USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 687 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 46 ASN : amide:sc= -3.06! C(o=-9.2!,f=-9!) USER MOD Set 2.2: A 47 ASN : amide:sc= -6.16! C(o=-9.2!,f=-13!) USER MOD Set 3.1: A 40 MET CE :methyl -118:sc= -2.8 (180deg=-7.82!) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -7:sc= 0.621 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 21:sc= 0.393 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 32 HIS :FLIP no HE2:sc= 0.424 F(o=-2.5!,f=0.42) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 43 TYR OH : rot -97:sc= 0.28 USER MOD Single : A 52 SER OG : rot 43:sc= 0.329 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= 0.145 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.768 K(o=-0.77,f=-3.5!) USER MOD Single : A 60 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.9!) USER MOD Single : A 62 MET CE :methyl -120:sc= -0.665 (180deg=-4.39!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc=-0.00416 (180deg=-0.117) USER MOD Single : A 71 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.4) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 83 SER OG : rot -172:sc= 0.555 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.041 (180deg=-0.321) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -76:sc= 0.555 USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.352 USER MOD Single : A 92 SER OG : rot 39:sc= 0.3 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.508 32.270 3.127 1.00 0.00 N ATOM 2 CA GLY A 1 -2.073 32.090 3.014 1.00 0.00 C ATOM 3 C GLY A 1 -1.503 31.252 4.142 1.00 0.00 C ATOM 4 O GLY A 1 -0.996 31.787 5.127 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.849 32.849 2.333 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.977 31.342 3.105 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.728 32.748 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.844 31.614 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.587 33.066 3.009 1.00 0.00 H new ATOM 8 N SER A 2 -1.588 29.933 3.998 1.00 0.00 N ATOM 9 CA SER A 2 -1.082 29.019 5.016 1.00 0.00 C ATOM 10 C SER A 2 0.382 28.677 4.759 1.00 0.00 C ATOM 11 O SER A 2 0.738 28.186 3.687 1.00 0.00 O ATOM 12 CB SER A 2 -1.919 27.739 5.043 1.00 0.00 C ATOM 13 OG SER A 2 -1.538 26.858 4.001 1.00 0.00 O ATOM 0 H SER A 2 -2.002 29.474 3.187 1.00 0.00 H new ATOM 0 HA SER A 2 -1.157 29.514 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.798 27.242 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.975 27.989 4.944 1.00 0.00 H new ATOM 0 HG SER A 2 -0.895 27.306 3.413 1.00 0.00 H new ATOM 19 N SER A 3 1.228 28.941 5.750 1.00 0.00 N ATOM 20 CA SER A 3 2.655 28.666 5.631 1.00 0.00 C ATOM 21 C SER A 3 3.140 27.804 6.793 1.00 0.00 C ATOM 22 O SER A 3 2.727 27.993 7.936 1.00 0.00 O ATOM 23 CB SER A 3 3.446 29.974 5.586 1.00 0.00 C ATOM 24 OG SER A 3 3.549 30.463 4.260 1.00 0.00 O ATOM 0 H SER A 3 0.950 29.345 6.644 1.00 0.00 H new ATOM 0 HA SER A 3 2.819 28.119 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.959 30.719 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.443 29.814 5.996 1.00 0.00 H new ATOM 0 HG SER A 3 4.058 31.301 4.259 1.00 0.00 H new ATOM 30 N GLY A 4 4.022 26.856 6.490 1.00 0.00 N ATOM 31 CA GLY A 4 4.550 25.978 7.519 1.00 0.00 C ATOM 32 C GLY A 4 3.873 24.622 7.526 1.00 0.00 C ATOM 33 O GLY A 4 3.571 24.078 8.588 1.00 0.00 O ATOM 0 H GLY A 4 4.380 26.680 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.621 25.845 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.424 26.449 8.494 1.00 0.00 H new ATOM 37 N SER A 5 3.635 24.074 6.339 1.00 0.00 N ATOM 38 CA SER A 5 2.985 22.775 6.213 1.00 0.00 C ATOM 39 C SER A 5 4.015 21.671 5.998 1.00 0.00 C ATOM 40 O SER A 5 4.593 21.547 4.919 1.00 0.00 O ATOM 41 CB SER A 5 1.988 22.790 5.053 1.00 0.00 C ATOM 42 OG SER A 5 1.086 21.700 5.140 1.00 0.00 O ATOM 0 H SER A 5 3.883 24.509 5.451 1.00 0.00 H new ATOM 0 HA SER A 5 2.449 22.573 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.432 23.727 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.526 22.746 4.106 1.00 0.00 H new ATOM 0 HG SER A 5 0.459 21.734 4.388 1.00 0.00 H new ATOM 48 N SER A 6 4.240 20.870 7.036 1.00 0.00 N ATOM 49 CA SER A 6 5.203 19.778 6.963 1.00 0.00 C ATOM 50 C SER A 6 4.693 18.663 6.056 1.00 0.00 C ATOM 51 O SER A 6 5.307 18.346 5.038 1.00 0.00 O ATOM 52 CB SER A 6 5.484 19.224 8.362 1.00 0.00 C ATOM 53 OG SER A 6 6.509 18.246 8.327 1.00 0.00 O ATOM 0 H SER A 6 3.768 20.957 7.936 1.00 0.00 H new ATOM 0 HA SER A 6 6.129 20.170 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.776 20.037 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.574 18.787 8.773 1.00 0.00 H new ATOM 0 HG SER A 6 6.671 17.909 9.233 1.00 0.00 H new ATOM 59 N GLY A 7 3.564 18.071 6.433 1.00 0.00 N ATOM 60 CA GLY A 7 2.989 16.997 5.644 1.00 0.00 C ATOM 61 C GLY A 7 1.993 16.168 6.430 1.00 0.00 C ATOM 62 O GLY A 7 2.353 15.526 7.416 1.00 0.00 O ATOM 0 H GLY A 7 3.037 18.316 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.495 17.418 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.787 16.351 5.280 1.00 0.00 H new ATOM 66 N GLN A 8 0.738 16.183 5.994 1.00 0.00 N ATOM 67 CA GLN A 8 -0.313 15.429 6.666 1.00 0.00 C ATOM 68 C GLN A 8 -0.875 14.345 5.752 1.00 0.00 C ATOM 69 O GLN A 8 -1.086 14.571 4.560 1.00 0.00 O ATOM 70 CB GLN A 8 -1.436 16.366 7.115 1.00 0.00 C ATOM 71 CG GLN A 8 -1.126 17.111 8.403 1.00 0.00 C ATOM 72 CD GLN A 8 -2.139 18.198 8.706 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.311 17.917 8.962 1.00 0.00 O ATOM 74 NE2 GLN A 8 -1.693 19.448 8.680 1.00 0.00 N ATOM 0 H GLN A 8 0.424 16.709 5.178 1.00 0.00 H new ATOM 0 HA GLN A 8 0.123 14.950 7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.632 17.090 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.349 15.787 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.100 16.403 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.133 17.555 8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.714 19.636 8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.329 20.221 8.877 1.00 0.00 H new ATOM 83 N LYS A 9 -1.115 13.167 6.317 1.00 0.00 N ATOM 84 CA LYS A 9 -1.654 12.047 5.554 1.00 0.00 C ATOM 85 C LYS A 9 -3.090 12.323 5.123 1.00 0.00 C ATOM 86 O LYS A 9 -4.039 11.884 5.772 1.00 0.00 O ATOM 87 CB LYS A 9 -1.597 10.763 6.385 1.00 0.00 C ATOM 88 CG LYS A 9 -2.038 10.951 7.826 1.00 0.00 C ATOM 89 CD LYS A 9 -2.219 9.618 8.533 1.00 0.00 C ATOM 90 CE LYS A 9 -2.983 9.778 9.838 1.00 0.00 C ATOM 91 NZ LYS A 9 -3.106 8.487 10.570 1.00 0.00 N ATOM 0 H LYS A 9 -0.945 12.963 7.302 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.043 11.921 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.229 10.008 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.578 10.378 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.298 11.549 8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.975 11.507 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.753 8.928 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.243 9.176 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.475 10.507 10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.977 10.174 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.633 8.638 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.613 7.799 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.158 8.121 10.790 1.00 0.00 H new ATOM 105 N GLY A 10 -3.243 13.053 4.022 1.00 0.00 N ATOM 106 CA GLY A 10 -4.568 13.373 3.522 1.00 0.00 C ATOM 107 C GLY A 10 -4.863 12.708 2.193 1.00 0.00 C ATOM 108 O GLY A 10 -4.846 13.359 1.148 1.00 0.00 O ATOM 0 H GLY A 10 -2.474 13.428 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.314 13.062 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.660 14.454 3.412 1.00 0.00 H new ATOM 112 N TRP A 11 -5.131 11.408 2.231 1.00 0.00 N ATOM 113 CA TRP A 11 -5.429 10.653 1.018 1.00 0.00 C ATOM 114 C TRP A 11 -6.692 11.181 0.346 1.00 0.00 C ATOM 115 O TRP A 11 -7.670 11.515 1.014 1.00 0.00 O ATOM 116 CB TRP A 11 -5.593 9.168 1.345 1.00 0.00 C ATOM 117 CG TRP A 11 -5.883 8.324 0.141 1.00 0.00 C ATOM 118 CD1 TRP A 11 -7.044 8.294 -0.579 1.00 0.00 C ATOM 119 CD2 TRP A 11 -4.998 7.387 -0.483 1.00 0.00 C ATOM 120 NE1 TRP A 11 -6.934 7.394 -1.611 1.00 0.00 N ATOM 121 CE2 TRP A 11 -5.688 6.825 -1.575 1.00 0.00 C ATOM 122 CE3 TRP A 11 -3.690 6.969 -0.226 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -5.112 5.869 -2.406 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -3.119 6.019 -1.052 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.830 5.478 -2.132 1.00 0.00 C ATOM 0 H TRP A 11 -5.148 10.854 3.088 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.594 10.776 0.328 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.683 8.806 1.823 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.401 9.049 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.919 8.890 -0.368 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.662 7.183 -2.294 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.135 7.381 0.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.658 5.450 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.109 5.688 -0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.356 4.738 -2.760 1.00 0.00 H new ATOM 136 N PHE A 12 -6.664 11.253 -0.981 1.00 0.00 N ATOM 137 CA PHE A 12 -7.807 11.741 -1.744 1.00 0.00 C ATOM 138 C PHE A 12 -8.292 10.685 -2.733 1.00 0.00 C ATOM 139 O PHE A 12 -7.552 10.226 -3.602 1.00 0.00 O ATOM 140 CB PHE A 12 -7.438 13.024 -2.492 1.00 0.00 C ATOM 141 CG PHE A 12 -6.758 12.776 -3.808 1.00 0.00 C ATOM 142 CD1 PHE A 12 -5.458 12.299 -3.852 1.00 0.00 C ATOM 143 CD2 PHE A 12 -7.419 13.021 -5.001 1.00 0.00 C ATOM 144 CE1 PHE A 12 -4.830 12.071 -5.061 1.00 0.00 C ATOM 145 CE2 PHE A 12 -6.795 12.794 -6.214 1.00 0.00 C ATOM 146 CZ PHE A 12 -5.500 12.318 -6.244 1.00 0.00 C ATOM 0 H PHE A 12 -5.863 10.980 -1.550 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.614 11.956 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.342 13.608 -2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.784 13.627 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.930 12.103 -2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.433 13.393 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.816 11.700 -5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.321 12.989 -7.137 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.011 12.139 -7.190 1.00 0.00 H new ATOM 156 N PRO A 13 -9.566 10.289 -2.597 1.00 0.00 N ATOM 157 CA PRO A 13 -10.180 9.282 -3.468 1.00 0.00 C ATOM 158 C PRO A 13 -10.388 9.795 -4.889 1.00 0.00 C ATOM 159 O PRO A 13 -10.018 10.923 -5.212 1.00 0.00 O ATOM 160 CB PRO A 13 -11.527 9.005 -2.797 1.00 0.00 C ATOM 161 CG PRO A 13 -11.833 10.248 -2.034 1.00 0.00 C ATOM 162 CD PRO A 13 -10.507 10.793 -1.582 1.00 0.00 C ATOM 0 HA PRO A 13 -9.552 8.397 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.301 8.793 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.470 8.139 -2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.359 10.970 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.478 10.034 -1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.512 11.882 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.247 10.441 -0.584 1.00 0.00 H new ATOM 170 N ALA A 14 -10.984 8.959 -5.734 1.00 0.00 N ATOM 171 CA ALA A 14 -11.243 9.330 -7.119 1.00 0.00 C ATOM 172 C ALA A 14 -12.729 9.585 -7.350 1.00 0.00 C ATOM 173 O ALA A 14 -13.276 9.223 -8.392 1.00 0.00 O ATOM 174 CB ALA A 14 -10.740 8.244 -8.059 1.00 0.00 C ATOM 0 H ALA A 14 -11.296 8.021 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.705 10.255 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.940 8.534 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.667 8.112 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.252 7.307 -7.840 1.00 0.00 H new ATOM 180 N SER A 15 -13.376 10.209 -6.371 1.00 0.00 N ATOM 181 CA SER A 15 -14.800 10.509 -6.467 1.00 0.00 C ATOM 182 C SER A 15 -15.035 12.015 -6.539 1.00 0.00 C ATOM 183 O SER A 15 -14.467 12.782 -5.761 1.00 0.00 O ATOM 184 CB SER A 15 -15.548 9.922 -5.267 1.00 0.00 C ATOM 185 OG SER A 15 -15.610 8.509 -5.347 1.00 0.00 O ATOM 0 H SER A 15 -12.937 10.516 -5.503 1.00 0.00 H new ATOM 0 HA SER A 15 -15.181 10.055 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.048 10.216 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.557 10.332 -5.227 1.00 0.00 H new ATOM 0 HG SER A 15 -16.091 8.158 -4.569 1.00 0.00 H new ATOM 191 N HIS A 16 -15.877 12.431 -7.480 1.00 0.00 N ATOM 192 CA HIS A 16 -16.189 13.845 -7.655 1.00 0.00 C ATOM 193 C HIS A 16 -17.361 14.257 -6.771 1.00 0.00 C ATOM 194 O HIS A 16 -18.468 13.734 -6.906 1.00 0.00 O ATOM 195 CB HIS A 16 -16.512 14.140 -9.120 1.00 0.00 C ATOM 196 CG HIS A 16 -16.734 15.594 -9.404 1.00 0.00 C ATOM 197 ND1 HIS A 16 -15.800 16.567 -9.121 1.00 0.00 N ATOM 198 CD2 HIS A 16 -17.793 16.237 -9.950 1.00 0.00 C ATOM 199 CE1 HIS A 16 -16.274 17.747 -9.479 1.00 0.00 C ATOM 200 NE2 HIS A 16 -17.482 17.574 -9.985 1.00 0.00 N ATOM 0 H HIS A 16 -16.355 11.810 -8.132 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.314 14.424 -7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.695 13.777 -9.744 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -17.404 13.582 -9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -18.711 15.783 -10.294 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.761 18.692 -9.376 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -18.086 18.314 -10.344 1.00 0.00 H new ATOM 209 N VAL A 17 -17.111 15.196 -5.864 1.00 0.00 N ATOM 210 CA VAL A 17 -18.146 15.678 -4.957 1.00 0.00 C ATOM 211 C VAL A 17 -18.314 17.190 -5.068 1.00 0.00 C ATOM 212 O VAL A 17 -17.342 17.922 -5.253 1.00 0.00 O ATOM 213 CB VAL A 17 -17.825 15.315 -3.495 1.00 0.00 C ATOM 214 CG1 VAL A 17 -17.742 13.805 -3.326 1.00 0.00 C ATOM 215 CG2 VAL A 17 -16.532 15.981 -3.052 1.00 0.00 C ATOM 0 H VAL A 17 -16.201 15.638 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 17 -19.075 15.189 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 17 -18.632 15.684 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.514 13.567 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -18.696 13.355 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.956 13.410 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.321 15.713 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -15.713 15.645 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.634 17.063 -3.133 1.00 0.00 H new ATOM 225 N LYS A 18 -19.555 17.651 -4.954 1.00 0.00 N ATOM 226 CA LYS A 18 -19.852 19.076 -5.039 1.00 0.00 C ATOM 227 C LYS A 18 -20.590 19.554 -3.793 1.00 0.00 C ATOM 228 O LYS A 18 -21.224 20.610 -3.801 1.00 0.00 O ATOM 229 CB LYS A 18 -20.691 19.369 -6.285 1.00 0.00 C ATOM 230 CG LYS A 18 -21.918 18.484 -6.414 1.00 0.00 C ATOM 231 CD LYS A 18 -23.125 19.100 -5.727 1.00 0.00 C ATOM 232 CE LYS A 18 -23.682 20.271 -6.523 1.00 0.00 C ATOM 233 NZ LYS A 18 -24.597 21.113 -5.704 1.00 0.00 N ATOM 0 H LYS A 18 -20.371 17.058 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.907 19.615 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -21.006 20.412 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -20.068 19.243 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -22.142 18.322 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -21.710 17.507 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -23.899 18.343 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -22.844 19.438 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -22.859 20.883 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -24.217 19.895 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -24.955 21.900 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.396 20.536 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.080 21.492 -4.885 1.00 0.00 H new ATOM 247 N LEU A 19 -20.502 18.771 -2.723 1.00 0.00 N ATOM 248 CA LEU A 19 -21.161 19.115 -1.467 1.00 0.00 C ATOM 249 C LEU A 19 -20.191 19.811 -0.517 1.00 0.00 C ATOM 250 O LEU A 19 -19.007 19.475 -0.465 1.00 0.00 O ATOM 251 CB LEU A 19 -21.729 17.859 -0.806 1.00 0.00 C ATOM 252 CG LEU A 19 -22.762 17.080 -1.620 1.00 0.00 C ATOM 253 CD1 LEU A 19 -23.003 15.709 -1.006 1.00 0.00 C ATOM 254 CD2 LEU A 19 -24.065 17.860 -1.715 1.00 0.00 C ATOM 0 H LEU A 19 -19.981 17.894 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.978 19.801 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.901 17.190 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -22.184 18.146 0.142 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.371 16.940 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -23.741 15.169 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -22.069 15.148 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -23.372 15.826 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -24.789 17.290 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -24.460 18.032 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -23.881 18.818 -2.201 1.00 0.00 H new ATOM 266 N LEU A 20 -20.701 20.779 0.236 1.00 0.00 N ATOM 267 CA LEU A 20 -19.881 21.521 1.187 1.00 0.00 C ATOM 268 C LEU A 20 -19.760 20.765 2.507 1.00 0.00 C ATOM 269 O LEU A 20 -20.529 19.845 2.779 1.00 0.00 O ATOM 270 CB LEU A 20 -20.479 22.907 1.434 1.00 0.00 C ATOM 271 CG LEU A 20 -20.521 23.844 0.226 1.00 0.00 C ATOM 272 CD1 LEU A 20 -21.598 24.903 0.409 1.00 0.00 C ATOM 273 CD2 LEU A 20 -19.163 24.495 0.008 1.00 0.00 C ATOM 0 H LEU A 20 -21.679 21.069 0.207 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.884 21.633 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -21.496 22.781 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.907 23.392 2.225 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.765 23.255 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -21.613 25.561 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -22.569 24.420 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -21.384 25.489 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -19.212 25.158 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.889 25.070 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.414 23.723 -0.169 1.00 0.00 H new ATOM 285 N GLY A 21 -18.789 21.162 3.324 1.00 0.00 N ATOM 286 CA GLY A 21 -18.586 20.513 4.606 1.00 0.00 C ATOM 287 C GLY A 21 -17.138 20.130 4.839 1.00 0.00 C ATOM 288 O GLY A 21 -16.673 19.080 4.397 1.00 0.00 O ATOM 0 H GLY A 21 -18.139 21.922 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.915 21.179 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -19.208 19.620 4.660 1.00 0.00 H new ATOM 292 N PRO A 22 -16.400 20.997 5.548 1.00 0.00 N ATOM 293 CA PRO A 22 -14.985 20.767 5.854 1.00 0.00 C ATOM 294 C PRO A 22 -14.785 19.630 6.851 1.00 0.00 C ATOM 295 O PRO A 22 -15.369 19.633 7.935 1.00 0.00 O ATOM 296 CB PRO A 22 -14.531 22.097 6.461 1.00 0.00 C ATOM 297 CG PRO A 22 -15.774 22.703 7.016 1.00 0.00 C ATOM 298 CD PRO A 22 -16.889 22.270 6.105 1.00 0.00 C ATOM 0 HA PRO A 22 -14.420 20.472 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.784 21.943 7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.078 22.742 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.951 22.365 8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.697 23.790 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.824 22.138 6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -17.077 23.005 5.322 1.00 0.00 H new ATOM 306 N SER A 23 -13.957 18.660 6.478 1.00 0.00 N ATOM 307 CA SER A 23 -13.683 17.516 7.339 1.00 0.00 C ATOM 308 C SER A 23 -14.972 16.974 7.949 1.00 0.00 C ATOM 309 O SER A 23 -15.009 16.602 9.122 1.00 0.00 O ATOM 310 CB SER A 23 -12.706 17.908 8.450 1.00 0.00 C ATOM 311 OG SER A 23 -13.190 19.018 9.186 1.00 0.00 O ATOM 0 H SER A 23 -13.464 18.643 5.585 1.00 0.00 H new ATOM 0 HA SER A 23 -13.233 16.733 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.554 17.062 9.120 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.736 18.150 8.017 1.00 0.00 H new ATOM 0 HG SER A 23 -14.158 19.098 9.059 1.00 0.00 H new ATOM 317 N SER A 24 -16.029 16.933 7.144 1.00 0.00 N ATOM 318 CA SER A 24 -17.322 16.441 7.603 1.00 0.00 C ATOM 319 C SER A 24 -17.180 15.069 8.255 1.00 0.00 C ATOM 320 O SER A 24 -17.715 14.827 9.337 1.00 0.00 O ATOM 321 CB SER A 24 -18.307 16.364 6.435 1.00 0.00 C ATOM 322 OG SER A 24 -19.529 15.769 6.836 1.00 0.00 O ATOM 0 H SER A 24 -16.015 17.235 6.170 1.00 0.00 H new ATOM 0 HA SER A 24 -17.706 17.140 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.496 17.365 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.867 15.786 5.622 1.00 0.00 H new ATOM 0 HG SER A 24 -20.142 15.733 6.072 1.00 0.00 H new ATOM 328 N GLU A 25 -16.456 14.176 7.589 1.00 0.00 N ATOM 329 CA GLU A 25 -16.245 12.828 8.103 1.00 0.00 C ATOM 330 C GLU A 25 -15.504 12.864 9.436 1.00 0.00 C ATOM 331 O GLU A 25 -14.766 13.807 9.723 1.00 0.00 O ATOM 332 CB GLU A 25 -15.458 11.990 7.092 1.00 0.00 C ATOM 333 CG GLU A 25 -15.749 10.501 7.178 1.00 0.00 C ATOM 334 CD GLU A 25 -15.536 9.789 5.857 1.00 0.00 C ATOM 335 OE1 GLU A 25 -16.402 9.918 4.967 1.00 0.00 O ATOM 336 OE2 GLU A 25 -14.503 9.101 5.713 1.00 0.00 O ATOM 0 H GLU A 25 -16.006 14.361 6.693 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.221 12.370 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.689 12.339 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.392 12.153 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.107 10.052 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.779 10.354 7.504 1.00 0.00 H new ATOM 343 N ARG A 26 -15.707 11.831 10.248 1.00 0.00 N ATOM 344 CA ARG A 26 -15.061 11.745 11.552 1.00 0.00 C ATOM 345 C ARG A 26 -14.233 10.468 11.665 1.00 0.00 C ATOM 346 O ARG A 26 -14.583 9.437 11.091 1.00 0.00 O ATOM 347 CB ARG A 26 -16.107 11.788 12.667 1.00 0.00 C ATOM 348 CG ARG A 26 -17.218 10.764 12.500 1.00 0.00 C ATOM 349 CD ARG A 26 -18.362 11.315 11.662 1.00 0.00 C ATOM 350 NE ARG A 26 -19.191 12.251 12.417 1.00 0.00 N ATOM 351 CZ ARG A 26 -20.164 11.873 13.239 1.00 0.00 C ATOM 352 NH1 ARG A 26 -20.427 10.585 13.412 1.00 0.00 N ATOM 353 NH2 ARG A 26 -20.875 12.784 13.890 1.00 0.00 N ATOM 0 H ARG A 26 -16.314 11.042 10.025 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.394 12.601 11.656 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.612 11.622 13.624 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.546 12.785 12.704 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.819 9.866 12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.593 10.469 13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.958 11.816 10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -18.979 10.491 11.304 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.013 13.249 12.307 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.882 9.882 12.913 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -21.174 10.297 14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -20.675 13.776 13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.622 12.493 14.521 1.00 0.00 H new ATOM 367 N ALA A 27 -13.135 10.545 12.409 1.00 0.00 N ATOM 368 CA ALA A 27 -12.258 9.396 12.599 1.00 0.00 C ATOM 369 C ALA A 27 -12.981 8.269 13.329 1.00 0.00 C ATOM 370 O ALA A 27 -13.803 8.514 14.213 1.00 0.00 O ATOM 371 CB ALA A 27 -11.008 9.806 13.363 1.00 0.00 C ATOM 0 H ALA A 27 -12.831 11.391 12.890 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.964 9.028 11.616 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.363 8.938 13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.473 10.572 12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.291 10.202 14.338 1.00 0.00 H new ATOM 377 N THR A 28 -12.672 7.032 12.953 1.00 0.00 N ATOM 378 CA THR A 28 -13.293 5.867 13.571 1.00 0.00 C ATOM 379 C THR A 28 -12.262 5.020 14.307 1.00 0.00 C ATOM 380 O THR A 28 -11.153 4.789 13.824 1.00 0.00 O ATOM 381 CB THR A 28 -14.008 4.991 12.525 1.00 0.00 C ATOM 382 OG1 THR A 28 -14.592 3.849 13.160 1.00 0.00 O ATOM 383 CG2 THR A 28 -13.038 4.536 11.445 1.00 0.00 C ATOM 0 H THR A 28 -11.995 6.811 12.223 1.00 0.00 H new ATOM 0 HA THR A 28 -14.027 6.241 14.284 1.00 0.00 H new ATOM 0 HB THR A 28 -14.792 5.588 12.059 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.046 3.298 12.489 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.566 3.919 10.718 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.617 5.407 10.944 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.235 3.955 11.899 1.00 0.00 H new ATOM 391 N PRO A 29 -12.633 4.544 15.505 1.00 0.00 N ATOM 392 CA PRO A 29 -11.754 3.713 16.334 1.00 0.00 C ATOM 393 C PRO A 29 -11.539 2.325 15.740 1.00 0.00 C ATOM 394 O PRO A 29 -10.801 1.511 16.292 1.00 0.00 O ATOM 395 CB PRO A 29 -12.508 3.615 17.662 1.00 0.00 C ATOM 396 CG PRO A 29 -13.938 3.823 17.303 1.00 0.00 C ATOM 397 CD PRO A 29 -13.939 4.780 16.143 1.00 0.00 C ATOM 0 HA PRO A 29 -10.756 4.141 16.425 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.355 2.644 18.133 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.164 4.370 18.369 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.413 2.880 17.032 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.497 4.231 18.146 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.763 4.580 15.458 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.044 5.813 16.474 1.00 0.00 H new ATOM 405 N ALA A 30 -12.189 2.063 14.610 1.00 0.00 N ATOM 406 CA ALA A 30 -12.066 0.774 13.940 1.00 0.00 C ATOM 407 C ALA A 30 -11.672 0.951 12.478 1.00 0.00 C ATOM 408 O ALA A 30 -12.464 1.429 11.664 1.00 0.00 O ATOM 409 CB ALA A 30 -13.371 -0.002 14.047 1.00 0.00 C ATOM 0 H ALA A 30 -12.806 2.726 14.140 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.277 0.208 14.435 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.266 -0.963 13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.611 -0.168 15.097 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.173 0.568 13.578 1.00 0.00 H new ATOM 415 N PHE A 31 -10.444 0.565 12.150 1.00 0.00 N ATOM 416 CA PHE A 31 -9.944 0.683 10.785 1.00 0.00 C ATOM 417 C PHE A 31 -9.990 -0.665 10.071 1.00 0.00 C ATOM 418 O PHE A 31 -9.405 -1.645 10.533 1.00 0.00 O ATOM 419 CB PHE A 31 -8.512 1.222 10.789 1.00 0.00 C ATOM 420 CG PHE A 31 -7.481 0.186 11.136 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.248 -0.163 12.456 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.747 -0.441 10.142 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.300 -1.116 12.778 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.798 -1.395 10.457 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.575 -1.733 11.778 1.00 0.00 C ATOM 0 H PHE A 31 -9.776 0.168 12.811 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.586 1.381 10.248 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.285 1.634 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.444 2.044 11.502 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.813 0.315 13.242 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.919 -0.181 9.108 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.126 -1.378 13.811 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.232 -1.875 9.672 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.835 -2.479 12.028 1.00 0.00 H new ATOM 435 N HIS A 32 -10.689 -0.705 8.941 1.00 0.00 N ATOM 436 CA HIS A 32 -10.812 -1.932 8.162 1.00 0.00 C ATOM 437 C HIS A 32 -10.112 -1.792 6.814 1.00 0.00 C ATOM 438 O HIS A 32 -10.557 -1.061 5.929 1.00 0.00 O ATOM 439 CB HIS A 32 -12.285 -2.282 7.951 1.00 0.00 C ATOM 440 CG HIS A 32 -13.161 -1.084 7.744 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.888 0.132 7.217 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -14.493 -1.056 8.100 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -14.048 0.865 7.262 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -15.002 0.125 7.798 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.178 0.097 8.545 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.332 -2.736 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.373 -2.940 7.087 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.645 -2.840 8.815 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -11.988 0.446 6.854 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -15.035 -1.872 8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.162 1.882 6.915 1.00 0.00 H new ATOM 453 N PRO A 33 -8.989 -2.508 6.652 1.00 0.00 N ATOM 454 CA PRO A 33 -8.204 -2.480 5.414 1.00 0.00 C ATOM 455 C PRO A 33 -8.923 -3.162 4.256 1.00 0.00 C ATOM 456 O PRO A 33 -9.972 -3.780 4.440 1.00 0.00 O ATOM 457 CB PRO A 33 -6.934 -3.250 5.783 1.00 0.00 C ATOM 458 CG PRO A 33 -7.345 -4.149 6.897 1.00 0.00 C ATOM 459 CD PRO A 33 -8.401 -3.401 7.664 1.00 0.00 C ATOM 0 HA PRO A 33 -8.018 -1.462 5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.556 -3.819 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.137 -2.574 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.735 -5.092 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.496 -4.391 7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.146 -4.076 8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.973 -2.840 8.495 1.00 0.00 H new ATOM 467 N VAL A 34 -8.353 -3.047 3.061 1.00 0.00 N ATOM 468 CA VAL A 34 -8.939 -3.654 1.872 1.00 0.00 C ATOM 469 C VAL A 34 -8.289 -4.999 1.565 1.00 0.00 C ATOM 470 O VAL A 34 -8.953 -5.930 1.108 1.00 0.00 O ATOM 471 CB VAL A 34 -8.796 -2.735 0.644 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.368 -2.759 0.122 1.00 0.00 C ATOM 473 CG2 VAL A 34 -9.777 -3.145 -0.444 1.00 0.00 C ATOM 0 H VAL A 34 -7.485 -2.539 2.891 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.998 -3.805 2.082 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.029 -1.714 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.287 -2.104 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.690 -2.414 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.103 -3.776 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.663 -2.486 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.577 -4.173 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.795 -3.071 -0.063 1.00 0.00 H new ATOM 483 N CYS A 35 -6.989 -5.093 1.818 1.00 0.00 N ATOM 484 CA CYS A 35 -6.249 -6.325 1.568 1.00 0.00 C ATOM 485 C CYS A 35 -4.864 -6.266 2.206 1.00 0.00 C ATOM 486 O CYS A 35 -4.475 -5.245 2.773 1.00 0.00 O ATOM 487 CB CYS A 35 -6.120 -6.571 0.064 1.00 0.00 C ATOM 488 SG CYS A 35 -6.019 -8.318 -0.391 1.00 0.00 S ATOM 0 H CYS A 35 -6.425 -4.332 2.196 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.802 -7.150 2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.976 -6.124 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.230 -6.059 -0.302 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.914 -8.425 -1.682 1.00 0.00 H new ATOM 494 N GLN A 36 -4.127 -7.368 2.110 1.00 0.00 N ATOM 495 CA GLN A 36 -2.787 -7.441 2.680 1.00 0.00 C ATOM 496 C GLN A 36 -1.755 -7.762 1.605 1.00 0.00 C ATOM 497 O GLN A 36 -1.907 -8.722 0.849 1.00 0.00 O ATOM 498 CB GLN A 36 -2.737 -8.500 3.784 1.00 0.00 C ATOM 499 CG GLN A 36 -1.445 -8.483 4.585 1.00 0.00 C ATOM 500 CD GLN A 36 -1.442 -9.501 5.708 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.356 -10.317 5.825 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.410 -9.458 6.543 1.00 0.00 N ATOM 0 H GLN A 36 -4.435 -8.221 1.644 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.548 -6.468 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.577 -8.346 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.864 -9.486 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.606 -8.681 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.293 -7.487 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.326 -8.765 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.353 -10.118 7.318 1.00 0.00 H new ATOM 511 N VAL A 37 -0.703 -6.951 1.540 1.00 0.00 N ATOM 512 CA VAL A 37 0.355 -7.148 0.557 1.00 0.00 C ATOM 513 C VAL A 37 1.725 -7.185 1.224 1.00 0.00 C ATOM 514 O VAL A 37 1.863 -6.849 2.401 1.00 0.00 O ATOM 515 CB VAL A 37 0.345 -6.036 -0.509 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.958 -6.060 -1.293 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.564 -4.677 0.137 1.00 0.00 C ATOM 0 H VAL A 37 -0.561 -6.151 2.157 1.00 0.00 H new ATOM 0 HA VAL A 37 0.163 -8.106 0.074 1.00 0.00 H new ATOM 0 HB VAL A 37 1.163 -6.217 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.947 -5.268 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.067 -7.025 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.795 -5.905 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.554 -3.903 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.231 -4.484 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.527 -4.668 0.648 1.00 0.00 H new ATOM 527 N ILE A 38 2.736 -7.594 0.465 1.00 0.00 N ATOM 528 CA ILE A 38 4.096 -7.673 0.983 1.00 0.00 C ATOM 529 C ILE A 38 5.057 -6.847 0.134 1.00 0.00 C ATOM 530 O ILE A 38 4.902 -6.755 -1.084 1.00 0.00 O ATOM 531 CB ILE A 38 4.596 -9.128 1.034 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.680 -9.282 2.103 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.123 -9.556 -0.327 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.137 -9.649 3.466 1.00 0.00 C ATOM 0 H ILE A 38 2.639 -7.876 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 38 4.071 -7.270 1.996 1.00 0.00 H new ATOM 0 HB ILE A 38 3.758 -9.774 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.387 -10.048 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.236 -8.348 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.473 -10.587 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.325 -9.481 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.949 -8.907 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.961 -9.741 4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.452 -8.872 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.605 -10.598 3.402 1.00 0.00 H new ATOM 546 N ALA A 39 6.049 -6.249 0.785 1.00 0.00 N ATOM 547 CA ALA A 39 7.038 -5.434 0.089 1.00 0.00 C ATOM 548 C ALA A 39 7.956 -6.299 -0.768 1.00 0.00 C ATOM 549 O ALA A 39 8.470 -7.318 -0.310 1.00 0.00 O ATOM 550 CB ALA A 39 7.851 -4.625 1.087 1.00 0.00 C ATOM 0 H ALA A 39 6.189 -6.313 1.793 1.00 0.00 H new ATOM 0 HA ALA A 39 6.508 -4.748 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.585 -4.021 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.187 -3.972 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.365 -5.301 1.771 1.00 0.00 H new ATOM 556 N MET A 40 8.158 -5.884 -2.015 1.00 0.00 N ATOM 557 CA MET A 40 9.016 -6.621 -2.935 1.00 0.00 C ATOM 558 C MET A 40 10.465 -6.159 -2.816 1.00 0.00 C ATOM 559 O MET A 40 11.394 -6.940 -3.020 1.00 0.00 O ATOM 560 CB MET A 40 8.528 -6.443 -4.374 1.00 0.00 C ATOM 561 CG MET A 40 7.223 -7.165 -4.668 1.00 0.00 C ATOM 562 SD MET A 40 6.983 -7.478 -6.427 1.00 0.00 S ATOM 563 CE MET A 40 7.045 -5.811 -7.079 1.00 0.00 C ATOM 0 H MET A 40 7.739 -5.042 -2.411 1.00 0.00 H new ATOM 0 HA MET A 40 8.968 -7.677 -2.670 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.399 -5.380 -4.576 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.296 -6.806 -5.057 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.207 -8.112 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.391 -6.570 -4.292 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.092 -5.568 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.239 -5.110 -6.267 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.842 -5.739 -7.819 1.00 0.00 H new ATOM 573 N TYR A 41 10.650 -4.886 -2.486 1.00 0.00 N ATOM 574 CA TYR A 41 11.986 -4.320 -2.343 1.00 0.00 C ATOM 575 C TYR A 41 12.032 -3.317 -1.193 1.00 0.00 C ATOM 576 O TYR A 41 11.118 -2.511 -1.021 1.00 0.00 O ATOM 577 CB TYR A 41 12.417 -3.641 -3.644 1.00 0.00 C ATOM 578 CG TYR A 41 11.825 -4.275 -4.882 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.602 -3.850 -5.388 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.488 -5.299 -5.547 1.00 0.00 C ATOM 581 CE1 TYR A 41 10.057 -4.427 -6.518 1.00 0.00 C ATOM 582 CE2 TYR A 41 11.951 -5.880 -6.680 1.00 0.00 C ATOM 583 CZ TYR A 41 10.736 -5.441 -7.161 1.00 0.00 C ATOM 584 OH TYR A 41 10.197 -6.019 -8.288 1.00 0.00 O ATOM 0 H TYR A 41 9.892 -4.226 -2.312 1.00 0.00 H new ATOM 0 HA TYR A 41 12.676 -5.134 -2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.127 -2.591 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.504 -3.669 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.069 -3.055 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.439 -5.647 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.104 -4.086 -6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.480 -6.674 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 41 10.801 -6.716 -8.619 1.00 0.00 H new ATOM 594 N ASP A 42 13.104 -3.374 -0.411 1.00 0.00 N ATOM 595 CA ASP A 42 13.272 -2.471 0.722 1.00 0.00 C ATOM 596 C ASP A 42 13.006 -1.027 0.310 1.00 0.00 C ATOM 597 O ASP A 42 13.799 -0.419 -0.409 1.00 0.00 O ATOM 598 CB ASP A 42 14.684 -2.598 1.297 1.00 0.00 C ATOM 599 CG ASP A 42 15.746 -2.656 0.216 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.028 -3.766 -0.279 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.296 -1.590 -0.133 1.00 0.00 O ATOM 0 H ASP A 42 13.870 -4.036 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 42 12.549 -2.750 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.884 -1.751 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.744 -3.497 1.910 1.00 0.00 H new ATOM 606 N TYR A 43 11.883 -0.484 0.768 1.00 0.00 N ATOM 607 CA TYR A 43 11.510 0.888 0.444 1.00 0.00 C ATOM 608 C TYR A 43 11.994 1.853 1.522 1.00 0.00 C ATOM 609 O TYR A 43 11.807 1.615 2.714 1.00 0.00 O ATOM 610 CB TYR A 43 9.993 1.001 0.287 1.00 0.00 C ATOM 611 CG TYR A 43 9.557 2.196 -0.532 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.740 3.490 -0.060 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.961 2.031 -1.776 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.343 4.584 -0.804 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.563 3.119 -2.527 1.00 0.00 C ATOM 616 CZ TYR A 43 8.755 4.394 -2.037 1.00 0.00 C ATOM 617 OH TYR A 43 8.358 5.480 -2.782 1.00 0.00 O ATOM 0 H TYR A 43 11.216 -0.973 1.365 1.00 0.00 H new ATOM 0 HA TYR A 43 11.988 1.155 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.616 0.092 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.537 1.062 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.200 3.643 0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.806 1.034 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.492 5.583 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.104 2.973 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 43 7.403 5.644 -2.637 1.00 0.00 H new ATOM 627 N ALA A 44 12.619 2.944 1.091 1.00 0.00 N ATOM 628 CA ALA A 44 13.128 3.948 2.017 1.00 0.00 C ATOM 629 C ALA A 44 12.477 5.305 1.769 1.00 0.00 C ATOM 630 O ALA A 44 12.798 5.990 0.798 1.00 0.00 O ATOM 631 CB ALA A 44 14.641 4.057 1.897 1.00 0.00 C ATOM 0 H ALA A 44 12.785 3.155 0.107 1.00 0.00 H new ATOM 0 HA ALA A 44 12.876 3.633 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.008 4.810 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.095 3.094 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.905 4.345 0.879 1.00 0.00 H new ATOM 637 N ALA A 45 11.561 5.686 2.653 1.00 0.00 N ATOM 638 CA ALA A 45 10.866 6.962 2.530 1.00 0.00 C ATOM 639 C ALA A 45 11.851 8.126 2.530 1.00 0.00 C ATOM 640 O ALA A 45 12.585 8.330 3.495 1.00 0.00 O ATOM 641 CB ALA A 45 9.855 7.123 3.656 1.00 0.00 C ATOM 0 H ALA A 45 11.283 5.130 3.462 1.00 0.00 H new ATOM 0 HA ALA A 45 10.336 6.969 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.344 8.080 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.125 6.315 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.371 7.090 4.616 1.00 0.00 H new ATOM 647 N ASN A 46 11.861 8.886 1.440 1.00 0.00 N ATOM 648 CA ASN A 46 12.757 10.030 1.314 1.00 0.00 C ATOM 649 C ASN A 46 12.103 11.296 1.860 1.00 0.00 C ATOM 650 O ASN A 46 12.650 12.391 1.736 1.00 0.00 O ATOM 651 CB ASN A 46 13.152 10.236 -0.150 1.00 0.00 C ATOM 652 CG ASN A 46 12.127 11.050 -0.916 1.00 0.00 C ATOM 653 OD1 ASN A 46 12.210 12.277 -0.975 1.00 0.00 O ATOM 654 ND2 ASN A 46 11.152 10.368 -1.506 1.00 0.00 N ATOM 0 H ASN A 46 11.259 8.731 0.631 1.00 0.00 H new ATOM 0 HA ASN A 46 13.653 9.825 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.118 10.738 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.274 9.265 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.432 10.861 -2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.123 9.351 -1.431 1.00 0.00 H new ATOM 661 N ASN A 47 10.930 11.137 2.464 1.00 0.00 N ATOM 662 CA ASN A 47 10.201 12.267 3.028 1.00 0.00 C ATOM 663 C ASN A 47 9.261 11.808 4.139 1.00 0.00 C ATOM 664 O ASN A 47 9.075 10.610 4.351 1.00 0.00 O ATOM 665 CB ASN A 47 9.406 12.985 1.936 1.00 0.00 C ATOM 666 CG ASN A 47 8.989 12.051 0.816 1.00 0.00 C ATOM 667 OD1 ASN A 47 9.702 11.895 -0.175 1.00 0.00 O ATOM 668 ND2 ASN A 47 7.827 11.426 0.969 1.00 0.00 N ATOM 0 H ASN A 47 10.464 10.237 2.575 1.00 0.00 H new ATOM 0 HA ASN A 47 10.927 12.960 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.518 13.440 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.008 13.795 1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.493 10.786 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.269 11.586 1.807 1.00 0.00 H new ATOM 675 N GLU A 48 8.671 12.769 4.842 1.00 0.00 N ATOM 676 CA GLU A 48 7.750 12.462 5.930 1.00 0.00 C ATOM 677 C GLU A 48 6.377 12.075 5.389 1.00 0.00 C ATOM 678 O GLU A 48 5.410 11.961 6.142 1.00 0.00 O ATOM 679 CB GLU A 48 7.619 13.662 6.871 1.00 0.00 C ATOM 680 CG GLU A 48 8.925 14.057 7.540 1.00 0.00 C ATOM 681 CD GLU A 48 8.742 15.142 8.582 1.00 0.00 C ATOM 682 OE1 GLU A 48 8.047 14.887 9.588 1.00 0.00 O ATOM 683 OE2 GLU A 48 9.294 16.246 8.393 1.00 0.00 O ATOM 0 H GLU A 48 8.814 13.766 4.678 1.00 0.00 H new ATOM 0 HA GLU A 48 8.154 11.616 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.237 14.514 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.882 13.431 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.368 13.179 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.628 14.402 6.781 1.00 0.00 H new ATOM 690 N ASP A 49 6.300 11.875 4.078 1.00 0.00 N ATOM 691 CA ASP A 49 5.046 11.500 3.434 1.00 0.00 C ATOM 692 C ASP A 49 5.071 10.035 3.008 1.00 0.00 C ATOM 693 O ASP A 49 4.029 9.387 2.920 1.00 0.00 O ATOM 694 CB ASP A 49 4.785 12.392 2.220 1.00 0.00 C ATOM 695 CG ASP A 49 4.082 13.683 2.591 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.275 13.666 3.544 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.338 14.710 1.928 1.00 0.00 O ATOM 0 H ASP A 49 7.091 11.966 3.440 1.00 0.00 H new ATOM 0 HA ASP A 49 4.240 11.637 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.732 12.624 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.180 11.847 1.496 1.00 0.00 H new ATOM 702 N GLU A 50 6.268 9.521 2.744 1.00 0.00 N ATOM 703 CA GLU A 50 6.428 8.133 2.325 1.00 0.00 C ATOM 704 C GLU A 50 6.578 7.214 3.534 1.00 0.00 C ATOM 705 O GLU A 50 6.691 7.677 4.670 1.00 0.00 O ATOM 706 CB GLU A 50 7.644 7.990 1.408 1.00 0.00 C ATOM 707 CG GLU A 50 7.328 8.216 -0.061 1.00 0.00 C ATOM 708 CD GLU A 50 8.576 8.341 -0.914 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.628 7.804 -0.507 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.501 8.975 -1.987 1.00 0.00 O ATOM 0 H GLU A 50 7.141 10.044 2.813 1.00 0.00 H new ATOM 0 HA GLU A 50 5.533 7.841 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.409 8.701 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.066 6.993 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.722 7.389 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.729 9.121 -0.165 1.00 0.00 H new ATOM 717 N LEU A 51 6.577 5.910 3.282 1.00 0.00 N ATOM 718 CA LEU A 51 6.712 4.924 4.348 1.00 0.00 C ATOM 719 C LEU A 51 8.033 4.170 4.228 1.00 0.00 C ATOM 720 O LEU A 51 8.335 3.589 3.186 1.00 0.00 O ATOM 721 CB LEU A 51 5.543 3.938 4.310 1.00 0.00 C ATOM 722 CG LEU A 51 5.084 3.389 5.661 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.986 2.354 5.471 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.259 2.790 6.421 1.00 0.00 C ATOM 0 H LEU A 51 6.484 5.511 2.348 1.00 0.00 H new ATOM 0 HA LEU A 51 6.702 5.452 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.695 4.429 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.823 3.098 3.675 1.00 0.00 H new ATOM 0 HG LEU A 51 4.680 4.214 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.672 1.974 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.135 2.814 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.363 1.531 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.913 2.404 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.693 1.978 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.013 3.559 6.590 1.00 0.00 H new ATOM 736 N SER A 52 8.815 4.181 5.303 1.00 0.00 N ATOM 737 CA SER A 52 10.104 3.500 5.318 1.00 0.00 C ATOM 738 C SER A 52 9.952 2.062 5.805 1.00 0.00 C ATOM 739 O SER A 52 9.680 1.818 6.981 1.00 0.00 O ATOM 740 CB SER A 52 11.092 4.252 6.212 1.00 0.00 C ATOM 741 OG SER A 52 10.536 4.499 7.491 1.00 0.00 O ATOM 0 H SER A 52 8.578 4.654 6.175 1.00 0.00 H new ATOM 0 HA SER A 52 10.490 3.482 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.008 3.671 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.366 5.197 5.742 1.00 0.00 H new ATOM 0 HG SER A 52 10.074 3.695 7.808 1.00 0.00 H new ATOM 747 N PHE A 53 10.131 1.113 4.892 1.00 0.00 N ATOM 748 CA PHE A 53 10.013 -0.302 5.227 1.00 0.00 C ATOM 749 C PHE A 53 11.026 -1.132 4.443 1.00 0.00 C ATOM 750 O PHE A 53 11.656 -0.640 3.506 1.00 0.00 O ATOM 751 CB PHE A 53 8.596 -0.800 4.937 1.00 0.00 C ATOM 752 CG PHE A 53 8.141 -0.531 3.532 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.380 -1.452 2.524 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.474 0.642 3.217 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.963 -1.206 1.229 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.055 0.893 1.924 1.00 0.00 C ATOM 757 CZ PHE A 53 7.299 -0.033 0.929 1.00 0.00 C ATOM 0 H PHE A 53 10.358 1.298 3.915 1.00 0.00 H new ATOM 0 HA PHE A 53 10.220 -0.417 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.551 -1.873 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.903 -0.325 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.898 -2.372 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.279 1.369 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.157 -1.931 0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.537 1.812 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.971 0.160 -0.082 1.00 0.00 H new ATOM 767 N SER A 54 11.178 -2.393 4.835 1.00 0.00 N ATOM 768 CA SER A 54 12.117 -3.291 4.174 1.00 0.00 C ATOM 769 C SER A 54 11.377 -4.386 3.412 1.00 0.00 C ATOM 770 O SER A 54 10.151 -4.479 3.470 1.00 0.00 O ATOM 771 CB SER A 54 13.064 -3.918 5.198 1.00 0.00 C ATOM 772 OG SER A 54 14.334 -4.179 4.627 1.00 0.00 O ATOM 0 H SER A 54 10.663 -2.816 5.607 1.00 0.00 H new ATOM 0 HA SER A 54 12.699 -2.706 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.176 -3.249 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.634 -4.846 5.575 1.00 0.00 H new ATOM 0 HG SER A 54 14.921 -4.578 5.303 1.00 0.00 H new ATOM 778 N LYS A 55 12.131 -5.214 2.697 1.00 0.00 N ATOM 779 CA LYS A 55 11.549 -6.304 1.923 1.00 0.00 C ATOM 780 C LYS A 55 10.872 -7.319 2.838 1.00 0.00 C ATOM 781 O LYS A 55 11.489 -7.844 3.764 1.00 0.00 O ATOM 782 CB LYS A 55 12.628 -6.996 1.087 1.00 0.00 C ATOM 783 CG LYS A 55 12.080 -8.038 0.128 1.00 0.00 C ATOM 784 CD LYS A 55 13.166 -8.584 -0.784 1.00 0.00 C ATOM 785 CE LYS A 55 12.846 -9.996 -1.249 1.00 0.00 C ATOM 786 NZ LYS A 55 11.661 -10.027 -2.151 1.00 0.00 N ATOM 0 H LYS A 55 13.147 -5.151 2.637 1.00 0.00 H new ATOM 0 HA LYS A 55 10.796 -5.882 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.174 -6.243 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.345 -7.472 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.634 -8.856 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.286 -7.597 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.278 -7.931 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.120 -8.581 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.709 -10.412 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.660 -10.630 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.845 -10.675 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.829 -10.356 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.480 -9.072 -2.520 1.00 0.00 H new ATOM 800 N GLY A 56 9.599 -7.593 2.571 1.00 0.00 N ATOM 801 CA GLY A 56 8.860 -8.546 3.378 1.00 0.00 C ATOM 802 C GLY A 56 8.281 -7.919 4.631 1.00 0.00 C ATOM 803 O GLY A 56 8.168 -8.575 5.666 1.00 0.00 O ATOM 0 H GLY A 56 9.066 -7.172 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.053 -8.973 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.519 -9.368 3.658 1.00 0.00 H new ATOM 807 N GLN A 57 7.915 -6.644 4.538 1.00 0.00 N ATOM 808 CA GLN A 57 7.348 -5.928 5.674 1.00 0.00 C ATOM 809 C GLN A 57 5.835 -6.112 5.733 1.00 0.00 C ATOM 810 O GLN A 57 5.199 -6.438 4.730 1.00 0.00 O ATOM 811 CB GLN A 57 7.689 -4.439 5.588 1.00 0.00 C ATOM 812 CG GLN A 57 7.628 -3.723 6.927 1.00 0.00 C ATOM 813 CD GLN A 57 8.731 -4.156 7.872 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.452 -5.118 7.604 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.869 -3.446 8.986 1.00 0.00 N ATOM 0 H GLN A 57 8.001 -6.087 3.688 1.00 0.00 H new ATOM 0 HA GLN A 57 7.782 -6.341 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.690 -4.327 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.000 -3.956 4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.697 -2.648 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.661 -3.913 7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.249 -2.656 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.595 -3.690 9.660 1.00 0.00 H new ATOM 824 N LEU A 58 5.264 -5.901 6.914 1.00 0.00 N ATOM 825 CA LEU A 58 3.824 -6.044 7.104 1.00 0.00 C ATOM 826 C LEU A 58 3.087 -4.793 6.637 1.00 0.00 C ATOM 827 O LEU A 58 3.039 -3.788 7.347 1.00 0.00 O ATOM 828 CB LEU A 58 3.509 -6.317 8.575 1.00 0.00 C ATOM 829 CG LEU A 58 2.128 -5.873 9.060 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.042 -6.410 8.141 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.893 -6.331 10.492 1.00 0.00 C ATOM 0 H LEU A 58 5.775 -5.630 7.754 1.00 0.00 H new ATOM 0 HA LEU A 58 3.485 -6.888 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.608 -7.388 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.263 -5.820 9.185 1.00 0.00 H new ATOM 0 HG LEU A 58 2.088 -4.784 9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.066 -6.084 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.200 -6.032 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.080 -7.499 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.906 -6.006 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.952 -7.418 10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.653 -5.897 11.142 1.00 0.00 H new ATOM 843 N ILE A 59 2.511 -4.863 5.442 1.00 0.00 N ATOM 844 CA ILE A 59 1.773 -3.737 4.883 1.00 0.00 C ATOM 845 C ILE A 59 0.312 -4.102 4.643 1.00 0.00 C ATOM 846 O ILE A 59 0.010 -5.065 3.939 1.00 0.00 O ATOM 847 CB ILE A 59 2.395 -3.258 3.558 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.811 -2.729 3.796 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.524 -2.187 2.920 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.660 -2.689 2.544 1.00 0.00 C ATOM 0 H ILE A 59 2.541 -5.687 4.842 1.00 0.00 H new ATOM 0 HA ILE A 59 1.828 -2.930 5.613 1.00 0.00 H new ATOM 0 HB ILE A 59 2.454 -4.105 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.749 -1.725 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.304 -3.355 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.977 -1.859 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.533 -2.595 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.436 -1.338 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.650 -2.304 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.753 -3.695 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.190 -2.039 1.806 1.00 0.00 H new ATOM 862 N ASN A 60 -0.591 -3.325 5.232 1.00 0.00 N ATOM 863 CA ASN A 60 -2.021 -3.566 5.081 1.00 0.00 C ATOM 864 C ASN A 60 -2.682 -2.441 4.291 1.00 0.00 C ATOM 865 O ASN A 60 -2.996 -1.384 4.839 1.00 0.00 O ATOM 866 CB ASN A 60 -2.685 -3.699 6.453 1.00 0.00 C ATOM 867 CG ASN A 60 -2.526 -5.088 7.040 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.849 -5.942 6.468 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.153 -5.320 8.188 1.00 0.00 N ATOM 0 H ASN A 60 -0.358 -2.523 5.818 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.151 -4.498 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.252 -2.967 7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.746 -3.464 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.084 -6.236 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.703 -4.582 8.627 1.00 0.00 H new ATOM 876 N VAL A 61 -2.891 -2.675 2.999 1.00 0.00 N ATOM 877 CA VAL A 61 -3.516 -1.683 2.133 1.00 0.00 C ATOM 878 C VAL A 61 -4.909 -1.316 2.633 1.00 0.00 C ATOM 879 O VAL A 61 -5.764 -2.184 2.808 1.00 0.00 O ATOM 880 CB VAL A 61 -3.620 -2.190 0.682 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.297 -1.151 -0.199 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.242 -2.543 0.142 1.00 0.00 C ATOM 0 H VAL A 61 -2.636 -3.544 2.529 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.880 -0.798 2.156 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.231 -3.093 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.362 -1.526 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.300 -0.952 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.715 -0.229 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.334 -2.899 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.605 -1.659 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.799 -3.324 0.759 1.00 0.00 H new ATOM 892 N MET A 62 -5.129 -0.026 2.861 1.00 0.00 N ATOM 893 CA MET A 62 -6.420 0.456 3.340 1.00 0.00 C ATOM 894 C MET A 62 -7.114 1.300 2.275 1.00 0.00 C ATOM 895 O MET A 62 -8.333 1.247 2.127 1.00 0.00 O ATOM 896 CB MET A 62 -6.240 1.275 4.620 1.00 0.00 C ATOM 897 CG MET A 62 -5.443 0.554 5.695 1.00 0.00 C ATOM 898 SD MET A 62 -4.513 1.687 6.746 1.00 0.00 S ATOM 899 CE MET A 62 -5.679 1.942 8.082 1.00 0.00 C ATOM 0 H MET A 62 -4.431 0.705 2.722 1.00 0.00 H new ATOM 0 HA MET A 62 -7.046 -0.410 3.557 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.740 2.212 4.375 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.222 1.533 5.018 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.122 -0.034 6.313 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.754 -0.146 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.931 3.000 8.148 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.583 1.365 7.891 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.233 1.616 9.022 1.00 0.00 H new ATOM 909 N ASN A 63 -6.328 2.077 1.538 1.00 0.00 N ATOM 910 CA ASN A 63 -6.867 2.933 0.488 1.00 0.00 C ATOM 911 C ASN A 63 -6.115 2.727 -0.823 1.00 0.00 C ATOM 912 O ASN A 63 -5.015 3.249 -1.010 1.00 0.00 O ATOM 913 CB ASN A 63 -6.789 4.402 0.908 1.00 0.00 C ATOM 914 CG ASN A 63 -8.037 4.863 1.636 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.025 5.053 2.852 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.123 5.044 0.893 1.00 0.00 N ATOM 0 H ASN A 63 -5.315 2.132 1.648 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.911 2.661 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.922 4.547 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.637 5.022 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.993 5.353 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.087 4.874 -0.112 1.00 0.00 H new ATOM 923 N LYS A 64 -6.714 1.962 -1.729 1.00 0.00 N ATOM 924 CA LYS A 64 -6.103 1.687 -3.024 1.00 0.00 C ATOM 925 C LYS A 64 -6.862 2.392 -4.144 1.00 0.00 C ATOM 926 O LYS A 64 -6.995 1.859 -5.247 1.00 0.00 O ATOM 927 CB LYS A 64 -6.070 0.179 -3.286 1.00 0.00 C ATOM 928 CG LYS A 64 -7.447 -0.459 -3.337 1.00 0.00 C ATOM 929 CD LYS A 64 -7.407 -1.819 -4.014 1.00 0.00 C ATOM 930 CE LYS A 64 -7.302 -1.686 -5.526 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.579 -1.215 -6.131 1.00 0.00 N ATOM 0 H LYS A 64 -7.623 1.521 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.082 2.068 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.558 -0.006 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.483 -0.304 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.837 -0.567 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.133 0.196 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.557 -2.389 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.306 -2.380 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.503 -0.988 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.029 -2.649 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.544 -1.346 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.371 -1.763 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.715 -0.207 -5.914 1.00 0.00 H new ATOM 945 N ASP A 65 -7.355 3.591 -3.856 1.00 0.00 N ATOM 946 CA ASP A 65 -8.097 4.369 -4.840 1.00 0.00 C ATOM 947 C ASP A 65 -7.300 4.514 -6.132 1.00 0.00 C ATOM 948 O ASP A 65 -7.841 4.362 -7.227 1.00 0.00 O ATOM 949 CB ASP A 65 -8.437 5.751 -4.278 1.00 0.00 C ATOM 950 CG ASP A 65 -9.158 6.624 -5.285 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.161 6.158 -5.864 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.719 7.774 -5.496 1.00 0.00 O ATOM 0 H ASP A 65 -7.254 4.045 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.022 3.838 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.059 5.636 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.519 6.247 -3.962 1.00 0.00 H new ATOM 957 N ASP A 66 -6.012 4.811 -5.996 1.00 0.00 N ATOM 958 CA ASP A 66 -5.140 4.977 -7.153 1.00 0.00 C ATOM 959 C ASP A 66 -4.337 3.707 -7.415 1.00 0.00 C ATOM 960 O ASP A 66 -3.621 3.206 -6.547 1.00 0.00 O ATOM 961 CB ASP A 66 -4.192 6.159 -6.938 1.00 0.00 C ATOM 962 CG ASP A 66 -4.925 7.420 -6.525 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.875 7.815 -7.233 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.549 8.012 -5.492 1.00 0.00 O ATOM 0 H ASP A 66 -5.549 4.942 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.766 5.176 -8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.461 5.900 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.638 6.349 -7.857 1.00 0.00 H new ATOM 969 N PRO A 67 -4.458 3.172 -8.638 1.00 0.00 N ATOM 970 CA PRO A 67 -3.751 1.953 -9.043 1.00 0.00 C ATOM 971 C PRO A 67 -2.248 2.172 -9.180 1.00 0.00 C ATOM 972 O PRO A 67 -1.511 1.263 -9.561 1.00 0.00 O ATOM 973 CB PRO A 67 -4.369 1.619 -10.403 1.00 0.00 C ATOM 974 CG PRO A 67 -4.862 2.924 -10.925 1.00 0.00 C ATOM 975 CD PRO A 67 -5.293 3.716 -9.722 1.00 0.00 C ATOM 0 HA PRO A 67 -3.856 1.158 -8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.633 1.176 -11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.182 0.900 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.078 3.445 -11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.693 2.779 -11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.124 4.784 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.355 3.586 -9.515 1.00 0.00 H new ATOM 983 N ASP A 68 -1.801 3.383 -8.868 1.00 0.00 N ATOM 984 CA ASP A 68 -0.385 3.722 -8.955 1.00 0.00 C ATOM 985 C ASP A 68 0.273 3.664 -7.580 1.00 0.00 C ATOM 986 O ASP A 68 1.352 3.093 -7.422 1.00 0.00 O ATOM 987 CB ASP A 68 -0.208 5.115 -9.561 1.00 0.00 C ATOM 988 CG ASP A 68 -1.245 5.420 -10.624 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.503 4.538 -11.470 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.797 6.540 -10.612 1.00 0.00 O ATOM 0 H ASP A 68 -2.399 4.147 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 68 0.100 2.990 -9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.272 5.863 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.788 5.195 -9.996 1.00 0.00 H new ATOM 995 N TRP A 69 -0.383 4.259 -6.591 1.00 0.00 N ATOM 996 CA TRP A 69 0.140 4.276 -5.229 1.00 0.00 C ATOM 997 C TRP A 69 -0.899 3.758 -4.241 1.00 0.00 C ATOM 998 O TRP A 69 -2.097 3.982 -4.411 1.00 0.00 O ATOM 999 CB TRP A 69 0.567 5.693 -4.842 1.00 0.00 C ATOM 1000 CG TRP A 69 1.952 6.041 -5.298 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.371 6.214 -6.586 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.098 6.257 -4.468 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.710 6.524 -6.607 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.179 6.557 -5.320 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.316 6.228 -3.088 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.456 6.825 -4.835 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.585 6.493 -2.609 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.642 6.789 -3.480 1.00 0.00 C ATOM 0 H TRP A 69 -1.277 4.736 -6.706 1.00 0.00 H new ATOM 0 HA TRP A 69 1.009 3.619 -5.192 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.138 6.407 -5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.512 5.798 -3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.743 6.121 -7.460 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.264 6.701 -7.445 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.508 6.003 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.272 7.053 -5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.765 6.472 -1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.622 6.993 -3.074 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.433 3.064 -3.209 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.323 2.513 -2.193 1.00 0.00 C ATOM 1021 C TRP A 70 -0.912 2.977 -0.800 1.00 0.00 C ATOM 1022 O TRP A 70 0.189 3.492 -0.608 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.320 0.985 -2.257 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.011 0.440 -3.470 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.908 1.094 -4.266 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.864 -0.872 -4.022 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.327 0.268 -5.280 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.701 -0.944 -5.154 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.106 -1.993 -3.673 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.799 -2.093 -5.935 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.205 -3.132 -4.449 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.045 -3.175 -5.570 1.00 0.00 C ATOM 0 H TRP A 70 0.556 2.869 -3.053 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.331 2.876 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.290 0.630 -2.244 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.804 0.590 -1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.239 2.111 -4.119 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.996 0.517 -6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.454 -1.969 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.447 -2.129 -6.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.625 -4.004 -4.187 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.098 -4.080 -6.157 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.803 2.791 0.168 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.532 3.192 1.543 1.00 0.00 C ATOM 1045 C GLN A 71 -1.681 2.009 2.494 1.00 0.00 C ATOM 1046 O GLN A 71 -2.724 1.358 2.532 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.474 4.322 1.963 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.201 4.853 3.361 1.00 0.00 C ATOM 1049 CD GLN A 71 -2.933 6.150 3.646 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.787 6.578 2.868 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.602 6.784 4.765 1.00 0.00 N ATOM 0 H GLN A 71 -2.719 2.365 0.025 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.503 3.549 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.387 5.141 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.502 3.964 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.498 4.104 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.129 5.011 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.889 6.393 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.061 7.662 5.009 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.630 1.737 3.262 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.665 0.632 4.203 1.00 0.00 C ATOM 1062 C GLY A 72 -0.094 1.006 5.557 1.00 0.00 C ATOM 1063 O GLY A 72 0.480 2.081 5.720 1.00 0.00 O ATOM 0 H GLY A 72 0.245 2.262 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.695 0.296 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.103 -0.208 3.794 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.255 0.115 6.531 1.00 0.00 N ATOM 1068 CA GLU A 73 0.247 0.359 7.878 1.00 0.00 C ATOM 1069 C GLU A 73 1.300 -0.677 8.262 1.00 0.00 C ATOM 1070 O GLU A 73 1.198 -1.847 7.892 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.903 0.332 8.887 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.647 -0.992 8.926 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.707 -1.034 10.010 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.600 -0.162 10.001 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.642 -1.940 10.867 1.00 0.00 O ATOM 0 H GLU A 73 -0.728 -0.781 6.412 1.00 0.00 H new ATOM 0 HA GLU A 73 0.711 1.345 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.509 0.547 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.607 1.128 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.115 -1.170 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.934 -1.800 9.089 1.00 0.00 H new ATOM 1082 N ILE A 74 2.310 -0.238 9.005 1.00 0.00 N ATOM 1083 CA ILE A 74 3.381 -1.126 9.440 1.00 0.00 C ATOM 1084 C ILE A 74 3.709 -0.911 10.913 1.00 0.00 C ATOM 1085 O ILE A 74 4.461 -0.004 11.266 1.00 0.00 O ATOM 1086 CB ILE A 74 4.658 -0.918 8.605 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.322 -0.904 7.112 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.676 -2.006 8.914 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.495 -0.532 6.232 1.00 0.00 C ATOM 0 H ILE A 74 2.409 0.728 9.318 1.00 0.00 H new ATOM 0 HA ILE A 74 3.024 -2.146 9.295 1.00 0.00 H new ATOM 0 HB ILE A 74 5.093 0.046 8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.958 -1.889 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.509 -0.199 6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.573 -1.845 8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.935 -1.972 9.972 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.251 -2.981 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.184 -0.542 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.846 0.466 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.301 -1.251 6.378 1.00 0.00 H new ATOM 1101 N ASN A 75 3.141 -1.754 11.769 1.00 0.00 N ATOM 1102 CA ASN A 75 3.374 -1.658 13.206 1.00 0.00 C ATOM 1103 C ASN A 75 2.809 -0.354 13.762 1.00 0.00 C ATOM 1104 O ASN A 75 3.508 0.400 14.438 1.00 0.00 O ATOM 1105 CB ASN A 75 4.872 -1.747 13.507 1.00 0.00 C ATOM 1106 CG ASN A 75 5.327 -3.171 13.760 1.00 0.00 C ATOM 1107 OD1 ASN A 75 4.797 -3.858 14.634 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.313 -3.622 12.994 1.00 0.00 N ATOM 0 H ASN A 75 2.516 -2.511 11.493 1.00 0.00 H new ATOM 0 HA ASN A 75 2.863 -2.491 13.689 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.433 -1.332 12.670 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.102 -1.135 14.379 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.661 -4.573 13.118 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.723 -3.018 12.282 1.00 0.00 H new ATOM 1115 N GLY A 76 1.537 -0.097 13.474 1.00 0.00 N ATOM 1116 CA GLY A 76 0.898 1.115 13.954 1.00 0.00 C ATOM 1117 C GLY A 76 1.366 2.350 13.210 1.00 0.00 C ATOM 1118 O GLY A 76 0.945 3.466 13.517 1.00 0.00 O ATOM 0 H GLY A 76 0.937 -0.706 12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.183 1.019 13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.105 1.235 15.017 1.00 0.00 H new ATOM 1122 N VAL A 77 2.242 2.153 12.229 1.00 0.00 N ATOM 1123 CA VAL A 77 2.768 3.260 11.440 1.00 0.00 C ATOM 1124 C VAL A 77 2.077 3.345 10.084 1.00 0.00 C ATOM 1125 O VAL A 77 1.656 2.332 9.524 1.00 0.00 O ATOM 1126 CB VAL A 77 4.287 3.121 11.222 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.576 2.390 9.920 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.953 4.489 11.234 1.00 0.00 C ATOM 0 H VAL A 77 2.602 1.237 11.962 1.00 0.00 H new ATOM 0 HA VAL A 77 2.571 4.172 12.003 1.00 0.00 H new ATOM 0 HB VAL A 77 4.702 2.532 12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.654 2.302 9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.132 1.395 9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.150 2.949 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.026 4.373 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.535 5.104 10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.776 4.972 12.195 1.00 0.00 H new ATOM 1138 N THR A 78 1.964 4.561 9.559 1.00 0.00 N ATOM 1139 CA THR A 78 1.324 4.780 8.268 1.00 0.00 C ATOM 1140 C THR A 78 2.213 5.606 7.346 1.00 0.00 C ATOM 1141 O THR A 78 3.025 6.409 7.805 1.00 0.00 O ATOM 1142 CB THR A 78 -0.033 5.492 8.427 1.00 0.00 C ATOM 1143 OG1 THR A 78 0.133 6.699 9.179 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.039 4.588 9.124 1.00 0.00 C ATOM 0 H THR A 78 2.308 5.410 10.008 1.00 0.00 H new ATOM 0 HA THR A 78 1.161 3.797 7.826 1.00 0.00 H new ATOM 0 HB THR A 78 -0.412 5.733 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.747 7.063 9.411 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.990 5.112 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.184 3.683 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.665 4.321 10.112 1.00 0.00 H new ATOM 1152 N GLY A 79 2.054 5.405 6.041 1.00 0.00 N ATOM 1153 CA GLY A 79 2.850 6.140 5.075 1.00 0.00 C ATOM 1154 C GLY A 79 2.329 5.988 3.660 1.00 0.00 C ATOM 1155 O GLY A 79 1.234 5.466 3.446 1.00 0.00 O ATOM 0 H GLY A 79 1.389 4.747 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.859 7.196 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.882 5.791 5.119 1.00 0.00 H new ATOM 1159 N LEU A 80 3.112 6.446 2.690 1.00 0.00 N ATOM 1160 CA LEU A 80 2.723 6.361 1.287 1.00 0.00 C ATOM 1161 C LEU A 80 3.755 5.577 0.482 1.00 0.00 C ATOM 1162 O LEU A 80 4.958 5.811 0.600 1.00 0.00 O ATOM 1163 CB LEU A 80 2.557 7.762 0.697 1.00 0.00 C ATOM 1164 CG LEU A 80 1.243 8.475 1.018 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.313 9.936 0.602 1.00 0.00 C ATOM 1166 CD2 LEU A 80 0.077 7.778 0.333 1.00 0.00 C ATOM 0 H LEU A 80 4.021 6.880 2.849 1.00 0.00 H new ATOM 0 HA LEU A 80 1.770 5.835 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.380 8.383 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.654 7.692 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 80 1.083 8.433 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.369 10.427 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.123 10.429 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.497 10.001 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.850 8.299 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.230 7.788 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.014 6.747 0.681 1.00 0.00 H new ATOM 1178 N PHE A 81 3.276 4.646 -0.337 1.00 0.00 N ATOM 1179 CA PHE A 81 4.157 3.828 -1.162 1.00 0.00 C ATOM 1180 C PHE A 81 3.456 3.401 -2.448 1.00 0.00 C ATOM 1181 O PHE A 81 2.229 3.316 -2.518 1.00 0.00 O ATOM 1182 CB PHE A 81 4.618 2.593 -0.385 1.00 0.00 C ATOM 1183 CG PHE A 81 3.488 1.808 0.217 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.579 1.146 -0.592 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.335 1.731 1.592 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.538 0.422 -0.042 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.297 1.008 2.148 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.397 0.354 1.330 1.00 0.00 C ATOM 0 H PHE A 81 2.283 4.440 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 81 5.028 4.429 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.185 1.944 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.296 2.905 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.685 1.196 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.035 2.242 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.836 -0.090 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.190 0.954 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.584 -0.210 1.763 1.00 0.00 H new ATOM 1198 N PRO A 82 4.252 3.125 -3.492 1.00 0.00 N ATOM 1199 CA PRO A 82 3.730 2.702 -4.795 1.00 0.00 C ATOM 1200 C PRO A 82 3.134 1.299 -4.753 1.00 0.00 C ATOM 1201 O PRO A 82 3.606 0.436 -4.013 1.00 0.00 O ATOM 1202 CB PRO A 82 4.965 2.732 -5.698 1.00 0.00 C ATOM 1203 CG PRO A 82 6.117 2.543 -4.772 1.00 0.00 C ATOM 1204 CD PRO A 82 5.722 3.205 -3.481 1.00 0.00 C ATOM 0 HA PRO A 82 2.919 3.345 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.926 1.942 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.040 3.678 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.326 1.484 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.023 2.991 -5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.146 2.690 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.068 4.238 -3.437 1.00 0.00 H new ATOM 1212 N SER A 83 2.096 1.078 -5.553 1.00 0.00 N ATOM 1213 CA SER A 83 1.433 -0.220 -5.605 1.00 0.00 C ATOM 1214 C SER A 83 2.241 -1.209 -6.439 1.00 0.00 C ATOM 1215 O SER A 83 1.784 -2.314 -6.726 1.00 0.00 O ATOM 1216 CB SER A 83 0.026 -0.075 -6.186 1.00 0.00 C ATOM 1217 OG SER A 83 0.074 0.292 -7.554 1.00 0.00 O ATOM 0 H SER A 83 1.696 1.781 -6.174 1.00 0.00 H new ATOM 0 HA SER A 83 1.360 -0.604 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.514 -1.015 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.527 0.677 -5.624 1.00 0.00 H new ATOM 0 HG SER A 83 -0.831 0.494 -7.870 1.00 0.00 H new ATOM 1223 N ASN A 84 3.446 -0.802 -6.826 1.00 0.00 N ATOM 1224 CA ASN A 84 4.318 -1.651 -7.629 1.00 0.00 C ATOM 1225 C ASN A 84 5.398 -2.295 -6.763 1.00 0.00 C ATOM 1226 O ASN A 84 5.987 -3.308 -7.138 1.00 0.00 O ATOM 1227 CB ASN A 84 4.966 -0.837 -8.750 1.00 0.00 C ATOM 1228 CG ASN A 84 3.959 -0.373 -9.784 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.331 -1.185 -10.464 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.800 0.940 -9.907 1.00 0.00 N ATOM 0 H ASN A 84 3.840 0.110 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 84 3.710 -2.442 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.469 0.030 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.732 -1.441 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.136 1.312 -10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.342 1.576 -9.322 1.00 0.00 H new ATOM 1237 N TYR A 85 5.651 -1.698 -5.603 1.00 0.00 N ATOM 1238 CA TYR A 85 6.660 -2.212 -4.685 1.00 0.00 C ATOM 1239 C TYR A 85 6.059 -3.246 -3.737 1.00 0.00 C ATOM 1240 O TYR A 85 6.675 -3.623 -2.740 1.00 0.00 O ATOM 1241 CB TYR A 85 7.278 -1.066 -3.881 1.00 0.00 C ATOM 1242 CG TYR A 85 8.507 -0.466 -4.529 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.414 0.236 -5.724 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.760 -0.601 -3.944 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.533 0.784 -6.319 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.885 -0.055 -4.531 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.766 0.637 -5.719 1.00 0.00 C ATOM 1248 OH TYR A 85 11.883 1.183 -6.308 1.00 0.00 O ATOM 0 H TYR A 85 5.172 -0.859 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 85 7.438 -2.696 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.531 -0.284 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.542 -1.431 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.450 0.355 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.856 -1.142 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.443 1.325 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.852 -0.169 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 85 12.670 0.990 -5.758 1.00 0.00 H new ATOM 1258 N VAL A 86 4.852 -3.701 -4.057 1.00 0.00 N ATOM 1259 CA VAL A 86 4.167 -4.693 -3.237 1.00 0.00 C ATOM 1260 C VAL A 86 3.479 -5.742 -4.104 1.00 0.00 C ATOM 1261 O VAL A 86 3.072 -5.462 -5.231 1.00 0.00 O ATOM 1262 CB VAL A 86 3.121 -4.035 -2.318 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.767 -2.962 -1.455 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.980 -3.454 -3.140 1.00 0.00 C ATOM 0 H VAL A 86 4.328 -3.398 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 86 4.927 -5.176 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 86 2.711 -4.800 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.012 -2.509 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.546 -3.411 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.206 -2.196 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.250 -2.993 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.371 -2.702 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.500 -4.250 -3.710 1.00 0.00 H new ATOM 1274 N LYS A 87 3.351 -6.951 -3.569 1.00 0.00 N ATOM 1275 CA LYS A 87 2.710 -8.044 -4.292 1.00 0.00 C ATOM 1276 C LYS A 87 1.669 -8.736 -3.419 1.00 0.00 C ATOM 1277 O LYS A 87 1.980 -9.220 -2.331 1.00 0.00 O ATOM 1278 CB LYS A 87 3.757 -9.058 -4.757 1.00 0.00 C ATOM 1279 CG LYS A 87 3.252 -10.004 -5.833 1.00 0.00 C ATOM 1280 CD LYS A 87 4.246 -11.120 -6.106 1.00 0.00 C ATOM 1281 CE LYS A 87 3.814 -11.974 -7.288 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.769 -11.190 -8.553 1.00 0.00 N ATOM 0 H LYS A 87 3.683 -7.199 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 87 2.207 -7.625 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.627 -8.522 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.091 -9.642 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.299 -10.432 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.068 -9.447 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.229 -10.693 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.344 -11.747 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.504 -12.810 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.830 -12.398 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.757 -11.841 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.911 -10.603 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.608 -10.578 -8.612 1.00 0.00 H new ATOM 1296 N MET A 88 0.432 -8.781 -3.903 1.00 0.00 N ATOM 1297 CA MET A 88 -0.654 -9.417 -3.167 1.00 0.00 C ATOM 1298 C MET A 88 -0.197 -10.739 -2.558 1.00 0.00 C ATOM 1299 O MET A 88 0.064 -11.707 -3.274 1.00 0.00 O ATOM 1300 CB MET A 88 -1.853 -9.654 -4.088 1.00 0.00 C ATOM 1301 CG MET A 88 -2.391 -8.382 -4.724 1.00 0.00 C ATOM 1302 SD MET A 88 -3.940 -8.650 -5.608 1.00 0.00 S ATOM 1303 CE MET A 88 -4.815 -7.135 -5.223 1.00 0.00 C ATOM 0 H MET A 88 0.157 -8.385 -4.802 1.00 0.00 H new ATOM 0 HA MET A 88 -0.952 -8.749 -2.359 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.564 -10.350 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.650 -10.131 -3.518 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.544 -7.630 -3.950 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.648 -7.983 -5.414 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.795 -7.150 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.938 -7.050 -4.143 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.245 -6.282 -5.591 1.00 0.00 H new ATOM 1313 N THR A 89 -0.102 -10.773 -1.233 1.00 0.00 N ATOM 1314 CA THR A 89 0.324 -11.976 -0.528 1.00 0.00 C ATOM 1315 C THR A 89 -0.564 -13.164 -0.880 1.00 0.00 C ATOM 1316 O THR A 89 -0.076 -14.270 -1.115 1.00 0.00 O ATOM 1317 CB THR A 89 0.305 -11.769 0.998 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.028 -11.485 1.437 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.230 -10.631 1.402 1.00 0.00 C ATOM 0 H THR A 89 -0.314 -9.981 -0.626 1.00 0.00 H new ATOM 0 HA THR A 89 1.346 -12.184 -0.846 1.00 0.00 H new ATOM 0 HB THR A 89 0.656 -12.686 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.255 -10.558 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.199 -10.504 2.484 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.249 -10.863 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.905 -9.709 0.919 1.00 0.00 H new ATOM 1327 N THR A 90 -1.872 -12.929 -0.915 1.00 0.00 N ATOM 1328 CA THR A 90 -2.829 -13.980 -1.238 1.00 0.00 C ATOM 1329 C THR A 90 -2.789 -15.097 -0.202 1.00 0.00 C ATOM 1330 O THR A 90 -2.877 -16.277 -0.543 1.00 0.00 O ATOM 1331 CB THR A 90 -2.557 -14.578 -2.631 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.234 -13.535 -3.558 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.768 -15.351 -3.133 1.00 0.00 C ATOM 0 H THR A 90 -2.293 -12.020 -0.724 1.00 0.00 H new ATOM 0 HA THR A 90 -3.817 -13.520 -1.234 1.00 0.00 H new ATOM 0 HB THR A 90 -1.714 -15.265 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.317 -13.229 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.553 -15.764 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.994 -16.162 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.625 -14.681 -3.200 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.655 -14.718 1.065 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.606 -15.689 2.152 1.00 0.00 C ATOM 1343 C ASP A 91 -4.001 -16.210 2.479 1.00 0.00 C ATOM 1344 O ASP A 91 -4.401 -16.255 3.643 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.978 -15.060 3.397 1.00 0.00 C ATOM 1346 CG ASP A 91 -0.476 -14.896 3.268 1.00 0.00 C ATOM 1347 OD1 ASP A 91 0.222 -15.921 3.116 1.00 0.00 O ATOM 1348 OD2 ASP A 91 0.002 -13.743 3.319 1.00 0.00 O ATOM 0 H ASP A 91 -2.578 -13.746 1.364 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.991 -16.529 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.433 -14.086 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.200 -15.681 4.265 1.00 0.00 H new ATOM 1353 N SER A 92 -4.739 -16.602 1.445 1.00 0.00 N ATOM 1354 CA SER A 92 -6.092 -17.116 1.622 1.00 0.00 C ATOM 1355 C SER A 92 -6.127 -18.630 1.436 1.00 0.00 C ATOM 1356 O SER A 92 -5.852 -19.139 0.349 1.00 0.00 O ATOM 1357 CB SER A 92 -7.048 -16.447 0.633 1.00 0.00 C ATOM 1358 OG SER A 92 -6.570 -16.563 -0.696 1.00 0.00 O ATOM 0 H SER A 92 -4.422 -16.573 0.476 1.00 0.00 H new ATOM 0 HA SER A 92 -6.412 -16.885 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.034 -16.905 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.164 -15.394 0.890 1.00 0.00 H new ATOM 0 HG SER A 92 -6.179 -17.452 -0.827 1.00 0.00 H new ATOM 1364 N SER A 93 -6.468 -19.344 2.504 1.00 0.00 N ATOM 1365 CA SER A 93 -6.536 -20.800 2.461 1.00 0.00 C ATOM 1366 C SER A 93 -7.764 -21.309 3.208 1.00 0.00 C ATOM 1367 O SER A 93 -8.076 -20.842 4.303 1.00 0.00 O ATOM 1368 CB SER A 93 -5.269 -21.409 3.064 1.00 0.00 C ATOM 1369 OG SER A 93 -5.023 -22.701 2.537 1.00 0.00 O ATOM 0 H SER A 93 -6.702 -18.938 3.410 1.00 0.00 H new ATOM 0 HA SER A 93 -6.615 -21.104 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.417 -20.761 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.370 -21.468 4.148 1.00 0.00 H new ATOM 0 HG SER A 93 -4.207 -23.068 2.937 1.00 0.00 H new ATOM 1375 N GLY A 94 -8.459 -22.270 2.608 1.00 0.00 N ATOM 1376 CA GLY A 94 -9.645 -22.828 3.230 1.00 0.00 C ATOM 1377 C GLY A 94 -9.394 -24.193 3.838 1.00 0.00 C ATOM 1378 O GLY A 94 -8.423 -24.874 3.509 1.00 0.00 O ATOM 0 H GLY A 94 -8.222 -22.672 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.999 -22.148 4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.439 -22.905 2.487 1.00 0.00 H new ATOM 1382 N PRO A 95 -10.284 -24.612 4.750 1.00 0.00 N ATOM 1383 CA PRO A 95 -10.175 -25.908 5.426 1.00 0.00 C ATOM 1384 C PRO A 95 -10.442 -27.077 4.485 1.00 0.00 C ATOM 1385 O PRO A 95 -11.486 -27.136 3.834 1.00 0.00 O ATOM 1386 CB PRO A 95 -11.254 -25.835 6.509 1.00 0.00 C ATOM 1387 CG PRO A 95 -12.251 -24.859 5.986 1.00 0.00 C ATOM 1388 CD PRO A 95 -11.466 -23.852 5.191 1.00 0.00 C ATOM 0 HA PRO A 95 -9.172 -26.081 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.708 -26.811 6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.838 -25.504 7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.994 -25.356 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.791 -24.378 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.039 -23.473 4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.187 -22.991 5.798 1.00 0.00 H new ATOM 1396 N SER A 96 -9.494 -28.006 4.418 1.00 0.00 N ATOM 1397 CA SER A 96 -9.626 -29.172 3.553 1.00 0.00 C ATOM 1398 C SER A 96 -10.617 -30.174 4.139 1.00 0.00 C ATOM 1399 O SER A 96 -10.733 -30.308 5.357 1.00 0.00 O ATOM 1400 CB SER A 96 -8.265 -29.842 3.353 1.00 0.00 C ATOM 1401 OG SER A 96 -7.845 -30.506 4.532 1.00 0.00 O ATOM 0 H SER A 96 -8.626 -27.974 4.953 1.00 0.00 H new ATOM 0 HA SER A 96 -10.003 -28.836 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.325 -30.556 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.525 -29.093 3.071 1.00 0.00 H new ATOM 0 HG SER A 96 -6.974 -30.927 4.377 1.00 0.00 H new ATOM 1407 N SER A 97 -11.330 -30.874 3.263 1.00 0.00 N ATOM 1408 CA SER A 97 -12.314 -31.860 3.692 1.00 0.00 C ATOM 1409 C SER A 97 -11.772 -33.277 3.525 1.00 0.00 C ATOM 1410 O SER A 97 -11.031 -33.563 2.586 1.00 0.00 O ATOM 1411 CB SER A 97 -13.609 -31.700 2.893 1.00 0.00 C ATOM 1412 OG SER A 97 -14.420 -30.673 3.437 1.00 0.00 O ATOM 0 H SER A 97 -11.244 -30.776 2.251 1.00 0.00 H new ATOM 0 HA SER A 97 -12.524 -31.692 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.373 -31.470 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.159 -32.641 2.894 1.00 0.00 H new ATOM 0 HG SER A 97 -15.241 -30.589 2.908 1.00 0.00 H new ATOM 1418 N GLY A 98 -12.148 -34.160 4.445 1.00 0.00 N ATOM 1419 CA GLY A 98 -11.691 -35.536 4.383 1.00 0.00 C ATOM 1420 C GLY A 98 -11.775 -36.236 5.725 1.00 0.00 C ATOM 1421 O GLY A 98 -11.013 -35.927 6.642 1.00 0.00 O ATOM 0 H GLY A 98 -12.761 -33.947 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.290 -36.082 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.660 -35.558 4.029 1.00 0.00 H new TER 1425 GLY A 98