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=-3.6!,f=-14!) USER MOD Set 1.2: A 60 TYR OH : rot 146:sc= -1.92! USER MOD Set 2.1: A 28 MET CE :methyl -144:sc= -0.108 (180deg=-0.0968) USER MOD Set 2.2: A 65 MET CE :methyl 153:sc= -0.0291 (180deg=-1.1) USER MOD Single : A 14 SER OG : rot 27:sc= 0.538 USER MOD Single : A 17 CYS SG : rot -116:sc= 0.851 USER MOD Single : A 18 SER OG : rot 73:sc= 0.088 USER MOD Single : A 20 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.7) USER MOD Single : A 23 MET CE :methyl 154:sc= -0.232 (180deg=-1.35) 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= -0.0233 K(o=-0.023,f=-1.3!) USER MOD Single : A 42 GLN : amide:sc= -3.08! C(o=-3.1!,f=-7.5!) 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 154:sc= -0.104 (180deg=-0.898) USER MOD Single : A 64 SER OG : rot -64:sc= 0.689 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.73) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.96 F(o=-3!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 6.568 0.125 -8.758 1.00 0.00 N ATOM 24 CA SER A 14 5.390 -0.674 -8.310 1.00 0.00 C ATOM 25 C SER A 14 5.121 -0.408 -6.822 1.00 0.00 C ATOM 26 O SER A 14 5.942 0.158 -6.129 1.00 0.00 O ATOM 27 CB SER A 14 5.680 -2.163 -8.523 1.00 0.00 C ATOM 28 OG SER A 14 6.377 -2.332 -9.748 1.00 0.00 O ATOM 0 HA SER A 14 4.512 -0.386 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.274 -2.552 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.748 -2.728 -8.540 1.00 0.00 H new ATOM 0 HG SER A 14 6.882 -1.518 -9.952 1.00 0.00 H new ATOM 34 N ILE A 15 3.980 -0.827 -6.325 1.00 0.00 N ATOM 35 CA ILE A 15 3.651 -0.623 -4.876 1.00 0.00 C ATOM 36 C ILE A 15 3.093 -1.927 -4.299 1.00 0.00 C ATOM 37 O ILE A 15 2.210 -2.538 -4.867 1.00 0.00 O ATOM 38 CB ILE A 15 2.595 0.482 -4.729 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.084 1.785 -5.416 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.355 0.738 -3.235 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.573 1.851 -6.861 1.00 0.00 C ATOM 0 H ILE A 15 3.258 -1.305 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 15 4.555 -0.332 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 15 1.667 0.168 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.731 2.652 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.173 1.822 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.606 1.521 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.001 -0.178 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.287 1.052 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.924 2.770 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.948 0.993 -7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.483 1.836 -6.863 1.00 0.00 H new ATOM 53 N TRP A 16 3.597 -2.356 -3.172 1.00 0.00 N ATOM 54 CA TRP A 16 3.096 -3.618 -2.548 1.00 0.00 C ATOM 55 C TRP A 16 3.155 -3.460 -1.027 1.00 0.00 C ATOM 56 O TRP A 16 4.158 -3.039 -0.487 1.00 0.00 O ATOM 57 CB TRP A 16 3.996 -4.783 -2.969 1.00 0.00 C ATOM 58 CG TRP A 16 4.071 -4.861 -4.462 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.806 -4.039 -5.247 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.416 -5.805 -5.360 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.643 -4.417 -6.567 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.795 -5.500 -6.688 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.539 -6.885 -5.154 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.321 -6.240 -7.773 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.061 -7.631 -6.241 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.451 -7.311 -7.548 1.00 0.00 C ATOM 0 H TRP A 16 4.338 -1.885 -2.654 1.00 0.00 H new ATOM 0 HA TRP A 16 2.073 -3.817 -2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.995 -4.650 -2.553 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.606 -5.718 -2.567 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.420 -3.221 -4.899 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.094 -3.953 -7.355 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.231 -7.142 -4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.624 -5.987 -8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.388 -8.458 -6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.080 -7.891 -8.380 1.00 0.00 H new ATOM 77 N CYS A 17 2.090 -3.774 -0.328 1.00 0.00 N ATOM 78 CA CYS A 17 2.099 -3.615 1.163 1.00 0.00 C ATOM 79 C CYS A 17 1.390 -4.786 1.849 1.00 0.00 C ATOM 80 O CYS A 17 0.492 -5.398 1.305 1.00 0.00 O ATOM 81 CB CYS A 17 1.389 -2.312 1.528 1.00 0.00 C ATOM 82 SG CYS A 17 2.454 -0.911 1.109 1.00 0.00 S ATOM 0 H CYS A 17 1.220 -4.131 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 17 3.134 -3.595 1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.443 -2.237 0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.154 -2.299 2.592 1.00 0.00 H new ATOM 0 HG CYS A 17 2.779 -0.274 2.194 1.00 0.00 H new ATOM 88 N SER A 18 1.794 -5.080 3.055 1.00 0.00 N ATOM 89 CA SER A 18 1.163 -6.187 3.825 1.00 0.00 C ATOM 90 C SER A 18 -0.208 -5.714 4.340 1.00 0.00 C ATOM 91 O SER A 18 -0.487 -4.529 4.397 1.00 0.00 O ATOM 92 CB SER A 18 2.092 -6.568 5.001 1.00 0.00 C ATOM 93 OG SER A 18 3.129 -5.600 5.102 1.00 0.00 O ATOM 0 H SER A 18 2.545 -4.593 3.545 1.00 0.00 H new ATOM 0 HA SER A 18 1.017 -7.064 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.525 -6.611 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.516 -7.559 4.840 1.00 0.00 H new ATOM 0 HG SER A 18 2.763 -4.765 5.463 1.00 0.00 H new ATOM 99 N PRO A 19 -1.060 -6.636 4.703 1.00 0.00 N ATOM 100 CA PRO A 19 -2.424 -6.309 5.207 1.00 0.00 C ATOM 101 C PRO A 19 -2.386 -5.430 6.467 1.00 0.00 C ATOM 102 O PRO A 19 -3.310 -4.693 6.740 1.00 0.00 O ATOM 103 CB PRO A 19 -3.066 -7.683 5.492 1.00 0.00 C ATOM 104 CG PRO A 19 -1.925 -8.653 5.569 1.00 0.00 C ATOM 105 CD PRO A 19 -0.817 -8.086 4.679 1.00 0.00 C ATOM 0 HA PRO A 19 -2.993 -5.725 4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.630 -7.666 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.764 -7.961 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.579 -8.765 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.231 -9.641 5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.172 -8.333 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.873 -8.485 3.666 1.00 0.00 H new ATOM 113 N GLN A 20 -1.325 -5.479 7.232 1.00 0.00 N ATOM 114 CA GLN A 20 -1.271 -4.623 8.448 1.00 0.00 C ATOM 115 C GLN A 20 -1.385 -3.165 8.008 1.00 0.00 C ATOM 116 O GLN A 20 -2.122 -2.384 8.580 1.00 0.00 O ATOM 117 CB GLN A 20 0.065 -4.831 9.172 1.00 0.00 C ATOM 118 CG GLN A 20 0.119 -6.232 9.811 1.00 0.00 C ATOM 119 CD GLN A 20 0.562 -7.264 8.769 1.00 0.00 C ATOM 120 OE1 GLN A 20 -0.202 -8.130 8.396 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.772 -7.209 8.284 1.00 0.00 N ATOM 0 H GLN A 20 -0.507 -6.066 7.069 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.084 -4.884 9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.889 -4.714 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.191 -4.069 9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.812 -6.231 10.652 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.861 -6.499 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.414 -6.481 8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.076 -7.894 7.592 1.00 0.00 H new ATOM 130 N GLU A 21 -0.680 -2.800 6.974 1.00 0.00 N ATOM 131 CA GLU A 21 -0.764 -1.404 6.476 1.00 0.00 C ATOM 132 C GLU A 21 -2.209 -1.127 6.068 1.00 0.00 C ATOM 133 O GLU A 21 -2.761 -0.085 6.363 1.00 0.00 O ATOM 134 CB GLU A 21 0.154 -1.244 5.264 1.00 0.00 C ATOM 135 CG GLU A 21 1.612 -1.308 5.725 1.00 0.00 C ATOM 136 CD GLU A 21 2.540 -1.165 4.519 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.645 -0.064 4.005 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.129 -2.159 4.125 1.00 0.00 O ATOM 0 H GLU A 21 -0.050 -3.410 6.454 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.454 -0.704 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.045 -2.031 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.042 -0.294 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.811 -0.514 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.802 -2.254 6.232 1.00 0.00 H new ATOM 145 N ILE A 22 -2.834 -2.060 5.401 1.00 0.00 N ATOM 146 CA ILE A 22 -4.250 -1.846 4.991 1.00 0.00 C ATOM 147 C ILE A 22 -5.141 -1.799 6.239 1.00 0.00 C ATOM 148 O ILE A 22 -5.961 -0.914 6.389 1.00 0.00 O ATOM 149 CB ILE A 22 -4.707 -2.982 4.059 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.992 -2.854 2.707 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.223 -2.899 3.851 1.00 0.00 C ATOM 152 CD1 ILE A 22 -4.274 -4.093 1.845 1.00 0.00 C ATOM 0 H ILE A 22 -2.428 -2.954 5.125 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.331 -0.901 4.455 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.459 -3.943 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.331 -1.956 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.919 -2.746 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.544 -3.704 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.728 -2.995 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.477 -1.939 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.763 -3.994 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.912 -4.984 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.347 -4.182 1.676 1.00 0.00 H new ATOM 164 N MET A 23 -5.006 -2.746 7.132 1.00 0.00 N ATOM 165 CA MET A 23 -5.862 -2.756 8.355 1.00 0.00 C ATOM 166 C MET A 23 -5.890 -1.373 9.012 1.00 0.00 C ATOM 167 O MET A 23 -6.799 -1.056 9.753 1.00 0.00 O ATOM 168 CB MET A 23 -5.290 -3.759 9.362 1.00 0.00 C ATOM 169 CG MET A 23 -5.576 -5.190 8.906 1.00 0.00 C ATOM 170 SD MET A 23 -4.701 -6.340 9.996 1.00 0.00 S ATOM 171 CE MET A 23 -5.576 -5.933 11.527 1.00 0.00 C ATOM 0 H MET A 23 -4.338 -3.514 7.066 1.00 0.00 H new ATOM 0 HA MET A 23 -6.875 -3.034 8.064 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.215 -3.610 9.463 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.729 -3.589 10.345 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.648 -5.387 8.933 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.252 -5.328 7.874 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.547 -6.789 12.201 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.096 -5.079 12.005 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.613 -5.685 11.299 1.00 0.00 H new ATOM 181 N ALA A 24 -4.907 -0.552 8.773 1.00 0.00 N ATOM 182 CA ALA A 24 -4.904 0.792 9.423 1.00 0.00 C ATOM 183 C ALA A 24 -5.854 1.738 8.686 1.00 0.00 C ATOM 184 O ALA A 24 -6.155 2.815 9.159 1.00 0.00 O ATOM 185 CB ALA A 24 -3.487 1.365 9.379 1.00 0.00 C ATOM 0 H ALA A 24 -4.113 -0.748 8.163 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.236 0.691 10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.477 2.347 9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.808 0.699 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.164 1.458 8.342 1.00 0.00 H new ATOM 191 N ALA A 25 -6.339 1.346 7.538 1.00 0.00 N ATOM 192 CA ALA A 25 -7.279 2.230 6.786 1.00 0.00 C ATOM 193 C ALA A 25 -8.705 2.007 7.295 1.00 0.00 C ATOM 194 O ALA A 25 -9.181 0.893 7.368 1.00 0.00 O ATOM 195 CB ALA A 25 -7.216 1.899 5.296 1.00 0.00 C ATOM 0 H ALA A 25 -6.126 0.455 7.089 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.994 3.271 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.903 2.546 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.201 2.057 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.499 0.858 5.142 1.00 0.00 H new ATOM 201 N ASP A 26 -9.392 3.059 7.639 1.00 0.00 N ATOM 202 CA ASP A 26 -10.790 2.909 8.133 1.00 0.00 C ATOM 203 C ASP A 26 -11.663 2.286 7.035 1.00 0.00 C ATOM 204 O ASP A 26 -12.515 1.463 7.300 1.00 0.00 O ATOM 205 CB ASP A 26 -11.342 4.279 8.523 1.00 0.00 C ATOM 206 CG ASP A 26 -10.635 4.767 9.788 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.334 3.934 10.629 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.399 5.957 9.893 1.00 0.00 O ATOM 0 H ASP A 26 -9.046 4.018 7.600 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.799 2.257 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.190 4.990 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.417 4.216 8.695 1.00 0.00 H new ATOM 213 N GLY A 27 -11.463 2.687 5.806 1.00 0.00 N ATOM 214 CA GLY A 27 -12.284 2.139 4.682 1.00 0.00 C ATOM 215 C GLY A 27 -12.149 0.614 4.603 1.00 0.00 C ATOM 216 O GLY A 27 -12.897 -0.040 3.904 1.00 0.00 O ATOM 0 H GLY A 27 -10.762 3.375 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.330 2.409 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.965 2.586 3.741 1.00 0.00 H new ATOM 220 N MET A 28 -11.209 0.041 5.314 1.00 0.00 N ATOM 221 CA MET A 28 -11.025 -1.450 5.288 1.00 0.00 C ATOM 222 C MET A 28 -10.978 -1.958 6.730 1.00 0.00 C ATOM 223 O MET A 28 -9.924 -2.229 7.268 1.00 0.00 O ATOM 224 CB MET A 28 -9.708 -1.786 4.586 1.00 0.00 C ATOM 225 CG MET A 28 -9.656 -1.078 3.227 1.00 0.00 C ATOM 226 SD MET A 28 -8.619 -2.027 2.093 1.00 0.00 S ATOM 227 CE MET A 28 -8.645 -0.839 0.734 1.00 0.00 C ATOM 0 H MET A 28 -10.556 0.542 5.916 1.00 0.00 H new ATOM 0 HA MET A 28 -11.848 -1.922 4.752 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.865 -1.474 5.203 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.621 -2.864 4.450 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.662 -0.977 2.819 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.257 -0.070 3.345 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.660 -1.373 -0.216 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.535 -0.215 0.813 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.756 -0.211 0.783 1.00 0.00 H new ATOM 237 N PRO A 29 -12.120 -2.052 7.362 1.00 0.00 N ATOM 238 CA PRO A 29 -12.232 -2.492 8.781 1.00 0.00 C ATOM 239 C PRO A 29 -12.278 -4.009 8.954 1.00 0.00 C ATOM 240 O PRO A 29 -12.390 -4.759 8.003 1.00 0.00 O ATOM 241 CB PRO A 29 -13.560 -1.879 9.208 1.00 0.00 C ATOM 242 CG PRO A 29 -14.403 -1.964 7.975 1.00 0.00 C ATOM 243 CD PRO A 29 -13.448 -1.753 6.791 1.00 0.00 C ATOM 0 HA PRO A 29 -11.366 -2.182 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.006 -2.428 10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.437 -0.848 9.539 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.899 -2.932 7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.185 -1.205 7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.686 -2.417 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.501 -0.733 6.410 1.00 0.00 H new ATOM 251 N GLY A 30 -12.179 -4.460 10.177 1.00 0.00 N ATOM 252 CA GLY A 30 -12.199 -5.921 10.456 1.00 0.00 C ATOM 253 C GLY A 30 -10.758 -6.392 10.594 1.00 0.00 C ATOM 254 O GLY A 30 -9.836 -5.702 10.205 1.00 0.00 O ATOM 0 H GLY A 30 -12.084 -3.868 11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.757 -6.127 11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.700 -6.456 9.649 1.00 0.00 H new ATOM 258 N SER A 31 -10.543 -7.547 11.144 1.00 0.00 N ATOM 259 CA SER A 31 -9.147 -8.028 11.301 1.00 0.00 C ATOM 260 C SER A 31 -8.585 -8.361 9.927 1.00 0.00 C ATOM 261 O SER A 31 -9.146 -8.000 8.912 1.00 0.00 O ATOM 262 CB SER A 31 -9.119 -9.281 12.177 1.00 0.00 C ATOM 263 OG SER A 31 -9.972 -10.267 11.610 1.00 0.00 O ATOM 0 H SER A 31 -11.267 -8.177 11.490 1.00 0.00 H new ATOM 0 HA SER A 31 -8.547 -7.252 11.775 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.101 -9.664 12.253 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.445 -9.039 13.189 1.00 0.00 H new ATOM 0 HG SER A 31 -9.956 -11.073 12.167 1.00 0.00 H new ATOM 269 N VAL A 32 -7.471 -9.026 9.883 1.00 0.00 N ATOM 270 CA VAL A 32 -6.865 -9.351 8.569 1.00 0.00 C ATOM 271 C VAL A 32 -7.882 -10.096 7.704 1.00 0.00 C ATOM 272 O VAL A 32 -8.023 -9.819 6.529 1.00 0.00 O ATOM 273 CB VAL A 32 -5.634 -10.226 8.779 1.00 0.00 C ATOM 274 CG1 VAL A 32 -5.007 -10.527 7.423 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.622 -9.487 9.660 1.00 0.00 C ATOM 0 H VAL A 32 -6.955 -9.358 10.698 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.573 -8.428 8.067 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.921 -11.156 9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.125 -11.153 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.729 -11.051 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.718 -9.593 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.743 -10.114 9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.326 -8.557 9.173 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.075 -9.263 10.626 1.00 0.00 H new ATOM 285 N ALA A 33 -8.590 -11.041 8.258 1.00 0.00 N ATOM 286 CA ALA A 33 -9.583 -11.788 7.438 1.00 0.00 C ATOM 287 C ALA A 33 -10.615 -10.803 6.874 1.00 0.00 C ATOM 288 O ALA A 33 -11.045 -10.923 5.746 1.00 0.00 O ATOM 289 CB ALA A 33 -10.286 -12.833 8.314 1.00 0.00 C ATOM 0 H ALA A 33 -8.525 -11.326 9.235 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.077 -12.293 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.013 -13.380 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.548 -13.529 8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.797 -12.333 9.137 1.00 0.00 H new ATOM 295 N GLY A 34 -11.015 -9.829 7.648 1.00 0.00 N ATOM 296 CA GLY A 34 -12.017 -8.839 7.144 1.00 0.00 C ATOM 297 C GLY A 34 -11.464 -8.123 5.908 1.00 0.00 C ATOM 298 O GLY A 34 -12.162 -7.918 4.929 1.00 0.00 O ATOM 0 H GLY A 34 -10.694 -9.675 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.949 -9.346 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.248 -8.113 7.923 1.00 0.00 H new ATOM 302 N VAL A 35 -10.212 -7.752 5.930 1.00 0.00 N ATOM 303 CA VAL A 35 -9.626 -7.068 4.742 1.00 0.00 C ATOM 304 C VAL A 35 -9.667 -8.044 3.568 1.00 0.00 C ATOM 305 O VAL A 35 -9.988 -7.691 2.451 1.00 0.00 O ATOM 306 CB VAL A 35 -8.168 -6.685 5.048 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.422 -6.317 3.750 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.159 -5.491 6.010 1.00 0.00 C ATOM 0 H VAL A 35 -9.574 -7.892 6.713 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.187 -6.165 4.501 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.661 -7.535 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.392 -6.049 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.429 -7.171 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.917 -5.471 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.129 -5.212 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.672 -4.648 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.669 -5.764 6.934 1.00 0.00 H new ATOM 318 N HIS A 36 -9.348 -9.276 3.838 1.00 0.00 N ATOM 319 CA HIS A 36 -9.360 -10.314 2.781 1.00 0.00 C ATOM 320 C HIS A 36 -10.777 -10.457 2.229 1.00 0.00 C ATOM 321 O HIS A 36 -10.972 -10.769 1.072 1.00 0.00 O ATOM 322 CB HIS A 36 -8.899 -11.645 3.382 1.00 0.00 C ATOM 323 CG HIS A 36 -7.402 -11.639 3.522 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.734 -10.777 4.376 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.432 -12.384 2.911 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.417 -11.026 4.251 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.179 -11.999 3.371 1.00 0.00 N ATOM 0 H HIS A 36 -9.075 -9.610 4.762 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.688 -10.029 1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.365 -11.798 4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.212 -12.472 2.745 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.161 -10.081 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.613 -13.157 2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.647 -10.501 4.797 1.00 0.00 H new ATOM 335 N TYR A 37 -11.772 -10.235 3.042 1.00 0.00 N ATOM 336 CA TYR A 37 -13.161 -10.370 2.536 1.00 0.00 C ATOM 337 C TYR A 37 -13.325 -9.406 1.361 1.00 0.00 C ATOM 338 O TYR A 37 -13.907 -9.738 0.348 1.00 0.00 O ATOM 339 CB TYR A 37 -14.156 -10.014 3.649 1.00 0.00 C ATOM 340 CG TYR A 37 -15.570 -10.181 3.143 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.227 -9.107 2.530 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.224 -11.412 3.286 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.539 -9.266 2.061 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.534 -11.569 2.818 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.190 -10.496 2.203 1.00 0.00 C ATOM 346 OH TYR A 37 -19.483 -10.648 1.741 1.00 0.00 O ATOM 0 H TYR A 37 -11.683 -9.969 4.023 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.354 -11.394 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.992 -10.655 4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.996 -8.987 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.724 -8.158 2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.717 -12.241 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.047 -8.438 1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.038 -12.517 2.931 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.788 -11.563 1.916 1.00 0.00 H new ATOM 356 N ARG A 38 -12.786 -8.218 1.474 1.00 0.00 N ATOM 357 CA ARG A 38 -12.891 -7.249 0.341 1.00 0.00 C ATOM 358 C ARG A 38 -12.184 -7.830 -0.896 1.00 0.00 C ATOM 359 O ARG A 38 -12.686 -7.755 -1.999 1.00 0.00 O ATOM 360 CB ARG A 38 -12.228 -5.917 0.740 1.00 0.00 C ATOM 361 CG ARG A 38 -13.177 -5.089 1.628 1.00 0.00 C ATOM 362 CD ARG A 38 -14.131 -4.257 0.755 1.00 0.00 C ATOM 363 NE ARG A 38 -13.429 -3.017 0.311 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.936 -2.276 -0.637 1.00 0.00 C ATOM 365 NH1 ARG A 38 -15.066 -2.608 -1.201 1.00 0.00 N ATOM 366 NH2 ARG A 38 -13.310 -1.198 -1.025 1.00 0.00 N ATOM 0 H ARG A 38 -12.282 -7.879 2.294 1.00 0.00 H new ATOM 0 HA ARG A 38 -13.941 -7.073 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.298 -6.112 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.969 -5.350 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.750 -5.751 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.598 -4.431 2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.452 -4.838 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -15.028 -4.000 1.318 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.549 -2.747 0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.557 -3.450 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.457 -2.025 -1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.427 -0.936 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.704 -0.618 -1.765 1.00 0.00 H new ATOM 380 N ALA A 39 -11.016 -8.395 -0.720 1.00 0.00 N ATOM 381 CA ALA A 39 -10.272 -8.967 -1.887 1.00 0.00 C ATOM 382 C ALA A 39 -10.800 -10.364 -2.214 1.00 0.00 C ATOM 383 O ALA A 39 -10.300 -11.036 -3.096 1.00 0.00 O ATOM 384 CB ALA A 39 -8.783 -9.070 -1.553 1.00 0.00 C ATOM 0 H ALA A 39 -10.545 -8.486 0.180 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.416 -8.311 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.247 -9.487 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.391 -8.078 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.648 -9.719 -0.687 1.00 0.00 H new ATOM 390 N ASN A 40 -11.809 -10.808 -1.523 1.00 0.00 N ATOM 391 CA ASN A 40 -12.364 -12.157 -1.815 1.00 0.00 C ATOM 392 C ASN A 40 -13.245 -12.086 -3.064 1.00 0.00 C ATOM 393 O ASN A 40 -13.112 -12.869 -3.983 1.00 0.00 O ATOM 394 CB ASN A 40 -13.193 -12.632 -0.626 1.00 0.00 C ATOM 395 CG ASN A 40 -13.572 -14.097 -0.830 1.00 0.00 C ATOM 396 OD1 ASN A 40 -12.805 -14.864 -1.383 1.00 0.00 O ATOM 397 ND2 ASN A 40 -14.732 -14.520 -0.414 1.00 0.00 N ATOM 0 H ASN A 40 -12.273 -10.298 -0.771 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.548 -12.859 -1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.626 -12.516 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.091 -12.022 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.999 -15.495 -0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -15.373 -13.876 0.049 1.00 0.00 H new ATOM 404 N VAL A 41 -14.150 -11.149 -3.092 1.00 0.00 N ATOM 405 CA VAL A 41 -15.053 -11.015 -4.268 1.00 0.00 C ATOM 406 C VAL A 41 -14.258 -10.502 -5.475 1.00 0.00 C ATOM 407 O VAL A 41 -14.342 -11.044 -6.559 1.00 0.00 O ATOM 408 CB VAL A 41 -16.180 -10.032 -3.930 1.00 0.00 C ATOM 409 CG1 VAL A 41 -17.055 -9.809 -5.166 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.034 -10.597 -2.783 1.00 0.00 C ATOM 0 H VAL A 41 -14.304 -10.468 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.481 -11.987 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.748 -9.081 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.856 -9.110 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.447 -9.399 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.486 -10.759 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.834 -9.896 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.466 -11.551 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.409 -10.746 -1.903 1.00 0.00 H new ATOM 420 N GLN A 42 -13.494 -9.459 -5.297 1.00 0.00 N ATOM 421 CA GLN A 42 -12.701 -8.905 -6.435 1.00 0.00 C ATOM 422 C GLN A 42 -11.398 -9.689 -6.592 1.00 0.00 C ATOM 423 O GLN A 42 -10.861 -10.224 -5.643 1.00 0.00 O ATOM 424 CB GLN A 42 -12.376 -7.435 -6.161 1.00 0.00 C ATOM 425 CG GLN A 42 -13.660 -6.603 -6.203 1.00 0.00 C ATOM 426 CD GLN A 42 -14.503 -6.893 -4.959 1.00 0.00 C ATOM 427 OE1 GLN A 42 -13.973 -7.149 -3.897 1.00 0.00 O ATOM 428 NE2 GLN A 42 -15.806 -6.859 -5.046 1.00 0.00 N ATOM 0 H GLN A 42 -13.384 -8.965 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.285 -8.989 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.898 -7.334 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.668 -7.065 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.416 -5.542 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.229 -6.839 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.252 -6.644 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.377 -7.047 -4.222 1.00 0.00 H new ATOM 437 N GLY A 43 -10.881 -9.752 -7.790 1.00 0.00 N ATOM 438 CA GLY A 43 -9.609 -10.491 -8.031 1.00 0.00 C ATOM 439 C GLY A 43 -8.422 -9.532 -7.891 1.00 0.00 C ATOM 440 O GLY A 43 -7.717 -9.263 -8.844 1.00 0.00 O ATOM 0 H GLY A 43 -11.289 -9.319 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.513 -11.311 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.617 -10.933 -9.027 1.00 0.00 H new ATOM 444 N TRP A 44 -8.194 -9.018 -6.711 1.00 0.00 N ATOM 445 CA TRP A 44 -7.046 -8.077 -6.514 1.00 0.00 C ATOM 446 C TRP A 44 -5.748 -8.800 -6.872 1.00 0.00 C ATOM 447 O TRP A 44 -5.673 -10.013 -6.839 1.00 0.00 O ATOM 448 CB TRP A 44 -6.922 -7.663 -5.036 1.00 0.00 C ATOM 449 CG TRP A 44 -8.055 -6.791 -4.594 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.212 -6.596 -5.263 1.00 0.00 C ATOM 451 CD2 TRP A 44 -8.147 -5.993 -3.375 1.00 0.00 C ATOM 452 NE1 TRP A 44 -10.014 -5.738 -4.527 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.400 -5.339 -3.357 1.00 0.00 C ATOM 454 CE3 TRP A 44 -7.271 -5.778 -2.291 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.773 -4.502 -2.301 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.640 -4.940 -1.233 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.890 -4.303 -1.234 1.00 0.00 C ATOM 0 H TRP A 44 -8.749 -9.207 -5.876 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.218 -7.201 -7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.889 -8.556 -4.412 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.980 -7.135 -4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.470 -7.036 -6.215 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.945 -5.438 -4.815 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.307 -6.264 -2.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.736 -4.013 -2.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.958 -4.783 -0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.170 -3.660 -0.413 1.00 0.00 H new ATOM 468 N THR A 45 -4.708 -8.068 -7.156 1.00 0.00 N ATOM 469 CA THR A 45 -3.407 -8.723 -7.442 1.00 0.00 C ATOM 470 C THR A 45 -2.836 -9.136 -6.085 1.00 0.00 C ATOM 471 O THR A 45 -2.621 -8.308 -5.219 1.00 0.00 O ATOM 472 CB THR A 45 -2.480 -7.731 -8.158 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.839 -7.669 -9.531 1.00 0.00 O ATOM 474 CG2 THR A 45 -1.016 -8.169 -8.029 1.00 0.00 C ATOM 0 H THR A 45 -4.704 -7.049 -7.202 1.00 0.00 H new ATOM 0 HA THR A 45 -3.514 -9.590 -8.093 1.00 0.00 H new ATOM 0 HB THR A 45 -2.588 -6.749 -7.698 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.252 -7.036 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.375 -7.453 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.740 -8.211 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.890 -9.155 -8.477 1.00 0.00 H new ATOM 482 N LYS A 46 -2.644 -10.411 -5.874 1.00 0.00 N ATOM 483 CA LYS A 46 -2.150 -10.899 -4.549 1.00 0.00 C ATOM 484 C LYS A 46 -0.958 -11.833 -4.732 1.00 0.00 C ATOM 485 O LYS A 46 -0.849 -12.539 -5.715 1.00 0.00 O ATOM 486 CB LYS A 46 -3.287 -11.689 -3.899 1.00 0.00 C ATOM 487 CG LYS A 46 -4.487 -10.766 -3.662 1.00 0.00 C ATOM 488 CD LYS A 46 -5.636 -11.550 -3.010 1.00 0.00 C ATOM 489 CE LYS A 46 -6.109 -12.674 -3.947 1.00 0.00 C ATOM 490 NZ LYS A 46 -7.524 -13.022 -3.631 1.00 0.00 N ATOM 0 H LYS A 46 -2.809 -11.142 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.842 -10.052 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.577 -12.522 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.952 -12.116 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.195 -9.934 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.819 -10.338 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.306 -11.972 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.465 -10.878 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.025 -12.355 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.473 -13.551 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.844 -13.782 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.590 -13.343 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.126 -12.184 -3.764 1.00 0.00 H new ATOM 504 N ARG A 47 -0.076 -11.866 -3.766 1.00 0.00 N ATOM 505 CA ARG A 47 1.103 -12.780 -3.843 1.00 0.00 C ATOM 506 C ARG A 47 1.338 -13.356 -2.450 1.00 0.00 C ATOM 507 O ARG A 47 1.503 -12.638 -1.485 1.00 0.00 O ATOM 508 CB ARG A 47 2.347 -12.015 -4.321 1.00 0.00 C ATOM 509 CG ARG A 47 2.593 -10.787 -3.439 1.00 0.00 C ATOM 510 CD ARG A 47 3.669 -9.906 -4.082 1.00 0.00 C ATOM 511 NE ARG A 47 4.940 -10.672 -4.223 1.00 0.00 N ATOM 512 CZ ARG A 47 5.876 -10.230 -5.019 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.703 -9.107 -5.663 1.00 0.00 N ATOM 514 NH2 ARG A 47 6.984 -10.904 -5.170 1.00 0.00 N ATOM 0 H ARG A 47 -0.123 -11.295 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 47 0.912 -13.581 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.217 -12.671 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.215 -11.705 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.669 -10.222 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.909 -11.098 -2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.332 -9.562 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.836 -9.018 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 47 5.078 -11.537 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.839 -8.578 -5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.432 -8.759 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.121 -11.780 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.712 -10.555 -5.793 1.00 0.00 H new ATOM 678 N VAL A 58 1.660 -11.847 3.464 1.00 0.00 N ATOM 679 CA VAL A 58 1.054 -11.730 2.105 1.00 0.00 C ATOM 680 C VAL A 58 1.039 -10.243 1.729 1.00 0.00 C ATOM 681 O VAL A 58 1.091 -9.386 2.591 1.00 0.00 O ATOM 682 CB VAL A 58 -0.372 -12.307 2.115 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.139 -11.803 3.342 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.110 -11.878 0.842 1.00 0.00 C ATOM 0 HA VAL A 58 1.633 -12.293 1.372 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.311 -13.395 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.147 -12.219 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.621 -12.117 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.195 -10.715 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.120 -12.288 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.160 -10.790 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.575 -12.251 -0.032 1.00 0.00 H new ATOM 694 N GLU A 59 1.006 -9.923 0.454 1.00 0.00 N ATOM 695 CA GLU A 59 1.031 -8.478 0.032 1.00 0.00 C ATOM 696 C GLU A 59 -0.072 -8.179 -0.986 1.00 0.00 C ATOM 697 O GLU A 59 -0.542 -9.052 -1.696 1.00 0.00 O ATOM 698 CB GLU A 59 2.382 -8.180 -0.615 1.00 0.00 C ATOM 699 CG GLU A 59 3.502 -8.424 0.396 1.00 0.00 C ATOM 700 CD GLU A 59 3.457 -7.346 1.480 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.488 -6.181 1.125 1.00 0.00 O ATOM 702 OE2 GLU A 59 3.388 -7.704 2.642 1.00 0.00 O ATOM 0 H GLU A 59 0.963 -10.596 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 59 0.870 -7.857 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.525 -8.814 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.410 -7.147 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.392 -9.411 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.469 -8.409 -0.106 1.00 0.00 H new ATOM 709 N TYR A 60 -0.473 -6.929 -1.062 1.00 0.00 N ATOM 710 CA TYR A 60 -1.536 -6.504 -2.024 1.00 0.00 C ATOM 711 C TYR A 60 -1.016 -5.321 -2.850 1.00 0.00 C ATOM 712 O TYR A 60 -0.326 -4.460 -2.342 1.00 0.00 O ATOM 713 CB TYR A 60 -2.764 -6.053 -1.237 1.00 0.00 C ATOM 714 CG TYR A 60 -3.347 -7.237 -0.516 1.00 0.00 C ATOM 715 CD1 TYR A 60 -4.299 -8.038 -1.152 1.00 0.00 C ATOM 716 CD2 TYR A 60 -2.929 -7.542 0.785 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.839 -9.143 -0.489 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.469 -8.648 1.448 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.425 -9.449 0.810 1.00 0.00 C ATOM 720 OH TYR A 60 -4.958 -10.540 1.464 1.00 0.00 O ATOM 0 H TYR A 60 -0.099 -6.175 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.796 -7.334 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.489 -5.276 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.504 -5.620 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.618 -7.803 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.191 -6.924 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.576 -9.761 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.149 -8.885 2.452 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.276 -10.940 2.043 1.00 0.00 H new ATOM 730 N ASP A 61 -1.347 -5.263 -4.116 1.00 0.00 N ATOM 731 CA ASP A 61 -0.877 -4.126 -4.971 1.00 0.00 C ATOM 732 C ASP A 61 -2.004 -3.102 -5.115 1.00 0.00 C ATOM 733 O ASP A 61 -3.044 -3.388 -5.675 1.00 0.00 O ATOM 734 CB ASP A 61 -0.499 -4.650 -6.355 1.00 0.00 C ATOM 735 CG ASP A 61 0.158 -3.530 -7.164 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.112 -2.396 -6.714 1.00 0.00 O ATOM 737 OD2 ASP A 61 0.698 -3.827 -8.218 1.00 0.00 O ATOM 0 H ASP A 61 -1.923 -5.954 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.009 -3.658 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.184 -5.494 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.387 -5.014 -6.872 1.00 0.00 H new ATOM 742 N VAL A 62 -1.812 -1.914 -4.612 1.00 0.00 N ATOM 743 CA VAL A 62 -2.872 -0.875 -4.714 1.00 0.00 C ATOM 744 C VAL A 62 -3.088 -0.467 -6.176 1.00 0.00 C ATOM 745 O VAL A 62 -4.050 0.199 -6.505 1.00 0.00 O ATOM 746 CB VAL A 62 -2.451 0.348 -3.896 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.505 0.012 -2.401 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.024 0.752 -4.278 1.00 0.00 C ATOM 0 H VAL A 62 -0.962 -1.618 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.807 -1.280 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.131 1.174 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.205 0.885 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.521 -0.273 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.827 -0.815 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.724 1.623 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.344 -0.074 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.987 0.995 -5.340 1.00 0.00 H new ATOM 758 N MET A 63 -2.199 -0.841 -7.057 1.00 0.00 N ATOM 759 CA MET A 63 -2.361 -0.444 -8.487 1.00 0.00 C ATOM 760 C MET A 63 -3.478 -1.256 -9.150 1.00 0.00 C ATOM 761 O MET A 63 -3.872 -0.974 -10.263 1.00 0.00 O ATOM 762 CB MET A 63 -1.053 -0.695 -9.240 1.00 0.00 C ATOM 763 CG MET A 63 0.011 0.292 -8.757 1.00 0.00 C ATOM 764 SD MET A 63 1.560 -0.001 -9.649 1.00 0.00 S ATOM 765 CE MET A 63 1.031 0.585 -11.282 1.00 0.00 C ATOM 0 H MET A 63 -1.372 -1.401 -6.851 1.00 0.00 H new ATOM 0 HA MET A 63 -2.619 0.614 -8.523 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.717 -1.719 -9.075 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.211 -0.580 -10.312 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.327 1.315 -8.920 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.169 0.176 -7.685 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.900 0.925 -11.846 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.544 -0.228 -11.820 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.330 1.411 -11.163 1.00 0.00 H new ATOM 775 N SER A 64 -4.000 -2.253 -8.478 1.00 0.00 N ATOM 776 CA SER A 64 -5.101 -3.077 -9.077 1.00 0.00 C ATOM 777 C SER A 64 -6.425 -2.725 -8.400 1.00 0.00 C ATOM 778 O SER A 64 -7.490 -2.986 -8.924 1.00 0.00 O ATOM 779 CB SER A 64 -4.810 -4.559 -8.848 1.00 0.00 C ATOM 780 OG SER A 64 -4.761 -4.816 -7.451 1.00 0.00 O ATOM 0 H SER A 64 -3.712 -2.533 -7.540 1.00 0.00 H new ATOM 0 HA SER A 64 -5.164 -2.872 -10.146 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.582 -5.170 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.863 -4.832 -9.313 1.00 0.00 H new ATOM 0 HG SER A 64 -4.012 -4.325 -7.054 1.00 0.00 H new ATOM 786 N MET A 65 -6.367 -2.119 -7.246 1.00 0.00 N ATOM 787 CA MET A 65 -7.617 -1.733 -6.535 1.00 0.00 C ATOM 788 C MET A 65 -8.166 -0.431 -7.138 1.00 0.00 C ATOM 789 O MET A 65 -7.402 0.420 -7.552 1.00 0.00 O ATOM 790 CB MET A 65 -7.300 -1.507 -5.053 1.00 0.00 C ATOM 791 CG MET A 65 -6.987 -2.849 -4.363 1.00 0.00 C ATOM 792 SD MET A 65 -5.762 -2.589 -3.053 1.00 0.00 S ATOM 793 CE MET A 65 -6.612 -1.230 -2.218 1.00 0.00 C ATOM 0 H MET A 65 -5.503 -1.874 -6.763 1.00 0.00 H new ATOM 0 HA MET A 65 -8.359 -2.525 -6.640 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.449 -0.833 -4.955 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.146 -1.026 -4.562 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.898 -3.275 -3.943 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.608 -3.565 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.330 -1.217 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.329 -0.285 -2.681 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.690 -1.368 -2.303 1.00 0.00 H new ATOM 803 N PRO A 66 -9.467 -0.248 -7.179 1.00 0.00 N ATOM 804 CA PRO A 66 -10.059 1.000 -7.728 1.00 0.00 C ATOM 805 C PRO A 66 -9.345 2.249 -7.183 1.00 0.00 C ATOM 806 O PRO A 66 -8.537 2.168 -6.277 1.00 0.00 O ATOM 807 CB PRO A 66 -11.529 0.972 -7.269 1.00 0.00 C ATOM 808 CG PRO A 66 -11.834 -0.456 -6.899 1.00 0.00 C ATOM 809 CD PRO A 66 -10.494 -1.197 -6.720 1.00 0.00 C ATOM 0 HA PRO A 66 -9.961 1.049 -8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.682 1.635 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.190 1.317 -8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.417 -0.495 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.432 -0.932 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.335 -1.477 -5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.471 -2.117 -7.305 1.00 0.00 H new ATOM 817 N THR A 67 -9.639 3.395 -7.732 1.00 0.00 N ATOM 818 CA THR A 67 -8.989 4.651 -7.260 1.00 0.00 C ATOM 819 C THR A 67 -9.519 5.049 -5.875 1.00 0.00 C ATOM 820 O THR A 67 -8.806 5.614 -5.070 1.00 0.00 O ATOM 821 CB THR A 67 -9.297 5.771 -8.252 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.703 5.961 -8.328 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.757 5.400 -9.632 1.00 0.00 C ATOM 0 H THR A 67 -10.307 3.517 -8.493 1.00 0.00 H new ATOM 0 HA THR A 67 -7.914 4.487 -7.190 1.00 0.00 H new ATOM 0 HB THR A 67 -8.822 6.692 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.902 6.681 -8.963 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.979 6.201 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.678 5.256 -9.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.228 4.478 -9.971 1.00 0.00 H new ATOM 831 N LYS A 68 -10.770 4.789 -5.600 1.00 0.00 N ATOM 832 CA LYS A 68 -11.341 5.191 -4.278 1.00 0.00 C ATOM 833 C LYS A 68 -10.568 4.524 -3.129 1.00 0.00 C ATOM 834 O LYS A 68 -10.162 5.183 -2.194 1.00 0.00 O ATOM 835 CB LYS A 68 -12.820 4.776 -4.207 1.00 0.00 C ATOM 836 CG LYS A 68 -13.692 5.692 -5.089 1.00 0.00 C ATOM 837 CD LYS A 68 -13.570 5.287 -6.565 1.00 0.00 C ATOM 838 CE LYS A 68 -14.630 6.022 -7.395 1.00 0.00 C ATOM 839 NZ LYS A 68 -14.251 7.456 -7.536 1.00 0.00 N ATOM 0 H LYS A 68 -11.420 4.318 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.255 6.273 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.927 3.741 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.166 4.823 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.733 5.628 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.383 6.730 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.574 5.527 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.697 4.209 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.720 5.561 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.605 5.939 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.971 7.952 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.187 7.892 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.330 7.526 -8.013 1.00 0.00 H new ATOM 853 N GLU A 69 -10.355 3.234 -3.179 1.00 0.00 N ATOM 854 CA GLU A 69 -9.601 2.567 -2.069 1.00 0.00 C ATOM 855 C GLU A 69 -8.150 3.062 -2.040 1.00 0.00 C ATOM 856 O GLU A 69 -7.578 3.271 -0.988 1.00 0.00 O ATOM 857 CB GLU A 69 -9.596 1.046 -2.272 1.00 0.00 C ATOM 858 CG GLU A 69 -10.971 0.452 -1.951 1.00 0.00 C ATOM 859 CD GLU A 69 -11.968 0.829 -3.045 1.00 0.00 C ATOM 860 OE1 GLU A 69 -11.545 0.976 -4.175 1.00 0.00 O ATOM 861 OE2 GLU A 69 -13.142 0.947 -2.735 1.00 0.00 O ATOM 0 H GLU A 69 -10.665 2.618 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.093 2.813 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.325 0.813 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.840 0.591 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.899 -0.633 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.320 0.820 -0.986 1.00 0.00 H new ATOM 868 N ARG A 70 -7.546 3.232 -3.183 1.00 0.00 N ATOM 869 CA ARG A 70 -6.128 3.695 -3.216 1.00 0.00 C ATOM 870 C ARG A 70 -6.008 5.059 -2.534 1.00 0.00 C ATOM 871 O ARG A 70 -5.131 5.284 -1.730 1.00 0.00 O ATOM 872 CB ARG A 70 -5.669 3.799 -4.677 1.00 0.00 C ATOM 873 CG ARG A 70 -4.212 4.271 -4.744 1.00 0.00 C ATOM 874 CD ARG A 70 -3.768 4.371 -6.207 1.00 0.00 C ATOM 875 NE ARG A 70 -2.353 4.838 -6.264 1.00 0.00 N ATOM 876 CZ ARG A 70 -1.672 4.729 -7.372 1.00 0.00 C ATOM 877 NH1 ARG A 70 -2.243 4.244 -8.444 1.00 0.00 N ATOM 878 NH2 ARG A 70 -0.425 5.113 -7.412 1.00 0.00 N ATOM 0 H ARG A 70 -7.972 3.071 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.498 2.982 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.767 2.830 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.309 4.496 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.111 5.241 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.569 3.575 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.862 3.401 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.413 5.063 -6.748 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.917 5.243 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.220 3.951 -8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.712 4.158 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.017 5.498 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.107 5.028 -8.278 1.00 0.00 H new ATOM 892 N GLU A 71 -6.880 5.973 -2.844 1.00 0.00 N ATOM 893 CA GLU A 71 -6.799 7.318 -2.210 1.00 0.00 C ATOM 894 C GLU A 71 -6.935 7.183 -0.684 1.00 0.00 C ATOM 895 O GLU A 71 -6.319 7.911 0.071 1.00 0.00 O ATOM 896 CB GLU A 71 -7.917 8.207 -2.756 1.00 0.00 C ATOM 897 CG GLU A 71 -7.622 8.544 -4.222 1.00 0.00 C ATOM 898 CD GLU A 71 -8.736 9.434 -4.779 1.00 0.00 C ATOM 899 OE1 GLU A 71 -9.735 9.593 -4.098 1.00 0.00 O ATOM 900 OE2 GLU A 71 -8.570 9.938 -5.877 1.00 0.00 O ATOM 0 H GLU A 71 -7.645 5.849 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.834 7.770 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.877 7.697 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.991 9.122 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.662 9.053 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.547 7.628 -4.808 1.00 0.00 H new ATOM 907 N GLN A 72 -7.752 6.273 -0.227 1.00 0.00 N ATOM 908 CA GLN A 72 -7.954 6.103 1.246 1.00 0.00 C ATOM 909 C GLN A 72 -6.657 5.640 1.931 1.00 0.00 C ATOM 910 O GLN A 72 -6.346 6.065 3.026 1.00 0.00 O ATOM 911 CB GLN A 72 -9.045 5.056 1.493 1.00 0.00 C ATOM 912 CG GLN A 72 -10.402 5.598 1.037 1.00 0.00 C ATOM 913 CD GLN A 72 -10.835 6.743 1.952 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.704 6.658 3.158 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.351 7.819 1.429 1.00 0.00 N ATOM 0 H GLN A 72 -8.292 5.635 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.248 7.066 1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.810 4.139 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.083 4.801 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.337 5.948 0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.147 4.803 1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.462 7.892 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.644 8.588 2.031 1.00 0.00 H new ATOM 924 N VAL A 73 -5.914 4.754 1.320 1.00 0.00 N ATOM 925 CA VAL A 73 -4.659 4.258 1.970 1.00 0.00 C ATOM 926 C VAL A 73 -3.611 5.375 2.025 1.00 0.00 C ATOM 927 O VAL A 73 -3.067 5.671 3.072 1.00 0.00 O ATOM 928 CB VAL A 73 -4.109 3.085 1.158 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.744 2.661 1.711 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.084 1.909 1.242 1.00 0.00 C ATOM 0 H VAL A 73 -6.118 4.353 0.405 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.884 3.937 2.987 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.992 3.390 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.359 1.825 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.049 3.499 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.852 2.357 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.694 1.071 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.202 1.608 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.051 2.209 0.839 1.00 0.00 H new ATOM 940 N ILE A 74 -3.331 6.009 0.918 1.00 0.00 N ATOM 941 CA ILE A 74 -2.328 7.115 0.931 1.00 0.00 C ATOM 942 C ILE A 74 -2.816 8.209 1.893 1.00 0.00 C ATOM 943 O ILE A 74 -2.041 8.812 2.609 1.00 0.00 O ATOM 944 CB ILE A 74 -2.140 7.679 -0.495 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.219 6.745 -1.303 1.00 0.00 C ATOM 946 CG2 ILE A 74 -1.505 9.082 -0.438 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.778 5.321 -1.319 1.00 0.00 C ATOM 0 H ILE A 74 -3.750 5.811 0.009 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.362 6.741 1.271 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.117 7.746 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.122 7.115 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.220 6.745 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.379 9.466 -1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.154 9.752 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.533 9.022 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.114 4.676 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.852 4.947 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.767 5.324 -1.776 1.00 0.00 H new ATOM 959 N ALA A 75 -4.098 8.468 1.909 1.00 0.00 N ATOM 960 CA ALA A 75 -4.641 9.521 2.818 1.00 0.00 C ATOM 961 C ALA A 75 -4.329 9.166 4.272 1.00 0.00 C ATOM 962 O ALA A 75 -3.968 10.017 5.064 1.00 0.00 O ATOM 963 CB ALA A 75 -6.161 9.606 2.644 1.00 0.00 C ATOM 0 H ALA A 75 -4.793 7.995 1.331 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.181 10.477 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.561 10.374 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.395 9.861 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.610 8.644 2.891 1.00 0.00 H new ATOM 969 N HIS A 76 -4.469 7.923 4.640 1.00 0.00 N ATOM 970 CA HIS A 76 -4.185 7.538 6.049 1.00 0.00 C ATOM 971 C HIS A 76 -2.700 7.748 6.337 1.00 0.00 C ATOM 972 O HIS A 76 -2.318 8.201 7.395 1.00 0.00 O ATOM 973 CB HIS A 76 -4.548 6.069 6.279 1.00 0.00 C ATOM 974 CG HIS A 76 -4.635 5.807 7.758 1.00 0.00 C ATOM 975 ND1 HIS A 76 -3.703 5.893 8.761 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -5.819 5.432 8.373 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -4.296 5.579 9.981 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -5.571 5.308 9.691 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.766 7.162 4.030 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.783 8.157 6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.499 5.838 5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.797 5.421 5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.768 5.269 7.884 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.826 5.559 10.953 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.271 5.040 10.383 1.00 0.00 H new ATOM 986 N LEU A 77 -1.851 7.423 5.411 1.00 0.00 N ATOM 987 CA LEU A 77 -0.404 7.626 5.659 1.00 0.00 C ATOM 988 C LEU A 77 -0.151 9.122 5.855 1.00 0.00 C ATOM 989 O LEU A 77 0.615 9.525 6.706 1.00 0.00 O ATOM 990 CB LEU A 77 0.409 7.088 4.477 1.00 0.00 C ATOM 991 CG LEU A 77 0.141 5.584 4.304 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.902 5.070 3.078 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.602 4.814 5.558 1.00 0.00 C ATOM 0 H LEU A 77 -2.092 7.029 4.502 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.095 7.086 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.140 7.622 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.472 7.261 4.646 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.929 5.426 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.713 4.004 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.565 5.604 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.970 5.236 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.407 3.750 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.670 4.971 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.055 5.176 6.429 1.00 0.00 H new