USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 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 36 HIS : no HE2:sc= -1.93! C(o=-3.5!,f=-17!) USER MOD Set 1.2: A 60 TYR OH : rot -16:sc= -1.56! USER MOD Single : A 14 SER OG : rot 18:sc= 0.458 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0432 USER MOD Single : A 18 SER OG : rot 180:sc= 0.279 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 170:sc= -1.1 (180deg=-1.26) USER MOD Single : A 31 SER OG : rot 180:sc= -0.011 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0272 K(o=-0.027,f=-2.3!) USER MOD Single : A 42 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -151:sc= -0.202 (180deg=-1.25!) USER MOD Single : A 64 SER OG : rot -81:sc= 0.815 USER MOD Single : A 65 MET CE :methyl -161:sc= -4.38! (180deg=-5.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.17) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.275 F(o=-1.2,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 6.970 -0.085 -8.189 1.00 0.00 N ATOM 24 CA SER A 14 5.786 -0.847 -7.704 1.00 0.00 C ATOM 25 C SER A 14 5.536 -0.503 -6.238 1.00 0.00 C ATOM 26 O SER A 14 6.389 0.049 -5.570 1.00 0.00 O ATOM 27 CB SER A 14 6.046 -2.349 -7.842 1.00 0.00 C ATOM 28 OG SER A 14 6.720 -2.599 -9.066 1.00 0.00 O ATOM 0 HA SER A 14 4.912 -0.580 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.646 -2.704 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.104 -2.897 -7.814 1.00 0.00 H new ATOM 0 HG SER A 14 7.108 -1.764 -9.402 1.00 0.00 H new ATOM 34 N ILE A 15 4.375 -0.827 -5.730 1.00 0.00 N ATOM 35 CA ILE A 15 4.061 -0.526 -4.298 1.00 0.00 C ATOM 36 C ILE A 15 3.438 -1.767 -3.657 1.00 0.00 C ATOM 37 O ILE A 15 2.567 -2.397 -4.223 1.00 0.00 O ATOM 38 CB ILE A 15 3.068 0.635 -4.220 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.678 1.872 -4.887 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.776 0.949 -2.752 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.612 2.962 -5.026 1.00 0.00 C ATOM 0 H ILE A 15 3.627 -1.289 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 15 4.976 -0.252 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 15 2.145 0.361 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.515 2.242 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.074 1.610 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.069 1.776 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.349 0.070 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.702 1.225 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.049 3.840 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.790 2.591 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.237 3.232 -4.039 1.00 0.00 H new ATOM 53 N TRP A 16 3.881 -2.129 -2.483 1.00 0.00 N ATOM 54 CA TRP A 16 3.321 -3.336 -1.803 1.00 0.00 C ATOM 55 C TRP A 16 3.311 -3.092 -0.291 1.00 0.00 C ATOM 56 O TRP A 16 4.295 -2.660 0.274 1.00 0.00 O ATOM 57 CB TRP A 16 4.208 -4.542 -2.114 1.00 0.00 C ATOM 58 CG TRP A 16 4.297 -4.739 -3.596 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.084 -4.014 -4.429 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.606 -5.714 -4.435 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.916 -4.479 -5.721 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.018 -5.526 -5.777 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.670 -6.733 -4.169 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.524 -6.319 -6.814 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.172 -7.532 -5.210 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.599 -7.326 -6.529 1.00 0.00 C ATOM 0 H TRP A 16 4.609 -1.640 -1.963 1.00 0.00 H new ATOM 0 HA TRP A 16 2.307 -3.527 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.204 -4.389 -1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.800 -5.436 -1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.736 -3.205 -4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.397 -4.095 -6.534 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.333 -6.901 -3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.854 -6.155 -7.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.455 -8.310 -4.993 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.213 -7.946 -7.325 1.00 0.00 H new ATOM 77 N CYS A 17 2.207 -3.358 0.366 1.00 0.00 N ATOM 78 CA CYS A 17 2.130 -3.130 1.847 1.00 0.00 C ATOM 79 C CYS A 17 1.519 -4.350 2.542 1.00 0.00 C ATOM 80 O CYS A 17 0.680 -5.040 1.995 1.00 0.00 O ATOM 81 CB CYS A 17 1.255 -1.906 2.120 1.00 0.00 C ATOM 82 SG CYS A 17 2.088 -0.426 1.496 1.00 0.00 S ATOM 0 H CYS A 17 1.355 -3.723 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 17 3.136 -2.968 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.285 -2.023 1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.069 -1.809 3.190 1.00 0.00 H new ATOM 0 HG CYS A 17 1.347 0.618 1.724 1.00 0.00 H new ATOM 88 N SER A 18 1.931 -4.610 3.753 1.00 0.00 N ATOM 89 CA SER A 18 1.382 -5.769 4.512 1.00 0.00 C ATOM 90 C SER A 18 -0.054 -5.437 4.934 1.00 0.00 C ATOM 91 O SER A 18 -0.483 -4.303 4.833 1.00 0.00 O ATOM 92 CB SER A 18 2.265 -6.010 5.752 1.00 0.00 C ATOM 93 OG SER A 18 1.508 -5.799 6.940 1.00 0.00 O ATOM 0 H SER A 18 2.632 -4.063 4.253 1.00 0.00 H new ATOM 0 HA SER A 18 1.377 -6.670 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.657 -7.027 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.123 -5.338 5.734 1.00 0.00 H new ATOM 0 HG SER A 18 2.077 -5.956 7.722 1.00 0.00 H new ATOM 99 N PRO A 19 -0.801 -6.409 5.391 1.00 0.00 N ATOM 100 CA PRO A 19 -2.209 -6.184 5.814 1.00 0.00 C ATOM 101 C PRO A 19 -2.281 -5.346 7.087 1.00 0.00 C ATOM 102 O PRO A 19 -3.259 -4.677 7.349 1.00 0.00 O ATOM 103 CB PRO A 19 -2.758 -7.598 6.046 1.00 0.00 C ATOM 104 CG PRO A 19 -1.556 -8.429 6.361 1.00 0.00 C ATOM 105 CD PRO A 19 -0.396 -7.816 5.566 1.00 0.00 C ATOM 0 HA PRO A 19 -2.783 -5.630 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.476 -7.614 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.276 -7.971 5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.344 -8.419 7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.716 -9.469 6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.547 -7.897 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.259 -8.316 4.607 1.00 0.00 H new ATOM 113 N GLN A 20 -1.242 -5.362 7.872 1.00 0.00 N ATOM 114 CA GLN A 20 -1.246 -4.553 9.112 1.00 0.00 C ATOM 115 C GLN A 20 -1.423 -3.085 8.735 1.00 0.00 C ATOM 116 O GLN A 20 -2.154 -2.352 9.371 1.00 0.00 O ATOM 117 CB GLN A 20 0.083 -4.754 9.837 1.00 0.00 C ATOM 118 CG GLN A 20 0.147 -6.174 10.401 1.00 0.00 C ATOM 119 CD GLN A 20 1.487 -6.383 11.106 1.00 0.00 C ATOM 120 OE1 GLN A 20 1.973 -5.500 11.785 1.00 0.00 O ATOM 121 NE2 GLN A 20 2.107 -7.523 10.973 1.00 0.00 N ATOM 0 H GLN A 20 -0.392 -5.901 7.706 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.061 -4.859 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.913 -4.586 9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.184 -4.027 10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.673 -6.336 11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.029 -6.901 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.697 -8.263 10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.001 -7.675 11.439 1.00 0.00 H new ATOM 130 N GLU A 21 -0.782 -2.654 7.684 1.00 0.00 N ATOM 131 CA GLU A 21 -0.943 -1.241 7.257 1.00 0.00 C ATOM 132 C GLU A 21 -2.363 -1.053 6.732 1.00 0.00 C ATOM 133 O GLU A 21 -3.013 -0.064 7.004 1.00 0.00 O ATOM 134 CB GLU A 21 0.056 -0.926 6.144 1.00 0.00 C ATOM 135 CG GLU A 21 1.472 -0.898 6.718 1.00 0.00 C ATOM 136 CD GLU A 21 2.468 -0.585 5.600 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.452 0.535 5.118 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.225 -1.471 5.244 1.00 0.00 O ATOM 0 H GLU A 21 -0.158 -3.217 7.107 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.762 -0.573 8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.013 -1.676 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.182 0.036 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.543 -0.146 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.710 -1.859 7.174 1.00 0.00 H new ATOM 145 N ILE A 22 -2.852 -2.003 5.978 1.00 0.00 N ATOM 146 CA ILE A 22 -4.233 -1.881 5.437 1.00 0.00 C ATOM 147 C ILE A 22 -5.240 -2.029 6.582 1.00 0.00 C ATOM 148 O ILE A 22 -6.160 -1.247 6.712 1.00 0.00 O ATOM 149 CB ILE A 22 -4.481 -2.974 4.393 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.431 -2.860 3.281 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.874 -2.784 3.784 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.515 -4.075 2.350 1.00 0.00 C ATOM 0 H ILE A 22 -2.355 -2.854 5.716 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.352 -0.905 4.967 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.414 -3.953 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.591 -1.944 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.434 -2.794 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.055 -3.560 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.627 -2.852 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.933 -1.805 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.765 -3.984 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.333 -4.985 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.507 -4.121 1.901 1.00 0.00 H new ATOM 164 N MET A 23 -5.091 -3.043 7.399 1.00 0.00 N ATOM 165 CA MET A 23 -6.055 -3.269 8.516 1.00 0.00 C ATOM 166 C MET A 23 -6.230 -1.993 9.345 1.00 0.00 C ATOM 167 O MET A 23 -7.266 -1.778 9.944 1.00 0.00 O ATOM 168 CB MET A 23 -5.516 -4.406 9.406 1.00 0.00 C ATOM 169 CG MET A 23 -6.650 -5.073 10.198 1.00 0.00 C ATOM 170 SD MET A 23 -7.071 -4.051 11.632 1.00 0.00 S ATOM 171 CE MET A 23 -5.913 -4.807 12.799 1.00 0.00 C ATOM 0 H MET A 23 -4.337 -3.727 7.338 1.00 0.00 H new ATOM 0 HA MET A 23 -7.028 -3.541 8.107 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.014 -5.150 8.787 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.771 -4.010 10.096 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.525 -5.202 9.561 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.344 -6.067 10.524 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.005 -4.320 13.770 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.141 -5.868 12.902 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.895 -4.689 12.429 1.00 0.00 H new ATOM 181 N ALA A 24 -5.247 -1.141 9.391 1.00 0.00 N ATOM 182 CA ALA A 24 -5.404 0.109 10.189 1.00 0.00 C ATOM 183 C ALA A 24 -6.227 1.120 9.386 1.00 0.00 C ATOM 184 O ALA A 24 -6.596 2.166 9.881 1.00 0.00 O ATOM 185 CB ALA A 24 -4.029 0.706 10.492 1.00 0.00 C ATOM 0 H ALA A 24 -4.350 -1.251 8.917 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.912 -0.122 11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.149 1.619 11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.438 -0.012 11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.519 0.937 9.557 1.00 0.00 H new ATOM 191 N ALA A 25 -6.523 0.819 8.148 1.00 0.00 N ATOM 192 CA ALA A 25 -7.326 1.766 7.321 1.00 0.00 C ATOM 193 C ALA A 25 -8.813 1.570 7.616 1.00 0.00 C ATOM 194 O ALA A 25 -9.340 0.481 7.498 1.00 0.00 O ATOM 195 CB ALA A 25 -7.068 1.497 5.840 1.00 0.00 C ATOM 0 H ALA A 25 -6.243 -0.041 7.675 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.037 2.789 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.655 2.189 5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.009 1.636 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.356 0.473 5.601 1.00 0.00 H new ATOM 201 N ASP A 26 -9.495 2.616 7.991 1.00 0.00 N ATOM 202 CA ASP A 26 -10.949 2.486 8.285 1.00 0.00 C ATOM 203 C ASP A 26 -11.689 2.061 7.016 1.00 0.00 C ATOM 204 O ASP A 26 -12.735 1.446 7.070 1.00 0.00 O ATOM 205 CB ASP A 26 -11.495 3.829 8.767 1.00 0.00 C ATOM 206 CG ASP A 26 -11.293 4.886 7.679 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.393 4.714 6.874 1.00 0.00 O ATOM 208 OD2 ASP A 26 -12.047 5.845 7.667 1.00 0.00 O ATOM 0 H ASP A 26 -9.109 3.553 8.106 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.096 1.735 9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.554 3.737 9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.986 4.133 9.682 1.00 0.00 H new ATOM 213 N GLY A 27 -11.153 2.388 5.872 1.00 0.00 N ATOM 214 CA GLY A 27 -11.823 2.007 4.594 1.00 0.00 C ATOM 215 C GLY A 27 -11.834 0.484 4.458 1.00 0.00 C ATOM 216 O GLY A 27 -12.501 -0.067 3.605 1.00 0.00 O ATOM 0 H GLY A 27 -10.279 2.903 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.843 2.392 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.299 2.454 3.749 1.00 0.00 H new ATOM 220 N MET A 28 -11.092 -0.197 5.293 1.00 0.00 N ATOM 221 CA MET A 28 -11.038 -1.693 5.233 1.00 0.00 C ATOM 222 C MET A 28 -11.239 -2.248 6.650 1.00 0.00 C ATOM 223 O MET A 28 -10.283 -2.592 7.317 1.00 0.00 O ATOM 224 CB MET A 28 -9.666 -2.143 4.710 1.00 0.00 C ATOM 225 CG MET A 28 -9.294 -1.350 3.458 1.00 0.00 C ATOM 226 SD MET A 28 -10.391 -1.828 2.106 1.00 0.00 S ATOM 227 CE MET A 28 -9.581 -0.843 0.831 1.00 0.00 C ATOM 0 H MET A 28 -10.515 0.222 6.022 1.00 0.00 H new ATOM 0 HA MET A 28 -11.817 -2.062 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.909 -1.997 5.480 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.687 -3.209 4.482 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.380 -0.281 3.651 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.256 -1.543 3.186 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.980 -1.114 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.764 0.215 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.508 -1.034 0.850 1.00 0.00 H new ATOM 237 N PRO A 29 -12.462 -2.321 7.125 1.00 0.00 N ATOM 238 CA PRO A 29 -12.750 -2.824 8.501 1.00 0.00 C ATOM 239 C PRO A 29 -12.650 -4.343 8.601 1.00 0.00 C ATOM 240 O PRO A 29 -12.781 -5.052 7.623 1.00 0.00 O ATOM 241 CB PRO A 29 -14.188 -2.374 8.753 1.00 0.00 C ATOM 242 CG PRO A 29 -14.812 -2.364 7.397 1.00 0.00 C ATOM 243 CD PRO A 29 -13.705 -1.943 6.422 1.00 0.00 C ATOM 0 HA PRO A 29 -12.033 -2.441 9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.707 -3.057 9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.221 -1.387 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.203 -3.349 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.650 -1.668 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.797 -2.457 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.739 -0.874 6.214 1.00 0.00 H new ATOM 251 N GLY A 30 -12.405 -4.840 9.784 1.00 0.00 N ATOM 252 CA GLY A 30 -12.275 -6.309 9.992 1.00 0.00 C ATOM 253 C GLY A 30 -10.864 -6.582 10.487 1.00 0.00 C ATOM 254 O GLY A 30 -9.973 -5.775 10.305 1.00 0.00 O ATOM 0 H GLY A 30 -12.288 -4.279 10.628 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.009 -6.659 10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.465 -6.845 9.062 1.00 0.00 H new ATOM 258 N SER A 31 -10.638 -7.693 11.116 1.00 0.00 N ATOM 259 CA SER A 31 -9.272 -7.983 11.620 1.00 0.00 C ATOM 260 C SER A 31 -8.355 -8.274 10.439 1.00 0.00 C ATOM 261 O SER A 31 -8.674 -7.973 9.305 1.00 0.00 O ATOM 262 CB SER A 31 -9.319 -9.200 12.541 1.00 0.00 C ATOM 263 OG SER A 31 -9.400 -10.383 11.754 1.00 0.00 O ATOM 0 H SER A 31 -11.336 -8.413 11.304 1.00 0.00 H new ATOM 0 HA SER A 31 -8.894 -7.124 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.430 -9.229 13.170 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.179 -9.133 13.207 1.00 0.00 H new ATOM 0 HG SER A 31 -9.429 -11.166 12.343 1.00 0.00 H new ATOM 269 N VAL A 32 -7.216 -8.851 10.687 1.00 0.00 N ATOM 270 CA VAL A 32 -6.289 -9.144 9.567 1.00 0.00 C ATOM 271 C VAL A 32 -7.024 -10.012 8.545 1.00 0.00 C ATOM 272 O VAL A 32 -7.112 -9.674 7.380 1.00 0.00 O ATOM 273 CB VAL A 32 -5.068 -9.892 10.102 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.093 -10.146 8.960 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.380 -9.050 11.181 1.00 0.00 C ATOM 0 H VAL A 32 -6.889 -9.131 11.612 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.958 -8.218 9.096 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.384 -10.842 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.221 -10.679 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.581 -10.746 8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.779 -9.194 8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.510 -9.586 11.561 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.063 -8.099 10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.077 -8.865 11.998 1.00 0.00 H new ATOM 285 N ALA A 33 -7.564 -11.123 8.972 1.00 0.00 N ATOM 286 CA ALA A 33 -8.307 -12.004 8.029 1.00 0.00 C ATOM 287 C ALA A 33 -9.531 -11.259 7.490 1.00 0.00 C ATOM 288 O ALA A 33 -9.879 -11.372 6.332 1.00 0.00 O ATOM 289 CB ALA A 33 -8.755 -13.272 8.761 1.00 0.00 C ATOM 0 H ALA A 33 -7.522 -11.457 9.935 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.657 -12.278 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.299 -13.917 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.881 -13.801 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.405 -13.001 9.593 1.00 0.00 H new ATOM 295 N GLY A 34 -10.196 -10.498 8.316 1.00 0.00 N ATOM 296 CA GLY A 34 -11.395 -9.757 7.830 1.00 0.00 C ATOM 297 C GLY A 34 -11.029 -9.003 6.554 1.00 0.00 C ATOM 298 O GLY A 34 -11.772 -8.993 5.593 1.00 0.00 O ATOM 0 H GLY A 34 -9.964 -10.358 9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.213 -10.450 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.742 -9.060 8.593 1.00 0.00 H new ATOM 302 N VAL A 35 -9.878 -8.393 6.529 1.00 0.00 N ATOM 303 CA VAL A 35 -9.453 -7.668 5.303 1.00 0.00 C ATOM 304 C VAL A 35 -9.303 -8.692 4.171 1.00 0.00 C ATOM 305 O VAL A 35 -9.704 -8.462 3.047 1.00 0.00 O ATOM 306 CB VAL A 35 -8.103 -6.996 5.562 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.529 -6.456 4.248 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.294 -5.837 6.542 1.00 0.00 C ATOM 0 H VAL A 35 -9.215 -8.366 7.304 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.188 -6.910 5.032 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.413 -7.727 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.568 -5.979 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.392 -7.278 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.218 -5.726 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.334 -5.356 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.987 -5.111 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.698 -6.217 7.480 1.00 0.00 H new ATOM 318 N HIS A 36 -8.725 -9.824 4.476 1.00 0.00 N ATOM 319 CA HIS A 36 -8.535 -10.885 3.444 1.00 0.00 C ATOM 320 C HIS A 36 -9.896 -11.333 2.912 1.00 0.00 C ATOM 321 O HIS A 36 -10.045 -11.652 1.748 1.00 0.00 O ATOM 322 CB HIS A 36 -7.819 -12.090 4.065 1.00 0.00 C ATOM 323 CG HIS A 36 -6.391 -11.731 4.372 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.054 -10.824 5.365 1.00 0.00 N ATOM 325 CD2 HIS A 36 -5.202 -12.159 3.838 1.00 0.00 C ATOM 326 CE1 HIS A 36 -4.711 -10.737 5.397 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.142 -11.531 4.485 1.00 0.00 N ATOM 0 H HIS A 36 -8.374 -10.061 5.404 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.934 -10.484 2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.330 -12.398 4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.851 -12.937 3.380 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.705 -10.315 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.103 -12.876 3.036 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.161 -10.103 6.077 1.00 0.00 H new ATOM 335 N TYR A 37 -10.885 -11.394 3.761 1.00 0.00 N ATOM 336 CA TYR A 37 -12.225 -11.857 3.306 1.00 0.00 C ATOM 337 C TYR A 37 -12.755 -10.944 2.197 1.00 0.00 C ATOM 338 O TYR A 37 -13.178 -11.408 1.158 1.00 0.00 O ATOM 339 CB TYR A 37 -13.199 -11.836 4.482 1.00 0.00 C ATOM 340 CG TYR A 37 -14.524 -12.399 4.033 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.504 -11.553 3.494 1.00 0.00 C ATOM 342 CD2 TYR A 37 -14.770 -13.771 4.149 1.00 0.00 C ATOM 343 CE1 TYR A 37 -16.729 -12.083 3.074 1.00 0.00 C ATOM 344 CE2 TYR A 37 -15.994 -14.301 3.727 1.00 0.00 C ATOM 345 CZ TYR A 37 -16.974 -13.457 3.190 1.00 0.00 C ATOM 346 OH TYR A 37 -18.181 -13.980 2.774 1.00 0.00 O ATOM 0 H TYR A 37 -10.823 -11.144 4.748 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.132 -12.872 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.802 -12.423 5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.327 -10.817 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.313 -10.494 3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.015 -14.422 4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.485 -11.433 2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.183 -15.361 3.815 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.187 -14.949 2.923 1.00 0.00 H new ATOM 356 N ARG A 38 -12.739 -9.658 2.399 1.00 0.00 N ATOM 357 CA ARG A 38 -13.246 -8.740 1.337 1.00 0.00 C ATOM 358 C ARG A 38 -12.390 -8.918 0.081 1.00 0.00 C ATOM 359 O ARG A 38 -12.883 -8.914 -1.030 1.00 0.00 O ATOM 360 CB ARG A 38 -13.165 -7.289 1.817 1.00 0.00 C ATOM 361 CG ARG A 38 -13.874 -6.379 0.809 1.00 0.00 C ATOM 362 CD ARG A 38 -13.794 -4.924 1.283 1.00 0.00 C ATOM 363 NE ARG A 38 -14.631 -4.060 0.401 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.931 -2.843 0.770 1.00 0.00 C ATOM 365 NH1 ARG A 38 -14.462 -2.364 1.892 1.00 0.00 N ATOM 366 NH2 ARG A 38 -15.693 -2.102 0.011 1.00 0.00 N ATOM 0 H ARG A 38 -12.400 -9.202 3.246 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.286 -8.977 1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.628 -7.193 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.123 -6.988 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.412 -6.478 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.916 -6.680 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.138 -4.848 2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.759 -4.583 1.266 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.970 -4.420 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.861 -2.940 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.697 -1.414 2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.053 -2.474 -0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.928 -1.152 0.297 1.00 0.00 H new ATOM 380 N ALA A 39 -11.107 -9.065 0.254 1.00 0.00 N ATOM 381 CA ALA A 39 -10.204 -9.243 -0.916 1.00 0.00 C ATOM 382 C ALA A 39 -10.370 -10.657 -1.471 1.00 0.00 C ATOM 383 O ALA A 39 -9.754 -11.026 -2.452 1.00 0.00 O ATOM 384 CB ALA A 39 -8.755 -9.034 -0.472 1.00 0.00 C ATOM 0 H ALA A 39 -10.642 -9.070 1.162 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.456 -8.517 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.090 -9.164 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.639 -8.027 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.502 -9.762 0.298 1.00 0.00 H new ATOM 390 N ASN A 40 -11.209 -11.448 -0.862 1.00 0.00 N ATOM 391 CA ASN A 40 -11.421 -12.831 -1.371 1.00 0.00 C ATOM 392 C ASN A 40 -12.300 -12.784 -2.629 1.00 0.00 C ATOM 393 O ASN A 40 -11.956 -13.333 -3.656 1.00 0.00 O ATOM 394 CB ASN A 40 -12.108 -13.678 -0.297 1.00 0.00 C ATOM 395 CG ASN A 40 -11.998 -15.156 -0.676 1.00 0.00 C ATOM 396 OD1 ASN A 40 -11.233 -15.512 -1.550 1.00 0.00 O ATOM 397 ND2 ASN A 40 -12.728 -16.040 -0.052 1.00 0.00 N ATOM 0 H ASN A 40 -11.755 -11.198 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.457 -13.276 -1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.643 -13.503 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.155 -13.391 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.655 -17.027 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.371 -15.744 0.682 1.00 0.00 H new ATOM 404 N VAL A 41 -13.434 -12.134 -2.554 1.00 0.00 N ATOM 405 CA VAL A 41 -14.331 -12.060 -3.747 1.00 0.00 C ATOM 406 C VAL A 41 -13.682 -11.169 -4.807 1.00 0.00 C ATOM 407 O VAL A 41 -13.735 -11.452 -5.989 1.00 0.00 O ATOM 408 CB VAL A 41 -15.690 -11.472 -3.339 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.538 -11.197 -4.587 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.426 -12.469 -2.440 1.00 0.00 C ATOM 0 H VAL A 41 -13.776 -11.653 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.484 -13.060 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.527 -10.538 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.500 -10.780 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.019 -10.487 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.699 -12.128 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.391 -12.053 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.581 -13.402 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.831 -12.663 -1.548 1.00 0.00 H new ATOM 420 N GLN A 42 -13.074 -10.093 -4.394 1.00 0.00 N ATOM 421 CA GLN A 42 -12.424 -9.182 -5.374 1.00 0.00 C ATOM 422 C GLN A 42 -11.099 -9.796 -5.829 1.00 0.00 C ATOM 423 O GLN A 42 -10.503 -10.594 -5.131 1.00 0.00 O ATOM 424 CB GLN A 42 -12.170 -7.824 -4.718 1.00 0.00 C ATOM 425 CG GLN A 42 -13.511 -7.137 -4.441 1.00 0.00 C ATOM 426 CD GLN A 42 -14.161 -6.730 -5.764 1.00 0.00 C ATOM 427 OE1 GLN A 42 -13.698 -5.824 -6.429 1.00 0.00 O ATOM 428 NE2 GLN A 42 -15.215 -7.377 -6.186 1.00 0.00 N ATOM 0 H GLN A 42 -12.999 -9.805 -3.418 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.075 -9.044 -6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.616 -7.954 -3.788 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.557 -7.201 -5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.170 -7.810 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.359 -6.259 -3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.604 -8.137 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.649 -7.122 -7.073 1.00 0.00 H new ATOM 437 N GLY A 43 -10.639 -9.444 -7.000 1.00 0.00 N ATOM 438 CA GLY A 43 -9.360 -10.018 -7.517 1.00 0.00 C ATOM 439 C GLY A 43 -8.191 -9.086 -7.187 1.00 0.00 C ATOM 440 O GLY A 43 -7.540 -8.558 -8.066 1.00 0.00 O ATOM 0 H GLY A 43 -11.096 -8.780 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.188 -10.999 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.427 -10.162 -8.595 1.00 0.00 H new ATOM 444 N TRP A 44 -7.912 -8.887 -5.928 1.00 0.00 N ATOM 445 CA TRP A 44 -6.776 -7.997 -5.545 1.00 0.00 C ATOM 446 C TRP A 44 -5.457 -8.673 -5.924 1.00 0.00 C ATOM 447 O TRP A 44 -5.345 -9.883 -5.920 1.00 0.00 O ATOM 448 CB TRP A 44 -6.785 -7.763 -4.026 1.00 0.00 C ATOM 449 CG TRP A 44 -7.791 -6.722 -3.661 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.926 -6.453 -4.344 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.763 -5.810 -2.528 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.602 -5.433 -3.696 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.924 -5.004 -2.569 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.851 -5.609 -1.474 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.171 -4.032 -1.599 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.095 -4.633 -0.498 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.253 -3.846 -0.560 1.00 0.00 C ATOM 0 H TRP A 44 -8.421 -9.301 -5.147 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.879 -7.045 -6.065 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.015 -8.695 -3.510 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.794 -7.451 -3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.252 -6.951 -5.245 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.491 -5.045 -4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.957 -6.212 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.065 -3.428 -1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.388 -4.487 0.305 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.437 -3.096 0.195 1.00 0.00 H new ATOM 468 N THR A 45 -4.447 -7.902 -6.218 1.00 0.00 N ATOM 469 CA THR A 45 -3.131 -8.506 -6.557 1.00 0.00 C ATOM 470 C THR A 45 -2.498 -8.985 -5.248 1.00 0.00 C ATOM 471 O THR A 45 -2.394 -8.233 -4.296 1.00 0.00 O ATOM 472 CB THR A 45 -2.249 -7.447 -7.238 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.647 -7.310 -8.596 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.770 -7.849 -7.178 1.00 0.00 C ATOM 0 H THR A 45 -4.477 -6.883 -6.238 1.00 0.00 H new ATOM 0 HA THR A 45 -3.241 -9.345 -7.244 1.00 0.00 H new ATOM 0 HB THR A 45 -2.372 -6.499 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.088 -6.634 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.165 -7.085 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.461 -7.946 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.631 -8.802 -7.688 1.00 0.00 H new ATOM 482 N LYS A 46 -2.112 -10.236 -5.176 1.00 0.00 N ATOM 483 CA LYS A 46 -1.529 -10.772 -3.903 1.00 0.00 C ATOM 484 C LYS A 46 -0.273 -11.590 -4.192 1.00 0.00 C ATOM 485 O LYS A 46 -0.144 -12.210 -5.229 1.00 0.00 O ATOM 486 CB LYS A 46 -2.558 -11.697 -3.254 1.00 0.00 C ATOM 487 CG LYS A 46 -3.841 -10.914 -2.968 1.00 0.00 C ATOM 488 CD LYS A 46 -4.887 -11.830 -2.315 1.00 0.00 C ATOM 489 CE LYS A 46 -5.229 -13.007 -3.242 1.00 0.00 C ATOM 490 NZ LYS A 46 -6.596 -13.507 -2.919 1.00 0.00 N ATOM 0 H LYS A 46 -2.175 -10.908 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.274 -9.938 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.772 -12.539 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.158 -12.111 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.623 -10.072 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.237 -10.500 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.507 -12.207 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.790 -11.260 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.182 -12.690 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.498 -13.806 -3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.831 -14.304 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.625 -13.824 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.287 -12.742 -3.058 1.00 0.00 H new ATOM 504 N ARG A 47 0.644 -11.620 -3.259 1.00 0.00 N ATOM 505 CA ARG A 47 1.889 -12.422 -3.450 1.00 0.00 C ATOM 506 C ARG A 47 2.307 -13.031 -2.109 1.00 0.00 C ATOM 507 O ARG A 47 2.325 -12.369 -1.088 1.00 0.00 O ATOM 508 CB ARG A 47 3.010 -11.532 -4.002 1.00 0.00 C ATOM 509 CG ARG A 47 3.305 -10.382 -3.037 1.00 0.00 C ATOM 510 CD ARG A 47 4.334 -9.440 -3.671 1.00 0.00 C ATOM 511 NE ARG A 47 5.681 -10.078 -3.646 1.00 0.00 N ATOM 512 CZ ARG A 47 6.640 -9.608 -4.399 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.414 -8.585 -5.177 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.823 -10.159 -4.375 1.00 0.00 N ATOM 0 H ARG A 47 0.583 -11.122 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 47 1.700 -13.222 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.911 -12.126 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.721 -11.134 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.388 -9.838 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.685 -10.773 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.048 -9.211 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.359 -8.495 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 47 5.854 -10.881 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.490 -8.154 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.161 -8.217 -5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.001 -10.959 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.570 -9.790 -4.964 1.00 0.00 H new ATOM 678 N VAL A 58 1.999 -11.993 3.436 1.00 0.00 N ATOM 679 CA VAL A 58 1.034 -11.652 2.343 1.00 0.00 C ATOM 680 C VAL A 58 1.062 -10.143 2.096 1.00 0.00 C ATOM 681 O VAL A 58 1.027 -9.359 3.021 1.00 0.00 O ATOM 682 CB VAL A 58 -0.378 -12.073 2.769 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.771 -11.341 4.061 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.374 -11.727 1.653 1.00 0.00 C ATOM 0 HA VAL A 58 1.313 -12.176 1.429 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.396 -13.148 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.775 -11.643 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.065 -11.595 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.752 -10.265 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.378 -12.026 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.355 -10.653 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.097 -12.256 0.741 1.00 0.00 H new ATOM 694 N GLU A 59 1.134 -9.732 0.853 1.00 0.00 N ATOM 695 CA GLU A 59 1.169 -8.266 0.533 1.00 0.00 C ATOM 696 C GLU A 59 0.162 -7.963 -0.582 1.00 0.00 C ATOM 697 O GLU A 59 -0.175 -8.819 -1.378 1.00 0.00 O ATOM 698 CB GLU A 59 2.577 -7.881 0.072 1.00 0.00 C ATOM 699 CG GLU A 59 3.555 -7.976 1.250 1.00 0.00 C ATOM 700 CD GLU A 59 3.868 -9.445 1.546 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.485 -10.286 0.749 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.482 -9.706 2.568 1.00 0.00 O ATOM 0 H GLU A 59 1.170 -10.349 0.042 1.00 0.00 H new ATOM 0 HA GLU A 59 0.908 -7.691 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.899 -8.541 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.574 -6.867 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.474 -7.439 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.124 -7.502 2.132 1.00 0.00 H new ATOM 709 N TYR A 60 -0.330 -6.744 -0.629 1.00 0.00 N ATOM 710 CA TYR A 60 -1.335 -6.350 -1.669 1.00 0.00 C ATOM 711 C TYR A 60 -0.813 -5.138 -2.445 1.00 0.00 C ATOM 712 O TYR A 60 -0.234 -4.234 -1.875 1.00 0.00 O ATOM 713 CB TYR A 60 -2.635 -5.966 -0.962 1.00 0.00 C ATOM 714 CG TYR A 60 -3.115 -7.140 -0.150 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.667 -7.306 1.165 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.002 -8.063 -0.710 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.108 -8.397 1.920 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.443 -9.154 0.047 1.00 0.00 C ATOM 719 CZ TYR A 60 -3.995 -9.320 1.361 1.00 0.00 C ATOM 720 OH TYR A 60 -4.428 -10.395 2.104 1.00 0.00 O ATOM 0 H TYR A 60 -0.074 -5.998 0.018 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.506 -7.177 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.472 -5.103 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.391 -5.679 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.981 -6.592 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.347 -7.935 -1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.763 -8.526 2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.129 -9.868 -0.384 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.844 -10.511 2.882 1.00 0.00 H new ATOM 730 N ASP A 61 -1.015 -5.106 -3.737 1.00 0.00 N ATOM 731 CA ASP A 61 -0.531 -3.942 -4.548 1.00 0.00 C ATOM 732 C ASP A 61 -1.681 -2.953 -4.750 1.00 0.00 C ATOM 733 O ASP A 61 -2.637 -3.232 -5.446 1.00 0.00 O ATOM 734 CB ASP A 61 -0.035 -4.431 -5.911 1.00 0.00 C ATOM 735 CG ASP A 61 0.668 -3.284 -6.636 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.467 -2.149 -6.240 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.397 -3.560 -7.576 1.00 0.00 O ATOM 0 H ASP A 61 -1.494 -5.834 -4.268 1.00 0.00 H new ATOM 0 HA ASP A 61 0.288 -3.451 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.650 -5.269 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.873 -4.793 -6.507 1.00 0.00 H new ATOM 742 N VAL A 62 -1.597 -1.795 -4.149 1.00 0.00 N ATOM 743 CA VAL A 62 -2.681 -0.783 -4.305 1.00 0.00 C ATOM 744 C VAL A 62 -2.736 -0.313 -5.764 1.00 0.00 C ATOM 745 O VAL A 62 -3.720 0.234 -6.216 1.00 0.00 O ATOM 746 CB VAL A 62 -2.392 0.410 -3.384 1.00 0.00 C ATOM 747 CG1 VAL A 62 -3.640 1.293 -3.264 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.996 -0.105 -1.997 1.00 0.00 C ATOM 0 H VAL A 62 -0.820 -1.506 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.640 -1.225 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.577 0.999 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.427 2.137 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.921 1.661 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.460 0.709 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.790 0.740 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.812 -0.697 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.104 -0.726 -2.080 1.00 0.00 H new ATOM 758 N MET A 63 -1.678 -0.513 -6.503 1.00 0.00 N ATOM 759 CA MET A 63 -1.665 -0.063 -7.926 1.00 0.00 C ATOM 760 C MET A 63 -2.607 -0.947 -8.745 1.00 0.00 C ATOM 761 O MET A 63 -2.821 -0.721 -9.920 1.00 0.00 O ATOM 762 CB MET A 63 -0.245 -0.180 -8.478 1.00 0.00 C ATOM 763 CG MET A 63 0.692 0.699 -7.650 1.00 0.00 C ATOM 764 SD MET A 63 0.286 2.442 -7.925 1.00 0.00 S ATOM 765 CE MET A 63 0.816 2.551 -9.654 1.00 0.00 C ATOM 0 H MET A 63 -0.823 -0.968 -6.184 1.00 0.00 H new ATOM 0 HA MET A 63 -1.996 0.974 -7.988 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.086 -1.218 -8.444 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.222 0.128 -9.523 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.596 0.455 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.728 0.508 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.140 3.569 -9.872 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.643 1.862 -9.825 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.016 2.288 -10.307 1.00 0.00 H new ATOM 775 N SER A 64 -3.181 -1.945 -8.120 1.00 0.00 N ATOM 776 CA SER A 64 -4.132 -2.858 -8.831 1.00 0.00 C ATOM 777 C SER A 64 -5.548 -2.606 -8.305 1.00 0.00 C ATOM 778 O SER A 64 -6.526 -2.955 -8.936 1.00 0.00 O ATOM 779 CB SER A 64 -3.738 -4.312 -8.551 1.00 0.00 C ATOM 780 OG SER A 64 -3.742 -4.537 -7.147 1.00 0.00 O ATOM 0 H SER A 64 -3.030 -2.169 -7.136 1.00 0.00 H new ATOM 0 HA SER A 64 -4.097 -2.671 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.435 -4.991 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.750 -4.519 -8.961 1.00 0.00 H new ATOM 0 HG SER A 64 -2.902 -4.211 -6.761 1.00 0.00 H new ATOM 786 N MET A 65 -5.666 -1.994 -7.155 1.00 0.00 N ATOM 787 CA MET A 65 -7.018 -1.709 -6.588 1.00 0.00 C ATOM 788 C MET A 65 -7.612 -0.460 -7.263 1.00 0.00 C ATOM 789 O MET A 65 -6.883 0.428 -7.657 1.00 0.00 O ATOM 790 CB MET A 65 -6.894 -1.455 -5.086 1.00 0.00 C ATOM 791 CG MET A 65 -6.437 -2.735 -4.390 1.00 0.00 C ATOM 792 SD MET A 65 -6.172 -2.403 -2.631 1.00 0.00 S ATOM 793 CE MET A 65 -4.819 -3.576 -2.375 1.00 0.00 C ATOM 0 H MET A 65 -4.883 -1.679 -6.583 1.00 0.00 H new ATOM 0 HA MET A 65 -7.670 -2.564 -6.767 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.181 -0.652 -4.900 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.852 -1.130 -4.681 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.186 -3.517 -4.515 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.516 -3.100 -4.845 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.719 -3.789 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.032 -4.500 -2.912 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.889 -3.146 -2.748 1.00 0.00 H new ATOM 803 N PRO A 66 -8.924 -0.367 -7.384 1.00 0.00 N ATOM 804 CA PRO A 66 -9.578 0.823 -8.005 1.00 0.00 C ATOM 805 C PRO A 66 -8.954 2.138 -7.515 1.00 0.00 C ATOM 806 O PRO A 66 -8.338 2.188 -6.469 1.00 0.00 O ATOM 807 CB PRO A 66 -11.040 0.717 -7.550 1.00 0.00 C ATOM 808 CG PRO A 66 -11.278 -0.746 -7.326 1.00 0.00 C ATOM 809 CD PRO A 66 -9.921 -1.370 -6.953 1.00 0.00 C ATOM 0 HA PRO A 66 -9.464 0.833 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.210 1.288 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.717 1.115 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.006 -0.901 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.684 -1.213 -8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.853 -1.563 -5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.770 -2.324 -7.459 1.00 0.00 H new ATOM 817 N THR A 67 -9.110 3.202 -8.258 1.00 0.00 N ATOM 818 CA THR A 67 -8.526 4.504 -7.826 1.00 0.00 C ATOM 819 C THR A 67 -9.181 4.957 -6.518 1.00 0.00 C ATOM 820 O THR A 67 -8.526 5.473 -5.635 1.00 0.00 O ATOM 821 CB THR A 67 -8.761 5.559 -8.913 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.139 5.137 -10.118 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.165 6.899 -8.471 1.00 0.00 C ATOM 0 H THR A 67 -9.616 3.225 -9.144 1.00 0.00 H new ATOM 0 HA THR A 67 -7.455 4.382 -7.667 1.00 0.00 H new ATOM 0 HB THR A 67 -9.832 5.680 -9.076 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.289 5.808 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.334 7.646 -9.247 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.642 7.222 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.094 6.784 -8.306 1.00 0.00 H new ATOM 831 N LYS A 68 -10.470 4.773 -6.387 1.00 0.00 N ATOM 832 CA LYS A 68 -11.161 5.205 -5.136 1.00 0.00 C ATOM 833 C LYS A 68 -10.498 4.521 -3.937 1.00 0.00 C ATOM 834 O LYS A 68 -10.253 5.139 -2.919 1.00 0.00 O ATOM 835 CB LYS A 68 -12.643 4.802 -5.206 1.00 0.00 C ATOM 836 CG LYS A 68 -13.432 5.440 -4.042 1.00 0.00 C ATOM 837 CD LYS A 68 -13.895 6.864 -4.424 1.00 0.00 C ATOM 838 CE LYS A 68 -15.244 6.807 -5.154 1.00 0.00 C ATOM 839 NZ LYS A 68 -15.639 8.186 -5.562 1.00 0.00 N ATOM 0 H LYS A 68 -11.072 4.344 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.087 6.287 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.068 5.119 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.733 3.717 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.296 4.822 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.807 5.481 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.984 7.478 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.148 7.338 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.170 6.163 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.005 6.375 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.553 8.153 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.724 8.787 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.916 8.581 -6.196 1.00 0.00 H new ATOM 853 N GLU A 69 -10.184 3.261 -4.051 1.00 0.00 N ATOM 854 CA GLU A 69 -9.514 2.562 -2.917 1.00 0.00 C ATOM 855 C GLU A 69 -8.129 3.177 -2.709 1.00 0.00 C ATOM 856 O GLU A 69 -7.677 3.362 -1.595 1.00 0.00 O ATOM 857 CB GLU A 69 -9.373 1.070 -3.246 1.00 0.00 C ATOM 858 CG GLU A 69 -8.655 0.340 -2.100 1.00 0.00 C ATOM 859 CD GLU A 69 -7.140 0.564 -2.190 1.00 0.00 C ATOM 860 OE1 GLU A 69 -6.673 0.928 -3.257 1.00 0.00 O ATOM 861 OE2 GLU A 69 -6.473 0.366 -1.188 1.00 0.00 O ATOM 0 H GLU A 69 -10.361 2.687 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.107 2.672 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.358 0.631 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.814 0.946 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.026 0.701 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.875 -0.727 -2.145 1.00 0.00 H new ATOM 868 N ARG A 70 -7.452 3.480 -3.782 1.00 0.00 N ATOM 869 CA ARG A 70 -6.088 4.072 -3.676 1.00 0.00 C ATOM 870 C ARG A 70 -6.165 5.392 -2.910 1.00 0.00 C ATOM 871 O ARG A 70 -5.359 5.671 -2.046 1.00 0.00 O ATOM 872 CB ARG A 70 -5.555 4.341 -5.088 1.00 0.00 C ATOM 873 CG ARG A 70 -4.108 4.843 -5.028 1.00 0.00 C ATOM 874 CD ARG A 70 -3.695 5.356 -6.408 1.00 0.00 C ATOM 875 NE ARG A 70 -4.059 4.349 -7.461 1.00 0.00 N ATOM 876 CZ ARG A 70 -3.627 3.118 -7.413 1.00 0.00 C ATOM 877 NH1 ARG A 70 -2.707 2.773 -6.555 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.076 2.243 -8.270 1.00 0.00 N ATOM 0 H ARG A 70 -7.788 3.342 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.426 3.384 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.605 3.429 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.183 5.080 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.017 5.639 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.444 4.038 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.189 6.305 -6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.622 5.544 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.660 4.634 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.320 3.467 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.375 1.809 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.761 2.522 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.742 1.280 -8.238 1.00 0.00 H new ATOM 892 N GLU A 71 -7.127 6.210 -3.229 1.00 0.00 N ATOM 893 CA GLU A 71 -7.265 7.508 -2.544 1.00 0.00 C ATOM 894 C GLU A 71 -7.475 7.280 -1.043 1.00 0.00 C ATOM 895 O GLU A 71 -6.949 8.000 -0.218 1.00 0.00 O ATOM 896 CB GLU A 71 -8.468 8.228 -3.149 1.00 0.00 C ATOM 897 CG GLU A 71 -8.612 9.608 -2.530 1.00 0.00 C ATOM 898 CD GLU A 71 -7.406 10.471 -2.909 1.00 0.00 C ATOM 899 OE1 GLU A 71 -6.716 10.110 -3.848 1.00 0.00 O ATOM 900 OE2 GLU A 71 -7.190 11.476 -2.251 1.00 0.00 O ATOM 0 H GLU A 71 -7.829 6.025 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.366 8.111 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.345 8.316 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.374 7.647 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.532 10.079 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.686 9.525 -1.446 1.00 0.00 H new ATOM 907 N GLN A 72 -8.249 6.291 -0.684 1.00 0.00 N ATOM 908 CA GLN A 72 -8.500 6.028 0.761 1.00 0.00 C ATOM 909 C GLN A 72 -7.186 5.659 1.446 1.00 0.00 C ATOM 910 O GLN A 72 -6.925 6.056 2.566 1.00 0.00 O ATOM 911 CB GLN A 72 -9.493 4.874 0.914 1.00 0.00 C ATOM 912 CG GLN A 72 -10.880 5.325 0.456 1.00 0.00 C ATOM 913 CD GLN A 72 -11.439 6.338 1.456 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.926 7.382 1.072 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.375 6.075 2.733 1.00 0.00 N ATOM 0 H GLN A 72 -8.718 5.655 -1.329 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.916 6.924 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.165 4.018 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.530 4.549 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.820 5.772 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.547 4.466 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.965 5.197 3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.735 6.747 3.411 1.00 0.00 H new ATOM 924 N VAL A 73 -6.357 4.898 0.792 1.00 0.00 N ATOM 925 CA VAL A 73 -5.065 4.505 1.418 1.00 0.00 C ATOM 926 C VAL A 73 -4.174 5.745 1.538 1.00 0.00 C ATOM 927 O VAL A 73 -3.565 5.990 2.561 1.00 0.00 O ATOM 928 CB VAL A 73 -4.374 3.462 0.533 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.947 3.215 1.029 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.163 2.151 0.573 1.00 0.00 C ATOM 0 H VAL A 73 -6.517 4.531 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.242 4.082 2.407 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.336 3.834 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.464 2.472 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.382 4.147 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.977 2.850 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.670 1.410 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.207 1.784 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.175 2.324 0.206 1.00 0.00 H new ATOM 940 N ILE A 74 -4.101 6.533 0.501 1.00 0.00 N ATOM 941 CA ILE A 74 -3.258 7.760 0.553 1.00 0.00 C ATOM 942 C ILE A 74 -3.772 8.682 1.653 1.00 0.00 C ATOM 943 O ILE A 74 -3.003 9.285 2.374 1.00 0.00 O ATOM 944 CB ILE A 74 -3.279 8.467 -0.804 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.525 7.596 -1.812 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.587 9.833 -0.695 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.722 8.145 -3.222 1.00 0.00 C ATOM 0 H ILE A 74 -4.589 6.380 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.227 7.487 0.778 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.309 8.619 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.463 7.575 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.885 6.568 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.607 10.329 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.109 10.448 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.553 9.693 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.183 7.520 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.784 8.143 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.340 9.165 -3.272 1.00 0.00 H new ATOM 959 N ALA A 75 -5.062 8.799 1.802 1.00 0.00 N ATOM 960 CA ALA A 75 -5.588 9.685 2.871 1.00 0.00 C ATOM 961 C ALA A 75 -4.962 9.253 4.198 1.00 0.00 C ATOM 962 O ALA A 75 -4.573 10.072 5.005 1.00 0.00 O ATOM 963 CB ALA A 75 -7.120 9.560 2.942 1.00 0.00 C ATOM 0 H ALA A 75 -5.766 8.325 1.236 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.337 10.725 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.502 10.212 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.554 9.852 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.391 8.528 3.163 1.00 0.00 H new ATOM 969 N HIS A 76 -4.831 7.969 4.416 1.00 0.00 N ATOM 970 CA HIS A 76 -4.199 7.507 5.680 1.00 0.00 C ATOM 971 C HIS A 76 -2.761 8.014 5.685 1.00 0.00 C ATOM 972 O HIS A 76 -2.262 8.494 6.682 1.00 0.00 O ATOM 973 CB HIS A 76 -4.204 5.977 5.754 1.00 0.00 C ATOM 974 CG HIS A 76 -3.674 5.547 7.094 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.459 5.737 7.706 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -4.441 4.825 7.996 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -2.469 5.145 8.965 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -3.687 4.609 9.088 1.00 0.00 N flip ATOM 0 H HIS A 76 -5.132 7.231 3.779 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.752 7.889 6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.215 5.597 5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.590 5.560 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.459 4.496 7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.666 5.123 9.687 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.006 4.098 9.911 1.00 0.00 H new ATOM 986 N LEU A 77 -2.101 7.945 4.559 1.00 0.00 N ATOM 987 CA LEU A 77 -0.712 8.461 4.486 1.00 0.00 C ATOM 988 C LEU A 77 -0.782 9.963 4.767 1.00 0.00 C ATOM 989 O LEU A 77 0.055 10.528 5.443 1.00 0.00 O ATOM 990 CB LEU A 77 -0.135 8.230 3.080 1.00 0.00 C ATOM 991 CG LEU A 77 -0.192 6.741 2.707 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.518 6.534 1.362 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.499 5.894 3.787 1.00 0.00 C ATOM 0 H LEU A 77 -2.467 7.554 3.691 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.072 7.950 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.696 8.814 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.897 8.580 3.043 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.234 6.430 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.482 5.479 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.020 7.124 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.557 6.851 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.451 4.841 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.542 6.199 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.005 6.041 4.742 1.00 0.00 H new