USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 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= -1.69! C(o=-4.6!,f=-16!) USER MOD Set 1.2: A 60 TYR OH : rot 128:sc= -2.91! USER MOD Single : A 14 SER OG : rot 30:sc= 0.286 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 18 SER OG : rot 180:sc= -1.14 USER MOD Single : A 20 GLN : amide:sc= -0.0279 K(o=-0.028,f=-0.96) USER MOD Single : A 23 MET CE :methyl -120:sc= -0.81 (180deg=-2.75!) USER MOD Single : A 28 MET CE :methyl 167:sc= -1.37 (180deg=-1.49) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00347 X(o=-0.0035,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.796 K(o=0.8,f=-4.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= -2.49 (180deg=-5.03!) USER MOD Single : A 63 MET CE :methyl -179:sc= -0.271 (180deg=-0.28) USER MOD Single : A 64 SER OG : rot -67:sc= 0.446 USER MOD Single : A 65 MET CE :methyl 171:sc= -1.38 (180deg=-1.93) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 76 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 6.875 -0.386 -8.091 1.00 0.00 N ATOM 24 CA SER A 14 5.653 -1.114 -7.636 1.00 0.00 C ATOM 25 C SER A 14 5.345 -0.736 -6.186 1.00 0.00 C ATOM 26 O SER A 14 6.200 -0.262 -5.464 1.00 0.00 O ATOM 27 CB SER A 14 5.895 -2.622 -7.715 1.00 0.00 C ATOM 28 OG SER A 14 6.427 -2.949 -8.990 1.00 0.00 O ATOM 0 HA SER A 14 4.814 -0.842 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.585 -2.932 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.962 -3.160 -7.549 1.00 0.00 H new ATOM 0 HG SER A 14 6.943 -2.190 -9.334 1.00 0.00 H new ATOM 34 N ILE A 15 4.128 -0.955 -5.755 1.00 0.00 N ATOM 35 CA ILE A 15 3.738 -0.630 -4.344 1.00 0.00 C ATOM 36 C ILE A 15 3.045 -1.851 -3.735 1.00 0.00 C ATOM 37 O ILE A 15 2.189 -2.456 -4.351 1.00 0.00 O ATOM 38 CB ILE A 15 2.768 0.554 -4.336 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.441 1.774 -4.967 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.389 0.878 -2.891 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.402 2.878 -5.186 1.00 0.00 C ATOM 0 H ILE A 15 3.379 -1.349 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 15 4.625 -0.371 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 15 1.875 0.299 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.240 2.136 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.899 1.498 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.698 1.721 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.912 0.010 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.286 1.135 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.883 3.747 -5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.618 2.513 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.964 3.161 -4.229 1.00 0.00 H new ATOM 53 N TRP A 16 3.412 -2.230 -2.537 1.00 0.00 N ATOM 54 CA TRP A 16 2.782 -3.427 -1.893 1.00 0.00 C ATOM 55 C TRP A 16 2.617 -3.174 -0.384 1.00 0.00 C ATOM 56 O TRP A 16 3.507 -2.657 0.263 1.00 0.00 O ATOM 57 CB TRP A 16 3.692 -4.637 -2.108 1.00 0.00 C ATOM 58 CG TRP A 16 3.825 -4.933 -3.570 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.716 -4.344 -4.408 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.077 -5.890 -4.380 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.559 -4.878 -5.673 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.563 -5.834 -5.707 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.032 -6.793 -4.096 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.038 -6.643 -6.714 1.00 0.00 C ATOM 65 CZ3 TRP A 16 1.504 -7.608 -5.106 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.006 -7.535 -6.413 1.00 0.00 C ATOM 0 H TRP A 16 4.122 -1.762 -1.974 1.00 0.00 H new ATOM 0 HA TRP A 16 1.803 -3.612 -2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.675 -4.443 -1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.284 -5.505 -1.590 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.430 -3.583 -4.131 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.112 -4.600 -6.484 1.00 0.00 H new ATOM 0 HE3 TRP A 16 1.636 -6.857 -3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.427 -6.580 -7.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.705 -8.297 -4.876 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.595 -8.168 -7.186 1.00 0.00 H new ATOM 77 N CYS A 17 1.480 -3.529 0.179 1.00 0.00 N ATOM 78 CA CYS A 17 1.246 -3.301 1.647 1.00 0.00 C ATOM 79 C CYS A 17 0.719 -4.579 2.316 1.00 0.00 C ATOM 80 O CYS A 17 -0.137 -5.263 1.791 1.00 0.00 O ATOM 81 CB CYS A 17 0.211 -2.187 1.816 1.00 0.00 C ATOM 82 SG CYS A 17 0.810 -0.678 1.014 1.00 0.00 S ATOM 0 H CYS A 17 0.703 -3.967 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 17 2.189 -3.022 2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.740 -2.491 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.030 -2.002 2.875 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.070 0.268 1.156 1.00 0.00 H new ATOM 88 N SER A 18 1.219 -4.889 3.486 1.00 0.00 N ATOM 89 CA SER A 18 0.751 -6.105 4.221 1.00 0.00 C ATOM 90 C SER A 18 -0.631 -5.829 4.818 1.00 0.00 C ATOM 91 O SER A 18 -1.016 -4.690 4.991 1.00 0.00 O ATOM 92 CB SER A 18 1.745 -6.416 5.350 1.00 0.00 C ATOM 93 OG SER A 18 1.048 -6.853 6.512 1.00 0.00 O ATOM 0 H SER A 18 1.937 -4.348 3.967 1.00 0.00 H new ATOM 0 HA SER A 18 0.690 -6.954 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.445 -7.186 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.333 -5.528 5.582 1.00 0.00 H new ATOM 0 HG SER A 18 1.691 -7.050 7.225 1.00 0.00 H new ATOM 99 N PRO A 19 -1.375 -6.860 5.142 1.00 0.00 N ATOM 100 CA PRO A 19 -2.729 -6.704 5.740 1.00 0.00 C ATOM 101 C PRO A 19 -2.701 -5.822 6.991 1.00 0.00 C ATOM 102 O PRO A 19 -3.621 -5.071 7.247 1.00 0.00 O ATOM 103 CB PRO A 19 -3.167 -8.149 6.080 1.00 0.00 C ATOM 104 CG PRO A 19 -1.912 -8.964 6.017 1.00 0.00 C ATOM 105 CD PRO A 19 -1.025 -8.280 4.979 1.00 0.00 C ATOM 0 HA PRO A 19 -3.421 -6.208 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.621 -8.200 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.909 -8.513 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.420 -9.001 6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.128 -9.993 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.033 -8.461 5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.234 -8.636 3.970 1.00 0.00 H new ATOM 113 N GLN A 20 -1.653 -5.897 7.767 1.00 0.00 N ATOM 114 CA GLN A 20 -1.587 -5.049 8.986 1.00 0.00 C ATOM 115 C GLN A 20 -1.656 -3.580 8.565 1.00 0.00 C ATOM 116 O GLN A 20 -2.370 -2.786 9.149 1.00 0.00 O ATOM 117 CB GLN A 20 -0.277 -5.337 9.733 1.00 0.00 C ATOM 118 CG GLN A 20 0.916 -4.741 8.978 1.00 0.00 C ATOM 119 CD GLN A 20 2.216 -5.251 9.604 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.316 -6.406 9.968 1.00 0.00 O ATOM 121 NE2 GLN A 20 3.221 -4.432 9.748 1.00 0.00 N ATOM 0 H GLN A 20 -0.848 -6.504 7.610 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.422 -5.270 9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.325 -4.917 10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.144 -6.413 9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.871 -5.021 7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.881 -3.652 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.137 -3.463 9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.091 -4.761 10.166 1.00 0.00 H new ATOM 130 N GLU A 21 -0.935 -3.216 7.537 1.00 0.00 N ATOM 131 CA GLU A 21 -0.980 -1.806 7.066 1.00 0.00 C ATOM 132 C GLU A 21 -2.401 -1.487 6.614 1.00 0.00 C ATOM 133 O GLU A 21 -2.927 -0.425 6.886 1.00 0.00 O ATOM 134 CB GLU A 21 -0.010 -1.622 5.897 1.00 0.00 C ATOM 135 CG GLU A 21 1.432 -1.708 6.406 1.00 0.00 C ATOM 136 CD GLU A 21 2.402 -1.524 5.235 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.933 -1.296 4.133 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.597 -1.611 5.463 1.00 0.00 O ATOM 0 H GLU A 21 -0.320 -3.834 7.007 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.689 -1.134 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.186 -2.388 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.180 -0.658 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.608 -0.942 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.603 -2.672 6.885 1.00 0.00 H new ATOM 145 N ILE A 22 -3.035 -2.403 5.935 1.00 0.00 N ATOM 146 CA ILE A 22 -4.428 -2.151 5.484 1.00 0.00 C ATOM 147 C ILE A 22 -5.344 -2.146 6.708 1.00 0.00 C ATOM 148 O ILE A 22 -6.200 -1.294 6.849 1.00 0.00 O ATOM 149 CB ILE A 22 -4.866 -3.247 4.512 1.00 0.00 C ATOM 150 CG1 ILE A 22 -4.040 -3.136 3.225 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.354 -3.077 4.190 1.00 0.00 C ATOM 152 CD1 ILE A 22 -4.302 -4.349 2.326 1.00 0.00 C ATOM 0 H ILE A 22 -2.649 -3.311 5.675 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.485 -1.189 4.974 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.707 -4.227 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.298 -2.219 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.979 -3.076 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.668 -3.858 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.936 -3.152 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.519 -2.100 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.711 -4.261 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.021 -5.260 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.361 -4.390 2.069 1.00 0.00 H new ATOM 164 N MET A 23 -5.175 -3.092 7.593 1.00 0.00 N ATOM 165 CA MET A 23 -6.029 -3.157 8.810 1.00 0.00 C ATOM 166 C MET A 23 -6.102 -1.783 9.476 1.00 0.00 C ATOM 167 O MET A 23 -7.047 -1.477 10.175 1.00 0.00 O ATOM 168 CB MET A 23 -5.400 -4.160 9.786 1.00 0.00 C ATOM 169 CG MET A 23 -5.640 -5.602 9.304 1.00 0.00 C ATOM 170 SD MET A 23 -7.214 -6.198 9.974 1.00 0.00 S ATOM 171 CE MET A 23 -6.663 -6.526 11.674 1.00 0.00 C ATOM 0 H MET A 23 -4.474 -3.829 7.522 1.00 0.00 H new ATOM 0 HA MET A 23 -7.037 -3.468 8.536 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.330 -3.972 9.871 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.827 -4.026 10.780 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.658 -5.636 8.215 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.824 -6.248 9.629 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.809 -7.581 11.907 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.606 -6.277 11.768 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.243 -5.918 12.368 1.00 0.00 H new ATOM 181 N ALA A 24 -5.118 -0.950 9.277 1.00 0.00 N ATOM 182 CA ALA A 24 -5.159 0.396 9.915 1.00 0.00 C ATOM 183 C ALA A 24 -6.050 1.331 9.092 1.00 0.00 C ATOM 184 O ALA A 24 -6.381 2.418 9.521 1.00 0.00 O ATOM 185 CB ALA A 24 -3.742 0.972 9.978 1.00 0.00 C ATOM 0 H ALA A 24 -4.295 -1.140 8.706 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.564 0.305 10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.770 1.957 10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.106 0.310 10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.340 1.060 8.969 1.00 0.00 H new ATOM 191 N ALA A 25 -6.449 0.918 7.915 1.00 0.00 N ATOM 192 CA ALA A 25 -7.325 1.788 7.075 1.00 0.00 C ATOM 193 C ALA A 25 -8.789 1.583 7.468 1.00 0.00 C ATOM 194 O ALA A 25 -9.336 0.507 7.324 1.00 0.00 O ATOM 195 CB ALA A 25 -7.146 1.421 5.601 1.00 0.00 C ATOM 0 H ALA A 25 -6.206 0.018 7.501 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.049 2.831 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.785 2.056 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.105 1.568 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.420 0.377 5.450 1.00 0.00 H new ATOM 201 N ASP A 26 -9.431 2.609 7.956 1.00 0.00 N ATOM 202 CA ASP A 26 -10.862 2.475 8.350 1.00 0.00 C ATOM 203 C ASP A 26 -11.695 2.106 7.118 1.00 0.00 C ATOM 204 O ASP A 26 -12.677 1.397 7.210 1.00 0.00 O ATOM 205 CB ASP A 26 -11.363 3.797 8.932 1.00 0.00 C ATOM 206 CG ASP A 26 -11.234 4.903 7.883 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.465 4.723 6.953 1.00 0.00 O ATOM 208 OD2 ASP A 26 -11.909 5.909 8.027 1.00 0.00 O ATOM 0 H ASP A 26 -9.026 3.534 8.099 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.959 1.693 9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.403 3.698 9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.787 4.056 9.820 1.00 0.00 H new ATOM 213 N GLY A 27 -11.309 2.588 5.964 1.00 0.00 N ATOM 214 CA GLY A 27 -12.073 2.273 4.718 1.00 0.00 C ATOM 215 C GLY A 27 -12.195 0.755 4.555 1.00 0.00 C ATOM 216 O GLY A 27 -13.153 0.260 3.994 1.00 0.00 O ATOM 0 H GLY A 27 -10.495 3.188 5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.064 2.724 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.568 2.702 3.852 1.00 0.00 H new ATOM 220 N MET A 28 -11.228 0.017 5.044 1.00 0.00 N ATOM 221 CA MET A 28 -11.264 -1.478 4.935 1.00 0.00 C ATOM 222 C MET A 28 -11.261 -2.060 6.358 1.00 0.00 C ATOM 223 O MET A 28 -10.220 -2.384 6.897 1.00 0.00 O ATOM 224 CB MET A 28 -10.021 -1.954 4.169 1.00 0.00 C ATOM 225 CG MET A 28 -9.719 -0.969 3.039 1.00 0.00 C ATOM 226 SD MET A 28 -8.394 -1.632 2.000 1.00 0.00 S ATOM 227 CE MET A 28 -8.956 -0.930 0.430 1.00 0.00 C ATOM 0 H MET A 28 -10.406 0.390 5.519 1.00 0.00 H new ATOM 0 HA MET A 28 -12.156 -1.807 4.402 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.168 -2.024 4.844 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.189 -2.951 3.763 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.614 -0.799 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.424 -0.004 3.452 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.163 -1.019 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.839 -1.469 0.086 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.205 0.122 0.570 1.00 0.00 H new ATOM 237 N PRO A 29 -12.416 -2.158 6.983 1.00 0.00 N ATOM 238 CA PRO A 29 -12.539 -2.669 8.381 1.00 0.00 C ATOM 239 C PRO A 29 -12.563 -4.196 8.456 1.00 0.00 C ATOM 240 O PRO A 29 -12.620 -4.879 7.452 1.00 0.00 O ATOM 241 CB PRO A 29 -13.882 -2.098 8.828 1.00 0.00 C ATOM 242 CG PRO A 29 -14.707 -2.114 7.585 1.00 0.00 C ATOM 243 CD PRO A 29 -13.742 -1.801 6.433 1.00 0.00 C ATOM 0 HA PRO A 29 -11.692 -2.375 9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.332 -2.703 9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.775 -1.088 9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.181 -3.085 7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.506 -1.374 7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.977 -2.385 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.787 -0.750 6.146 1.00 0.00 H new ATOM 251 N GLY A 30 -12.514 -4.731 9.648 1.00 0.00 N ATOM 252 CA GLY A 30 -12.525 -6.212 9.826 1.00 0.00 C ATOM 253 C GLY A 30 -11.108 -6.668 10.155 1.00 0.00 C ATOM 254 O GLY A 30 -10.153 -5.959 9.913 1.00 0.00 O ATOM 0 H GLY A 30 -12.466 -4.197 10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.209 -6.493 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.879 -6.700 8.918 1.00 0.00 H new ATOM 258 N SER A 31 -10.954 -7.833 10.714 1.00 0.00 N ATOM 259 CA SER A 31 -9.587 -8.303 11.061 1.00 0.00 C ATOM 260 C SER A 31 -8.841 -8.653 9.775 1.00 0.00 C ATOM 261 O SER A 31 -9.249 -8.274 8.695 1.00 0.00 O ATOM 262 CB SER A 31 -9.678 -9.536 11.959 1.00 0.00 C ATOM 263 OG SER A 31 -10.086 -10.656 11.185 1.00 0.00 O ATOM 0 H SER A 31 -11.711 -8.477 10.945 1.00 0.00 H new ATOM 0 HA SER A 31 -9.051 -7.517 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.712 -9.733 12.423 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.389 -9.360 12.766 1.00 0.00 H new ATOM 0 HG SER A 31 -10.143 -11.448 11.760 1.00 0.00 H new ATOM 269 N VAL A 32 -7.738 -9.343 9.870 1.00 0.00 N ATOM 270 CA VAL A 32 -6.978 -9.667 8.633 1.00 0.00 C ATOM 271 C VAL A 32 -7.876 -10.479 7.694 1.00 0.00 C ATOM 272 O VAL A 32 -8.019 -10.154 6.533 1.00 0.00 O ATOM 273 CB VAL A 32 -5.728 -10.473 9.001 1.00 0.00 C ATOM 274 CG1 VAL A 32 -5.046 -10.982 7.731 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.755 -9.577 9.774 1.00 0.00 C ATOM 0 H VAL A 32 -7.335 -9.692 10.739 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.670 -8.750 8.131 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.018 -11.322 9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.158 -11.554 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.736 -11.620 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.757 -10.135 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.865 -10.148 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.471 -8.728 9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.236 -9.216 10.683 1.00 0.00 H new ATOM 285 N ALA A 33 -8.500 -11.520 8.178 1.00 0.00 N ATOM 286 CA ALA A 33 -9.398 -12.312 7.292 1.00 0.00 C ATOM 287 C ALA A 33 -10.556 -11.416 6.844 1.00 0.00 C ATOM 288 O ALA A 33 -11.011 -11.482 5.722 1.00 0.00 O ATOM 289 CB ALA A 33 -9.941 -13.523 8.056 1.00 0.00 C ATOM 0 H ALA A 33 -8.427 -11.853 9.139 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.846 -12.666 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.597 -14.100 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.111 -14.150 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.502 -13.182 8.926 1.00 0.00 H new ATOM 295 N GLY A 34 -11.041 -10.574 7.713 1.00 0.00 N ATOM 296 CA GLY A 34 -12.166 -9.681 7.317 1.00 0.00 C ATOM 297 C GLY A 34 -11.765 -8.919 6.056 1.00 0.00 C ATOM 298 O GLY A 34 -12.540 -8.774 5.130 1.00 0.00 O ATOM 0 H GLY A 34 -10.711 -10.465 8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.067 -10.267 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.397 -8.984 8.123 1.00 0.00 H new ATOM 302 N VAL A 35 -10.547 -8.452 5.998 1.00 0.00 N ATOM 303 CA VAL A 35 -10.087 -7.726 4.784 1.00 0.00 C ATOM 304 C VAL A 35 -10.143 -8.699 3.602 1.00 0.00 C ATOM 305 O VAL A 35 -10.578 -8.361 2.519 1.00 0.00 O ATOM 306 CB VAL A 35 -8.643 -7.258 4.993 1.00 0.00 C ATOM 307 CG1 VAL A 35 -8.069 -6.730 3.674 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.617 -6.141 6.039 1.00 0.00 C ATOM 0 H VAL A 35 -9.852 -8.543 6.739 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.719 -6.859 4.592 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.041 -8.099 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.042 -6.399 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.085 -7.524 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.671 -5.891 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.590 -5.807 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.224 -5.304 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.018 -6.515 6.981 1.00 0.00 H new ATOM 318 N HIS A 36 -9.710 -9.914 3.819 1.00 0.00 N ATOM 319 CA HIS A 36 -9.736 -10.938 2.734 1.00 0.00 C ATOM 320 C HIS A 36 -11.176 -11.153 2.263 1.00 0.00 C ATOM 321 O HIS A 36 -11.434 -11.362 1.092 1.00 0.00 O ATOM 322 CB HIS A 36 -9.186 -12.273 3.253 1.00 0.00 C ATOM 323 CG HIS A 36 -7.693 -12.204 3.413 1.00 0.00 C ATOM 324 ND1 HIS A 36 -7.085 -11.555 4.476 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.675 -12.735 2.668 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.754 -11.716 4.339 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.451 -12.429 3.253 1.00 0.00 N ATOM 0 H HIS A 36 -9.336 -10.243 4.709 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.120 -10.584 1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.649 -12.516 4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.446 -13.074 2.561 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.558 -11.049 5.224 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.803 -13.307 1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.022 -11.316 5.025 1.00 0.00 H new ATOM 335 N TYR A 37 -12.116 -11.138 3.170 1.00 0.00 N ATOM 336 CA TYR A 37 -13.530 -11.380 2.771 1.00 0.00 C ATOM 337 C TYR A 37 -13.931 -10.351 1.713 1.00 0.00 C ATOM 338 O TYR A 37 -14.457 -10.694 0.673 1.00 0.00 O ATOM 339 CB TYR A 37 -14.439 -11.238 3.994 1.00 0.00 C ATOM 340 CG TYR A 37 -15.826 -11.722 3.645 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.770 -10.836 3.112 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.165 -13.065 3.853 1.00 0.00 C ATOM 343 CE1 TYR A 37 -18.054 -11.293 2.788 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.448 -13.521 3.529 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.393 -12.636 2.997 1.00 0.00 C ATOM 346 OH TYR A 37 -19.658 -13.087 2.678 1.00 0.00 O ATOM 0 H TYR A 37 -11.966 -10.969 4.165 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.631 -12.386 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.039 -11.816 4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.475 -10.197 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.508 -9.801 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.436 -13.749 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.783 -10.610 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.709 -14.557 3.690 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.726 -14.043 2.884 1.00 0.00 H new ATOM 356 N ARG A 38 -13.675 -9.093 1.953 1.00 0.00 N ATOM 357 CA ARG A 38 -14.034 -8.066 0.938 1.00 0.00 C ATOM 358 C ARG A 38 -13.250 -8.348 -0.347 1.00 0.00 C ATOM 359 O ARG A 38 -13.767 -8.242 -1.442 1.00 0.00 O ATOM 360 CB ARG A 38 -13.670 -6.675 1.466 1.00 0.00 C ATOM 361 CG ARG A 38 -14.203 -5.611 0.505 1.00 0.00 C ATOM 362 CD ARG A 38 -13.840 -4.222 1.032 1.00 0.00 C ATOM 363 NE ARG A 38 -14.537 -3.970 2.341 1.00 0.00 N ATOM 364 CZ ARG A 38 -15.841 -4.007 2.451 1.00 0.00 C ATOM 365 NH1 ARG A 38 -16.597 -4.097 1.391 1.00 0.00 N ATOM 366 NH2 ARG A 38 -16.391 -3.902 3.630 1.00 0.00 N ATOM 0 H ARG A 38 -13.236 -8.736 2.802 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.104 -8.102 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.094 -6.529 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.588 -6.583 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.779 -5.757 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.285 -5.703 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.761 -4.145 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.127 -3.462 0.305 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.977 -3.764 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.173 -4.139 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.612 -4.125 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.805 -3.792 4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.406 -3.930 3.723 1.00 0.00 H new ATOM 380 N ALA A 39 -11.996 -8.696 -0.216 1.00 0.00 N ATOM 381 CA ALA A 39 -11.158 -8.976 -1.418 1.00 0.00 C ATOM 382 C ALA A 39 -11.444 -10.384 -1.952 1.00 0.00 C ATOM 383 O ALA A 39 -10.762 -10.871 -2.832 1.00 0.00 O ATOM 384 CB ALA A 39 -9.678 -8.867 -1.036 1.00 0.00 C ATOM 0 H ALA A 39 -11.515 -8.799 0.677 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.397 -8.250 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.060 -9.071 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.470 -7.861 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.450 -9.591 -0.254 1.00 0.00 H new ATOM 390 N ASN A 40 -12.455 -11.037 -1.450 1.00 0.00 N ATOM 391 CA ASN A 40 -12.775 -12.399 -1.966 1.00 0.00 C ATOM 392 C ASN A 40 -13.463 -12.273 -3.327 1.00 0.00 C ATOM 393 O ASN A 40 -13.080 -12.897 -4.296 1.00 0.00 O ATOM 394 CB ASN A 40 -13.717 -13.113 -0.995 1.00 0.00 C ATOM 395 CG ASN A 40 -13.935 -14.553 -1.466 1.00 0.00 C ATOM 396 OD1 ASN A 40 -15.037 -14.933 -1.809 1.00 0.00 O ATOM 397 ND2 ASN A 40 -12.923 -15.376 -1.498 1.00 0.00 N ATOM 0 H ASN A 40 -13.069 -10.692 -0.712 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.853 -12.972 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.294 -13.107 0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.670 -12.587 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.057 -16.338 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.998 -15.058 -1.210 1.00 0.00 H new ATOM 404 N VAL A 41 -14.488 -11.473 -3.391 1.00 0.00 N ATOM 405 CA VAL A 41 -15.227 -11.299 -4.670 1.00 0.00 C ATOM 406 C VAL A 41 -14.363 -10.522 -5.670 1.00 0.00 C ATOM 407 O VAL A 41 -14.334 -10.823 -6.846 1.00 0.00 O ATOM 408 CB VAL A 41 -16.524 -10.536 -4.395 1.00 0.00 C ATOM 409 CG1 VAL A 41 -17.220 -10.207 -5.716 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.449 -11.399 -3.529 1.00 0.00 C ATOM 0 H VAL A 41 -14.848 -10.929 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.460 -12.275 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 41 -16.293 -9.609 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -18.143 -9.664 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.563 -9.591 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.451 -11.131 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.374 -10.857 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.677 -12.327 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.955 -11.628 -2.585 1.00 0.00 H new ATOM 420 N GLN A 42 -13.661 -9.524 -5.211 1.00 0.00 N ATOM 421 CA GLN A 42 -12.808 -8.724 -6.136 1.00 0.00 C ATOM 422 C GLN A 42 -11.511 -9.489 -6.437 1.00 0.00 C ATOM 423 O GLN A 42 -11.066 -10.308 -5.658 1.00 0.00 O ATOM 424 CB GLN A 42 -12.481 -7.378 -5.488 1.00 0.00 C ATOM 425 CG GLN A 42 -13.758 -6.540 -5.386 1.00 0.00 C ATOM 426 CD GLN A 42 -13.452 -5.210 -4.692 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.461 -5.084 -4.002 1.00 0.00 O ATOM 428 NE2 GLN A 42 -14.271 -4.206 -4.850 1.00 0.00 N ATOM 0 H GLN A 42 -13.640 -9.227 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.344 -8.554 -7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.054 -7.533 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.732 -6.850 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.164 -6.357 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.518 -7.086 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.103 -4.313 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.079 -3.314 -4.394 1.00 0.00 H new ATOM 437 N GLY A 43 -10.906 -9.233 -7.572 1.00 0.00 N ATOM 438 CA GLY A 43 -9.642 -9.946 -7.942 1.00 0.00 C ATOM 439 C GLY A 43 -8.426 -9.109 -7.539 1.00 0.00 C ATOM 440 O GLY A 43 -7.655 -8.673 -8.371 1.00 0.00 O ATOM 0 H GLY A 43 -11.235 -8.557 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.605 -10.916 -7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.623 -10.135 -9.015 1.00 0.00 H new ATOM 444 N TRP A 44 -8.247 -8.885 -6.269 1.00 0.00 N ATOM 445 CA TRP A 44 -7.081 -8.076 -5.807 1.00 0.00 C ATOM 446 C TRP A 44 -5.775 -8.773 -6.193 1.00 0.00 C ATOM 447 O TRP A 44 -5.687 -9.984 -6.220 1.00 0.00 O ATOM 448 CB TRP A 44 -7.115 -7.940 -4.279 1.00 0.00 C ATOM 449 CG TRP A 44 -8.129 -6.928 -3.862 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.245 -6.600 -4.549 1.00 0.00 C ATOM 451 CD2 TRP A 44 -8.131 -6.111 -2.659 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.932 -5.626 -3.843 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.285 -5.296 -2.668 1.00 0.00 C ATOM 454 CE3 TRP A 44 -7.246 -6.004 -1.573 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.554 -4.403 -1.629 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.511 -5.110 -0.528 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.664 -4.310 -0.553 1.00 0.00 C ATOM 0 H TRP A 44 -8.858 -9.227 -5.527 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.135 -7.094 -6.276 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.350 -8.904 -3.828 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.131 -7.648 -3.913 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.551 -7.027 -5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.808 -5.204 -4.153 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.356 -6.615 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.442 -3.789 -1.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.824 -5.036 0.302 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.864 -3.624 0.257 1.00 0.00 H new ATOM 468 N THR A 45 -4.751 -8.009 -6.453 1.00 0.00 N ATOM 469 CA THR A 45 -3.433 -8.612 -6.791 1.00 0.00 C ATOM 470 C THR A 45 -2.780 -9.063 -5.481 1.00 0.00 C ATOM 471 O THR A 45 -2.734 -8.319 -4.521 1.00 0.00 O ATOM 472 CB THR A 45 -2.565 -7.557 -7.494 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.998 -7.425 -8.840 1.00 0.00 O ATOM 474 CG2 THR A 45 -1.076 -7.954 -7.468 1.00 0.00 C ATOM 0 H THR A 45 -4.771 -6.989 -6.446 1.00 0.00 H new ATOM 0 HA THR A 45 -3.546 -9.465 -7.460 1.00 0.00 H new ATOM 0 HB THR A 45 -2.672 -6.609 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.450 -6.752 -9.295 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.487 -7.189 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.742 -8.046 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.945 -8.908 -7.978 1.00 0.00 H new ATOM 482 N LYS A 46 -2.304 -10.283 -5.423 1.00 0.00 N ATOM 483 CA LYS A 46 -1.681 -10.793 -4.156 1.00 0.00 C ATOM 484 C LYS A 46 -0.350 -11.486 -4.456 1.00 0.00 C ATOM 485 O LYS A 46 -0.157 -12.065 -5.506 1.00 0.00 O ATOM 486 CB LYS A 46 -2.629 -11.812 -3.516 1.00 0.00 C ATOM 487 CG LYS A 46 -3.886 -11.105 -3.013 1.00 0.00 C ATOM 488 CD LYS A 46 -4.959 -12.145 -2.675 1.00 0.00 C ATOM 489 CE LYS A 46 -4.445 -13.092 -1.584 1.00 0.00 C ATOM 490 NZ LYS A 46 -3.590 -14.143 -2.203 1.00 0.00 N ATOM 0 H LYS A 46 -2.319 -10.949 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.504 -9.953 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.898 -12.578 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.130 -12.318 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.652 -10.509 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.258 -10.418 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.867 -11.646 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.221 -12.713 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.874 -12.534 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.284 -13.551 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.831 -15.070 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.752 -14.162 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.589 -13.932 -2.014 1.00 0.00 H new ATOM 504 N ARG A 47 0.564 -11.446 -3.517 1.00 0.00 N ATOM 505 CA ARG A 47 1.884 -12.120 -3.711 1.00 0.00 C ATOM 506 C ARG A 47 2.340 -12.709 -2.374 1.00 0.00 C ATOM 507 O ARG A 47 2.125 -12.133 -1.324 1.00 0.00 O ATOM 508 CB ARG A 47 2.928 -11.106 -4.209 1.00 0.00 C ATOM 509 CG ARG A 47 3.110 -9.984 -3.182 1.00 0.00 C ATOM 510 CD ARG A 47 4.144 -8.981 -3.698 1.00 0.00 C ATOM 511 NE ARG A 47 5.513 -9.553 -3.548 1.00 0.00 N ATOM 512 CZ ARG A 47 6.525 -8.989 -4.151 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.341 -7.916 -4.873 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.722 -9.496 -4.028 1.00 0.00 N ATOM 0 H ARG A 47 0.451 -10.973 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 47 1.782 -12.912 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.880 -11.608 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.611 -10.687 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.159 -9.482 -3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.435 -10.399 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.949 -8.748 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.067 -8.046 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 47 5.659 -10.384 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.406 -7.518 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.132 -7.476 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.866 -10.332 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.513 -9.056 -4.499 1.00 0.00 H new ATOM 678 N VAL A 58 1.751 -11.686 3.904 1.00 0.00 N ATOM 679 CA VAL A 58 0.946 -11.616 2.641 1.00 0.00 C ATOM 680 C VAL A 58 0.828 -10.142 2.246 1.00 0.00 C ATOM 681 O VAL A 58 0.779 -9.283 3.104 1.00 0.00 O ATOM 682 CB VAL A 58 -0.445 -12.201 2.906 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.362 -11.928 1.711 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.322 -13.711 3.126 1.00 0.00 C ATOM 0 HA VAL A 58 1.420 -12.182 1.839 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.872 -11.734 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.349 -12.347 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.448 -10.852 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.942 -12.390 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.309 -14.133 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.106 -14.174 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.324 -13.902 3.982 1.00 0.00 H new ATOM 694 N GLU A 59 0.822 -9.821 0.968 1.00 0.00 N ATOM 695 CA GLU A 59 0.748 -8.372 0.562 1.00 0.00 C ATOM 696 C GLU A 59 -0.258 -8.145 -0.573 1.00 0.00 C ATOM 697 O GLU A 59 -0.613 -9.048 -1.307 1.00 0.00 O ATOM 698 CB GLU A 59 2.131 -7.914 0.099 1.00 0.00 C ATOM 699 CG GLU A 59 3.108 -7.935 1.279 1.00 0.00 C ATOM 700 CD GLU A 59 3.516 -9.377 1.587 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.194 -10.248 0.796 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.141 -9.587 2.614 1.00 0.00 O ATOM 0 H GLU A 59 0.864 -10.488 0.198 1.00 0.00 H new ATOM 0 HA GLU A 59 0.415 -7.797 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.493 -8.566 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.071 -6.908 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.990 -7.340 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.644 -7.483 2.156 1.00 0.00 H new ATOM 709 N TYR A 60 -0.709 -6.914 -0.712 1.00 0.00 N ATOM 710 CA TYR A 60 -1.691 -6.551 -1.782 1.00 0.00 C ATOM 711 C TYR A 60 -1.163 -5.325 -2.539 1.00 0.00 C ATOM 712 O TYR A 60 -0.560 -4.445 -1.954 1.00 0.00 O ATOM 713 CB TYR A 60 -3.024 -6.170 -1.138 1.00 0.00 C ATOM 714 CG TYR A 60 -3.544 -7.325 -0.327 1.00 0.00 C ATOM 715 CD1 TYR A 60 -4.375 -8.282 -0.918 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.193 -7.437 1.023 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.857 -9.352 -0.157 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.675 -8.505 1.782 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.505 -9.462 1.192 1.00 0.00 C ATOM 720 OH TYR A 60 -4.981 -10.512 1.942 1.00 0.00 O ATOM 0 H TYR A 60 -0.430 -6.135 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.825 -7.397 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.894 -5.295 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.747 -5.899 -1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.644 -8.195 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.550 -6.698 1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.500 -10.092 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.407 -8.592 2.825 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.233 -10.959 2.390 1.00 0.00 H new ATOM 730 N ASP A 61 -1.390 -5.242 -3.825 1.00 0.00 N ATOM 731 CA ASP A 61 -0.905 -4.053 -4.597 1.00 0.00 C ATOM 732 C ASP A 61 -2.034 -3.023 -4.699 1.00 0.00 C ATOM 733 O ASP A 61 -3.070 -3.282 -5.278 1.00 0.00 O ATOM 734 CB ASP A 61 -0.485 -4.484 -6.005 1.00 0.00 C ATOM 735 CG ASP A 61 0.215 -3.317 -6.706 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.033 -2.193 -6.267 1.00 0.00 O ATOM 737 OD2 ASP A 61 0.924 -3.567 -7.667 1.00 0.00 O ATOM 0 H ASP A 61 -1.888 -5.942 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.049 -3.615 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.183 -5.343 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.359 -4.796 -6.578 1.00 0.00 H new ATOM 742 N VAL A 62 -1.846 -1.858 -4.138 1.00 0.00 N ATOM 743 CA VAL A 62 -2.908 -0.812 -4.197 1.00 0.00 C ATOM 744 C VAL A 62 -3.175 -0.419 -5.653 1.00 0.00 C ATOM 745 O VAL A 62 -4.215 0.117 -5.981 1.00 0.00 O ATOM 746 CB VAL A 62 -2.441 0.422 -3.416 1.00 0.00 C ATOM 747 CG1 VAL A 62 -1.281 1.109 -4.156 1.00 0.00 C ATOM 748 CG2 VAL A 62 -3.611 1.399 -3.272 1.00 0.00 C ATOM 0 H VAL A 62 -0.999 -1.585 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.826 -1.205 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.095 0.114 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.957 1.984 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.449 0.412 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.614 1.418 -5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.284 2.279 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.956 1.701 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.426 0.914 -2.735 1.00 0.00 H new ATOM 758 N MET A 63 -2.234 -0.657 -6.519 1.00 0.00 N ATOM 759 CA MET A 63 -2.415 -0.274 -7.949 1.00 0.00 C ATOM 760 C MET A 63 -3.371 -1.238 -8.661 1.00 0.00 C ATOM 761 O MET A 63 -3.609 -1.104 -9.845 1.00 0.00 O ATOM 762 CB MET A 63 -1.055 -0.292 -8.654 1.00 0.00 C ATOM 763 CG MET A 63 -0.222 0.905 -8.189 1.00 0.00 C ATOM 764 SD MET A 63 -0.818 2.403 -9.012 1.00 0.00 S ATOM 765 CE MET A 63 0.235 3.579 -8.130 1.00 0.00 C ATOM 0 H MET A 63 -1.343 -1.102 -6.300 1.00 0.00 H new ATOM 0 HA MET A 63 -2.845 0.727 -7.987 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.531 -1.221 -8.432 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.193 -0.254 -9.735 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.296 1.016 -7.107 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.831 0.743 -8.421 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.018 4.590 -8.474 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.041 3.510 -7.060 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.282 3.347 -8.324 1.00 0.00 H new ATOM 775 N SER A 64 -3.922 -2.209 -7.965 1.00 0.00 N ATOM 776 CA SER A 64 -4.859 -3.178 -8.631 1.00 0.00 C ATOM 777 C SER A 64 -6.308 -2.906 -8.200 1.00 0.00 C ATOM 778 O SER A 64 -7.234 -3.166 -8.943 1.00 0.00 O ATOM 779 CB SER A 64 -4.477 -4.607 -8.234 1.00 0.00 C ATOM 780 OG SER A 64 -5.114 -4.938 -7.009 1.00 0.00 O ATOM 0 H SER A 64 -3.765 -2.372 -6.970 1.00 0.00 H new ATOM 0 HA SER A 64 -4.781 -3.055 -9.711 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.777 -5.306 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.395 -4.691 -8.129 1.00 0.00 H new ATOM 0 HG SER A 64 -4.737 -4.393 -6.287 1.00 0.00 H new ATOM 786 N MET A 65 -6.524 -2.364 -7.027 1.00 0.00 N ATOM 787 CA MET A 65 -7.927 -2.064 -6.598 1.00 0.00 C ATOM 788 C MET A 65 -8.351 -0.719 -7.216 1.00 0.00 C ATOM 789 O MET A 65 -7.516 0.112 -7.514 1.00 0.00 O ATOM 790 CB MET A 65 -8.008 -1.993 -5.058 1.00 0.00 C ATOM 791 CG MET A 65 -6.647 -1.596 -4.470 1.00 0.00 C ATOM 792 SD MET A 65 -5.637 -3.088 -4.244 1.00 0.00 S ATOM 793 CE MET A 65 -5.711 -3.166 -2.435 1.00 0.00 C ATOM 0 H MET A 65 -5.799 -2.118 -6.353 1.00 0.00 H new ATOM 0 HA MET A 65 -8.596 -2.854 -6.938 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.766 -1.268 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.316 -2.959 -4.658 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.140 -0.896 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.784 -1.087 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.283 -4.108 -2.094 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.146 -2.336 -2.012 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.749 -3.101 -2.110 1.00 0.00 H new ATOM 803 N PRO A 66 -9.631 -0.491 -7.400 1.00 0.00 N ATOM 804 CA PRO A 66 -10.129 0.789 -7.983 1.00 0.00 C ATOM 805 C PRO A 66 -9.364 2.006 -7.436 1.00 0.00 C ATOM 806 O PRO A 66 -8.663 1.919 -6.448 1.00 0.00 O ATOM 807 CB PRO A 66 -11.599 0.823 -7.558 1.00 0.00 C ATOM 808 CG PRO A 66 -12.007 -0.616 -7.470 1.00 0.00 C ATOM 809 CD PRO A 66 -10.746 -1.409 -7.080 1.00 0.00 C ATOM 0 HA PRO A 66 -9.993 0.836 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.722 1.328 -6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.208 1.363 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.794 -0.751 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.404 -0.965 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.753 -1.675 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.670 -2.340 -7.642 1.00 0.00 H new ATOM 817 N THR A 67 -9.488 3.134 -8.078 1.00 0.00 N ATOM 818 CA THR A 67 -8.765 4.350 -7.609 1.00 0.00 C ATOM 819 C THR A 67 -9.363 4.866 -6.295 1.00 0.00 C ATOM 820 O THR A 67 -8.697 5.529 -5.525 1.00 0.00 O ATOM 821 CB THR A 67 -8.878 5.439 -8.676 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.224 5.526 -9.118 1.00 0.00 O ATOM 823 CG2 THR A 67 -7.967 5.104 -9.859 1.00 0.00 C ATOM 0 H THR A 67 -10.061 3.267 -8.911 1.00 0.00 H new ATOM 0 HA THR A 67 -7.720 4.093 -7.438 1.00 0.00 H new ATOM 0 HB THR A 67 -8.571 6.395 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.300 6.225 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.052 5.884 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.934 5.042 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.265 4.148 -10.288 1.00 0.00 H new ATOM 831 N LYS A 68 -10.613 4.602 -6.043 1.00 0.00 N ATOM 832 CA LYS A 68 -11.238 5.114 -4.793 1.00 0.00 C ATOM 833 C LYS A 68 -10.497 4.567 -3.566 1.00 0.00 C ATOM 834 O LYS A 68 -10.231 5.284 -2.622 1.00 0.00 O ATOM 835 CB LYS A 68 -12.703 4.680 -4.752 1.00 0.00 C ATOM 836 CG LYS A 68 -13.472 5.382 -5.875 1.00 0.00 C ATOM 837 CD LYS A 68 -14.940 4.949 -5.840 1.00 0.00 C ATOM 838 CE LYS A 68 -15.707 5.653 -6.959 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.086 5.094 -7.045 1.00 0.00 N ATOM 0 H LYS A 68 -11.228 4.056 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.177 6.202 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.777 3.599 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.141 4.929 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.398 6.463 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.032 5.134 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.014 3.868 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.380 5.195 -4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.749 6.725 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.189 5.520 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.608 5.573 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.036 4.075 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.578 5.243 -6.141 1.00 0.00 H new ATOM 853 N GLU A 69 -10.153 3.309 -3.567 1.00 0.00 N ATOM 854 CA GLU A 69 -9.425 2.747 -2.393 1.00 0.00 C ATOM 855 C GLU A 69 -8.035 3.381 -2.288 1.00 0.00 C ATOM 856 O GLU A 69 -7.548 3.653 -1.209 1.00 0.00 O ATOM 857 CB GLU A 69 -9.280 1.226 -2.525 1.00 0.00 C ATOM 858 CG GLU A 69 -10.630 0.544 -2.276 1.00 0.00 C ATOM 859 CD GLU A 69 -10.453 -0.974 -2.356 1.00 0.00 C ATOM 860 OE1 GLU A 69 -9.323 -1.411 -2.494 1.00 0.00 O ATOM 861 OE2 GLU A 69 -11.449 -1.673 -2.271 1.00 0.00 O ATOM 0 H GLU A 69 -10.342 2.650 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.999 2.971 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.914 0.973 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.542 0.860 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.017 0.825 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.360 0.876 -3.015 1.00 0.00 H new ATOM 868 N ARG A 70 -7.383 3.602 -3.398 1.00 0.00 N ATOM 869 CA ARG A 70 -6.015 4.195 -3.354 1.00 0.00 C ATOM 870 C ARG A 70 -6.044 5.562 -2.674 1.00 0.00 C ATOM 871 O ARG A 70 -5.188 5.874 -1.871 1.00 0.00 O ATOM 872 CB ARG A 70 -5.481 4.352 -4.783 1.00 0.00 C ATOM 873 CG ARG A 70 -4.087 4.988 -4.750 1.00 0.00 C ATOM 874 CD ARG A 70 -3.495 4.975 -6.159 1.00 0.00 C ATOM 875 NE ARG A 70 -2.083 5.490 -6.132 1.00 0.00 N ATOM 876 CZ ARG A 70 -1.790 6.695 -5.718 1.00 0.00 C ATOM 877 NH1 ARG A 70 -2.735 7.551 -5.435 1.00 0.00 N ATOM 878 NH2 ARG A 70 -0.538 7.060 -5.630 1.00 0.00 N ATOM 0 H ARG A 70 -7.738 3.398 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.365 3.532 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.435 3.379 -5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.160 4.972 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.150 6.011 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.440 4.439 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.513 3.962 -6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.102 5.591 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.329 4.879 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.714 7.282 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.494 8.488 -5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.203 6.406 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.302 7.999 -5.308 1.00 0.00 H new ATOM 892 N GLU A 71 -7.007 6.381 -2.976 1.00 0.00 N ATOM 893 CA GLU A 71 -7.055 7.719 -2.325 1.00 0.00 C ATOM 894 C GLU A 71 -7.169 7.528 -0.811 1.00 0.00 C ATOM 895 O GLU A 71 -6.555 8.237 -0.038 1.00 0.00 O ATOM 896 CB GLU A 71 -8.261 8.513 -2.849 1.00 0.00 C ATOM 897 CG GLU A 71 -7.948 9.110 -4.229 1.00 0.00 C ATOM 898 CD GLU A 71 -7.898 8.000 -5.280 1.00 0.00 C ATOM 899 OE1 GLU A 71 -6.967 7.214 -5.240 1.00 0.00 O ATOM 900 OE2 GLU A 71 -8.792 7.958 -6.109 1.00 0.00 O ATOM 0 H GLU A 71 -7.758 6.187 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.147 8.275 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.132 7.862 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.512 9.310 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.708 9.843 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.994 9.637 -4.199 1.00 0.00 H new ATOM 907 N GLN A 72 -7.948 6.574 -0.382 1.00 0.00 N ATOM 908 CA GLN A 72 -8.105 6.345 1.081 1.00 0.00 C ATOM 909 C GLN A 72 -6.778 5.849 1.665 1.00 0.00 C ATOM 910 O GLN A 72 -6.392 6.235 2.750 1.00 0.00 O ATOM 911 CB GLN A 72 -9.192 5.299 1.319 1.00 0.00 C ATOM 912 CG GLN A 72 -10.551 5.901 0.961 1.00 0.00 C ATOM 913 CD GLN A 72 -11.622 4.809 0.997 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.313 3.645 1.160 1.00 0.00 O ATOM 915 NE2 GLN A 72 -12.878 5.135 0.846 1.00 0.00 N ATOM 0 H GLN A 72 -8.482 5.944 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.389 7.278 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.001 4.414 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.185 4.979 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.804 6.696 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.510 6.352 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.139 6.112 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.598 4.413 0.865 1.00 0.00 H new ATOM 924 N VAL A 73 -6.083 4.994 0.965 1.00 0.00 N ATOM 925 CA VAL A 73 -4.788 4.480 1.501 1.00 0.00 C ATOM 926 C VAL A 73 -3.748 5.608 1.496 1.00 0.00 C ATOM 927 O VAL A 73 -3.025 5.799 2.454 1.00 0.00 O ATOM 928 CB VAL A 73 -4.293 3.326 0.624 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.904 2.887 1.091 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.263 2.146 0.731 1.00 0.00 C ATOM 0 H VAL A 73 -6.353 4.630 0.051 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.934 4.124 2.521 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.240 3.659 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.553 2.066 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.212 3.725 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.956 2.557 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.909 1.326 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.319 1.814 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.252 2.457 0.395 1.00 0.00 H new ATOM 940 N ILE A 74 -3.669 6.358 0.429 1.00 0.00 N ATOM 941 CA ILE A 74 -2.679 7.477 0.368 1.00 0.00 C ATOM 942 C ILE A 74 -2.966 8.486 1.487 1.00 0.00 C ATOM 943 O ILE A 74 -2.063 8.974 2.138 1.00 0.00 O ATOM 944 CB ILE A 74 -2.779 8.183 -0.996 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.296 7.252 -2.128 1.00 0.00 C ATOM 946 CG2 ILE A 74 -1.937 9.464 -0.988 1.00 0.00 C ATOM 947 CD1 ILE A 74 -0.856 6.772 -1.886 1.00 0.00 C ATOM 0 H ILE A 74 -4.247 6.245 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.675 7.073 0.495 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.824 8.438 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.960 6.391 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.350 7.778 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.014 9.956 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.302 10.135 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.895 9.213 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.548 6.118 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.189 7.633 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.808 6.224 -0.945 1.00 0.00 H new ATOM 959 N ALA A 75 -4.210 8.816 1.705 1.00 0.00 N ATOM 960 CA ALA A 75 -4.539 9.807 2.770 1.00 0.00 C ATOM 961 C ALA A 75 -4.056 9.288 4.124 1.00 0.00 C ATOM 962 O ALA A 75 -3.485 10.017 4.912 1.00 0.00 O ATOM 963 CB ALA A 75 -6.052 10.027 2.817 1.00 0.00 C ATOM 0 H ALA A 75 -5.010 8.444 1.194 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.042 10.751 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.290 10.751 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.395 10.404 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.550 9.083 3.035 1.00 0.00 H new ATOM 969 N HIS A 76 -4.279 8.036 4.403 1.00 0.00 N ATOM 970 CA HIS A 76 -3.830 7.479 5.706 1.00 0.00 C ATOM 971 C HIS A 76 -2.305 7.577 5.788 1.00 0.00 C ATOM 972 O HIS A 76 -1.748 7.933 6.809 1.00 0.00 O ATOM 973 CB HIS A 76 -4.257 6.014 5.800 1.00 0.00 C ATOM 974 CG HIS A 76 -3.829 5.448 7.122 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.678 5.412 8.216 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.649 4.892 7.544 1.00 0.00 C ATOM 977 CE1 HIS A 76 -4.002 4.850 9.234 1.00 0.00 C ATOM 978 NE2 HIS A 76 -2.760 4.512 8.877 1.00 0.00 N ATOM 0 H HIS A 76 -4.752 7.376 3.786 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.278 8.039 6.527 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.338 5.932 5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.811 5.442 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.767 4.768 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.413 4.691 10.220 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.047 4.070 9.457 1.00 0.00 H new ATOM 986 N LEU A 77 -1.626 7.270 4.714 1.00 0.00 N ATOM 987 CA LEU A 77 -0.136 7.352 4.719 1.00 0.00 C ATOM 988 C LEU A 77 0.302 8.816 4.778 1.00 0.00 C ATOM 989 O LEU A 77 1.337 9.146 5.320 1.00 0.00 O ATOM 990 CB LEU A 77 0.425 6.722 3.443 1.00 0.00 C ATOM 991 CG LEU A 77 0.221 5.200 3.476 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.577 4.615 2.104 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.107 4.560 4.571 1.00 0.00 C ATOM 0 H LEU A 77 -2.040 6.966 3.833 1.00 0.00 H new ATOM 0 HA LEU A 77 0.241 6.817 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.072 7.145 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.486 6.953 3.349 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.822 4.982 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.434 3.535 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.068 5.054 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.618 4.840 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.951 3.481 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.155 4.773 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.840 4.975 5.543 1.00 0.00 H new