0.849 -8.698 1.00 0.00 C ATOM 761 O MET A 63 -2.602 -0.418 -9.804 1.00 0.00 O ATOM 762 CB MET A 63 0.107 -0.361 -8.439 1.00 0.00 C ATOM 763 CG MET A 63 0.325 0.659 -9.558 1.00 0.00 C ATOM 764 SD MET A 63 0.509 2.305 -8.828 1.00 0.00 S ATOM 765 CE MET A 63 1.257 3.109 -10.261 1.00 0.00 C ATOM 0 H MET A 63 -0.503 -1.357 -6.234 1.00 0.00 H new ATOM 0 HA MET A 63 -1.519 0.900 -7.763 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.875 -0.245 -7.674 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.200 -1.373 -8.833 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.214 0.401 -10.134 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.518 0.646 -10.249 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.459 4.154 -10.028 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.191 2.607 -10.514 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.574 3.052 -11.108 1.00 0.00 H new ATOM 775 N SER A 64 -2.934 -1.918 -8.224 1.00 0.00 N ATOM 776 CA SER A 64 -3.964 -2.646 -9.038 1.00 0.00 C ATOM 777 C SER A 64 -5.369 -2.446 -8.451 1.00 0.00 C ATOM 778 O SER A 64 -6.353 -2.829 -9.053 1.00 0.00 O ATOM 779 CB SER A 64 -3.632 -4.140 -9.029 1.00 0.00 C ATOM 780 OG SER A 64 -2.502 -4.375 -9.861 1.00 0.00 O ATOM 0 H SER A 64 -2.751 -2.320 -7.305 1.00 0.00 H new ATOM 0 HA SER A 64 -3.951 -2.252 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.425 -4.472 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.486 -4.716 -9.385 1.00 0.00 H new ATOM 0 HG SER A 64 -2.285 -5.331 -9.856 1.00 0.00 H new ATOM 786 N MET A 65 -5.484 -1.868 -7.285 1.00 0.00 N ATOM 787 CA MET A 65 -6.837 -1.673 -6.681 1.00 0.00 C ATOM 788 C MET A 65 -7.541 -0.446 -7.295 1.00 0.00 C ATOM 789 O MET A 65 -6.895 0.512 -7.670 1.00 0.00 O ATOM 790 CB MET A 65 -6.687 -1.452 -5.173 1.00 0.00 C ATOM 791 CG MET A 65 -6.129 -2.716 -4.498 1.00 0.00 C ATOM 792 SD MET A 65 -6.728 -2.798 -2.791 1.00 0.00 S ATOM 793 CE MET A 65 -5.697 -1.489 -2.076 1.00 0.00 C ATOM 0 H MET A 65 -4.704 -1.523 -6.726 1.00 0.00 H new ATOM 0 HA MET A 65 -7.437 -2.561 -6.881 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.021 -0.609 -4.987 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.654 -1.197 -4.739 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.441 -3.604 -5.048 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.039 -2.699 -4.513 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.003 -1.924 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.135 -0.994 -2.869 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.332 -0.760 -1.572 1.00 0.00 H new ATOM 803 N PRO A 66 -8.861 -0.454 -7.367 1.00 0.00 N ATOM 804 CA PRO A 66 -9.638 0.700 -7.910 1.00 0.00 C ATOM 805 C PRO A 66 -9.078 2.046 -7.426 1.00 0.00 C ATOM 806 O PRO A 66 -8.316 2.103 -6.481 1.00 0.00 O ATOM 807 CB PRO A 66 -11.050 0.475 -7.351 1.00 0.00 C ATOM 808 CG PRO A 66 -11.177 -1.010 -7.183 1.00 0.00 C ATOM 809 CD PRO A 66 -9.756 -1.557 -6.950 1.00 0.00 C ATOM 0 HA PRO A 66 -9.602 0.745 -8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.184 0.991 -6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.809 0.860 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.826 -1.249 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.624 -1.462 -8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.599 -1.822 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.576 -2.458 -7.537 1.00 0.00 H new ATOM 817 N THR A 67 -9.451 3.128 -8.057 1.00 0.00 N ATOM 818 CA THR A 67 -8.941 4.459 -7.622 1.00 0.00 C ATOM 819 C THR A 67 -9.602 4.871 -6.300 1.00 0.00 C ATOM 820 O THR A 67 -8.999 5.521 -5.469 1.00 0.00 O ATOM 821 CB THR A 67 -9.273 5.502 -8.690 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.682 5.598 -8.832 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.649 5.094 -10.027 1.00 0.00 C ATOM 0 H THR A 67 -10.087 3.146 -8.854 1.00 0.00 H new ATOM 0 HA THR A 67 -7.862 4.396 -7.482 1.00 0.00 H new ATOM 0 HB THR A 67 -8.869 6.468 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.897 6.267 -9.515 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.889 5.841 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.567 5.024 -9.917 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.046 4.126 -10.334 1.00 0.00 H new ATOM 831 N LYS A 68 -10.846 4.520 -6.110 1.00 0.00 N ATOM 832 CA LYS A 68 -11.550 4.918 -4.857 1.00 0.00 C ATOM 833 C LYS A 68 -10.813 4.346 -3.642 1.00 0.00 C ATOM 834 O LYS A 68 -10.563 5.044 -2.680 1.00 0.00 O ATOM 835 CB LYS A 68 -12.986 4.388 -4.900 1.00 0.00 C ATOM 836 CG LYS A 68 -13.756 4.870 -3.669 1.00 0.00 C ATOM 837 CD LYS A 68 -15.205 4.386 -3.757 1.00 0.00 C ATOM 838 CE LYS A 68 -15.969 4.823 -2.508 1.00 0.00 C ATOM 839 NZ LYS A 68 -15.423 4.109 -1.320 1.00 0.00 N ATOM 0 H LYS A 68 -11.404 3.976 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.567 6.005 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.483 4.731 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.980 3.298 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.288 4.489 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.727 5.958 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.682 4.794 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.231 3.300 -3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.879 5.901 -2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.031 4.604 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.123 4.129 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.215 3.122 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.549 4.577 -1.005 1.00 0.00 H new ATOM 853 N GLU A 69 -10.440 3.097 -3.677 1.00 0.00 N ATOM 854 CA GLU A 69 -9.698 2.522 -2.520 1.00 0.00 C ATOM 855 C GLU A 69 -8.356 3.249 -2.381 1.00 0.00 C ATOM 856 O GLU A 69 -7.905 3.539 -1.291 1.00 0.00 O ATOM 857 CB GLU A 69 -9.463 1.020 -2.737 1.00 0.00 C ATOM 858 CG GLU A 69 -10.751 0.243 -2.432 1.00 0.00 C ATOM 859 CD GLU A 69 -10.594 -1.211 -2.881 1.00 0.00 C ATOM 860 OE1 GLU A 69 -9.537 -1.544 -3.387 1.00 0.00 O ATOM 861 OE2 GLU A 69 -11.536 -1.968 -2.709 1.00 0.00 O ATOM 0 H GLU A 69 -10.615 2.454 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.282 2.652 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.151 0.836 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.656 0.672 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.967 0.283 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.595 0.703 -2.945 1.00 0.00 H new ATOM 868 N ARG A 70 -7.711 3.543 -3.480 1.00 0.00 N ATOM 869 CA ARG A 70 -6.395 4.246 -3.411 1.00 0.00 C ATOM 870 C ARG A 70 -6.539 5.607 -2.719 1.00 0.00 C ATOM 871 O ARG A 70 -5.695 6.001 -1.945 1.00 0.00 O ATOM 872 CB ARG A 70 -5.852 4.454 -4.826 1.00 0.00 C ATOM 873 CG ARG A 70 -5.391 3.112 -5.398 1.00 0.00 C ATOM 874 CD ARG A 70 -4.869 3.311 -6.822 1.00 0.00 C ATOM 875 NE ARG A 70 -3.729 4.272 -6.812 1.00 0.00 N ATOM 876 CZ ARG A 70 -2.956 4.377 -7.859 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.192 3.649 -8.916 1.00 0.00 N ATOM 878 NH2 ARG A 70 -1.955 5.214 -7.855 1.00 0.00 N ATOM 0 H ARG A 70 -8.038 3.327 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.705 3.631 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.623 4.887 -5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.021 5.159 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.608 2.687 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.219 2.403 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.548 2.356 -7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.667 3.686 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.553 4.847 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.979 3.000 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.590 3.729 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.774 5.789 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.353 5.293 -8.675 1.00 0.00 H new ATOM 892 N GLU A 71 -7.590 6.335 -2.984 1.00 0.00 N ATOM 893 CA GLU A 71 -7.739 7.664 -2.323 1.00 0.00 C ATOM 894 C GLU A 71 -7.775 7.470 -0.807 1.00 0.00 C ATOM 895 O GLU A 71 -7.206 8.239 -0.058 1.00 0.00 O ATOM 896 CB GLU A 71 -9.034 8.336 -2.793 1.00 0.00 C ATOM 897 CG GLU A 71 -8.888 8.753 -4.257 1.00 0.00 C ATOM 898 CD GLU A 71 -10.178 9.425 -4.736 1.00 0.00 C ATOM 899 OE1 GLU A 71 -11.107 9.509 -3.950 1.00 0.00 O ATOM 900 OE2 GLU A 71 -10.214 9.841 -5.883 1.00 0.00 O ATOM 0 H GLU A 71 -8.343 6.072 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.895 8.300 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.874 7.650 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.249 9.208 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.048 9.438 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.671 7.881 -4.873 1.00 0.00 H new ATOM 907 N GLN A 72 -8.444 6.450 -0.353 1.00 0.00 N ATOM 908 CA GLN A 72 -8.527 6.202 1.114 1.00 0.00 C ATOM 909 C GLN A 72 -7.142 5.824 1.658 1.00 0.00 C ATOM 910 O GLN A 72 -6.777 6.199 2.754 1.00 0.00 O ATOM 911 CB GLN A 72 -9.505 5.051 1.384 1.00 0.00 C ATOM 912 CG GLN A 72 -10.930 5.468 0.998 1.00 0.00 C ATOM 913 CD GLN A 72 -11.387 6.638 1.873 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.216 6.615 3.075 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.965 7.666 1.317 1.00 0.00 N ATOM 0 H GLN A 72 -8.939 5.774 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.877 7.108 1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.209 4.170 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.472 4.775 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.962 5.755 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.610 4.625 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.109 7.686 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.273 8.450 1.892 1.00 0.00 H new ATOM 924 N VAL A 73 -6.375 5.074 0.912 1.00 0.00 N ATOM 925 CA VAL A 73 -5.026 4.664 1.406 1.00 0.00 C ATOM 926 C VAL A 73 -4.104 5.887 1.483 1.00 0.00 C ATOM 927 O VAL A 73 -3.417 6.097 2.463 1.00 0.00 O ATOM 928 CB VAL A 73 -4.425 3.640 0.437 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.984 3.323 0.848 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.259 2.358 0.465 1.00 0.00 C ATOM 0 H VAL A 73 -6.622 4.728 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.124 4.225 2.399 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.429 4.054 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.560 2.595 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.389 4.236 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.976 2.912 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.831 1.630 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.259 1.946 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.283 2.583 0.165 1.00 0.00 H new ATOM 940 N ILE A 74 -4.086 6.694 0.460 1.00 0.00 N ATOM 941 CA ILE A 74 -3.210 7.903 0.475 1.00 0.00 C ATOM 942 C ILE A 74 -3.606 8.801 1.649 1.00 0.00 C ATOM 943 O ILE A 74 -2.765 9.376 2.311 1.00 0.00 O ATOM 944 CB ILE A 74 -3.360 8.672 -0.848 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.918 7.789 -2.033 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.508 9.947 -0.816 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.483 7.275 -1.836 1.00 0.00 C ATOM 0 H ILE A 74 -4.640 6.570 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.170 7.597 0.589 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.409 8.941 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.599 6.944 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.979 8.361 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.621 10.484 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.836 10.583 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.461 9.681 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.198 6.656 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.801 8.122 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.431 6.683 -0.922 1.00 0.00 H new ATOM 959 N ALA A 75 -4.876 8.938 1.911 1.00 0.00 N ATOM 960 CA ALA A 75 -5.307 9.813 3.040 1.00 0.00 C ATOM 961 C ALA A 75 -4.679 9.313 4.343 1.00 0.00 C ATOM 962 O ALA A 75 -4.249 10.091 5.173 1.00 0.00 O ATOM 963 CB ALA A 75 -6.835 9.770 3.159 1.00 0.00 C ATOM 0 H ALA A 75 -5.631 8.485 1.396 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.984 10.837 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.154 10.408 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.282 10.125 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.157 8.746 3.348 1.00 0.00 H new ATOM 969 N HIS A 76 -4.622 8.023 4.536 1.00 0.00 N ATOM 970 CA HIS A 76 -4.022 7.495 5.793 1.00 0.00 C ATOM 971 C HIS A 76 -2.526 7.810 5.819 1.00 0.00 C ATOM 972 O HIS A 76 -1.979 8.171 6.838 1.00 0.00 O ATOM 973 CB HIS A 76 -4.233 5.980 5.877 1.00 0.00 C ATOM 974 CG HIS A 76 -4.001 5.521 7.293 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.856 5.385 8.040 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -5.042 5.139 8.125 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -3.180 4.927 9.313 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -4.509 4.795 9.310 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.962 7.317 3.883 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.506 7.969 6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.244 5.724 5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.549 5.468 5.200 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.091 5.121 7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.502 4.722 10.129 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.053 4.472 10.110 1.00 0.00 H new ATOM 986 N LEU A 77 -1.849 7.689 4.712 1.00 0.00 N ATOM 987 CA LEU A 77 -0.395 8.009 4.722 1.00 0.00 C ATOM 988 C LEU A 77 -0.238 9.470 5.131 1.00 0.00 C ATOM 989 O LEU A 77 0.638 9.821 5.897 1.00 0.00 O ATOM 990 CB LEU A 77 0.215 7.795 3.331 1.00 0.00 C ATOM 991 CG LEU A 77 0.064 6.328 2.898 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.527 6.181 1.446 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.917 5.414 3.797 1.00 0.00 C ATOM 0 H LEU A 77 -2.231 7.388 3.815 1.00 0.00 H new ATOM 0 HA LEU A 77 0.122 7.354 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.276 8.446 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.270 8.070 3.343 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.983 6.038 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.422 5.142 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.083 6.816 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.572 6.480 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.800 4.378 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.965 5.702 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.590 5.514 4.832 1.00 0.00 H new