USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 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 24 ASN : amide:sc= 0.21 K(o=-0.24,f=-6.7!) USER MOD Set 1.2: A 107 MET CE :methyl 141:sc= -0.454 (180deg=-0.587) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00122) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 29 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.32) USER MOD Single : A 33 TYR OH : rot 96:sc= 0.324 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 70:sc= 0.497 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.000361 X(o=-0.00036,f=-0.047) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 31:sc= 1.2 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0.0325 USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= 0.822 (180deg=0.106) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -170:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 108 THR OG1 : rot 70:sc= 0.482 USER MOD Single : A 109 ASN : amide:sc= 0.795 K(o=0.79,f=-0.85) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -29:sc= 1.04 USER MOD Single : A 118 GLN : amide:sc= -0.905 K(o=-0.9,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -4.043 -9.184 -10.626 1.00 34.44 N ATOM 19 CA GLY A 2 -2.686 -8.998 -11.143 1.00 61.13 C ATOM 20 C GLY A 2 -2.463 -7.626 -11.770 1.00 3.00 C ATOM 21 O GLY A 2 -2.219 -7.486 -12.969 1.00 24.24 O ATOM 0 HA2 GLY A 2 -1.973 -9.139 -10.331 1.00 61.13 H new ATOM 0 HA3 GLY A 2 -2.479 -9.768 -11.887 1.00 61.13 H new ATOM 25 N ILE A 3 -2.551 -6.584 -10.950 1.00 5.23 N ATOM 26 CA ILE A 3 -2.355 -5.198 -11.375 1.00 43.03 C ATOM 27 C ILE A 3 -0.859 -4.980 -11.652 1.00 32.22 C ATOM 28 O ILE A 3 -0.010 -5.689 -11.103 1.00 55.23 O ATOM 29 CB ILE A 3 -2.916 -4.234 -10.296 1.00 62.13 C ATOM 30 CG1 ILE A 3 -4.299 -4.734 -9.831 1.00 4.40 C ATOM 31 CG2 ILE A 3 -3.034 -2.785 -10.803 1.00 33.31 C ATOM 32 CD1 ILE A 3 -5.014 -3.795 -8.861 1.00 61.32 C ATOM 0 H ILE A 3 -2.763 -6.677 -9.957 1.00 5.23 H new ATOM 0 HA ILE A 3 -2.901 -4.987 -12.295 1.00 43.03 H new ATOM 0 HB ILE A 3 -2.212 -4.229 -9.464 1.00 62.13 H new ATOM 0 HG12 ILE A 3 -4.931 -4.883 -10.706 1.00 4.40 H new ATOM 0 HG13 ILE A 3 -4.179 -5.707 -9.355 1.00 4.40 H new ATOM 0 HG21 ILE A 3 -3.431 -2.153 -10.009 1.00 33.31 H new ATOM 0 HG22 ILE A 3 -2.050 -2.421 -11.098 1.00 33.31 H new ATOM 0 HG23 ILE A 3 -3.705 -2.753 -11.662 1.00 33.31 H new ATOM 0 HD11 ILE A 3 -5.978 -4.222 -8.585 1.00 61.32 H new ATOM 0 HD12 ILE A 3 -4.405 -3.664 -7.966 1.00 61.32 H new ATOM 0 HD13 ILE A 3 -5.169 -2.828 -9.339 1.00 61.32 H new ATOM 44 N THR A 4 -0.524 -3.973 -12.453 1.00 31.10 N ATOM 45 CA THR A 4 0.834 -3.468 -12.615 1.00 3.25 C ATOM 46 C THR A 4 0.911 -2.085 -11.970 1.00 62.22 C ATOM 47 O THR A 4 -0.055 -1.318 -12.009 1.00 14.32 O ATOM 48 CB THR A 4 1.205 -3.439 -14.106 1.00 72.52 C ATOM 49 OG1 THR A 4 1.185 -4.778 -14.584 1.00 32.35 O ATOM 50 CG2 THR A 4 2.585 -2.806 -14.345 1.00 24.43 C ATOM 0 H THR A 4 -1.208 -3.473 -13.022 1.00 31.10 H new ATOM 0 HA THR A 4 1.556 -4.120 -12.122 1.00 3.25 H new ATOM 0 HB THR A 4 0.484 -2.823 -14.643 1.00 72.52 H new ATOM 0 HG1 THR A 4 1.417 -4.789 -15.536 1.00 32.35 H new ATOM 0 HG21 THR A 4 2.806 -2.807 -15.412 1.00 24.43 H new ATOM 0 HG22 THR A 4 2.584 -1.781 -13.975 1.00 24.43 H new ATOM 0 HG23 THR A 4 3.346 -3.381 -13.817 1.00 24.43 H new ATOM 58 N ILE A 5 2.072 -1.766 -11.394 1.00 64.22 N ATOM 59 CA ILE A 5 2.365 -0.467 -10.818 1.00 2.12 C ATOM 60 C ILE A 5 3.513 0.164 -11.604 1.00 75.33 C ATOM 61 O ILE A 5 4.331 -0.532 -12.212 1.00 63.12 O ATOM 62 CB ILE A 5 2.721 -0.594 -9.320 1.00 73.43 C ATOM 63 CG1 ILE A 5 1.912 -1.655 -8.550 1.00 63.22 C ATOM 64 CG2 ILE A 5 2.591 0.768 -8.623 1.00 50.24 C ATOM 65 CD1 ILE A 5 0.413 -1.423 -8.447 1.00 20.33 C ATOM 0 H ILE A 5 2.847 -2.424 -11.317 1.00 64.22 H new ATOM 0 HA ILE A 5 1.484 0.171 -10.884 1.00 2.12 H new ATOM 0 HB ILE A 5 3.755 -0.939 -9.301 1.00 73.43 H new ATOM 0 HG12 ILE A 5 2.076 -2.621 -9.027 1.00 63.22 H new ATOM 0 HG13 ILE A 5 2.316 -1.726 -7.540 1.00 63.22 H new ATOM 0 HG21 ILE A 5 2.845 0.663 -7.568 1.00 50.24 H new ATOM 0 HG22 ILE A 5 3.269 1.482 -9.090 1.00 50.24 H new ATOM 0 HG23 ILE A 5 1.566 1.128 -8.715 1.00 50.24 H new ATOM 0 HD11 ILE A 5 -0.043 -2.237 -7.883 1.00 20.33 H new ATOM 0 HD12 ILE A 5 0.225 -0.478 -7.937 1.00 20.33 H new ATOM 0 HD13 ILE A 5 -0.019 -1.388 -9.447 1.00 20.33 H new ATOM 77 N THR A 6 3.586 1.481 -11.529 1.00 41.44 N ATOM 78 CA THR A 6 4.622 2.340 -12.080 1.00 11.33 C ATOM 79 C THR A 6 5.159 3.315 -11.023 1.00 23.13 C ATOM 80 O THR A 6 4.419 3.775 -10.155 1.00 50.22 O ATOM 81 CB THR A 6 4.036 3.092 -13.284 1.00 20.22 C ATOM 82 OG1 THR A 6 2.674 3.449 -13.097 1.00 12.32 O ATOM 83 CG2 THR A 6 4.147 2.214 -14.525 1.00 54.41 C ATOM 0 H THR A 6 2.868 2.020 -11.044 1.00 41.44 H new ATOM 0 HA THR A 6 5.468 1.733 -12.402 1.00 11.33 H new ATOM 0 HB THR A 6 4.607 4.013 -13.399 1.00 20.22 H new ATOM 0 HG1 THR A 6 2.349 3.926 -13.889 1.00 12.32 H new ATOM 0 HG21 THR A 6 3.732 2.743 -15.383 1.00 54.41 H new ATOM 0 HG22 THR A 6 5.195 1.982 -14.714 1.00 54.41 H new ATOM 0 HG23 THR A 6 3.593 1.289 -14.367 1.00 54.41 H new ATOM 91 N ASP A 7 6.447 3.654 -11.107 1.00 13.41 N ATOM 92 CA ASP A 7 7.151 4.565 -10.195 1.00 74.51 C ATOM 93 C ASP A 7 6.599 5.985 -10.291 1.00 71.51 C ATOM 94 O ASP A 7 6.560 6.706 -9.297 1.00 74.51 O ATOM 95 CB ASP A 7 8.656 4.587 -10.493 1.00 41.43 C ATOM 96 CG ASP A 7 9.292 3.202 -10.354 1.00 54.21 C ATOM 97 OD1 ASP A 7 9.237 2.593 -9.266 1.00 65.33 O ATOM 98 OD2 ASP A 7 9.749 2.669 -11.392 1.00 2.30 O ATOM 0 H ASP A 7 7.054 3.288 -11.840 1.00 13.41 H new ATOM 0 HA ASP A 7 6.990 4.191 -9.184 1.00 74.51 H new ATOM 0 HB2 ASP A 7 8.819 4.960 -11.504 1.00 41.43 H new ATOM 0 HB3 ASP A 7 9.149 5.282 -9.813 1.00 41.43 H new ATOM 103 N GLU A 8 6.163 6.390 -11.484 1.00 34.33 N ATOM 104 CA GLU A 8 5.583 7.708 -11.740 1.00 34.33 C ATOM 105 C GLU A 8 4.252 7.836 -10.999 1.00 73.23 C ATOM 106 O GLU A 8 3.996 8.843 -10.346 1.00 42.45 O ATOM 107 CB GLU A 8 5.394 7.867 -13.255 1.00 42.23 C ATOM 108 CG GLU A 8 6.730 8.013 -14.001 1.00 55.31 C ATOM 109 CD GLU A 8 7.166 9.468 -14.139 1.00 33.05 C ATOM 110 OE1 GLU A 8 7.768 10.006 -13.188 1.00 43.51 O ATOM 111 OE2 GLU A 8 6.908 10.042 -15.225 1.00 42.35 O ATOM 0 H GLU A 8 6.204 5.800 -12.315 1.00 34.33 H new ATOM 0 HA GLU A 8 6.243 8.497 -11.378 1.00 34.33 H new ATOM 0 HB2 GLU A 8 4.857 7.002 -13.644 1.00 42.23 H new ATOM 0 HB3 GLU A 8 4.774 8.742 -13.451 1.00 42.23 H new ATOM 0 HG2 GLU A 8 7.501 7.455 -13.471 1.00 55.31 H new ATOM 0 HG3 GLU A 8 6.639 7.569 -14.992 1.00 55.31 H new ATOM 118 N LEU A 9 3.416 6.796 -11.032 1.00 61.33 N ATOM 119 CA LEU A 9 2.204 6.693 -10.242 1.00 63.43 C ATOM 120 C LEU A 9 2.554 6.720 -8.753 1.00 22.10 C ATOM 121 O LEU A 9 1.880 7.390 -7.977 1.00 54.31 O ATOM 122 CB LEU A 9 1.493 5.418 -10.706 1.00 72.50 C ATOM 123 CG LEU A 9 0.450 4.914 -9.719 1.00 2.13 C ATOM 124 CD1 LEU A 9 -0.723 5.877 -9.541 1.00 5.21 C ATOM 125 CD2 LEU A 9 -0.035 3.536 -10.172 1.00 4.42 C ATOM 0 H LEU A 9 3.575 5.984 -11.628 1.00 61.33 H new ATOM 0 HA LEU A 9 1.525 7.534 -10.384 1.00 63.43 H new ATOM 0 HB2 LEU A 9 1.012 5.608 -11.666 1.00 72.50 H new ATOM 0 HB3 LEU A 9 2.235 4.636 -10.870 1.00 72.50 H new ATOM 0 HG LEU A 9 0.922 4.843 -8.739 1.00 2.13 H new ATOM 0 HD11 LEU A 9 -1.431 5.460 -8.825 1.00 5.21 H new ATOM 0 HD12 LEU A 9 -0.355 6.834 -9.171 1.00 5.21 H new ATOM 0 HD13 LEU A 9 -1.221 6.025 -10.499 1.00 5.21 H new ATOM 0 HD21 LEU A 9 -0.783 3.165 -9.471 1.00 4.42 H new ATOM 0 HD22 LEU A 9 -0.476 3.614 -11.166 1.00 4.42 H new ATOM 0 HD23 LEU A 9 0.808 2.845 -10.202 1.00 4.42 H new ATOM 137 N LEU A 10 3.610 6.026 -8.328 1.00 1.30 N ATOM 138 CA LEU A 10 3.959 5.954 -6.910 1.00 44.24 C ATOM 139 C LEU A 10 4.300 7.331 -6.332 1.00 13.43 C ATOM 140 O LEU A 10 4.043 7.591 -5.152 1.00 23.43 O ATOM 141 CB LEU A 10 5.090 4.938 -6.700 1.00 13.34 C ATOM 142 CG LEU A 10 4.558 3.507 -6.887 1.00 72.41 C ATOM 143 CD1 LEU A 10 5.665 2.542 -7.297 1.00 41.12 C ATOM 144 CD2 LEU A 10 3.916 2.988 -5.604 1.00 41.10 C ATOM 0 H LEU A 10 4.237 5.507 -8.944 1.00 1.30 H new ATOM 0 HA LEU A 10 3.086 5.607 -6.358 1.00 44.24 H new ATOM 0 HB2 LEU A 10 5.897 5.129 -7.407 1.00 13.34 H new ATOM 0 HB3 LEU A 10 5.509 5.051 -5.700 1.00 13.34 H new ATOM 0 HG LEU A 10 3.813 3.556 -7.681 1.00 72.41 H new ATOM 0 HD11 LEU A 10 5.249 1.542 -7.419 1.00 41.12 H new ATOM 0 HD12 LEU A 10 6.103 2.870 -8.239 1.00 41.12 H new ATOM 0 HD13 LEU A 10 6.435 2.523 -6.526 1.00 41.12 H new ATOM 0 HD21 LEU A 10 3.549 1.974 -5.765 1.00 41.10 H new ATOM 0 HD22 LEU A 10 4.656 2.983 -4.803 1.00 41.10 H new ATOM 0 HD23 LEU A 10 3.084 3.635 -5.326 1.00 41.10 H new ATOM 156 N TRP A 11 4.817 8.240 -7.159 1.00 1.34 N ATOM 157 CA TRP A 11 5.064 9.625 -6.781 1.00 12.11 C ATOM 158 C TRP A 11 3.778 10.380 -6.410 1.00 1.31 C ATOM 159 O TRP A 11 3.849 11.289 -5.580 1.00 45.20 O ATOM 160 CB TRP A 11 5.883 10.334 -7.872 1.00 51.42 C ATOM 161 CG TRP A 11 7.364 10.161 -7.721 1.00 41.15 C ATOM 162 CD1 TRP A 11 8.163 9.413 -8.514 1.00 24.35 C ATOM 163 CD2 TRP A 11 8.226 10.685 -6.666 1.00 20.20 C ATOM 164 NE1 TRP A 11 9.455 9.457 -8.035 1.00 72.45 N ATOM 165 CE2 TRP A 11 9.546 10.191 -6.873 1.00 22.42 C ATOM 166 CE3 TRP A 11 8.018 11.520 -5.546 1.00 20.30 C ATOM 167 CZ2 TRP A 11 10.593 10.465 -5.980 1.00 35.22 C ATOM 168 CZ3 TRP A 11 9.062 11.806 -4.645 1.00 3.34 C ATOM 169 CH2 TRP A 11 10.341 11.257 -4.847 1.00 71.24 C ATOM 0 H TRP A 11 5.078 8.029 -8.122 1.00 1.34 H new ATOM 0 HA TRP A 11 5.659 9.623 -5.868 1.00 12.11 H new ATOM 0 HB2 TRP A 11 5.579 9.953 -8.847 1.00 51.42 H new ATOM 0 HB3 TRP A 11 5.647 11.398 -7.857 1.00 51.42 H new ATOM 0 HD1 TRP A 11 7.840 8.866 -9.387 1.00 24.35 H new ATOM 0 HE1 TRP A 11 10.248 9.001 -8.487 1.00 72.45 H new ATOM 0 HE3 TRP A 11 7.040 11.947 -5.377 1.00 20.30 H new ATOM 0 HZ2 TRP A 11 11.582 10.071 -6.162 1.00 35.22 H new ATOM 0 HZ3 TRP A 11 8.880 12.449 -3.796 1.00 3.34 H new ATOM 0 HH2 TRP A 11 11.129 11.444 -4.132 1.00 71.24 H new ATOM 180 N ALA A 12 2.600 10.004 -6.922 1.00 0.41 N ATOM 181 CA ALA A 12 1.343 10.652 -6.543 1.00 2.42 C ATOM 182 C ALA A 12 1.018 10.470 -5.062 1.00 34.14 C ATOM 183 O ALA A 12 0.382 11.336 -4.451 1.00 4.43 O ATOM 184 CB ALA A 12 0.173 10.095 -7.357 1.00 23.44 C ATOM 0 H ALA A 12 2.493 9.251 -7.602 1.00 0.41 H new ATOM 0 HA ALA A 12 1.479 11.714 -6.748 1.00 2.42 H new ATOM 0 HB1 ALA A 12 -0.749 10.593 -7.056 1.00 23.44 H new ATOM 0 HB2 ALA A 12 0.351 10.271 -8.418 1.00 23.44 H new ATOM 0 HB3 ALA A 12 0.082 9.024 -7.177 1.00 23.44 H new ATOM 190 N ILE A 13 1.409 9.328 -4.494 1.00 11.54 N ATOM 191 CA ILE A 13 1.108 8.981 -3.115 1.00 64.11 C ATOM 192 C ILE A 13 1.937 9.910 -2.218 1.00 43.12 C ATOM 193 O ILE A 13 1.452 10.441 -1.216 1.00 5.14 O ATOM 194 CB ILE A 13 1.360 7.486 -2.873 1.00 23.24 C ATOM 195 CG1 ILE A 13 0.506 6.643 -3.848 1.00 23.54 C ATOM 196 CG2 ILE A 13 0.971 7.107 -1.437 1.00 22.04 C ATOM 197 CD1 ILE A 13 1.189 5.337 -4.179 1.00 20.23 C ATOM 0 H ILE A 13 1.948 8.616 -4.987 1.00 11.54 H new ATOM 0 HA ILE A 13 0.055 9.131 -2.876 1.00 64.11 H new ATOM 0 HB ILE A 13 2.420 7.288 -3.034 1.00 23.24 H new ATOM 0 HG12 ILE A 13 -0.469 6.445 -3.404 1.00 23.54 H new ATOM 0 HG13 ILE A 13 0.330 7.207 -4.764 1.00 23.54 H new ATOM 0 HG21 ILE A 13 1.155 6.044 -1.279 1.00 22.04 H new ATOM 0 HG22 ILE A 13 1.568 7.687 -0.733 1.00 22.04 H new ATOM 0 HG23 ILE A 13 -0.086 7.320 -1.278 1.00 22.04 H new ATOM 0 HD11 ILE A 13 0.566 4.765 -4.866 1.00 20.23 H new ATOM 0 HD12 ILE A 13 2.153 5.539 -4.645 1.00 20.23 H new ATOM 0 HD13 ILE A 13 1.341 4.764 -3.264 1.00 20.23 H new ATOM 209 N LEU A 14 3.206 10.118 -2.583 1.00 42.55 N ATOM 210 CA LEU A 14 4.159 11.004 -1.955 1.00 62.53 C ATOM 211 C LEU A 14 3.697 12.454 -1.994 1.00 73.32 C ATOM 212 O LEU A 14 3.438 13.004 -0.922 1.00 40.11 O ATOM 213 CB LEU A 14 5.520 10.774 -2.628 1.00 21.12 C ATOM 214 CG LEU A 14 6.233 9.483 -2.174 1.00 51.14 C ATOM 215 CD1 LEU A 14 5.386 8.372 -1.532 1.00 4.25 C ATOM 216 CD2 LEU A 14 7.051 8.873 -3.310 1.00 14.40 C ATOM 0 H LEU A 14 3.611 9.632 -3.383 1.00 42.55 H new ATOM 0 HA LEU A 14 4.250 10.780 -0.892 1.00 62.53 H new ATOM 0 HB2 LEU A 14 5.379 10.738 -3.708 1.00 21.12 H new ATOM 0 HB3 LEU A 14 6.166 11.627 -2.419 1.00 21.12 H new ATOM 0 HG LEU A 14 6.857 9.856 -1.362 1.00 51.14 H new ATOM 0 HD11 LEU A 14 6.028 7.532 -1.267 1.00 4.25 H new ATOM 0 HD12 LEU A 14 4.902 8.756 -0.634 1.00 4.25 H new ATOM 0 HD13 LEU A 14 4.626 8.039 -2.239 1.00 4.25 H new ATOM 0 HD21 LEU A 14 7.541 7.965 -2.959 1.00 14.40 H new ATOM 0 HD22 LEU A 14 6.392 8.630 -4.143 1.00 14.40 H new ATOM 0 HD23 LEU A 14 7.805 9.588 -3.640 1.00 14.40 H new ATOM 228 N LYS A 15 3.625 13.063 -3.185 1.00 2.10 N ATOM 229 CA LYS A 15 3.577 14.514 -3.376 1.00 53.24 C ATOM 230 C LYS A 15 2.361 15.120 -2.666 1.00 55.32 C ATOM 231 O LYS A 15 2.475 15.575 -1.528 1.00 70.51 O ATOM 232 CB LYS A 15 3.622 14.840 -4.886 1.00 22.32 C ATOM 233 CG LYS A 15 4.908 14.394 -5.610 1.00 12.32 C ATOM 234 CD LYS A 15 6.167 15.177 -5.220 1.00 0.41 C ATOM 235 CE LYS A 15 7.233 15.086 -6.325 1.00 60.35 C ATOM 236 NZ LYS A 15 6.949 16.015 -7.441 1.00 21.53 N ATOM 0 H LYS A 15 3.598 12.545 -4.063 1.00 2.10 H new ATOM 0 HA LYS A 15 4.452 14.974 -2.917 1.00 53.24 H new ATOM 0 HB2 LYS A 15 2.768 14.367 -5.370 1.00 22.32 H new ATOM 0 HB3 LYS A 15 3.505 15.916 -5.014 1.00 22.32 H new ATOM 0 HG2 LYS A 15 5.076 13.337 -5.405 1.00 12.32 H new ATOM 0 HG3 LYS A 15 4.755 14.490 -6.685 1.00 12.32 H new ATOM 0 HD2 LYS A 15 5.910 16.221 -5.042 1.00 0.41 H new ATOM 0 HD3 LYS A 15 6.570 14.784 -4.287 1.00 0.41 H new ATOM 0 HE2 LYS A 15 8.213 15.312 -5.904 1.00 60.35 H new ATOM 0 HE3 LYS A 15 7.277 14.065 -6.704 1.00 60.35 H new ATOM 0 HZ1 LYS A 15 7.448 15.694 -8.295 1.00 21.53 H new ATOM 0 HZ2 LYS A 15 5.926 16.034 -7.625 1.00 21.53 H new ATOM 0 HZ3 LYS A 15 7.273 16.970 -7.188 1.00 21.53 H new ATOM 250 N ASP A 16 1.204 15.119 -3.324 1.00 50.15 N ATOM 251 CA ASP A 16 -0.121 15.487 -2.831 1.00 63.35 C ATOM 252 C ASP A 16 -0.993 15.414 -4.086 1.00 15.24 C ATOM 253 O ASP A 16 -1.319 16.439 -4.693 1.00 21.14 O ATOM 254 CB ASP A 16 -0.174 16.882 -2.145 1.00 12.41 C ATOM 255 CG ASP A 16 -0.262 16.849 -0.611 1.00 51.32 C ATOM 256 OD1 ASP A 16 -0.771 15.871 -0.028 1.00 12.13 O ATOM 257 OD2 ASP A 16 0.184 17.801 0.074 1.00 73.02 O ATOM 0 H ASP A 16 1.167 14.835 -4.303 1.00 50.15 H new ATOM 0 HA ASP A 16 -0.458 14.823 -2.035 1.00 63.35 H new ATOM 0 HB2 ASP A 16 0.715 17.445 -2.431 1.00 12.41 H new ATOM 0 HB3 ASP A 16 -1.035 17.428 -2.532 1.00 12.41 H new ATOM 262 N GLU A 17 -1.262 14.205 -4.583 1.00 1.13 N ATOM 263 CA GLU A 17 -2.145 13.957 -5.700 1.00 61.45 C ATOM 264 C GLU A 17 -3.243 13.025 -5.185 1.00 12.23 C ATOM 265 O GLU A 17 -4.394 13.454 -5.083 1.00 50.41 O ATOM 266 CB GLU A 17 -1.278 13.401 -6.836 1.00 74.25 C ATOM 267 CG GLU A 17 -2.053 12.587 -7.865 1.00 23.33 C ATOM 268 CD GLU A 17 -3.203 13.338 -8.536 1.00 72.35 C ATOM 269 OE1 GLU A 17 -3.078 14.572 -8.737 1.00 71.44 O ATOM 270 OE2 GLU A 17 -4.221 12.681 -8.854 1.00 3.24 O ATOM 0 H GLU A 17 -0.854 13.352 -4.200 1.00 1.13 H new ATOM 0 HA GLU A 17 -2.648 14.835 -6.105 1.00 61.45 H new ATOM 0 HB2 GLU A 17 -0.784 14.231 -7.342 1.00 74.25 H new ATOM 0 HB3 GLU A 17 -0.494 12.776 -6.409 1.00 74.25 H new ATOM 0 HG2 GLU A 17 -1.361 12.246 -8.635 1.00 23.33 H new ATOM 0 HG3 GLU A 17 -2.452 11.697 -7.379 1.00 23.33 H new ATOM 277 N LEU A 18 -2.881 11.793 -4.799 1.00 25.50 N ATOM 278 CA LEU A 18 -3.837 10.848 -4.227 1.00 52.31 C ATOM 279 C LEU A 18 -4.286 11.344 -2.861 1.00 75.42 C ATOM 280 O LEU A 18 -3.634 12.187 -2.240 1.00 41.03 O ATOM 281 CB LEU A 18 -3.254 9.440 -4.113 1.00 73.24 C ATOM 282 CG LEU A 18 -3.422 8.645 -5.415 1.00 25.52 C ATOM 283 CD1 LEU A 18 -2.247 7.712 -5.548 1.00 33.52 C ATOM 284 CD2 LEU A 18 -4.714 7.833 -5.528 1.00 24.11 C ATOM 0 H LEU A 18 -1.930 11.432 -4.875 1.00 25.50 H new ATOM 0 HA LEU A 18 -4.693 10.788 -4.899 1.00 52.31 H new ATOM 0 HB2 LEU A 18 -2.196 9.504 -3.861 1.00 73.24 H new ATOM 0 HB3 LEU A 18 -3.744 8.909 -3.297 1.00 73.24 H new ATOM 0 HG LEU A 18 -3.475 9.383 -6.216 1.00 25.52 H new ATOM 0 HD11 LEU A 18 -2.343 7.135 -6.467 1.00 33.52 H new ATOM 0 HD12 LEU A 18 -1.324 8.291 -5.578 1.00 33.52 H new ATOM 0 HD13 LEU A 18 -2.222 7.034 -4.695 1.00 33.52 H new ATOM 0 HD21 LEU A 18 -4.733 7.310 -6.484 1.00 24.11 H new ATOM 0 HD22 LEU A 18 -4.760 7.107 -4.716 1.00 24.11 H new ATOM 0 HD23 LEU A 18 -5.571 8.503 -5.464 1.00 24.11 H new ATOM 296 N SER A 19 -5.342 10.736 -2.339 1.00 21.30 N ATOM 297 CA SER A 19 -6.086 11.270 -1.196 1.00 22.11 C ATOM 298 C SER A 19 -6.131 10.258 -0.047 1.00 62.51 C ATOM 299 O SER A 19 -5.361 9.297 -0.023 1.00 34.23 O ATOM 300 CB SER A 19 -7.463 11.750 -1.685 1.00 45.31 C ATOM 301 OG SER A 19 -8.153 12.551 -0.744 1.00 4.40 O ATOM 0 H SER A 19 -5.712 9.854 -2.695 1.00 21.30 H new ATOM 0 HA SER A 19 -5.579 12.137 -0.773 1.00 22.11 H new ATOM 0 HB2 SER A 19 -7.334 12.317 -2.607 1.00 45.31 H new ATOM 0 HB3 SER A 19 -8.075 10.882 -1.928 1.00 45.31 H new ATOM 0 HG SER A 19 -9.017 12.823 -1.117 1.00 4.40 H new ATOM 307 N ASP A 20 -6.984 10.475 0.953 1.00 40.40 N ATOM 308 CA ASP A 20 -7.225 9.498 2.010 1.00 12.14 C ATOM 309 C ASP A 20 -7.836 8.234 1.406 1.00 13.15 C ATOM 310 O ASP A 20 -7.118 7.250 1.220 1.00 54.23 O ATOM 311 CB ASP A 20 -8.012 10.066 3.204 1.00 55.40 C ATOM 312 CG ASP A 20 -9.257 10.869 2.847 1.00 74.13 C ATOM 313 OD1 ASP A 20 -10.330 10.286 2.567 1.00 0.20 O ATOM 314 OD2 ASP A 20 -9.146 12.112 2.832 1.00 20.42 O ATOM 0 H ASP A 20 -7.527 11.333 1.052 1.00 40.40 H new ATOM 0 HA ASP A 20 -6.266 9.226 2.451 1.00 12.14 H new ATOM 0 HB2 ASP A 20 -8.307 9.238 3.849 1.00 55.40 H new ATOM 0 HB3 ASP A 20 -7.345 10.702 3.787 1.00 55.40 H new ATOM 319 N ALA A 21 -9.109 8.273 1.010 1.00 5.54 N ATOM 320 CA ALA A 21 -9.792 7.139 0.404 1.00 13.40 C ATOM 321 C ALA A 21 -9.087 6.670 -0.869 1.00 13.25 C ATOM 322 O ALA A 21 -9.121 5.485 -1.194 1.00 4.40 O ATOM 323 CB ALA A 21 -11.232 7.543 0.077 1.00 61.42 C ATOM 0 H ALA A 21 -9.696 9.102 1.104 1.00 5.54 H new ATOM 0 HA ALA A 21 -9.780 6.311 1.113 1.00 13.40 H new ATOM 0 HB1 ALA A 21 -11.752 6.700 -0.378 1.00 61.42 H new ATOM 0 HB2 ALA A 21 -11.745 7.835 0.993 1.00 61.42 H new ATOM 0 HB3 ALA A 21 -11.225 8.383 -0.618 1.00 61.42 H new ATOM 329 N GLU A 22 -8.467 7.592 -1.606 1.00 4.30 N ATOM 330 CA GLU A 22 -7.990 7.304 -2.951 1.00 52.52 C ATOM 331 C GLU A 22 -6.584 6.702 -2.912 1.00 42.34 C ATOM 332 O GLU A 22 -6.360 5.681 -3.553 1.00 73.14 O ATOM 333 CB GLU A 22 -8.141 8.536 -3.859 1.00 40.42 C ATOM 334 CG GLU A 22 -9.587 9.081 -3.830 1.00 34.24 C ATOM 335 CD GLU A 22 -10.132 9.444 -5.211 1.00 30.43 C ATOM 336 OE1 GLU A 22 -10.516 8.500 -5.941 1.00 23.43 O ATOM 337 OE2 GLU A 22 -10.216 10.659 -5.496 1.00 11.24 O ATOM 0 H GLU A 22 -8.285 8.545 -1.290 1.00 4.30 H new ATOM 0 HA GLU A 22 -8.615 6.536 -3.406 1.00 52.52 H new ATOM 0 HB2 GLU A 22 -7.450 9.315 -3.537 1.00 40.42 H new ATOM 0 HB3 GLU A 22 -7.870 8.272 -4.881 1.00 40.42 H new ATOM 0 HG2 GLU A 22 -10.239 8.334 -3.376 1.00 34.24 H new ATOM 0 HG3 GLU A 22 -9.621 9.964 -3.192 1.00 34.24 H new ATOM 344 N ALA A 23 -5.645 7.230 -2.107 1.00 45.53 N ATOM 345 CA ALA A 23 -4.328 6.590 -2.004 1.00 71.32 C ATOM 346 C ALA A 23 -4.485 5.188 -1.385 1.00 11.34 C ATOM 347 O ALA A 23 -3.758 4.265 -1.747 1.00 72.03 O ATOM 348 CB ALA A 23 -3.354 7.378 -1.120 1.00 65.42 C ATOM 0 H ALA A 23 -5.768 8.068 -1.538 1.00 45.53 H new ATOM 0 HA ALA A 23 -3.923 6.546 -3.015 1.00 71.32 H new ATOM 0 HB1 ALA A 23 -2.397 6.858 -1.080 1.00 65.42 H new ATOM 0 HB2 ALA A 23 -3.209 8.374 -1.537 1.00 65.42 H new ATOM 0 HB3 ALA A 23 -3.763 7.462 -0.113 1.00 65.42 H new ATOM 354 N ASN A 24 -5.427 5.044 -0.434 1.00 54.11 N ATOM 355 CA ASN A 24 -5.753 3.770 0.208 1.00 62.35 C ATOM 356 C ASN A 24 -6.196 2.767 -0.859 1.00 15.04 C ATOM 357 O ASN A 24 -5.789 1.606 -0.809 1.00 1.33 O ATOM 358 CB ASN A 24 -6.879 3.919 1.257 1.00 42.14 C ATOM 359 CG ASN A 24 -6.492 4.467 2.635 1.00 53.43 C ATOM 360 OD1 ASN A 24 -5.426 5.050 2.849 1.00 5.05 O ATOM 361 ND2 ASN A 24 -7.369 4.281 3.612 1.00 64.52 N ATOM 0 H ASN A 24 -5.987 5.824 -0.090 1.00 54.11 H new ATOM 0 HA ASN A 24 -4.858 3.420 0.723 1.00 62.35 H new ATOM 0 HB2 ASN A 24 -7.645 4.572 0.838 1.00 42.14 H new ATOM 0 HB3 ASN A 24 -7.337 2.940 1.400 1.00 42.14 H new ATOM 0 HD21 ASN A 24 -7.165 4.621 4.552 1.00 64.52 H new ATOM 0 HD22 ASN A 24 -8.247 3.798 3.424 1.00 64.52 H new ATOM 368 N ALA A 25 -7.018 3.211 -1.817 1.00 2.31 N ATOM 369 CA ALA A 25 -7.638 2.350 -2.808 1.00 53.34 C ATOM 370 C ALA A 25 -6.623 1.562 -3.625 1.00 43.41 C ATOM 371 O ALA A 25 -6.869 0.385 -3.861 1.00 75.32 O ATOM 372 CB ALA A 25 -8.529 3.155 -3.747 1.00 55.11 C ATOM 0 H ALA A 25 -7.269 4.194 -1.920 1.00 2.31 H new ATOM 0 HA ALA A 25 -8.242 1.634 -2.251 1.00 53.34 H new ATOM 0 HB1 ALA A 25 -8.982 2.488 -4.480 1.00 55.11 H new ATOM 0 HB2 ALA A 25 -9.313 3.648 -3.172 1.00 55.11 H new ATOM 0 HB3 ALA A 25 -7.930 3.906 -4.262 1.00 55.11 H new ATOM 378 N LEU A 26 -5.484 2.151 -4.022 1.00 34.14 N ATOM 379 CA LEU A 26 -4.455 1.429 -4.771 1.00 35.11 C ATOM 380 C LEU A 26 -3.972 0.194 -4.008 1.00 61.23 C ATOM 381 O LEU A 26 -3.741 -0.855 -4.609 1.00 20.11 O ATOM 382 CB LEU A 26 -3.237 2.331 -4.996 1.00 54.24 C ATOM 383 CG LEU A 26 -3.326 3.361 -6.128 1.00 32.14 C ATOM 384 CD1 LEU A 26 -2.024 4.168 -6.111 1.00 20.45 C ATOM 385 CD2 LEU A 26 -3.468 2.665 -7.489 1.00 54.41 C ATOM 0 H LEU A 26 -5.256 3.127 -3.834 1.00 34.14 H new ATOM 0 HA LEU A 26 -4.902 1.128 -5.718 1.00 35.11 H new ATOM 0 HB2 LEU A 26 -3.037 2.866 -4.068 1.00 54.24 H new ATOM 0 HB3 LEU A 26 -2.375 1.692 -5.188 1.00 54.24 H new ATOM 0 HG LEU A 26 -4.197 4.000 -5.982 1.00 32.14 H new ATOM 0 HD11 LEU A 26 -2.048 4.914 -6.905 1.00 20.45 H new ATOM 0 HD12 LEU A 26 -1.917 4.666 -5.147 1.00 20.45 H new ATOM 0 HD13 LEU A 26 -1.179 3.498 -6.269 1.00 20.45 H new ATOM 0 HD21 LEU A 26 -3.529 3.416 -8.277 1.00 54.41 H new ATOM 0 HD22 LEU A 26 -2.602 2.026 -7.663 1.00 54.41 H new ATOM 0 HD23 LEU A 26 -4.374 2.058 -7.495 1.00 54.41 H new ATOM 397 N VAL A 27 -3.807 0.296 -2.689 1.00 55.23 N ATOM 398 CA VAL A 27 -3.417 -0.845 -1.874 1.00 43.14 C ATOM 399 C VAL A 27 -4.549 -1.875 -1.917 1.00 31.22 C ATOM 400 O VAL A 27 -4.312 -3.059 -2.163 1.00 13.23 O ATOM 401 CB VAL A 27 -3.101 -0.405 -0.431 1.00 24.14 C ATOM 402 CG1 VAL A 27 -2.399 -1.549 0.314 1.00 55.11 C ATOM 403 CG2 VAL A 27 -2.195 0.831 -0.337 1.00 20.31 C ATOM 0 H VAL A 27 -3.939 1.161 -2.165 1.00 55.23 H new ATOM 0 HA VAL A 27 -2.506 -1.295 -2.269 1.00 43.14 H new ATOM 0 HB VAL A 27 -4.062 -0.147 0.014 1.00 24.14 H new ATOM 0 HG11 VAL A 27 -2.176 -1.236 1.334 1.00 55.11 H new ATOM 0 HG12 VAL A 27 -3.051 -2.423 0.336 1.00 55.11 H new ATOM 0 HG13 VAL A 27 -1.471 -1.802 -0.199 1.00 55.11 H new ATOM 0 HG21 VAL A 27 -2.021 1.075 0.711 1.00 20.31 H new ATOM 0 HG22 VAL A 27 -1.243 0.622 -0.824 1.00 20.31 H new ATOM 0 HG23 VAL A 27 -2.678 1.674 -0.831 1.00 20.31 H new ATOM 413 N TRP A 28 -5.785 -1.423 -1.695 1.00 54.44 N ATOM 414 CA TRP A 28 -6.962 -2.272 -1.618 1.00 4.33 C ATOM 415 C TRP A 28 -7.196 -3.047 -2.920 1.00 62.33 C ATOM 416 O TRP A 28 -7.547 -4.233 -2.860 1.00 4.23 O ATOM 417 CB TRP A 28 -8.177 -1.412 -1.237 1.00 24.44 C ATOM 418 CG TRP A 28 -8.138 -0.666 0.069 1.00 41.45 C ATOM 419 CD1 TRP A 28 -7.219 -0.791 1.055 1.00 3.24 C ATOM 420 CD2 TRP A 28 -9.122 0.289 0.571 1.00 40.32 C ATOM 421 NE1 TRP A 28 -7.561 0.019 2.118 1.00 3.41 N ATOM 422 CE2 TRP A 28 -8.737 0.691 1.883 1.00 75.53 C ATOM 423 CE3 TRP A 28 -10.336 0.809 0.074 1.00 50.53 C ATOM 424 CZ2 TRP A 28 -9.527 1.535 2.676 1.00 1.30 C ATOM 425 CZ3 TRP A 28 -11.135 1.668 0.855 1.00 45.44 C ATOM 426 CH2 TRP A 28 -10.737 2.025 2.157 1.00 52.23 C ATOM 0 H TRP A 28 -5.994 -0.433 -1.562 1.00 54.44 H new ATOM 0 HA TRP A 28 -6.805 -3.025 -0.846 1.00 4.33 H new ATOM 0 HB2 TRP A 28 -8.332 -0.683 -2.032 1.00 24.44 H new ATOM 0 HB3 TRP A 28 -9.053 -2.060 -1.224 1.00 24.44 H new ATOM 0 HD1 TRP A 28 -6.349 -1.429 1.015 1.00 3.24 H new ATOM 0 HE1 TRP A 28 -7.010 0.108 2.972 1.00 3.41 H new ATOM 0 HE3 TRP A 28 -10.658 0.544 -0.922 1.00 50.53 H new ATOM 0 HZ2 TRP A 28 -9.210 1.805 3.672 1.00 1.30 H new ATOM 0 HZ3 TRP A 28 -12.059 2.055 0.452 1.00 45.44 H new ATOM 0 HH2 TRP A 28 -11.360 2.674 2.755 1.00 52.23 H new ATOM 437 N GLN A 29 -7.011 -2.414 -4.084 1.00 33.04 N ATOM 438 CA GLN A 29 -7.095 -3.078 -5.380 1.00 32.24 C ATOM 439 C GLN A 29 -5.959 -4.079 -5.531 1.00 11.41 C ATOM 440 O GLN A 29 -6.233 -5.229 -5.858 1.00 23.51 O ATOM 441 CB GLN A 29 -7.157 -2.078 -6.552 1.00 1.14 C ATOM 442 CG GLN A 29 -5.993 -1.121 -6.742 1.00 72.11 C ATOM 443 CD GLN A 29 -6.200 -0.138 -7.893 1.00 31.41 C ATOM 444 OE1 GLN A 29 -5.530 -0.175 -8.925 1.00 60.50 O ATOM 445 NE2 GLN A 29 -7.125 0.779 -7.707 1.00 21.20 N ATOM 0 H GLN A 29 -6.797 -1.419 -4.148 1.00 33.04 H new ATOM 0 HA GLN A 29 -8.036 -3.627 -5.416 1.00 32.24 H new ATOM 0 HB2 GLN A 29 -7.271 -2.651 -7.472 1.00 1.14 H new ATOM 0 HB3 GLN A 29 -8.062 -1.482 -6.434 1.00 1.14 H new ATOM 0 HG2 GLN A 29 -5.837 -0.562 -5.819 1.00 72.11 H new ATOM 0 HG3 GLN A 29 -5.085 -1.696 -6.923 1.00 72.11 H new ATOM 0 HE21 GLN A 29 -7.667 0.789 -6.843 1.00 21.20 H new ATOM 0 HE22 GLN A 29 -7.300 1.480 -8.427 1.00 21.20 H new ATOM 454 N ALA A 30 -4.710 -3.669 -5.277 1.00 71.14 N ATOM 455 CA ALA A 30 -3.548 -4.516 -5.512 1.00 15.04 C ATOM 456 C ALA A 30 -3.638 -5.792 -4.683 1.00 63.41 C ATOM 457 O ALA A 30 -3.289 -6.858 -5.188 1.00 43.21 O ATOM 458 CB ALA A 30 -2.263 -3.743 -5.212 1.00 42.23 C ATOM 0 H ALA A 30 -4.484 -2.746 -4.906 1.00 71.14 H new ATOM 0 HA ALA A 30 -3.529 -4.807 -6.562 1.00 15.04 H new ATOM 0 HB1 ALA A 30 -1.401 -4.386 -5.391 1.00 42.23 H new ATOM 0 HB2 ALA A 30 -2.204 -2.869 -5.860 1.00 42.23 H new ATOM 0 HB3 ALA A 30 -2.266 -3.422 -4.170 1.00 42.23 H new ATOM 464 N LEU A 31 -4.122 -5.696 -3.440 1.00 51.31 N ATOM 465 CA LEU A 31 -4.352 -6.839 -2.566 1.00 0.05 C ATOM 466 C LEU A 31 -5.274 -7.859 -3.218 1.00 45.23 C ATOM 467 O LEU A 31 -4.969 -9.049 -3.194 1.00 50.03 O ATOM 468 CB LEU A 31 -4.957 -6.390 -1.230 1.00 43.13 C ATOM 469 CG LEU A 31 -3.924 -5.822 -0.246 1.00 41.22 C ATOM 470 CD1 LEU A 31 -4.657 -5.189 0.944 1.00 32.43 C ATOM 471 CD2 LEU A 31 -2.980 -6.930 0.245 1.00 52.11 C ATOM 0 H LEU A 31 -4.367 -4.804 -3.011 1.00 51.31 H new ATOM 0 HA LEU A 31 -3.384 -7.306 -2.385 1.00 0.05 H new ATOM 0 HB2 LEU A 31 -5.718 -5.633 -1.422 1.00 43.13 H new ATOM 0 HB3 LEU A 31 -5.460 -7.238 -0.766 1.00 43.13 H new ATOM 0 HG LEU A 31 -3.326 -5.065 -0.753 1.00 41.22 H new ATOM 0 HD11 LEU A 31 -3.929 -4.784 1.646 1.00 32.43 H new ATOM 0 HD12 LEU A 31 -5.303 -4.387 0.588 1.00 32.43 H new ATOM 0 HD13 LEU A 31 -5.261 -5.946 1.444 1.00 32.43 H new ATOM 0 HD21 LEU A 31 -2.255 -6.508 0.941 1.00 52.11 H new ATOM 0 HD22 LEU A 31 -3.559 -7.704 0.748 1.00 52.11 H new ATOM 0 HD23 LEU A 31 -2.455 -7.365 -0.606 1.00 52.11 H new ATOM 483 N GLY A 32 -6.389 -7.404 -3.793 1.00 1.43 N ATOM 484 CA GLY A 32 -7.329 -8.243 -4.522 1.00 31.20 C ATOM 485 C GLY A 32 -8.673 -8.425 -3.840 1.00 11.13 C ATOM 486 O GLY A 32 -9.418 -9.310 -4.245 1.00 44.30 O ATOM 0 H GLY A 32 -6.665 -6.422 -3.762 1.00 1.43 H new ATOM 0 HA2 GLY A 32 -7.493 -7.810 -5.509 1.00 31.20 H new ATOM 0 HA3 GLY A 32 -6.878 -9.223 -4.675 1.00 31.20 H new ATOM 490 N TYR A 33 -8.991 -7.647 -2.802 1.00 72.05 N ATOM 491 CA TYR A 33 -10.300 -7.735 -2.163 1.00 14.33 C ATOM 492 C TYR A 33 -11.389 -7.461 -3.191 1.00 3.25 C ATOM 493 O TYR A 33 -12.174 -8.354 -3.440 1.00 52.01 O ATOM 494 CB TYR A 33 -10.377 -6.828 -0.939 1.00 1.11 C ATOM 495 CG TYR A 33 -9.590 -7.376 0.232 1.00 53.22 C ATOM 496 CD1 TYR A 33 -8.226 -7.063 0.368 1.00 34.34 C ATOM 497 CD2 TYR A 33 -10.216 -8.224 1.165 1.00 23.04 C ATOM 498 CE1 TYR A 33 -7.490 -7.595 1.437 1.00 34.34 C ATOM 499 CE2 TYR A 33 -9.494 -8.734 2.260 1.00 31.23 C ATOM 500 CZ TYR A 33 -8.125 -8.408 2.398 1.00 62.51 C ATOM 501 OH TYR A 33 -7.394 -8.847 3.453 1.00 0.14 O ATOM 0 H TYR A 33 -8.364 -6.956 -2.391 1.00 72.05 H new ATOM 0 HA TYR A 33 -10.459 -8.746 -1.787 1.00 14.33 H new ATOM 0 HB2 TYR A 33 -9.998 -5.839 -1.198 1.00 1.11 H new ATOM 0 HB3 TYR A 33 -11.420 -6.703 -0.647 1.00 1.11 H new ATOM 0 HD1 TYR A 33 -7.746 -6.414 -0.349 1.00 34.34 H new ATOM 0 HD2 TYR A 33 -11.257 -8.485 1.040 1.00 23.04 H new ATOM 0 HE1 TYR A 33 -6.435 -7.381 1.524 1.00 34.34 H new ATOM 0 HE2 TYR A 33 -9.980 -9.368 2.987 1.00 31.23 H new ATOM 0 HH TYR A 33 -7.530 -8.249 4.217 1.00 0.14 H new ATOM 511 N VAL A 34 -11.360 -6.299 -3.844 1.00 42.44 N ATOM 512 CA VAL A 34 -12.359 -5.708 -4.719 1.00 31.41 C ATOM 513 C VAL A 34 -13.744 -5.611 -4.053 1.00 62.42 C ATOM 514 O VAL A 34 -14.330 -6.598 -3.620 1.00 43.20 O ATOM 515 CB VAL A 34 -12.287 -6.281 -6.158 1.00 5.44 C ATOM 516 CG1 VAL A 34 -12.267 -7.799 -6.366 1.00 71.34 C ATOM 517 CG2 VAL A 34 -13.449 -5.731 -6.971 1.00 21.53 C ATOM 0 H VAL A 34 -10.547 -5.688 -3.760 1.00 42.44 H new ATOM 0 HA VAL A 34 -12.115 -4.657 -4.876 1.00 31.41 H new ATOM 0 HB VAL A 34 -11.296 -5.959 -6.478 1.00 5.44 H new ATOM 0 HG11 VAL A 34 -12.215 -8.019 -7.432 1.00 71.34 H new ATOM 0 HG12 VAL A 34 -11.397 -8.223 -5.865 1.00 71.34 H new ATOM 0 HG13 VAL A 34 -13.175 -8.235 -5.949 1.00 71.34 H new ATOM 0 HG21 VAL A 34 -13.405 -6.130 -7.984 1.00 21.53 H new ATOM 0 HG22 VAL A 34 -14.390 -6.025 -6.506 1.00 21.53 H new ATOM 0 HG23 VAL A 34 -13.386 -4.643 -7.006 1.00 21.53 H new ATOM 527 N TRP A 35 -14.284 -4.394 -3.936 1.00 71.54 N ATOM 528 CA TRP A 35 -15.676 -4.219 -3.544 1.00 13.11 C ATOM 529 C TRP A 35 -16.572 -4.791 -4.643 1.00 10.00 C ATOM 530 O TRP A 35 -16.642 -4.230 -5.743 1.00 61.11 O ATOM 531 CB TRP A 35 -16.012 -2.749 -3.288 1.00 33.14 C ATOM 532 CG TRP A 35 -17.476 -2.515 -3.108 1.00 61.32 C ATOM 533 CD1 TRP A 35 -18.329 -2.183 -4.096 1.00 53.31 C ATOM 534 CD2 TRP A 35 -18.307 -2.762 -1.940 1.00 32.02 C ATOM 535 NE1 TRP A 35 -19.608 -2.085 -3.600 1.00 42.24 N ATOM 536 CE2 TRP A 35 -19.660 -2.458 -2.274 1.00 73.44 C ATOM 537 CE3 TRP A 35 -18.051 -3.241 -0.640 1.00 51.13 C ATOM 538 CZ2 TRP A 35 -20.702 -2.584 -1.345 1.00 52.15 C ATOM 539 CZ3 TRP A 35 -19.089 -3.394 0.294 1.00 52.51 C ATOM 540 CH2 TRP A 35 -20.408 -3.054 -0.054 1.00 54.55 C ATOM 0 H TRP A 35 -13.779 -3.525 -4.107 1.00 71.54 H new ATOM 0 HA TRP A 35 -15.847 -4.751 -2.608 1.00 13.11 H new ATOM 0 HB2 TRP A 35 -15.482 -2.409 -2.398 1.00 33.14 H new ATOM 0 HB3 TRP A 35 -15.652 -2.148 -4.123 1.00 33.14 H new ATOM 0 HD1 TRP A 35 -18.050 -2.018 -5.126 1.00 53.31 H new ATOM 0 HE1 TRP A 35 -20.414 -1.776 -4.143 1.00 42.24 H new ATOM 0 HE3 TRP A 35 -17.040 -3.495 -0.357 1.00 51.13 H new ATOM 0 HZ2 TRP A 35 -21.714 -2.324 -1.617 1.00 52.15 H new ATOM 0 HZ3 TRP A 35 -18.873 -3.774 1.282 1.00 52.51 H new ATOM 0 HH2 TRP A 35 -21.199 -3.155 0.674 1.00 54.55 H new ATOM 551 N ASP A 36 -17.249 -5.897 -4.358 1.00 11.14 N ATOM 552 CA ASP A 36 -18.267 -6.454 -5.226 1.00 42.25 C ATOM 553 C ASP A 36 -19.586 -5.744 -5.017 1.00 13.50 C ATOM 554 O ASP A 36 -20.355 -6.063 -4.115 1.00 42.44 O ATOM 555 CB ASP A 36 -18.441 -7.953 -5.002 1.00 1.11 C ATOM 556 CG ASP A 36 -18.762 -8.652 -6.316 1.00 71.25 C ATOM 557 OD1 ASP A 36 -18.016 -8.428 -7.295 1.00 53.21 O ATOM 558 OD2 ASP A 36 -19.724 -9.449 -6.340 1.00 63.11 O ATOM 0 H ASP A 36 -17.101 -6.436 -3.505 1.00 11.14 H new ATOM 0 HA ASP A 36 -17.937 -6.304 -6.254 1.00 42.25 H new ATOM 0 HB2 ASP A 36 -17.530 -8.371 -4.573 1.00 1.11 H new ATOM 0 HB3 ASP A 36 -19.242 -8.129 -4.284 1.00 1.11 H new ATOM 563 N GLU A 37 -19.873 -4.784 -5.878 1.00 54.21 N ATOM 564 CA GLU A 37 -21.144 -4.081 -5.906 1.00 24.30 C ATOM 565 C GLU A 37 -22.309 -5.030 -6.229 1.00 3.23 C ATOM 566 O GLU A 37 -23.443 -4.785 -5.816 1.00 1.04 O ATOM 567 CB GLU A 37 -20.962 -2.971 -6.938 1.00 0.43 C ATOM 568 CG GLU A 37 -22.176 -2.060 -7.111 1.00 43.43 C ATOM 569 CD GLU A 37 -21.905 -0.903 -8.077 1.00 4.30 C ATOM 570 OE1 GLU A 37 -20.730 -0.673 -8.463 1.00 33.23 O ATOM 571 OE2 GLU A 37 -22.877 -0.219 -8.466 1.00 75.32 O ATOM 0 H GLU A 37 -19.217 -4.465 -6.591 1.00 54.21 H new ATOM 0 HA GLU A 37 -21.408 -3.662 -4.935 1.00 24.30 H new ATOM 0 HB2 GLU A 37 -20.105 -2.362 -6.650 1.00 0.43 H new ATOM 0 HB3 GLU A 37 -20.723 -3.423 -7.901 1.00 0.43 H new ATOM 0 HG2 GLU A 37 -23.018 -2.647 -7.478 1.00 43.43 H new ATOM 0 HG3 GLU A 37 -22.467 -1.659 -6.140 1.00 43.43 H new ATOM 578 N ALA A 38 -22.039 -6.144 -6.916 1.00 70.10 N ATOM 579 CA ALA A 38 -23.033 -7.153 -7.255 1.00 25.21 C ATOM 580 C ALA A 38 -23.514 -7.873 -5.995 1.00 53.55 C ATOM 581 O ALA A 38 -24.719 -8.078 -5.850 1.00 1.43 O ATOM 582 CB ALA A 38 -22.468 -8.144 -8.278 1.00 2.22 C ATOM 0 H ALA A 38 -21.104 -6.369 -7.256 1.00 70.10 H new ATOM 0 HA ALA A 38 -23.892 -6.658 -7.709 1.00 25.21 H new ATOM 0 HB1 ALA A 38 -23.225 -8.890 -8.519 1.00 2.22 H new ATOM 0 HB2 ALA A 38 -22.185 -7.609 -9.185 1.00 2.22 H new ATOM 0 HB3 ALA A 38 -21.591 -8.639 -7.860 1.00 2.22 H new ATOM 588 N GLN A 39 -22.617 -8.191 -5.057 1.00 14.10 N ATOM 589 CA GLN A 39 -22.972 -8.849 -3.798 1.00 62.44 C ATOM 590 C GLN A 39 -23.042 -7.848 -2.636 1.00 25.33 C ATOM 591 O GLN A 39 -23.312 -8.245 -1.503 1.00 71.03 O ATOM 592 CB GLN A 39 -22.020 -10.035 -3.518 1.00 53.21 C ATOM 593 CG GLN A 39 -22.210 -11.140 -4.565 1.00 63.52 C ATOM 594 CD GLN A 39 -21.455 -12.449 -4.288 1.00 0.22 C ATOM 595 OE1 GLN A 39 -21.360 -12.934 -3.159 1.00 62.11 O ATOM 596 NE2 GLN A 39 -20.933 -13.091 -5.318 1.00 73.13 N ATOM 0 H GLN A 39 -21.620 -7.998 -5.151 1.00 14.10 H new ATOM 0 HA GLN A 39 -23.976 -9.262 -3.895 1.00 62.44 H new ATOM 0 HB2 GLN A 39 -20.986 -9.689 -3.530 1.00 53.21 H new ATOM 0 HB3 GLN A 39 -22.211 -10.434 -2.522 1.00 53.21 H new ATOM 0 HG2 GLN A 39 -23.274 -11.364 -4.643 1.00 63.52 H new ATOM 0 HG3 GLN A 39 -21.893 -10.756 -5.535 1.00 63.52 H new ATOM 0 HE21 GLN A 39 -21.007 -12.697 -6.256 1.00 73.13 H new ATOM 0 HE22 GLN A 39 -20.456 -13.981 -5.175 1.00 73.13 H new ATOM 605 N SER A 40 -22.793 -6.561 -2.893 1.00 61.05 N ATOM 606 CA SER A 40 -22.615 -5.496 -1.921 1.00 32.02 C ATOM 607 C SER A 40 -21.708 -5.924 -0.765 1.00 73.51 C ATOM 608 O SER A 40 -21.994 -5.641 0.399 1.00 44.55 O ATOM 609 CB SER A 40 -23.966 -4.941 -1.477 1.00 63.40 C ATOM 610 OG SER A 40 -24.653 -4.397 -2.585 1.00 55.21 O ATOM 0 H SER A 40 -22.706 -6.220 -3.850 1.00 61.05 H new ATOM 0 HA SER A 40 -22.088 -4.671 -2.400 1.00 32.02 H new ATOM 0 HB2 SER A 40 -24.562 -5.732 -1.022 1.00 63.40 H new ATOM 0 HB3 SER A 40 -23.821 -4.174 -0.716 1.00 63.40 H new ATOM 0 HG SER A 40 -25.519 -4.045 -2.292 1.00 55.21 H new ATOM 616 N CYS A 41 -20.629 -6.642 -1.075 1.00 65.44 N ATOM 617 CA CYS A 41 -19.640 -7.066 -0.098 1.00 35.23 C ATOM 618 C CYS A 41 -18.259 -6.969 -0.726 1.00 71.43 C ATOM 619 O CYS A 41 -18.107 -7.119 -1.939 1.00 11.40 O ATOM 620 CB CYS A 41 -19.894 -8.528 0.294 1.00 21.45 C ATOM 621 SG CYS A 41 -21.489 -8.800 1.115 1.00 10.45 S ATOM 0 H CYS A 41 -20.419 -6.947 -2.025 1.00 65.44 H new ATOM 0 HA CYS A 41 -19.706 -6.431 0.785 1.00 35.23 H new ATOM 0 HB2 CYS A 41 -19.847 -9.148 -0.601 1.00 21.45 H new ATOM 0 HB3 CYS A 41 -19.094 -8.861 0.955 1.00 21.45 H new ATOM 0 HG CYS A 41 -22.452 -8.633 0.258 1.00 10.45 H new ATOM 627 N TRP A 42 -17.227 -6.868 0.101 1.00 40.34 N ATOM 628 CA TRP A 42 -15.851 -7.070 -0.326 1.00 13.43 C ATOM 629 C TRP A 42 -15.732 -8.509 -0.818 1.00 64.33 C ATOM 630 O TRP A 42 -16.146 -9.441 -0.121 1.00 11.04 O ATOM 631 CB TRP A 42 -14.907 -6.749 0.840 1.00 2.25 C ATOM 632 CG TRP A 42 -15.021 -5.325 1.291 1.00 11.12 C ATOM 633 CD1 TRP A 42 -15.734 -4.875 2.350 1.00 35.44 C ATOM 634 CD2 TRP A 42 -14.499 -4.138 0.631 1.00 50.23 C ATOM 635 NE1 TRP A 42 -15.732 -3.494 2.359 1.00 32.23 N ATOM 636 CE2 TRP A 42 -14.987 -2.987 1.314 1.00 34.42 C ATOM 637 CE3 TRP A 42 -13.689 -3.924 -0.504 1.00 32.01 C ATOM 638 CZ2 TRP A 42 -14.683 -1.690 0.884 1.00 30.21 C ATOM 639 CZ3 TRP A 42 -13.357 -2.622 -0.927 1.00 74.32 C ATOM 640 CH2 TRP A 42 -13.857 -1.504 -0.236 1.00 61.22 C ATOM 0 H TRP A 42 -17.322 -6.643 1.091 1.00 40.34 H new ATOM 0 HA TRP A 42 -15.569 -6.405 -1.142 1.00 13.43 H new ATOM 0 HB2 TRP A 42 -15.129 -7.411 1.677 1.00 2.25 H new ATOM 0 HB3 TRP A 42 -13.879 -6.951 0.538 1.00 2.25 H new ATOM 0 HD1 TRP A 42 -16.229 -5.501 3.078 1.00 35.44 H new ATOM 0 HE1 TRP A 42 -16.219 -2.922 3.049 1.00 32.23 H new ATOM 0 HE3 TRP A 42 -13.317 -4.773 -1.058 1.00 32.01 H new ATOM 0 HZ2 TRP A 42 -15.082 -0.836 1.411 1.00 30.21 H new ATOM 0 HZ3 TRP A 42 -12.716 -2.482 -1.785 1.00 74.32 H new ATOM 0 HH2 TRP A 42 -13.607 -0.506 -0.565 1.00 61.22 H new ATOM 651 N LYS A 43 -15.236 -8.727 -2.036 1.00 31.12 N ATOM 652 CA LYS A 43 -14.791 -10.052 -2.433 1.00 43.23 C ATOM 653 C LYS A 43 -13.587 -10.414 -1.563 1.00 55.43 C ATOM 654 O LYS A 43 -12.942 -9.565 -0.940 1.00 55.41 O ATOM 655 CB LYS A 43 -14.423 -10.094 -3.923 1.00 72.52 C ATOM 656 CG LYS A 43 -15.562 -10.599 -4.789 1.00 55.10 C ATOM 657 CD LYS A 43 -15.083 -11.130 -6.147 1.00 0.42 C ATOM 658 CE LYS A 43 -15.715 -10.258 -7.215 1.00 31.21 C ATOM 659 NZ LYS A 43 -15.416 -10.716 -8.587 1.00 24.32 N ATOM 0 H LYS A 43 -15.135 -8.009 -2.753 1.00 31.12 H new ATOM 0 HA LYS A 43 -15.595 -10.774 -2.290 1.00 43.23 H new ATOM 0 HB2 LYS A 43 -14.137 -9.095 -4.251 1.00 72.52 H new ATOM 0 HB3 LYS A 43 -13.553 -10.736 -4.061 1.00 72.52 H new ATOM 0 HG2 LYS A 43 -16.092 -11.391 -4.260 1.00 55.10 H new ATOM 0 HG3 LYS A 43 -16.276 -9.791 -4.951 1.00 55.10 H new ATOM 0 HD2 LYS A 43 -13.996 -11.093 -6.213 1.00 0.42 H new ATOM 0 HD3 LYS A 43 -15.375 -12.172 -6.278 1.00 0.42 H new ATOM 0 HE2 LYS A 43 -16.795 -10.242 -7.071 1.00 31.21 H new ATOM 0 HE3 LYS A 43 -15.362 -9.234 -7.095 1.00 31.21 H new ATOM 0 HZ1 LYS A 43 -15.874 -10.082 -9.272 1.00 24.32 H new ATOM 0 HZ2 LYS A 43 -14.387 -10.706 -8.740 1.00 24.32 H new ATOM 0 HZ3 LYS A 43 -15.776 -11.683 -8.716 1.00 24.32 H new ATOM 673 N THR A 44 -13.236 -11.689 -1.576 1.00 35.42 N ATOM 674 CA THR A 44 -11.921 -12.157 -1.180 1.00 43.01 C ATOM 675 C THR A 44 -11.403 -13.138 -2.251 1.00 44.43 C ATOM 676 O THR A 44 -10.403 -13.818 -2.058 1.00 73.43 O ATOM 677 CB THR A 44 -12.003 -12.709 0.264 1.00 5.13 C ATOM 678 OG1 THR A 44 -12.955 -13.742 0.433 1.00 4.51 O ATOM 679 CG2 THR A 44 -12.296 -11.631 1.309 1.00 34.01 C ATOM 0 H THR A 44 -13.866 -12.437 -1.866 1.00 35.42 H new ATOM 0 HA THR A 44 -11.179 -11.359 -1.139 1.00 43.01 H new ATOM 0 HB THR A 44 -11.005 -13.116 0.424 1.00 5.13 H new ATOM 0 HG1 THR A 44 -12.950 -14.042 1.366 1.00 4.51 H new ATOM 0 HG21 THR A 44 -12.340 -12.086 2.299 1.00 34.01 H new ATOM 0 HG22 THR A 44 -11.505 -10.881 1.289 1.00 34.01 H new ATOM 0 HG23 THR A 44 -13.252 -11.157 1.085 1.00 34.01 H new ATOM 687 N ASP A 45 -12.042 -13.201 -3.423 1.00 45.44 N ATOM 688 CA ASP A 45 -11.770 -14.186 -4.459 1.00 74.22 C ATOM 689 C ASP A 45 -10.440 -13.892 -5.134 1.00 44.31 C ATOM 690 O ASP A 45 -9.744 -14.810 -5.567 1.00 43.31 O ATOM 691 CB ASP A 45 -12.838 -14.095 -5.550 1.00 22.43 C ATOM 692 CG ASP A 45 -14.223 -14.566 -5.145 1.00 63.03 C ATOM 693 OD1 ASP A 45 -14.885 -13.847 -4.363 1.00 41.01 O ATOM 694 OD2 ASP A 45 -14.674 -15.606 -5.670 1.00 75.44 O ATOM 0 H ASP A 45 -12.782 -12.547 -3.678 1.00 45.44 H new ATOM 0 HA ASP A 45 -11.759 -15.169 -3.988 1.00 74.22 H new ATOM 0 HB2 ASP A 45 -12.907 -13.059 -5.882 1.00 22.43 H new ATOM 0 HB3 ASP A 45 -12.509 -14.683 -6.407 1.00 22.43 H new ATOM 699 N LEU A 46 -10.105 -12.606 -5.293 1.00 13.01 N ATOM 700 CA LEU A 46 -8.930 -12.183 -6.032 1.00 25.13 C ATOM 701 C LEU A 46 -7.730 -11.899 -5.115 1.00 71.42 C ATOM 702 O LEU A 46 -6.702 -11.446 -5.624 1.00 21.11 O ATOM 703 CB LEU A 46 -9.252 -11.005 -6.977 1.00 72.20 C ATOM 704 CG LEU A 46 -10.219 -11.275 -8.138 1.00 53.02 C ATOM 705 CD1 LEU A 46 -10.306 -10.015 -9.010 1.00 42.02 C ATOM 706 CD2 LEU A 46 -9.729 -12.420 -9.019 1.00 1.22 C ATOM 0 H LEU A 46 -10.649 -11.834 -4.908 1.00 13.01 H new ATOM 0 HA LEU A 46 -8.627 -13.020 -6.662 1.00 25.13 H new ATOM 0 HB2 LEU A 46 -9.665 -10.194 -6.376 1.00 72.20 H new ATOM 0 HB3 LEU A 46 -8.313 -10.644 -7.397 1.00 72.20 H new ATOM 0 HG LEU A 46 -11.188 -11.542 -7.716 1.00 53.02 H new ATOM 0 HD11 LEU A 46 -10.990 -10.193 -9.839 1.00 42.02 H new ATOM 0 HD12 LEU A 46 -10.672 -9.182 -8.410 1.00 42.02 H new ATOM 0 HD13 LEU A 46 -9.317 -9.774 -9.401 1.00 42.02 H new ATOM 0 HD21 LEU A 46 -10.438 -12.584 -9.831 1.00 1.22 H new ATOM 0 HD22 LEU A 46 -8.753 -12.168 -9.435 1.00 1.22 H new ATOM 0 HD23 LEU A 46 -9.645 -13.328 -8.422 1.00 1.22 H new ATOM 718 N VAL A 47 -7.827 -12.187 -3.814 1.00 2.30 N ATOM 719 CA VAL A 47 -6.821 -11.946 -2.773 1.00 75.15 C ATOM 720 C VAL A 47 -6.294 -13.262 -2.176 1.00 64.23 C ATOM 721 O VAL A 47 -6.961 -14.295 -2.232 1.00 61.11 O ATOM 722 CB VAL A 47 -7.356 -10.873 -1.781 1.00 14.25 C ATOM 723 CG1 VAL A 47 -8.802 -10.990 -1.348 1.00 42.14 C ATOM 724 CG2 VAL A 47 -6.494 -10.656 -0.526 1.00 0.23 C ATOM 0 H VAL A 47 -8.666 -12.624 -3.434 1.00 2.30 H new ATOM 0 HA VAL A 47 -5.914 -11.510 -3.191 1.00 75.15 H new ATOM 0 HB VAL A 47 -7.285 -10.000 -2.429 1.00 14.25 H new ATOM 0 HG11 VAL A 47 -9.042 -10.181 -0.659 1.00 42.14 H new ATOM 0 HG12 VAL A 47 -9.450 -10.926 -2.222 1.00 42.14 H new ATOM 0 HG13 VAL A 47 -8.957 -11.948 -0.851 1.00 42.14 H new ATOM 0 HG21 VAL A 47 -6.950 -9.890 0.101 1.00 0.23 H new ATOM 0 HG22 VAL A 47 -6.424 -11.589 0.033 1.00 0.23 H new ATOM 0 HG23 VAL A 47 -5.495 -10.335 -0.822 1.00 0.23 H new ATOM 734 N ALA A 48 -5.074 -13.244 -1.629 1.00 43.13 N ATOM 735 CA ALA A 48 -4.415 -14.389 -1.013 1.00 1.45 C ATOM 736 C ALA A 48 -5.050 -14.722 0.346 1.00 42.03 C ATOM 737 O ALA A 48 -5.427 -13.795 1.076 1.00 61.32 O ATOM 738 CB ALA A 48 -2.934 -14.053 -0.801 1.00 11.04 C ATOM 0 H ALA A 48 -4.502 -12.400 -1.605 1.00 43.13 H new ATOM 0 HA ALA A 48 -4.525 -15.252 -1.670 1.00 1.45 H new ATOM 0 HB1 ALA A 48 -2.430 -14.903 -0.340 1.00 11.04 H new ATOM 0 HB2 ALA A 48 -2.470 -13.833 -1.762 1.00 11.04 H new ATOM 0 HB3 ALA A 48 -2.848 -13.183 -0.149 1.00 11.04 H new ATOM 744 N PRO A 49 -5.090 -16.010 0.743 1.00 13.33 N ATOM 745 CA PRO A 49 -5.672 -16.451 2.010 1.00 52.41 C ATOM 746 C PRO A 49 -5.047 -15.726 3.202 1.00 35.42 C ATOM 747 O PRO A 49 -5.763 -15.275 4.087 1.00 53.02 O ATOM 748 CB PRO A 49 -5.490 -17.969 2.064 1.00 55.25 C ATOM 749 CG PRO A 49 -4.374 -18.254 1.064 1.00 24.51 C ATOM 750 CD PRO A 49 -4.542 -17.151 0.024 1.00 75.23 C ATOM 0 HA PRO A 49 -6.732 -16.203 2.069 1.00 52.41 H new ATOM 0 HB2 PRO A 49 -5.220 -18.301 3.066 1.00 55.25 H new ATOM 0 HB3 PRO A 49 -6.409 -18.489 1.793 1.00 55.25 H new ATOM 0 HG2 PRO A 49 -3.392 -18.215 1.536 1.00 24.51 H new ATOM 0 HG3 PRO A 49 -4.476 -19.244 0.620 1.00 24.51 H new ATOM 0 HD2 PRO A 49 -3.587 -16.900 -0.438 1.00 75.23 H new ATOM 0 HD3 PRO A 49 -5.211 -17.467 -0.777 1.00 75.23 H new ATOM 758 N GLU A 50 -3.731 -15.521 3.195 1.00 4.21 N ATOM 759 CA GLU A 50 -2.999 -14.883 4.285 1.00 73.51 C ATOM 760 C GLU A 50 -3.430 -13.438 4.570 1.00 4.01 C ATOM 761 O GLU A 50 -3.144 -12.931 5.655 1.00 64.00 O ATOM 762 CB GLU A 50 -1.500 -14.972 3.979 1.00 25.21 C ATOM 763 CG GLU A 50 -1.055 -14.116 2.780 1.00 12.13 C ATOM 764 CD GLU A 50 0.393 -14.389 2.377 1.00 71.11 C ATOM 765 OE1 GLU A 50 0.804 -15.566 2.280 1.00 11.52 O ATOM 766 OE2 GLU A 50 1.152 -13.409 2.199 1.00 11.35 O ATOM 0 H GLU A 50 -3.134 -15.799 2.417 1.00 4.21 H new ATOM 0 HA GLU A 50 -3.235 -15.422 5.203 1.00 73.51 H new ATOM 0 HB2 GLU A 50 -0.940 -14.662 4.861 1.00 25.21 H new ATOM 0 HB3 GLU A 50 -1.240 -16.013 3.786 1.00 25.21 H new ATOM 0 HG2 GLU A 50 -1.709 -14.315 1.931 1.00 12.13 H new ATOM 0 HG3 GLU A 50 -1.168 -13.061 3.028 1.00 12.13 H new ATOM 773 N TRP A 51 -4.112 -12.774 3.631 1.00 44.32 N ATOM 774 CA TRP A 51 -4.672 -11.442 3.826 1.00 62.42 C ATOM 775 C TRP A 51 -6.135 -11.532 4.205 1.00 64.31 C ATOM 776 O TRP A 51 -6.520 -11.062 5.274 1.00 24.40 O ATOM 777 CB TRP A 51 -4.435 -10.567 2.597 1.00 50.33 C ATOM 778 CG TRP A 51 -3.099 -9.915 2.639 1.00 43.42 C ATOM 779 CD1 TRP A 51 -1.969 -10.435 2.131 1.00 4.34 C ATOM 780 CD2 TRP A 51 -2.722 -8.653 3.262 1.00 11.43 C ATOM 781 NE1 TRP A 51 -0.917 -9.579 2.373 1.00 2.01 N ATOM 782 CE2 TRP A 51 -1.319 -8.458 3.077 1.00 41.14 C ATOM 783 CE3 TRP A 51 -3.436 -7.647 3.949 1.00 41.11 C ATOM 784 CZ2 TRP A 51 -0.656 -7.316 3.561 1.00 44.20 C ATOM 785 CZ3 TRP A 51 -2.783 -6.497 4.425 1.00 40.53 C ATOM 786 CH2 TRP A 51 -1.399 -6.335 4.239 1.00 21.12 C ATOM 0 H TRP A 51 -4.290 -13.156 2.702 1.00 44.32 H new ATOM 0 HA TRP A 51 -4.157 -10.959 4.656 1.00 62.42 H new ATOM 0 HB2 TRP A 51 -4.516 -11.175 1.696 1.00 50.33 H new ATOM 0 HB3 TRP A 51 -5.211 -9.804 2.538 1.00 50.33 H new ATOM 0 HD1 TRP A 51 -1.897 -11.380 1.612 1.00 4.34 H new ATOM 0 HE1 TRP A 51 0.042 -9.751 2.070 1.00 2.01 H new ATOM 0 HE3 TRP A 51 -4.498 -7.763 4.111 1.00 41.11 H new ATOM 0 HZ2 TRP A 51 0.407 -7.195 3.414 1.00 44.20 H new ATOM 0 HZ3 TRP A 51 -3.348 -5.733 4.937 1.00 40.53 H new ATOM 0 HH2 TRP A 51 -0.905 -5.453 4.619 1.00 21.12 H new ATOM 797 N ARG A 52 -6.948 -12.167 3.360 1.00 74.33 N ATOM 798 CA ARG A 52 -8.385 -12.296 3.602 1.00 52.52 C ATOM 799 C ARG A 52 -8.730 -13.142 4.833 1.00 32.22 C ATOM 800 O ARG A 52 -9.906 -13.241 5.168 1.00 40.21 O ATOM 801 CB ARG A 52 -9.079 -12.810 2.350 1.00 21.11 C ATOM 802 CG ARG A 52 -8.670 -14.231 1.946 1.00 21.41 C ATOM 803 CD ARG A 52 -8.502 -14.273 0.424 1.00 13.13 C ATOM 804 NE ARG A 52 -8.372 -15.612 -0.173 1.00 1.23 N ATOM 805 CZ ARG A 52 -9.320 -16.553 -0.241 1.00 43.55 C ATOM 806 NH1 ARG A 52 -10.506 -16.358 0.316 1.00 32.24 N ATOM 807 NH2 ARG A 52 -9.089 -17.696 -0.875 1.00 4.25 N ATOM 0 H ARG A 52 -6.632 -12.604 2.494 1.00 74.33 H new ATOM 0 HA ARG A 52 -8.759 -11.299 3.833 1.00 52.52 H new ATOM 0 HB2 ARG A 52 -10.157 -12.785 2.509 1.00 21.11 H new ATOM 0 HB3 ARG A 52 -8.863 -12.133 1.524 1.00 21.11 H new ATOM 0 HG2 ARG A 52 -7.739 -14.512 2.438 1.00 21.41 H new ATOM 0 HG3 ARG A 52 -9.427 -14.948 2.264 1.00 21.41 H new ATOM 0 HD2 ARG A 52 -9.359 -13.776 -0.030 1.00 13.13 H new ATOM 0 HD3 ARG A 52 -7.619 -13.691 0.159 1.00 13.13 H new ATOM 0 HE ARG A 52 -7.465 -15.847 -0.577 1.00 1.23 H new ATOM 0 HH11 ARG A 52 -10.703 -15.484 0.803 1.00 32.24 H new ATOM 0 HH12 ARG A 52 -11.222 -17.082 0.258 1.00 32.24 H new ATOM 0 HH21 ARG A 52 -8.184 -17.861 -1.315 1.00 4.25 H new ATOM 0 HH22 ARG A 52 -9.817 -18.409 -0.923 1.00 4.25 H new ATOM 821 N GLN A 53 -7.724 -13.717 5.491 1.00 14.25 N ATOM 822 CA GLN A 53 -7.774 -14.702 6.555 1.00 14.10 C ATOM 823 C GLN A 53 -8.820 -14.364 7.610 1.00 45.35 C ATOM 824 O GLN A 53 -9.567 -15.246 8.017 1.00 50.22 O ATOM 825 CB GLN A 53 -6.357 -14.795 7.173 1.00 70.24 C ATOM 826 CG GLN A 53 -5.878 -16.244 7.273 1.00 3.13 C ATOM 827 CD GLN A 53 -4.392 -16.374 7.632 1.00 14.44 C ATOM 828 OE1 GLN A 53 -3.802 -15.579 8.361 1.00 54.01 O ATOM 829 NE2 GLN A 53 -3.733 -17.418 7.146 1.00 3.30 N ATOM 0 H GLN A 53 -6.759 -13.475 5.264 1.00 14.25 H new ATOM 0 HA GLN A 53 -8.075 -15.666 6.145 1.00 14.10 H new ATOM 0 HB2 GLN A 53 -5.657 -14.221 6.566 1.00 70.24 H new ATOM 0 HB3 GLN A 53 -6.362 -14.344 8.165 1.00 70.24 H new ATOM 0 HG2 GLN A 53 -6.472 -16.764 8.025 1.00 3.13 H new ATOM 0 HG3 GLN A 53 -6.059 -16.745 6.322 1.00 3.13 H new ATOM 0 HE21 GLN A 53 -4.210 -18.085 6.540 1.00 3.30 H new ATOM 0 HE22 GLN A 53 -2.749 -17.553 7.378 1.00 3.30 H new ATOM 838 N ASP A 54 -8.883 -13.103 8.035 1.00 32.31 N ATOM 839 CA ASP A 54 -9.694 -12.674 9.167 1.00 40.03 C ATOM 840 C ASP A 54 -10.131 -11.212 8.940 1.00 54.20 C ATOM 841 O ASP A 54 -10.331 -10.456 9.893 1.00 61.34 O ATOM 842 CB ASP A 54 -8.882 -12.903 10.467 1.00 22.02 C ATOM 843 CG ASP A 54 -9.532 -13.940 11.389 1.00 13.11 C ATOM 844 OD1 ASP A 54 -9.267 -15.158 11.234 1.00 51.42 O ATOM 845 OD2 ASP A 54 -10.246 -13.525 12.330 1.00 11.34 O ATOM 0 H ASP A 54 -8.364 -12.343 7.595 1.00 32.31 H new ATOM 0 HA ASP A 54 -10.611 -13.255 9.265 1.00 40.03 H new ATOM 0 HB2 ASP A 54 -7.875 -13.231 10.210 1.00 22.02 H new ATOM 0 HB3 ASP A 54 -8.783 -11.958 11.001 1.00 22.02 H new ATOM 850 N TYR A 55 -10.201 -10.776 7.670 1.00 32.23 N ATOM 851 CA TYR A 55 -10.332 -9.392 7.212 1.00 65.31 C ATOM 852 C TYR A 55 -11.719 -9.167 6.578 1.00 4.42 C ATOM 853 O TYR A 55 -11.866 -9.251 5.351 1.00 65.52 O ATOM 854 CB TYR A 55 -9.179 -9.048 6.242 1.00 52.32 C ATOM 855 CG TYR A 55 -7.919 -8.521 6.911 1.00 72.04 C ATOM 856 CD1 TYR A 55 -7.374 -9.185 8.025 1.00 30.04 C ATOM 857 CD2 TYR A 55 -7.331 -7.317 6.469 1.00 5.21 C ATOM 858 CE1 TYR A 55 -6.337 -8.604 8.764 1.00 10.01 C ATOM 859 CE2 TYR A 55 -6.274 -6.736 7.192 1.00 24.31 C ATOM 860 CZ TYR A 55 -5.807 -7.357 8.370 1.00 5.34 C ATOM 861 OH TYR A 55 -4.906 -6.723 9.166 1.00 62.43 O ATOM 0 H TYR A 55 -10.165 -11.430 6.888 1.00 32.23 H new ATOM 0 HA TYR A 55 -10.257 -8.715 8.063 1.00 65.31 H new ATOM 0 HB2 TYR A 55 -8.924 -9.941 5.671 1.00 52.32 H new ATOM 0 HB3 TYR A 55 -9.533 -8.304 5.528 1.00 52.32 H new ATOM 0 HD1 TYR A 55 -7.759 -10.152 8.313 1.00 30.04 H new ATOM 0 HD2 TYR A 55 -7.694 -6.839 5.571 1.00 5.21 H new ATOM 0 HE1 TYR A 55 -5.943 -9.109 9.634 1.00 10.01 H new ATOM 0 HE2 TYR A 55 -5.821 -5.818 6.847 1.00 24.31 H new ATOM 0 HH TYR A 55 -4.640 -5.877 8.749 1.00 62.43 H new ATOM 871 N PRO A 56 -12.755 -8.860 7.377 1.00 4.21 N ATOM 872 CA PRO A 56 -14.093 -8.561 6.877 1.00 24.22 C ATOM 873 C PRO A 56 -14.192 -7.190 6.194 1.00 33.22 C ATOM 874 O PRO A 56 -15.169 -6.945 5.488 1.00 12.23 O ATOM 875 CB PRO A 56 -15.009 -8.652 8.099 1.00 0.13 C ATOM 876 CG PRO A 56 -14.096 -8.265 9.258 1.00 71.32 C ATOM 877 CD PRO A 56 -12.743 -8.831 8.831 1.00 3.10 C ATOM 0 HA PRO A 56 -14.377 -9.266 6.096 1.00 24.22 H new ATOM 0 HB2 PRO A 56 -15.859 -7.975 8.015 1.00 0.13 H new ATOM 0 HB3 PRO A 56 -15.413 -9.657 8.224 1.00 0.13 H new ATOM 0 HG2 PRO A 56 -14.056 -7.185 9.397 1.00 71.32 H new ATOM 0 HG3 PRO A 56 -14.435 -8.696 10.200 1.00 71.32 H new ATOM 0 HD2 PRO A 56 -11.927 -8.210 9.201 1.00 3.10 H new ATOM 0 HD3 PRO A 56 -12.593 -9.831 9.239 1.00 3.10 H new ATOM 885 N GLU A 57 -13.204 -6.309 6.353 1.00 70.20 N ATOM 886 CA GLU A 57 -13.226 -4.928 5.866 1.00 43.03 C ATOM 887 C GLU A 57 -11.819 -4.520 5.428 1.00 74.42 C ATOM 888 O GLU A 57 -10.859 -5.191 5.825 1.00 32.42 O ATOM 889 CB GLU A 57 -13.711 -3.978 6.973 1.00 4.44 C ATOM 890 CG GLU A 57 -15.217 -3.754 6.887 1.00 52.32 C ATOM 891 CD GLU A 57 -15.643 -2.643 7.839 1.00 21.13 C ATOM 892 OE1 GLU A 57 -15.565 -1.460 7.452 1.00 30.22 O ATOM 893 OE2 GLU A 57 -16.047 -2.978 8.978 1.00 2.32 O ATOM 0 H GLU A 57 -12.339 -6.544 6.840 1.00 70.20 H new ATOM 0 HA GLU A 57 -13.910 -4.864 5.020 1.00 43.03 H new ATOM 0 HB2 GLU A 57 -13.458 -4.393 7.949 1.00 4.44 H new ATOM 0 HB3 GLU A 57 -13.193 -3.023 6.889 1.00 4.44 H new ATOM 0 HG2 GLU A 57 -15.495 -3.493 5.866 1.00 52.32 H new ATOM 0 HG3 GLU A 57 -15.743 -4.676 7.135 1.00 52.32 H new ATOM 900 N PRO A 58 -11.681 -3.451 4.620 1.00 54.22 N ATOM 901 CA PRO A 58 -10.394 -2.986 4.133 1.00 61.41 C ATOM 902 C PRO A 58 -9.451 -2.563 5.262 1.00 52.43 C ATOM 903 O PRO A 58 -9.903 -2.134 6.327 1.00 21.51 O ATOM 904 CB PRO A 58 -10.670 -1.829 3.178 1.00 42.40 C ATOM 905 CG PRO A 58 -12.132 -1.458 3.380 1.00 55.44 C ATOM 906 CD PRO A 58 -12.761 -2.703 3.994 1.00 2.50 C ATOM 0 HA PRO A 58 -9.880 -3.801 3.624 1.00 61.41 H new ATOM 0 HB2 PRO A 58 -10.019 -0.982 3.393 1.00 42.40 H new ATOM 0 HB3 PRO A 58 -10.481 -2.122 2.145 1.00 42.40 H new ATOM 0 HG2 PRO A 58 -12.235 -0.595 4.038 1.00 55.44 H new ATOM 0 HG3 PRO A 58 -12.609 -1.197 2.435 1.00 55.44 H new ATOM 0 HD2 PRO A 58 -13.520 -2.432 4.728 1.00 2.50 H new ATOM 0 HD3 PRO A 58 -13.256 -3.303 3.231 1.00 2.50 H new ATOM 914 N PRO A 59 -8.132 -2.607 5.021 1.00 21.23 N ATOM 915 CA PRO A 59 -7.157 -2.028 5.919 1.00 52.12 C ATOM 916 C PRO A 59 -7.186 -0.503 5.803 1.00 73.34 C ATOM 917 O PRO A 59 -6.719 0.079 4.819 1.00 44.11 O ATOM 918 CB PRO A 59 -5.819 -2.608 5.491 1.00 32.00 C ATOM 919 CG PRO A 59 -5.990 -2.877 3.996 1.00 22.32 C ATOM 920 CD PRO A 59 -7.473 -3.225 3.878 1.00 25.12 C ATOM 0 HA PRO A 59 -7.357 -2.258 6.965 1.00 52.12 H new ATOM 0 HB2 PRO A 59 -5.003 -1.910 5.680 1.00 32.00 H new ATOM 0 HB3 PRO A 59 -5.588 -3.523 6.037 1.00 32.00 H new ATOM 0 HG2 PRO A 59 -5.731 -2.004 3.397 1.00 22.32 H new ATOM 0 HG3 PRO A 59 -5.355 -3.696 3.658 1.00 22.32 H new ATOM 0 HD2 PRO A 59 -7.887 -2.850 2.942 1.00 25.12 H new ATOM 0 HD3 PRO A 59 -7.620 -4.305 3.882 1.00 25.12 H new ATOM 928 N ASP A 60 -7.756 0.151 6.805 1.00 43.20 N ATOM 929 CA ASP A 60 -7.580 1.581 7.002 1.00 61.41 C ATOM 930 C ASP A 60 -6.166 1.777 7.539 1.00 11.43 C ATOM 931 O ASP A 60 -5.862 1.330 8.648 1.00 33.43 O ATOM 932 CB ASP A 60 -8.629 2.135 7.970 1.00 63.15 C ATOM 933 CG ASP A 60 -8.590 3.657 8.034 1.00 24.33 C ATOM 934 OD1 ASP A 60 -7.505 4.255 7.882 1.00 3.04 O ATOM 935 OD2 ASP A 60 -9.665 4.244 8.286 1.00 32.35 O ATOM 0 H ASP A 60 -8.352 -0.294 7.503 1.00 43.20 H new ATOM 0 HA ASP A 60 -7.713 2.124 6.067 1.00 61.41 H new ATOM 0 HB2 ASP A 60 -9.621 1.809 7.657 1.00 63.15 H new ATOM 0 HB3 ASP A 60 -8.458 1.725 8.965 1.00 63.15 H new ATOM 940 N PHE A 61 -5.278 2.362 6.738 1.00 53.14 N ATOM 941 CA PHE A 61 -3.901 2.636 7.136 1.00 20.31 C ATOM 942 C PHE A 61 -3.748 3.985 7.849 1.00 71.13 C ATOM 943 O PHE A 61 -2.657 4.278 8.345 1.00 31.31 O ATOM 944 CB PHE A 61 -3.007 2.595 5.891 1.00 45.44 C ATOM 945 CG PHE A 61 -2.948 1.240 5.212 1.00 33.53 C ATOM 946 CD1 PHE A 61 -2.145 0.208 5.743 1.00 42.41 C ATOM 947 CD2 PHE A 61 -3.693 1.010 4.041 1.00 62.51 C ATOM 948 CE1 PHE A 61 -2.070 -1.038 5.092 1.00 34.02 C ATOM 949 CE2 PHE A 61 -3.628 -0.238 3.402 1.00 43.12 C ATOM 950 CZ PHE A 61 -2.816 -1.261 3.923 1.00 42.33 C ATOM 0 H PHE A 61 -5.497 2.661 5.788 1.00 53.14 H new ATOM 0 HA PHE A 61 -3.600 1.869 7.850 1.00 20.31 H new ATOM 0 HB2 PHE A 61 -3.368 3.333 5.174 1.00 45.44 H new ATOM 0 HB3 PHE A 61 -1.997 2.892 6.173 1.00 45.44 H new ATOM 0 HD1 PHE A 61 -1.586 0.375 6.652 1.00 42.41 H new ATOM 0 HD2 PHE A 61 -4.315 1.794 3.634 1.00 62.51 H new ATOM 0 HE1 PHE A 61 -1.441 -1.820 5.490 1.00 34.02 H new ATOM 0 HE2 PHE A 61 -4.204 -0.413 2.506 1.00 43.12 H new ATOM 0 HZ PHE A 61 -2.766 -2.218 3.424 1.00 42.33 H new ATOM 960 N ILE A 62 -4.782 4.834 7.837 1.00 35.24 N ATOM 961 CA ILE A 62 -4.758 6.215 8.325 1.00 74.43 C ATOM 962 C ILE A 62 -5.210 6.238 9.781 1.00 41.02 C ATOM 963 O ILE A 62 -4.641 6.965 10.595 1.00 45.32 O ATOM 964 CB ILE A 62 -5.680 7.143 7.481 1.00 51.32 C ATOM 965 CG1 ILE A 62 -5.756 6.716 5.999 1.00 13.43 C ATOM 966 CG2 ILE A 62 -5.216 8.606 7.645 1.00 45.10 C ATOM 967 CD1 ILE A 62 -6.306 7.786 5.055 1.00 61.35 C ATOM 0 H ILE A 62 -5.696 4.565 7.472 1.00 35.24 H new ATOM 0 HA ILE A 62 -3.738 6.589 8.235 1.00 74.43 H new ATOM 0 HB ILE A 62 -6.699 7.052 7.857 1.00 51.32 H new ATOM 0 HG12 ILE A 62 -4.758 6.433 5.664 1.00 13.43 H new ATOM 0 HG13 ILE A 62 -6.381 5.827 5.923 1.00 13.43 H new ATOM 0 HG21 ILE A 62 -5.859 9.260 7.056 1.00 45.10 H new ATOM 0 HG22 ILE A 62 -5.274 8.891 8.696 1.00 45.10 H new ATOM 0 HG23 ILE A 62 -4.187 8.702 7.300 1.00 45.10 H new ATOM 0 HD11 ILE A 62 -6.323 7.399 4.036 1.00 61.35 H new ATOM 0 HD12 ILE A 62 -7.318 8.054 5.359 1.00 61.35 H new ATOM 0 HD13 ILE A 62 -5.669 8.670 5.096 1.00 61.35 H new ATOM 979 N ALA A 63 -6.236 5.451 10.101 1.00 3.20 N ATOM 980 CA ALA A 63 -6.918 5.457 11.384 1.00 31.24 C ATOM 981 C ALA A 63 -6.740 4.121 12.110 1.00 50.14 C ATOM 982 O ALA A 63 -7.529 3.800 12.998 1.00 14.32 O ATOM 983 CB ALA A 63 -8.394 5.802 11.158 1.00 74.32 C ATOM 0 H ALA A 63 -6.625 4.770 9.448 1.00 3.20 H new ATOM 0 HA ALA A 63 -6.479 6.216 12.032 1.00 31.24 H new ATOM 0 HB1 ALA A 63 -8.916 5.809 12.115 1.00 74.32 H new ATOM 0 HB2 ALA A 63 -8.471 6.786 10.695 1.00 74.32 H new ATOM 0 HB3 ALA A 63 -8.846 5.057 10.504 1.00 74.32 H new ATOM 989 N SER A 64 -5.775 3.298 11.695 1.00 53.13 N ATOM 990 CA SER A 64 -5.476 1.994 12.258 1.00 31.15 C ATOM 991 C SER A 64 -4.081 1.555 11.807 1.00 41.43 C ATOM 992 O SER A 64 -3.648 1.943 10.721 1.00 75.11 O ATOM 993 CB SER A 64 -6.580 1.027 11.811 1.00 42.33 C ATOM 994 OG SER A 64 -7.686 1.113 12.683 1.00 42.03 O ATOM 0 H SER A 64 -5.156 3.540 10.921 1.00 53.13 H new ATOM 0 HA SER A 64 -5.460 2.015 13.348 1.00 31.15 H new ATOM 0 HB2 SER A 64 -6.891 1.264 10.793 1.00 42.33 H new ATOM 0 HB3 SER A 64 -6.196 0.007 11.798 1.00 42.33 H new ATOM 0 HG SER A 64 -7.748 2.022 13.045 1.00 42.03 H new ATOM 1000 N ARG A 65 -3.381 0.725 12.600 1.00 70.13 N ATOM 1001 CA ARG A 65 -2.135 0.095 12.147 1.00 3.23 C ATOM 1002 C ARG A 65 -2.008 -1.405 12.472 1.00 52.13 C ATOM 1003 O ARG A 65 -0.922 -1.865 12.830 1.00 33.04 O ATOM 1004 CB ARG A 65 -0.941 0.928 12.681 1.00 22.02 C ATOM 1005 CG ARG A 65 -0.793 1.124 14.204 1.00 24.42 C ATOM 1006 CD ARG A 65 -0.299 -0.113 14.962 1.00 2.12 C ATOM 1007 NE ARG A 65 -0.010 0.120 16.378 1.00 52.25 N ATOM 1008 CZ ARG A 65 -0.902 0.071 17.371 1.00 22.13 C ATOM 1009 NH1 ARG A 65 -2.172 0.425 17.188 1.00 65.33 N ATOM 1010 NH2 ARG A 65 -0.522 -0.371 18.558 1.00 30.15 N ATOM 0 H ARG A 65 -3.657 0.478 13.550 1.00 70.13 H new ATOM 0 HA ARG A 65 -2.140 0.105 11.057 1.00 3.23 H new ATOM 0 HB2 ARG A 65 -0.025 0.462 12.318 1.00 22.02 H new ATOM 0 HB3 ARG A 65 -0.998 1.916 12.225 1.00 22.02 H new ATOM 0 HG2 ARG A 65 -0.100 1.946 14.386 1.00 24.42 H new ATOM 0 HG3 ARG A 65 -1.758 1.424 14.614 1.00 24.42 H new ATOM 0 HD2 ARG A 65 -1.051 -0.898 14.882 1.00 2.12 H new ATOM 0 HD3 ARG A 65 0.603 -0.485 14.476 1.00 2.12 H new ATOM 0 HE ARG A 65 0.955 0.338 16.628 1.00 52.25 H new ATOM 0 HH11 ARG A 65 -2.486 0.744 16.271 1.00 65.33 H new ATOM 0 HH12 ARG A 65 -2.832 0.378 17.965 1.00 65.33 H new ATOM 0 HH21 ARG A 65 0.442 -0.669 18.706 1.00 30.15 H new ATOM 0 HH22 ARG A 65 -1.193 -0.414 19.325 1.00 30.15 H new ATOM 1024 N PRO A 66 -2.995 -2.252 12.145 1.00 20.42 N ATOM 1025 CA PRO A 66 -2.766 -3.684 12.108 1.00 33.32 C ATOM 1026 C PRO A 66 -2.064 -4.058 10.807 1.00 74.32 C ATOM 1027 O PRO A 66 -1.019 -4.715 10.814 1.00 2.25 O ATOM 1028 CB PRO A 66 -4.147 -4.321 12.228 1.00 75.24 C ATOM 1029 CG PRO A 66 -5.114 -3.276 11.682 1.00 14.11 C ATOM 1030 CD PRO A 66 -4.410 -1.957 11.985 1.00 50.15 C ATOM 0 HA PRO A 66 -2.118 -4.032 12.913 1.00 33.32 H new ATOM 0 HB2 PRO A 66 -4.205 -5.248 11.658 1.00 75.24 H new ATOM 0 HB3 PRO A 66 -4.378 -4.569 13.264 1.00 75.24 H new ATOM 0 HG2 PRO A 66 -5.285 -3.405 10.613 1.00 14.11 H new ATOM 0 HG3 PRO A 66 -6.087 -3.334 12.170 1.00 14.11 H new ATOM 0 HD2 PRO A 66 -4.565 -1.243 11.176 1.00 50.15 H new ATOM 0 HD3 PRO A 66 -4.814 -1.505 12.891 1.00 50.15 H new ATOM 1038 N ALA A 67 -2.620 -3.608 9.680 1.00 33.30 N ATOM 1039 CA ALA A 67 -2.129 -3.981 8.371 1.00 21.24 C ATOM 1040 C ALA A 67 -0.753 -3.384 8.090 1.00 32.23 C ATOM 1041 O ALA A 67 -0.066 -3.915 7.229 1.00 1.24 O ATOM 1042 CB ALA A 67 -3.140 -3.604 7.295 1.00 2.21 C ATOM 0 H ALA A 67 -3.421 -2.977 9.659 1.00 33.30 H new ATOM 0 HA ALA A 67 -2.007 -5.064 8.354 1.00 21.24 H new ATOM 0 HB1 ALA A 67 -2.755 -3.892 6.317 1.00 2.21 H new ATOM 0 HB2 ALA A 67 -4.080 -4.123 7.481 1.00 2.21 H new ATOM 0 HB3 ALA A 67 -3.309 -2.527 7.316 1.00 2.21 H new ATOM 1048 N THR A 68 -0.295 -2.369 8.828 1.00 70.15 N ATOM 1049 CA THR A 68 1.091 -1.914 8.782 1.00 1.15 C ATOM 1050 C THR A 68 2.065 -3.093 8.978 1.00 20.23 C ATOM 1051 O THR A 68 3.022 -3.227 8.214 1.00 35.22 O ATOM 1052 CB THR A 68 1.291 -0.777 9.800 1.00 71.22 C ATOM 1053 OG1 THR A 68 0.178 0.106 9.798 1.00 33.34 O ATOM 1054 CG2 THR A 68 2.549 0.039 9.512 1.00 51.40 C ATOM 0 H THR A 68 -0.880 -1.840 9.475 1.00 70.15 H new ATOM 0 HA THR A 68 1.317 -1.508 7.796 1.00 1.15 H new ATOM 0 HB THR A 68 1.393 -1.255 10.774 1.00 71.22 H new ATOM 0 HG1 THR A 68 0.441 0.964 10.191 1.00 33.34 H new ATOM 0 HG21 THR A 68 2.648 0.829 10.256 1.00 51.40 H new ATOM 0 HG22 THR A 68 3.422 -0.612 9.555 1.00 51.40 H new ATOM 0 HG23 THR A 68 2.476 0.483 8.519 1.00 51.40 H new ATOM 1062 N VAL A 69 1.797 -3.995 9.928 1.00 74.23 N ATOM 1063 CA VAL A 69 2.614 -5.188 10.140 1.00 22.24 C ATOM 1064 C VAL A 69 2.412 -6.164 8.986 1.00 52.03 C ATOM 1065 O VAL A 69 3.364 -6.743 8.465 1.00 41.12 O ATOM 1066 CB VAL A 69 2.255 -5.841 11.489 1.00 74.44 C ATOM 1067 CG1 VAL A 69 3.147 -7.063 11.772 1.00 4.12 C ATOM 1068 CG2 VAL A 69 2.382 -4.804 12.614 1.00 35.35 C ATOM 0 H VAL A 69 1.008 -3.916 10.569 1.00 74.23 H new ATOM 0 HA VAL A 69 3.667 -4.906 10.170 1.00 22.24 H new ATOM 0 HB VAL A 69 1.224 -6.192 11.441 1.00 74.44 H new ATOM 0 HG11 VAL A 69 2.870 -7.502 12.730 1.00 4.12 H new ATOM 0 HG12 VAL A 69 3.013 -7.802 10.982 1.00 4.12 H new ATOM 0 HG13 VAL A 69 4.191 -6.752 11.804 1.00 4.12 H new ATOM 0 HG21 VAL A 69 2.128 -5.268 13.567 1.00 35.35 H new ATOM 0 HG22 VAL A 69 3.406 -4.433 12.653 1.00 35.35 H new ATOM 0 HG23 VAL A 69 1.702 -3.974 12.422 1.00 35.35 H new ATOM 1078 N LYS A 70 1.158 -6.371 8.588 1.00 32.10 N ATOM 1079 CA LYS A 70 0.792 -7.320 7.544 1.00 4.54 C ATOM 1080 C LYS A 70 1.473 -6.948 6.217 1.00 54.45 C ATOM 1081 O LYS A 70 1.925 -7.833 5.498 1.00 1.14 O ATOM 1082 CB LYS A 70 -0.743 -7.385 7.497 1.00 52.34 C ATOM 1083 CG LYS A 70 -1.312 -8.709 6.971 1.00 33.33 C ATOM 1084 CD LYS A 70 -2.770 -8.874 7.452 1.00 50.45 C ATOM 1085 CE LYS A 70 -3.377 -10.223 7.056 1.00 13.34 C ATOM 1086 NZ LYS A 70 -3.002 -11.339 7.954 1.00 12.13 N ATOM 0 H LYS A 70 0.360 -5.877 8.988 1.00 32.10 H new ATOM 0 HA LYS A 70 1.152 -8.327 7.754 1.00 4.54 H new ATOM 0 HB2 LYS A 70 -1.131 -7.211 8.501 1.00 52.34 H new ATOM 0 HB3 LYS A 70 -1.109 -6.573 6.869 1.00 52.34 H new ATOM 0 HG2 LYS A 70 -1.274 -8.726 5.882 1.00 33.33 H new ATOM 0 HG3 LYS A 70 -0.705 -9.543 7.324 1.00 33.33 H new ATOM 0 HD2 LYS A 70 -2.804 -8.770 8.536 1.00 50.45 H new ATOM 0 HD3 LYS A 70 -3.378 -8.071 7.036 1.00 50.45 H new ATOM 0 HE2 LYS A 70 -4.463 -10.131 7.042 1.00 13.34 H new ATOM 0 HE3 LYS A 70 -3.064 -10.466 6.041 1.00 13.34 H new ATOM 0 HZ1 LYS A 70 -2.954 -12.223 7.408 1.00 12.13 H new ATOM 0 HZ2 LYS A 70 -2.074 -11.144 8.380 1.00 12.13 H new ATOM 0 HZ3 LYS A 70 -3.715 -11.435 8.705 1.00 12.13 H new ATOM 1100 N LEU A 71 1.659 -5.652 5.940 1.00 12.14 N ATOM 1101 CA LEU A 71 2.444 -5.126 4.824 1.00 61.42 C ATOM 1102 C LEU A 71 3.904 -5.580 4.935 1.00 3.30 C ATOM 1103 O LEU A 71 4.460 -6.042 3.944 1.00 30.34 O ATOM 1104 CB LEU A 71 2.395 -3.585 4.779 1.00 43.23 C ATOM 1105 CG LEU A 71 1.080 -2.921 4.351 1.00 31.22 C ATOM 1106 CD1 LEU A 71 1.135 -1.441 4.730 1.00 4.45 C ATOM 1107 CD2 LEU A 71 0.809 -2.919 2.862 1.00 41.31 C ATOM 0 H LEU A 71 1.249 -4.914 6.512 1.00 12.14 H new ATOM 0 HA LEU A 71 2.007 -5.517 3.905 1.00 61.42 H new ATOM 0 HB2 LEU A 71 2.650 -3.213 5.771 1.00 43.23 H new ATOM 0 HB3 LEU A 71 3.178 -3.245 4.101 1.00 43.23 H new ATOM 0 HG LEU A 71 0.304 -3.504 4.847 1.00 31.22 H new ATOM 0 HD11 LEU A 71 0.206 -0.954 4.432 1.00 4.45 H new ATOM 0 HD12 LEU A 71 1.265 -1.346 5.808 1.00 4.45 H new ATOM 0 HD13 LEU A 71 1.973 -0.966 4.221 1.00 4.45 H new ATOM 0 HD21 LEU A 71 -0.144 -2.427 2.666 1.00 41.31 H new ATOM 0 HD22 LEU A 71 1.607 -2.383 2.348 1.00 41.31 H new ATOM 0 HD23 LEU A 71 0.769 -3.946 2.498 1.00 41.31 H new ATOM 1119 N THR A 72 4.546 -5.479 6.108 1.00 52.44 N ATOM 1120 CA THR A 72 5.950 -5.859 6.293 1.00 44.14 C ATOM 1121 C THR A 72 6.191 -7.326 5.942 1.00 40.45 C ATOM 1122 O THR A 72 7.290 -7.684 5.515 1.00 71.13 O ATOM 1123 CB THR A 72 6.383 -5.587 7.742 1.00 65.32 C ATOM 1124 OG1 THR A 72 6.428 -4.199 7.986 1.00 1.50 O ATOM 1125 CG2 THR A 72 7.755 -6.175 8.086 1.00 3.14 C ATOM 0 H THR A 72 4.102 -5.130 6.957 1.00 52.44 H new ATOM 0 HA THR A 72 6.549 -5.253 5.614 1.00 44.14 H new ATOM 0 HB THR A 72 5.638 -6.075 8.371 1.00 65.32 H new ATOM 0 HG1 THR A 72 6.703 -4.039 8.913 1.00 1.50 H new ATOM 0 HG21 THR A 72 7.999 -5.946 9.123 1.00 3.14 H new ATOM 0 HG22 THR A 72 7.732 -7.256 7.948 1.00 3.14 H new ATOM 0 HG23 THR A 72 8.511 -5.742 7.431 1.00 3.14 H new ATOM 1133 N ARG A 73 5.187 -8.189 6.091 1.00 5.44 N ATOM 1134 CA ARG A 73 5.301 -9.589 5.696 1.00 33.22 C ATOM 1135 C ARG A 73 5.736 -9.720 4.234 1.00 71.14 C ATOM 1136 O ARG A 73 6.494 -10.636 3.910 1.00 73.21 O ATOM 1137 CB ARG A 73 3.975 -10.326 5.935 1.00 22.24 C ATOM 1138 CG ARG A 73 3.435 -10.202 7.376 1.00 30.10 C ATOM 1139 CD ARG A 73 4.369 -10.796 8.432 1.00 13.40 C ATOM 1140 NE ARG A 73 4.642 -12.217 8.170 1.00 0.32 N ATOM 1141 CZ ARG A 73 5.582 -12.967 8.755 1.00 44.44 C ATOM 1142 NH1 ARG A 73 6.419 -12.468 9.661 1.00 74.10 N ATOM 1143 NH2 ARG A 73 5.661 -14.246 8.444 1.00 21.44 N ATOM 0 H ARG A 73 4.280 -7.939 6.485 1.00 5.44 H new ATOM 0 HA ARG A 73 6.071 -10.050 6.315 1.00 33.22 H new ATOM 0 HB2 ARG A 73 3.227 -9.938 5.244 1.00 22.24 H new ATOM 0 HB3 ARG A 73 4.111 -11.381 5.699 1.00 22.24 H new ATOM 0 HG2 ARG A 73 3.266 -9.149 7.603 1.00 30.10 H new ATOM 0 HG3 ARG A 73 2.467 -10.700 7.437 1.00 30.10 H new ATOM 0 HD2 ARG A 73 5.307 -10.240 8.444 1.00 13.40 H new ATOM 0 HD3 ARG A 73 3.920 -10.686 9.419 1.00 13.40 H new ATOM 0 HE ARG A 73 4.056 -12.676 7.473 1.00 0.32 H new ATOM 0 HH11 ARG A 73 6.355 -11.486 9.928 1.00 74.10 H new ATOM 0 HH12 ARG A 73 7.125 -13.068 10.088 1.00 74.10 H new ATOM 0 HH21 ARG A 73 5.012 -14.647 7.768 1.00 21.44 H new ATOM 0 HH22 ARG A 73 6.371 -14.834 8.880 1.00 21.44 H new ATOM 1157 N SER A 74 5.314 -8.782 3.388 1.00 73.14 N ATOM 1158 CA SER A 74 5.630 -8.709 1.973 1.00 70.21 C ATOM 1159 C SER A 74 6.864 -7.840 1.675 1.00 12.12 C ATOM 1160 O SER A 74 7.210 -7.669 0.509 1.00 70.31 O ATOM 1161 CB SER A 74 4.405 -8.136 1.254 1.00 30.12 C ATOM 1162 OG SER A 74 3.207 -8.814 1.593 1.00 52.03 O ATOM 0 H SER A 74 4.712 -8.016 3.692 1.00 73.14 H new ATOM 0 HA SER A 74 5.873 -9.712 1.621 1.00 70.21 H new ATOM 0 HB2 SER A 74 4.303 -7.080 1.503 1.00 30.12 H new ATOM 0 HB3 SER A 74 4.560 -8.196 0.177 1.00 30.12 H new ATOM 0 HG SER A 74 2.486 -8.521 0.998 1.00 52.03 H new ATOM 1168 N ILE A 75 7.529 -7.251 2.676 1.00 22.42 N ATOM 1169 CA ILE A 75 8.685 -6.373 2.485 1.00 74.21 C ATOM 1170 C ILE A 75 9.925 -7.106 3.025 1.00 10.22 C ATOM 1171 O ILE A 75 10.268 -6.944 4.202 1.00 52.22 O ATOM 1172 CB ILE A 75 8.475 -4.963 3.076 1.00 21.51 C ATOM 1173 CG1 ILE A 75 7.163 -4.323 2.576 1.00 51.32 C ATOM 1174 CG2 ILE A 75 9.648 -4.063 2.642 1.00 3.31 C ATOM 1175 CD1 ILE A 75 6.801 -3.051 3.340 1.00 44.41 C ATOM 0 H ILE A 75 7.274 -7.374 3.656 1.00 22.42 H new ATOM 0 HA ILE A 75 8.832 -6.173 1.424 1.00 74.21 H new ATOM 0 HB ILE A 75 8.423 -5.056 4.161 1.00 21.51 H new ATOM 0 HG12 ILE A 75 7.258 -4.091 1.515 1.00 51.32 H new ATOM 0 HG13 ILE A 75 6.351 -5.044 2.673 1.00 51.32 H new ATOM 0 HG21 ILE A 75 9.511 -3.063 3.054 1.00 3.31 H new ATOM 0 HG22 ILE A 75 10.584 -4.482 3.011 1.00 3.31 H new ATOM 0 HG23 ILE A 75 9.680 -4.006 1.554 1.00 3.31 H new ATOM 0 HD11 ILE A 75 5.870 -2.643 2.947 1.00 44.41 H new ATOM 0 HD12 ILE A 75 6.677 -3.285 4.397 1.00 44.41 H new ATOM 0 HD13 ILE A 75 7.597 -2.316 3.222 1.00 44.41 H new ATOM 1187 N PRO A 76 10.571 -7.952 2.207 1.00 22.44 N ATOM 1188 CA PRO A 76 11.797 -8.650 2.557 1.00 52.15 C ATOM 1189 C PRO A 76 12.964 -7.660 2.686 1.00 14.43 C ATOM 1190 O PRO A 76 12.837 -6.481 2.338 1.00 3.33 O ATOM 1191 CB PRO A 76 11.978 -9.650 1.407 1.00 52.22 C ATOM 1192 CG PRO A 76 11.519 -8.844 0.212 1.00 40.41 C ATOM 1193 CD PRO A 76 10.263 -8.214 0.812 1.00 5.11 C ATOM 0 HA PRO A 76 11.760 -9.154 3.523 1.00 52.15 H new ATOM 0 HB2 PRO A 76 13.014 -9.973 1.307 1.00 52.22 H new ATOM 0 HB3 PRO A 76 11.376 -10.548 1.549 1.00 52.22 H new ATOM 0 HG2 PRO A 76 12.253 -8.102 -0.101 1.00 40.41 H new ATOM 0 HG3 PRO A 76 11.303 -9.466 -0.657 1.00 40.41 H new ATOM 0 HD2 PRO A 76 10.002 -7.293 0.291 1.00 5.11 H new ATOM 0 HD3 PRO A 76 9.409 -8.885 0.721 1.00 5.11 H new ATOM 1201 N ALA A 77 14.118 -8.142 3.154 1.00 33.03 N ATOM 1202 CA ALA A 77 15.300 -7.327 3.407 1.00 30.03 C ATOM 1203 C ALA A 77 15.792 -6.536 2.180 1.00 44.51 C ATOM 1204 O ALA A 77 16.171 -5.378 2.364 1.00 14.32 O ATOM 1205 CB ALA A 77 16.418 -8.195 3.993 1.00 64.21 C ATOM 0 H ALA A 77 14.256 -9.129 3.371 1.00 33.03 H new ATOM 0 HA ALA A 77 15.005 -6.570 4.134 1.00 30.03 H new ATOM 0 HB1 ALA A 77 17.298 -7.579 4.179 1.00 64.21 H new ATOM 0 HB2 ALA A 77 16.081 -8.639 4.930 1.00 64.21 H new ATOM 0 HB3 ALA A 77 16.672 -8.986 3.288 1.00 64.21 H new ATOM 1211 N PRO A 78 15.807 -7.064 0.939 1.00 63.01 N ATOM 1212 CA PRO A 78 16.237 -6.285 -0.220 1.00 51.21 C ATOM 1213 C PRO A 78 15.307 -5.117 -0.543 1.00 55.04 C ATOM 1214 O PRO A 78 15.768 -4.129 -1.094 1.00 44.20 O ATOM 1215 CB PRO A 78 16.304 -7.269 -1.393 1.00 32.20 C ATOM 1216 CG PRO A 78 15.354 -8.378 -0.974 1.00 61.54 C ATOM 1217 CD PRO A 78 15.575 -8.441 0.526 1.00 54.21 C ATOM 0 HA PRO A 78 17.203 -5.824 -0.014 1.00 51.21 H new ATOM 0 HB2 PRO A 78 15.991 -6.803 -2.327 1.00 32.20 H new ATOM 0 HB3 PRO A 78 17.316 -7.643 -1.547 1.00 32.20 H new ATOM 0 HG2 PRO A 78 14.319 -8.143 -1.223 1.00 61.54 H new ATOM 0 HG3 PRO A 78 15.593 -9.324 -1.461 1.00 61.54 H new ATOM 0 HD2 PRO A 78 14.708 -8.863 1.034 1.00 54.21 H new ATOM 0 HD3 PRO A 78 16.428 -9.074 0.772 1.00 54.21 H new ATOM 1225 N TYR A 79 14.028 -5.160 -0.171 1.00 42.20 N ATOM 1226 CA TYR A 79 13.013 -4.250 -0.688 1.00 63.53 C ATOM 1227 C TYR A 79 12.744 -3.102 0.301 1.00 12.13 C ATOM 1228 O TYR A 79 11.658 -2.517 0.318 1.00 63.11 O ATOM 1229 CB TYR A 79 11.757 -5.068 -1.042 1.00 52.51 C ATOM 1230 CG TYR A 79 11.876 -5.994 -2.251 1.00 12.34 C ATOM 1231 CD1 TYR A 79 12.800 -5.734 -3.284 1.00 22.34 C ATOM 1232 CD2 TYR A 79 11.000 -7.088 -2.401 1.00 33.04 C ATOM 1233 CE1 TYR A 79 12.853 -6.536 -4.429 1.00 43.13 C ATOM 1234 CE2 TYR A 79 11.085 -7.929 -3.519 1.00 50.02 C ATOM 1235 CZ TYR A 79 12.032 -7.683 -4.533 1.00 33.31 C ATOM 1236 OH TYR A 79 12.081 -8.535 -5.596 1.00 64.55 O ATOM 0 H TYR A 79 13.667 -5.834 0.504 1.00 42.20 H new ATOM 0 HA TYR A 79 13.362 -3.764 -1.599 1.00 63.53 H new ATOM 0 HB2 TYR A 79 11.484 -5.669 -0.175 1.00 52.51 H new ATOM 0 HB3 TYR A 79 10.935 -4.375 -1.221 1.00 52.51 H new ATOM 0 HD1 TYR A 79 13.480 -4.900 -3.189 1.00 22.34 H new ATOM 0 HD2 TYR A 79 10.254 -7.281 -1.645 1.00 33.04 H new ATOM 0 HE1 TYR A 79 13.523 -6.279 -5.236 1.00 43.13 H new ATOM 0 HE2 TYR A 79 10.418 -8.774 -3.604 1.00 50.02 H new ATOM 0 HH TYR A 79 11.433 -9.259 -5.465 1.00 64.55 H new ATOM 1246 N LYS A 80 13.696 -2.802 1.189 1.00 55.44 N ATOM 1247 CA LYS A 80 13.460 -1.984 2.382 1.00 1.15 C ATOM 1248 C LYS A 80 13.553 -0.482 2.172 1.00 5.54 C ATOM 1249 O LYS A 80 13.086 0.269 3.034 1.00 15.55 O ATOM 1250 CB LYS A 80 14.463 -2.398 3.469 1.00 60.54 C ATOM 1251 CG LYS A 80 14.071 -3.724 4.125 1.00 55.33 C ATOM 1252 CD LYS A 80 12.757 -3.576 4.896 1.00 45.52 C ATOM 1253 CE LYS A 80 12.548 -4.757 5.831 1.00 24.43 C ATOM 1254 NZ LYS A 80 11.962 -4.305 7.103 1.00 53.54 N ATOM 0 H LYS A 80 14.660 -3.123 1.099 1.00 55.44 H new ATOM 0 HA LYS A 80 12.426 -2.174 2.671 1.00 1.15 H new ATOM 0 HB2 LYS A 80 15.457 -2.488 3.031 1.00 60.54 H new ATOM 0 HB3 LYS A 80 14.519 -1.618 4.229 1.00 60.54 H new ATOM 0 HG2 LYS A 80 13.967 -4.496 3.363 1.00 55.33 H new ATOM 0 HG3 LYS A 80 14.861 -4.049 4.802 1.00 55.33 H new ATOM 0 HD2 LYS A 80 12.768 -2.649 5.469 1.00 45.52 H new ATOM 0 HD3 LYS A 80 11.924 -3.508 4.196 1.00 45.52 H new ATOM 0 HE2 LYS A 80 11.892 -5.490 5.361 1.00 24.43 H new ATOM 0 HE3 LYS A 80 13.500 -5.254 6.018 1.00 24.43 H new ATOM 0 HZ1 LYS A 80 11.825 -5.122 7.732 1.00 53.54 H new ATOM 0 HZ2 LYS A 80 12.602 -3.622 7.557 1.00 53.54 H new ATOM 0 HZ3 LYS A 80 11.044 -3.851 6.920 1.00 53.54 H new ATOM 1268 N GLN A 81 14.174 -0.036 1.089 1.00 0.13 N ATOM 1269 CA GLN A 81 14.390 1.379 0.811 1.00 20.54 C ATOM 1270 C GLN A 81 13.943 1.714 -0.612 1.00 22.04 C ATOM 1271 O GLN A 81 14.372 2.730 -1.154 1.00 60.24 O ATOM 1272 CB GLN A 81 15.855 1.773 1.098 1.00 13.31 C ATOM 1273 CG GLN A 81 16.309 1.402 2.518 1.00 65.03 C ATOM 1274 CD GLN A 81 17.502 2.245 2.967 1.00 61.32 C ATOM 1275 OE1 GLN A 81 17.337 3.344 3.494 1.00 13.13 O ATOM 1276 NE2 GLN A 81 18.718 1.745 2.816 1.00 14.43 N ATOM 0 H GLN A 81 14.547 -0.654 0.369 1.00 0.13 H new ATOM 0 HA GLN A 81 13.775 1.979 1.482 1.00 20.54 H new ATOM 0 HB2 GLN A 81 16.506 1.282 0.374 1.00 13.31 H new ATOM 0 HB3 GLN A 81 15.971 2.847 0.954 1.00 13.31 H new ATOM 0 HG2 GLN A 81 15.481 1.543 3.213 1.00 65.03 H new ATOM 0 HG3 GLN A 81 16.577 0.346 2.550 1.00 65.03 H new ATOM 0 HE21 GLN A 81 18.843 0.833 2.378 1.00 14.43 H new ATOM 0 HE22 GLN A 81 19.530 2.272 3.138 1.00 14.43 H new ATOM 1285 N LEU A 82 13.080 0.887 -1.219 1.00 4.24 N ATOM 1286 CA LEU A 82 12.702 0.963 -2.631 1.00 31.13 C ATOM 1287 C LEU A 82 12.209 2.348 -3.046 1.00 72.51 C ATOM 1288 O LEU A 82 12.413 2.772 -4.182 1.00 31.34 O ATOM 1289 CB LEU A 82 11.640 -0.086 -2.965 1.00 14.05 C ATOM 1290 CG LEU A 82 12.115 -1.542 -3.006 1.00 51.32 C ATOM 1291 CD1 LEU A 82 10.905 -2.404 -3.364 1.00 62.02 C ATOM 1292 CD2 LEU A 82 13.217 -1.826 -4.026 1.00 53.24 C ATOM 0 H LEU A 82 12.614 0.126 -0.724 1.00 4.24 H new ATOM 0 HA LEU A 82 13.610 0.761 -3.199 1.00 31.13 H new ATOM 0 HB2 LEU A 82 10.839 -0.008 -2.230 1.00 14.05 H new ATOM 0 HB3 LEU A 82 11.208 0.161 -3.935 1.00 14.05 H new ATOM 0 HG LEU A 82 12.541 -1.766 -2.028 1.00 51.32 H new ATOM 0 HD11 LEU A 82 11.203 -3.452 -3.403 1.00 62.02 H new ATOM 0 HD12 LEU A 82 10.130 -2.275 -2.608 1.00 62.02 H new ATOM 0 HD13 LEU A 82 10.517 -2.101 -4.336 1.00 62.02 H new ATOM 0 HD21 LEU A 82 13.489 -2.881 -3.984 1.00 53.24 H new ATOM 0 HD22 LEU A 82 12.858 -1.584 -5.026 1.00 53.24 H new ATOM 0 HD23 LEU A 82 14.091 -1.216 -3.797 1.00 53.24 H new ATOM 1304 N LEU A 83 11.627 3.090 -2.105 1.00 2.40 N ATOM 1305 CA LEU A 83 11.270 4.487 -2.273 1.00 50.23 C ATOM 1306 C LEU A 83 12.398 5.348 -2.854 1.00 15.11 C ATOM 1307 O LEU A 83 12.085 6.309 -3.553 1.00 63.21 O ATOM 1308 CB LEU A 83 10.848 5.045 -0.912 1.00 12.03 C ATOM 1309 CG LEU A 83 9.334 5.021 -0.657 1.00 34.02 C ATOM 1310 CD1 LEU A 83 8.532 6.030 -1.488 1.00 13.13 C ATOM 1311 CD2 LEU A 83 8.701 3.690 -0.832 1.00 43.05 C ATOM 0 H LEU A 83 11.387 2.722 -1.184 1.00 2.40 H new ATOM 0 HA LEU A 83 10.455 4.529 -2.996 1.00 50.23 H new ATOM 0 HB2 LEU A 83 11.345 4.473 -0.129 1.00 12.03 H new ATOM 0 HB3 LEU A 83 11.202 6.073 -0.829 1.00 12.03 H new ATOM 0 HG LEU A 83 9.287 5.305 0.394 1.00 34.02 H new ATOM 0 HD11 LEU A 83 7.473 5.943 -1.243 1.00 13.13 H new ATOM 0 HD12 LEU A 83 8.875 7.040 -1.264 1.00 13.13 H new ATOM 0 HD13 LEU A 83 8.677 5.825 -2.549 1.00 13.13 H new ATOM 0 HD21 LEU A 83 7.632 3.766 -0.632 1.00 43.05 H new ATOM 0 HD22 LEU A 83 8.855 3.345 -1.855 1.00 43.05 H new ATOM 0 HD23 LEU A 83 9.150 2.979 -0.138 1.00 43.05 H new ATOM 1323 N LYS A 84 13.672 5.029 -2.606 1.00 13.24 N ATOM 1324 CA LYS A 84 14.845 5.715 -3.125 1.00 33.21 C ATOM 1325 C LYS A 84 15.729 4.829 -3.981 1.00 51.53 C ATOM 1326 O LYS A 84 16.364 5.355 -4.895 1.00 74.24 O ATOM 1327 CB LYS A 84 15.654 6.386 -2.028 1.00 45.23 C ATOM 1328 CG LYS A 84 15.764 5.583 -0.745 1.00 23.52 C ATOM 1329 CD LYS A 84 16.599 6.353 0.276 1.00 20.11 C ATOM 1330 CE LYS A 84 16.677 5.567 1.580 1.00 11.45 C ATOM 1331 NZ LYS A 84 17.203 6.396 2.675 1.00 54.33 N ATOM 0 H LYS A 84 13.919 4.243 -2.005 1.00 13.24 H new ATOM 0 HA LYS A 84 14.453 6.495 -3.778 1.00 33.21 H new ATOM 0 HB2 LYS A 84 16.658 6.585 -2.404 1.00 45.23 H new ATOM 0 HB3 LYS A 84 15.202 7.351 -1.800 1.00 45.23 H new ATOM 0 HG2 LYS A 84 14.771 5.386 -0.342 1.00 23.52 H new ATOM 0 HG3 LYS A 84 16.223 4.616 -0.949 1.00 23.52 H new ATOM 0 HD2 LYS A 84 17.601 6.525 -0.116 1.00 20.11 H new ATOM 0 HD3 LYS A 84 16.156 7.332 0.457 1.00 20.11 H new ATOM 0 HE2 LYS A 84 15.686 5.198 1.844 1.00 11.45 H new ATOM 0 HE3 LYS A 84 17.316 4.694 1.443 1.00 11.45 H new ATOM 0 HZ1 LYS A 84 17.244 5.833 3.548 1.00 54.33 H new ATOM 0 HZ2 LYS A 84 18.158 6.727 2.432 1.00 54.33 H new ATOM 0 HZ3 LYS A 84 16.579 7.215 2.821 1.00 54.33 H new ATOM 1345 N GLU A 85 15.756 3.525 -3.718 1.00 35.21 N ATOM 1346 CA GLU A 85 16.444 2.570 -4.589 1.00 65.50 C ATOM 1347 C GLU A 85 15.882 2.638 -6.013 1.00 53.41 C ATOM 1348 O GLU A 85 16.615 2.382 -6.967 1.00 62.03 O ATOM 1349 CB GLU A 85 16.323 1.120 -4.090 1.00 13.52 C ATOM 1350 CG GLU A 85 16.810 0.844 -2.660 1.00 30.42 C ATOM 1351 CD GLU A 85 16.448 -0.572 -2.196 1.00 12.21 C ATOM 1352 OE1 GLU A 85 16.958 -1.553 -2.783 1.00 60.32 O ATOM 1353 OE2 GLU A 85 15.731 -0.715 -1.175 1.00 33.44 O ATOM 0 H GLU A 85 15.308 3.102 -2.905 1.00 35.21 H new ATOM 0 HA GLU A 85 17.497 2.853 -4.577 1.00 65.50 H new ATOM 0 HB2 GLU A 85 15.277 0.822 -4.157 1.00 13.52 H new ATOM 0 HB3 GLU A 85 16.882 0.477 -4.771 1.00 13.52 H new ATOM 0 HG2 GLU A 85 17.891 0.976 -2.613 1.00 30.42 H new ATOM 0 HG3 GLU A 85 16.370 1.573 -1.979 1.00 30.42 H new ATOM 1360 N GLU A 86 14.601 3.004 -6.154 1.00 41.42 N ATOM 1361 CA GLU A 86 13.926 3.144 -7.432 1.00 60.24 C ATOM 1362 C GLU A 86 13.574 4.624 -7.663 1.00 12.21 C ATOM 1363 O GLU A 86 14.058 5.218 -8.629 1.00 42.23 O ATOM 1364 CB GLU A 86 12.696 2.215 -7.517 1.00 10.24 C ATOM 1365 CG GLU A 86 12.852 0.804 -6.913 1.00 1.00 C ATOM 1366 CD GLU A 86 13.995 -0.041 -7.473 1.00 41.40 C ATOM 1367 OE1 GLU A 86 14.049 -0.266 -8.699 1.00 55.24 O ATOM 1368 OE2 GLU A 86 14.753 -0.628 -6.665 1.00 22.15 O ATOM 0 H GLU A 86 13.999 3.214 -5.358 1.00 41.42 H new ATOM 0 HA GLU A 86 14.593 2.830 -8.235 1.00 60.24 H new ATOM 0 HB2 GLU A 86 11.862 2.708 -7.019 1.00 10.24 H new ATOM 0 HB3 GLU A 86 12.422 2.108 -8.567 1.00 10.24 H new ATOM 0 HG2 GLU A 86 12.994 0.905 -5.837 1.00 1.00 H new ATOM 0 HG3 GLU A 86 11.918 0.261 -7.062 1.00 1.00 H new ATOM 1375 N LEU A 87 12.725 5.233 -6.811 1.00 72.44 N ATOM 1376 CA LEU A 87 12.107 6.537 -7.117 1.00 30.35 C ATOM 1377 C LEU A 87 13.006 7.727 -6.764 1.00 55.33 C ATOM 1378 O LEU A 87 13.278 8.563 -7.626 1.00 22.32 O ATOM 1379 CB LEU A 87 10.709 6.777 -6.492 1.00 22.44 C ATOM 1380 CG LEU A 87 9.889 5.624 -5.914 1.00 13.11 C ATOM 1381 CD1 LEU A 87 8.687 6.187 -5.145 1.00 71.34 C ATOM 1382 CD2 LEU A 87 9.358 4.700 -6.996 1.00 21.34 C ATOM 0 H LEU A 87 12.453 4.843 -5.908 1.00 72.44 H new ATOM 0 HA LEU A 87 11.974 6.476 -8.197 1.00 30.35 H new ATOM 0 HB2 LEU A 87 10.839 7.506 -5.692 1.00 22.44 H new ATOM 0 HB3 LEU A 87 10.095 7.250 -7.258 1.00 22.44 H new ATOM 0 HG LEU A 87 10.551 5.055 -5.261 1.00 13.11 H new ATOM 0 HD11 LEU A 87 8.102 5.365 -4.732 1.00 71.34 H new ATOM 0 HD12 LEU A 87 9.040 6.824 -4.334 1.00 71.34 H new ATOM 0 HD13 LEU A 87 8.064 6.772 -5.821 1.00 71.34 H new ATOM 0 HD21 LEU A 87 8.782 3.896 -6.538 1.00 21.34 H new ATOM 0 HD22 LEU A 87 8.718 5.264 -7.674 1.00 21.34 H new ATOM 0 HD23 LEU A 87 10.193 4.276 -7.554 1.00 21.34 H new ATOM 1394 N GLY A 88 13.372 7.855 -5.483 1.00 63.11 N ATOM 1395 CA GLY A 88 14.160 8.941 -4.900 1.00 12.13 C ATOM 1396 C GLY A 88 13.627 9.522 -3.579 1.00 21.21 C ATOM 1397 O GLY A 88 14.248 10.447 -3.050 1.00 72.31 O ATOM 0 H GLY A 88 13.108 7.159 -4.785 1.00 63.11 H new ATOM 0 HA2 GLY A 88 15.174 8.579 -4.732 1.00 12.13 H new ATOM 0 HA3 GLY A 88 14.226 9.748 -5.629 1.00 12.13 H new ATOM 1401 N PHE A 89 12.498 9.064 -3.030 1.00 42.52 N ATOM 1402 CA PHE A 89 11.994 9.532 -1.734 1.00 2.53 C ATOM 1403 C PHE A 89 12.744 8.845 -0.590 1.00 44.40 C ATOM 1404 O PHE A 89 13.093 7.674 -0.697 1.00 11.33 O ATOM 1405 CB PHE A 89 10.504 9.201 -1.617 1.00 11.11 C ATOM 1406 CG PHE A 89 9.912 9.403 -0.228 1.00 34.31 C ATOM 1407 CD1 PHE A 89 9.548 10.668 0.270 1.00 44.11 C ATOM 1408 CD2 PHE A 89 9.756 8.287 0.605 1.00 11.34 C ATOM 1409 CE1 PHE A 89 9.028 10.783 1.577 1.00 72.24 C ATOM 1410 CE2 PHE A 89 9.154 8.368 1.858 1.00 32.10 C ATOM 1411 CZ PHE A 89 8.819 9.634 2.370 1.00 33.30 C ATOM 0 H PHE A 89 11.907 8.359 -3.471 1.00 42.52 H new ATOM 0 HA PHE A 89 12.147 10.609 -1.669 1.00 2.53 H new ATOM 0 HB2 PHE A 89 9.952 9.819 -2.325 1.00 11.11 H new ATOM 0 HB3 PHE A 89 10.352 8.163 -1.914 1.00 11.11 H new ATOM 0 HD1 PHE A 89 9.666 11.547 -0.346 1.00 44.11 H new ATOM 0 HD2 PHE A 89 10.116 7.328 0.262 1.00 11.34 H new ATOM 0 HE1 PHE A 89 8.788 11.758 1.974 1.00 72.24 H new ATOM 0 HE2 PHE A 89 8.948 7.473 2.427 1.00 32.10 H new ATOM 0 HZ PHE A 89 8.405 9.727 3.363 1.00 33.30 H new ATOM 1567 N ARG A 100 -0.398 11.191 9.601 1.00 52.13 N ATOM 1568 CA ARG A 100 -1.122 11.270 8.330 1.00 72.44 C ATOM 1569 C ARG A 100 -0.195 11.088 7.134 1.00 42.34 C ATOM 1570 O ARG A 100 -0.583 10.441 6.164 1.00 51.15 O ATOM 1571 CB ARG A 100 -1.892 12.585 8.197 1.00 13.43 C ATOM 1572 CG ARG A 100 -3.118 12.618 9.120 1.00 14.23 C ATOM 1573 CD ARG A 100 -4.069 13.744 8.713 1.00 3.12 C ATOM 1574 NE ARG A 100 -4.724 13.415 7.438 1.00 21.21 N ATOM 1575 CZ ARG A 100 -5.924 12.848 7.300 1.00 62.51 C ATOM 1576 NH1 ARG A 100 -6.681 12.593 8.364 1.00 42.24 N ATOM 1577 NH2 ARG A 100 -6.329 12.541 6.075 1.00 74.32 N ATOM 0 HA ARG A 100 -1.839 10.449 8.335 1.00 72.44 H new ATOM 0 HB2 ARG A 100 -1.233 13.419 8.437 1.00 13.43 H new ATOM 0 HB3 ARG A 100 -2.211 12.718 7.163 1.00 13.43 H new ATOM 0 HG2 ARG A 100 -3.639 11.661 9.076 1.00 14.23 H new ATOM 0 HG3 ARG A 100 -2.799 12.760 10.152 1.00 14.23 H new ATOM 0 HD2 ARG A 100 -4.820 13.895 9.489 1.00 3.12 H new ATOM 0 HD3 ARG A 100 -3.518 14.679 8.617 1.00 3.12 H new ATOM 0 HE ARG A 100 -4.216 13.640 6.583 1.00 21.21 H new ATOM 0 HH11 ARG A 100 -6.346 12.831 9.297 1.00 42.24 H new ATOM 0 HH12 ARG A 100 -7.597 12.159 8.246 1.00 42.24 H new ATOM 0 HH21 ARG A 100 -5.729 12.739 5.275 1.00 74.32 H new ATOM 0 HH22 ARG A 100 -7.241 12.106 5.933 1.00 74.32 H new ATOM 1591 N LYS A 101 1.010 11.660 7.187 1.00 24.12 N ATOM 1592 CA LYS A 101 1.999 11.588 6.116 1.00 53.31 C ATOM 1593 C LYS A 101 2.697 10.232 6.151 1.00 63.21 C ATOM 1594 O LYS A 101 2.811 9.584 5.112 1.00 52.34 O ATOM 1595 CB LYS A 101 2.999 12.754 6.247 1.00 25.21 C ATOM 1596 CG LYS A 101 2.461 14.067 5.656 1.00 13.24 C ATOM 1597 CD LYS A 101 3.214 15.281 6.231 1.00 2.12 C ATOM 1598 CE LYS A 101 3.993 16.130 5.222 1.00 11.43 C ATOM 1599 NZ LYS A 101 3.167 16.804 4.195 1.00 4.11 N ATOM 0 H LYS A 101 1.329 12.197 7.994 1.00 24.12 H new ATOM 0 HA LYS A 101 1.506 11.684 5.148 1.00 53.31 H new ATOM 0 HB2 LYS A 101 3.238 12.905 7.300 1.00 25.21 H new ATOM 0 HB3 LYS A 101 3.929 12.488 5.744 1.00 25.21 H new ATOM 0 HG2 LYS A 101 2.565 14.051 4.571 1.00 13.24 H new ATOM 0 HG3 LYS A 101 1.397 14.159 5.873 1.00 13.24 H new ATOM 0 HD2 LYS A 101 2.493 15.924 6.736 1.00 2.12 H new ATOM 0 HD3 LYS A 101 3.911 14.925 6.990 1.00 2.12 H new ATOM 0 HE2 LYS A 101 4.556 16.888 5.767 1.00 11.43 H new ATOM 0 HE3 LYS A 101 4.720 15.492 4.719 1.00 11.43 H new ATOM 0 HZ1 LYS A 101 3.782 17.353 3.560 1.00 4.11 H new ATOM 0 HZ2 LYS A 101 2.648 16.091 3.644 1.00 4.11 H new ATOM 0 HZ3 LYS A 101 2.490 17.443 4.659 1.00 4.11 H new ATOM 1613 N THR A 102 3.143 9.764 7.316 1.00 13.55 N ATOM 1614 CA THR A 102 3.920 8.530 7.390 1.00 45.23 C ATOM 1615 C THR A 102 3.105 7.316 6.934 1.00 64.32 C ATOM 1616 O THR A 102 3.646 6.444 6.255 1.00 64.45 O ATOM 1617 CB THR A 102 4.485 8.354 8.798 1.00 52.41 C ATOM 1618 OG1 THR A 102 3.451 8.358 9.749 1.00 0.31 O ATOM 1619 CG2 THR A 102 5.456 9.479 9.152 1.00 4.31 C ATOM 0 H THR A 102 2.981 10.218 8.215 1.00 13.55 H new ATOM 0 HA THR A 102 4.758 8.606 6.698 1.00 45.23 H new ATOM 0 HB THR A 102 5.011 7.399 8.813 1.00 52.41 H new ATOM 0 HG1 THR A 102 3.830 8.242 10.645 1.00 0.31 H new ATOM 0 HG21 THR A 102 5.840 9.324 10.160 1.00 4.31 H new ATOM 0 HG22 THR A 102 6.285 9.480 8.444 1.00 4.31 H new ATOM 0 HG23 THR A 102 4.937 10.436 9.105 1.00 4.31 H new ATOM 1627 N ARG A 103 1.788 7.301 7.182 1.00 20.42 N ATOM 1628 CA ARG A 103 0.845 6.367 6.558 1.00 53.54 C ATOM 1629 C ARG A 103 1.098 6.255 5.058 1.00 70.32 C ATOM 1630 O ARG A 103 1.361 5.163 4.557 1.00 15.34 O ATOM 1631 CB ARG A 103 -0.602 6.784 6.911 1.00 55.32 C ATOM 1632 CG ARG A 103 -1.707 6.348 5.921 1.00 61.22 C ATOM 1633 CD ARG A 103 -2.195 7.546 5.097 1.00 71.42 C ATOM 1634 NE ARG A 103 -3.066 7.169 3.975 1.00 41.11 N ATOM 1635 CZ ARG A 103 -3.596 8.034 3.105 1.00 3.33 C ATOM 1636 NH1 ARG A 103 -3.316 9.332 3.192 1.00 65.33 N ATOM 1637 NH2 ARG A 103 -4.421 7.589 2.178 1.00 64.23 N ATOM 0 H ARG A 103 1.343 7.948 7.832 1.00 20.42 H new ATOM 0 HA ARG A 103 0.998 5.363 6.955 1.00 53.54 H new ATOM 0 HB2 ARG A 103 -0.844 6.378 7.893 1.00 55.32 H new ATOM 0 HB3 ARG A 103 -0.632 7.870 6.999 1.00 55.32 H new ATOM 0 HG2 ARG A 103 -1.323 5.574 5.256 1.00 61.22 H new ATOM 0 HG3 ARG A 103 -2.542 5.912 6.469 1.00 61.22 H new ATOM 0 HD2 ARG A 103 -2.734 8.231 5.751 1.00 71.42 H new ATOM 0 HD3 ARG A 103 -1.331 8.087 4.710 1.00 71.42 H new ATOM 0 HE ARG A 103 -3.281 6.179 3.852 1.00 41.11 H new ATOM 0 HH11 ARG A 103 -2.694 9.671 3.926 1.00 65.33 H new ATOM 0 HH12 ARG A 103 -3.723 9.987 2.525 1.00 65.33 H new ATOM 0 HH21 ARG A 103 -4.648 6.596 2.131 1.00 64.23 H new ATOM 0 HH22 ARG A 103 -4.833 8.238 1.508 1.00 64.23 H new ATOM 1651 N ARG A 104 0.979 7.362 4.327 1.00 41.25 N ATOM 1652 CA ARG A 104 0.978 7.319 2.867 1.00 23.41 C ATOM 1653 C ARG A 104 2.350 6.902 2.345 1.00 31.55 C ATOM 1654 O ARG A 104 2.390 6.103 1.418 1.00 23.42 O ATOM 1655 CB ARG A 104 0.359 8.568 2.203 1.00 5.13 C ATOM 1656 CG ARG A 104 0.388 9.856 3.037 1.00 12.44 C ATOM 1657 CD ARG A 104 -0.448 10.985 2.439 1.00 11.02 C ATOM 1658 NE ARG A 104 0.349 11.770 1.493 1.00 13.11 N ATOM 1659 CZ ARG A 104 0.015 12.943 0.952 1.00 2.23 C ATOM 1660 NH1 ARG A 104 -1.196 13.446 1.131 1.00 72.13 N ATOM 1661 NH2 ARG A 104 0.892 13.637 0.242 1.00 3.31 N ATOM 0 H ARG A 104 0.882 8.298 4.721 1.00 41.25 H new ATOM 0 HA ARG A 104 0.287 6.537 2.552 1.00 23.41 H new ATOM 0 HB2 ARG A 104 0.882 8.754 1.265 1.00 5.13 H new ATOM 0 HB3 ARG A 104 -0.678 8.345 1.951 1.00 5.13 H new ATOM 0 HG2 ARG A 104 0.025 9.638 4.041 1.00 12.44 H new ATOM 0 HG3 ARG A 104 1.420 10.192 3.137 1.00 12.44 H new ATOM 0 HD2 ARG A 104 -1.320 10.571 1.933 1.00 11.02 H new ATOM 0 HD3 ARG A 104 -0.819 11.631 3.235 1.00 11.02 H new ATOM 0 HE ARG A 104 1.251 11.380 1.220 1.00 13.11 H new ATOM 0 HH11 ARG A 104 -1.883 12.936 1.686 1.00 72.13 H new ATOM 0 HH12 ARG A 104 -1.442 14.343 0.714 1.00 72.13 H new ATOM 0 HH21 ARG A 104 1.836 13.276 0.103 1.00 3.31 H new ATOM 0 HH22 ARG A 104 0.623 14.532 -0.166 1.00 3.31 H new ATOM 1675 N ALA A 105 3.449 7.289 3.002 1.00 10.13 N ATOM 1676 CA ALA A 105 4.772 6.745 2.689 1.00 33.22 C ATOM 1677 C ALA A 105 4.816 5.224 2.852 1.00 62.31 C ATOM 1678 O ALA A 105 5.311 4.505 1.984 1.00 34.10 O ATOM 1679 CB ALA A 105 5.826 7.364 3.611 1.00 53.22 C ATOM 0 H ALA A 105 3.447 7.978 3.754 1.00 10.13 H new ATOM 0 HA ALA A 105 4.982 6.991 1.648 1.00 33.22 H new ATOM 0 HB1 ALA A 105 6.806 6.953 3.370 1.00 53.22 H new ATOM 0 HB2 ALA A 105 5.842 8.445 3.472 1.00 53.22 H new ATOM 0 HB3 ALA A 105 5.581 7.135 4.648 1.00 53.22 H new ATOM 1685 N THR A 106 4.341 4.736 3.996 1.00 11.14 N ATOM 1686 CA THR A 106 4.485 3.348 4.402 1.00 64.42 C ATOM 1687 C THR A 106 3.742 2.422 3.438 1.00 72.23 C ATOM 1688 O THR A 106 4.294 1.381 3.067 1.00 21.24 O ATOM 1689 CB THR A 106 4.053 3.226 5.871 1.00 41.11 C ATOM 1690 OG1 THR A 106 4.868 4.114 6.621 1.00 75.55 O ATOM 1691 CG2 THR A 106 4.231 1.832 6.469 1.00 40.00 C ATOM 0 H THR A 106 3.838 5.307 4.675 1.00 11.14 H new ATOM 0 HA THR A 106 5.524 3.024 4.346 1.00 64.42 H new ATOM 0 HB THR A 106 2.988 3.454 5.911 1.00 41.11 H new ATOM 0 HG1 THR A 106 4.357 4.921 6.840 1.00 75.55 H new ATOM 0 HG21 THR A 106 3.901 1.837 7.508 1.00 40.00 H new ATOM 0 HG22 THR A 106 3.636 1.115 5.903 1.00 40.00 H new ATOM 0 HG23 THR A 106 5.282 1.548 6.423 1.00 40.00 H new ATOM 1699 N MET A 107 2.546 2.799 2.972 1.00 35.03 N ATOM 1700 CA MET A 107 1.897 2.050 1.904 1.00 42.12 C ATOM 1701 C MET A 107 2.726 2.095 0.618 1.00 15.32 C ATOM 1702 O MET A 107 2.798 1.068 -0.045 1.00 61.03 O ATOM 1703 CB MET A 107 0.447 2.491 1.653 1.00 34.15 C ATOM 1704 CG MET A 107 0.308 3.981 1.344 1.00 52.34 C ATOM 1705 SD MET A 107 -1.300 4.596 0.782 1.00 22.32 S ATOM 1706 CE MET A 107 -2.376 4.009 2.107 1.00 61.15 C ATOM 0 H MET A 107 2.020 3.604 3.313 1.00 35.03 H new ATOM 0 HA MET A 107 1.843 1.015 2.241 1.00 42.12 H new ATOM 0 HB2 MET A 107 0.039 1.916 0.821 1.00 34.15 H new ATOM 0 HB3 MET A 107 -0.154 2.252 2.530 1.00 34.15 H new ATOM 0 HG2 MET A 107 0.579 4.534 2.244 1.00 52.34 H new ATOM 0 HG3 MET A 107 1.045 4.232 0.581 1.00 52.34 H new ATOM 0 HE1 MET A 107 -3.125 4.769 2.331 1.00 61.15 H new ATOM 0 HE2 MET A 107 -2.873 3.091 1.793 1.00 61.15 H new ATOM 0 HE3 MET A 107 -1.781 3.812 2.999 1.00 61.15 H new ATOM 1716 N THR A 108 3.371 3.219 0.258 1.00 22.14 N ATOM 1717 CA THR A 108 4.086 3.319 -1.015 1.00 64.42 C ATOM 1718 C THR A 108 5.145 2.224 -1.132 1.00 51.31 C ATOM 1719 O THR A 108 5.229 1.600 -2.183 1.00 71.13 O ATOM 1720 CB THR A 108 4.738 4.694 -1.243 1.00 4.45 C ATOM 1721 OG1 THR A 108 3.926 5.758 -0.810 1.00 42.52 O ATOM 1722 CG2 THR A 108 5.030 4.911 -2.731 1.00 15.22 C ATOM 0 H THR A 108 3.409 4.063 0.830 1.00 22.14 H new ATOM 0 HA THR A 108 3.331 3.189 -1.790 1.00 64.42 H new ATOM 0 HB THR A 108 5.658 4.689 -0.658 1.00 4.45 H new ATOM 0 HG1 THR A 108 3.883 5.759 0.169 1.00 42.52 H new ATOM 0 HG21 THR A 108 5.491 5.889 -2.873 1.00 15.22 H new ATOM 0 HG22 THR A 108 5.709 4.135 -3.086 1.00 15.22 H new ATOM 0 HG23 THR A 108 4.099 4.864 -3.295 1.00 15.22 H new ATOM 1730 N ASN A 109 5.929 1.954 -0.077 1.00 3.34 N ATOM 1731 CA ASN A 109 7.065 1.035 -0.217 1.00 15.11 C ATOM 1732 C ASN A 109 6.557 -0.367 -0.572 1.00 75.35 C ATOM 1733 O ASN A 109 7.117 -1.044 -1.429 1.00 33.34 O ATOM 1734 CB ASN A 109 7.911 0.964 1.068 1.00 22.10 C ATOM 1735 CG ASN A 109 9.252 0.259 0.828 1.00 1.40 C ATOM 1736 OD1 ASN A 109 10.294 0.900 0.774 1.00 21.34 O ATOM 1737 ND2 ASN A 109 9.272 -1.056 0.699 1.00 24.31 N ATOM 0 H ASN A 109 5.802 2.347 0.856 1.00 3.34 H new ATOM 0 HA ASN A 109 7.701 1.418 -1.015 1.00 15.11 H new ATOM 0 HB2 ASN A 109 8.092 1.972 1.440 1.00 22.10 H new ATOM 0 HB3 ASN A 109 7.355 0.434 1.841 1.00 22.10 H new ATOM 0 HD21 ASN A 109 10.158 -1.541 0.554 1.00 24.31 H new ATOM 0 HD22 ASN A 109 8.402 -1.586 0.745 1.00 24.31 H new ATOM 1744 N TRP A 110 5.483 -0.813 0.091 1.00 74.30 N ATOM 1745 CA TRP A 110 4.796 -2.062 -0.237 1.00 22.35 C ATOM 1746 C TRP A 110 4.220 -1.993 -1.646 1.00 24.33 C ATOM 1747 O TRP A 110 4.274 -2.970 -2.389 1.00 21.21 O ATOM 1748 CB TRP A 110 3.652 -2.305 0.753 1.00 10.54 C ATOM 1749 CG TRP A 110 2.824 -3.533 0.506 1.00 74.14 C ATOM 1750 CD1 TRP A 110 2.916 -4.693 1.189 1.00 33.23 C ATOM 1751 CD2 TRP A 110 1.695 -3.711 -0.407 1.00 54.25 C ATOM 1752 NE1 TRP A 110 1.987 -5.592 0.706 1.00 4.41 N ATOM 1753 CE2 TRP A 110 1.215 -5.047 -0.296 1.00 62.02 C ATOM 1754 CE3 TRP A 110 1.004 -2.863 -1.296 1.00 64.31 C ATOM 1755 CZ2 TRP A 110 0.161 -5.537 -1.088 1.00 4.42 C ATOM 1756 CZ3 TRP A 110 -0.054 -3.336 -2.094 1.00 54.51 C ATOM 1757 CH2 TRP A 110 -0.467 -4.676 -2.001 1.00 73.10 C ATOM 0 H TRP A 110 5.066 -0.312 0.875 1.00 74.30 H new ATOM 0 HA TRP A 110 5.517 -2.877 -0.177 1.00 22.35 H new ATOM 0 HB2 TRP A 110 4.073 -2.369 1.757 1.00 10.54 H new ATOM 0 HB3 TRP A 110 2.993 -1.437 0.738 1.00 10.54 H new ATOM 0 HD1 TRP A 110 3.611 -4.888 1.992 1.00 33.23 H new ATOM 0 HE1 TRP A 110 1.884 -6.547 1.050 1.00 4.41 H new ATOM 0 HE3 TRP A 110 1.294 -1.825 -1.366 1.00 64.31 H new ATOM 0 HZ2 TRP A 110 -0.161 -6.564 -0.995 1.00 4.42 H new ATOM 0 HZ3 TRP A 110 -0.551 -2.667 -2.781 1.00 54.51 H new ATOM 0 HH2 TRP A 110 -1.265 -5.042 -2.630 1.00 73.10 H new ATOM 1768 N LEU A 111 3.705 -0.823 -2.037 1.00 74.20 N ATOM 1769 CA LEU A 111 3.008 -0.628 -3.300 1.00 74.33 C ATOM 1770 C LEU A 111 4.014 -0.615 -4.441 1.00 30.42 C ATOM 1771 O LEU A 111 3.608 -0.428 -5.584 1.00 15.04 O ATOM 1772 CB LEU A 111 2.155 0.665 -3.292 1.00 32.30 C ATOM 1773 CG LEU A 111 0.632 0.450 -3.253 1.00 23.32 C ATOM 1774 CD1 LEU A 111 -0.062 1.808 -3.103 1.00 1.51 C ATOM 1775 CD2 LEU A 111 0.103 -0.239 -4.519 1.00 24.24 C ATOM 0 H LEU A 111 3.765 0.024 -1.472 1.00 74.20 H new ATOM 0 HA LEU A 111 2.317 -1.459 -3.444 1.00 74.33 H new ATOM 0 HB2 LEU A 111 2.443 1.265 -2.428 1.00 32.30 H new ATOM 0 HB3 LEU A 111 2.400 1.247 -4.180 1.00 32.30 H new ATOM 0 HG LEU A 111 0.415 -0.200 -2.406 1.00 23.32 H new ATOM 0 HD11 LEU A 111 -1.142 1.664 -3.075 1.00 1.51 H new ATOM 0 HD12 LEU A 111 0.265 2.283 -2.178 1.00 1.51 H new ATOM 0 HD13 LEU A 111 0.197 2.444 -3.949 1.00 1.51 H new ATOM 0 HD21 LEU A 111 -0.977 -0.367 -4.440 1.00 24.24 H new ATOM 0 HD22 LEU A 111 0.333 0.374 -5.390 1.00 24.24 H new ATOM 0 HD23 LEU A 111 0.577 -1.215 -4.627 1.00 24.24 H new ATOM 1787 N LEU A 112 5.296 -0.882 -4.181 1.00 4.42 N ATOM 1788 CA LEU A 112 6.320 -0.985 -5.195 1.00 51.44 C ATOM 1789 C LEU A 112 7.166 -2.246 -5.024 1.00 45.00 C ATOM 1790 O LEU A 112 7.550 -2.828 -6.029 1.00 13.32 O ATOM 1791 CB LEU A 112 7.045 0.347 -5.234 1.00 2.14 C ATOM 1792 CG LEU A 112 8.449 0.494 -4.656 1.00 12.40 C ATOM 1793 CD1 LEU A 112 9.380 0.751 -5.847 1.00 51.42 C ATOM 1794 CD2 LEU A 112 8.404 1.651 -3.670 1.00 22.31 C ATOM 0 H LEU A 112 5.647 -1.034 -3.236 1.00 4.42 H new ATOM 0 HA LEU A 112 5.911 -1.142 -6.193 1.00 51.44 H new ATOM 0 HB2 LEU A 112 7.096 0.652 -6.279 1.00 2.14 H new ATOM 0 HB3 LEU A 112 6.411 1.071 -4.721 1.00 2.14 H new ATOM 0 HG LEU A 112 8.811 -0.384 -4.121 1.00 12.40 H new ATOM 0 HD11 LEU A 112 10.404 0.865 -5.491 1.00 51.42 H new ATOM 0 HD12 LEU A 112 9.328 -0.090 -6.538 1.00 51.42 H new ATOM 0 HD13 LEU A 112 9.071 1.662 -6.360 1.00 51.42 H new ATOM 0 HD21 LEU A 112 9.391 1.793 -3.230 1.00 22.31 H new ATOM 0 HD22 LEU A 112 8.104 2.561 -4.190 1.00 22.31 H new ATOM 0 HD23 LEU A 112 7.684 1.430 -2.882 1.00 22.31 H new ATOM 1806 N ALA A 113 7.363 -2.745 -3.796 1.00 44.14 N ATOM 1807 CA ALA A 113 7.896 -4.085 -3.537 1.00 31.53 C ATOM 1808 C ALA A 113 7.011 -5.162 -4.170 1.00 43.32 C ATOM 1809 O ALA A 113 7.526 -6.168 -4.654 1.00 34.35 O ATOM 1810 CB ALA A 113 7.994 -4.308 -2.023 1.00 23.33 C ATOM 0 H ALA A 113 7.153 -2.221 -2.946 1.00 44.14 H new ATOM 0 HA ALA A 113 8.887 -4.159 -3.985 1.00 31.53 H new ATOM 0 HB1 ALA A 113 8.390 -5.304 -1.827 1.00 23.33 H new ATOM 0 HB2 ALA A 113 8.658 -3.561 -1.587 1.00 23.33 H new ATOM 0 HB3 ALA A 113 7.004 -4.217 -1.577 1.00 23.33 H new ATOM 1816 N TYR A 114 5.694 -4.959 -4.199 1.00 20.30 N ATOM 1817 CA TYR A 114 4.790 -5.924 -4.801 1.00 51.21 C ATOM 1818 C TYR A 114 5.053 -6.077 -6.310 1.00 2.32 C ATOM 1819 O TYR A 114 5.095 -7.203 -6.802 1.00 51.43 O ATOM 1820 CB TYR A 114 3.346 -5.557 -4.438 1.00 74.24 C ATOM 1821 CG TYR A 114 2.304 -6.385 -5.151 1.00 32.22 C ATOM 1822 CD1 TYR A 114 2.137 -7.732 -4.793 1.00 23.12 C ATOM 1823 CD2 TYR A 114 1.528 -5.829 -6.186 1.00 61.13 C ATOM 1824 CE1 TYR A 114 1.186 -8.517 -5.457 1.00 32.12 C ATOM 1825 CE2 TYR A 114 0.545 -6.604 -6.825 1.00 43.42 C ATOM 1826 CZ TYR A 114 0.381 -7.961 -6.472 1.00 21.42 C ATOM 1827 OH TYR A 114 -0.512 -8.741 -7.139 1.00 22.42 O ATOM 0 H TYR A 114 5.235 -4.134 -3.812 1.00 20.30 H new ATOM 0 HA TYR A 114 4.974 -6.918 -4.394 1.00 51.21 H new ATOM 0 HB2 TYR A 114 3.212 -5.671 -3.362 1.00 74.24 H new ATOM 0 HB3 TYR A 114 3.180 -4.505 -4.670 1.00 74.24 H new ATOM 0 HD1 TYR A 114 2.740 -8.162 -4.007 1.00 23.12 H new ATOM 0 HD2 TYR A 114 1.688 -4.805 -6.489 1.00 61.13 H new ATOM 0 HE1 TYR A 114 1.068 -9.557 -5.189 1.00 32.12 H new ATOM 0 HE2 TYR A 114 -0.083 -6.162 -7.584 1.00 43.42 H new ATOM 0 HH TYR A 114 -0.986 -8.200 -7.805 1.00 22.42 H new ATOM 1837 N ARG A 115 5.329 -5.003 -7.068 1.00 22.12 N ATOM 1838 CA ARG A 115 5.573 -5.166 -8.487 1.00 53.41 C ATOM 1839 C ARG A 115 6.883 -5.901 -8.716 1.00 24.42 C ATOM 1840 O ARG A 115 6.984 -6.608 -9.713 1.00 31.41 O ATOM 1841 CB ARG A 115 5.442 -3.830 -9.233 1.00 32.34 C ATOM 1842 CG ARG A 115 6.780 -3.121 -9.423 1.00 2.04 C ATOM 1843 CD ARG A 115 6.588 -1.776 -10.104 1.00 43.22 C ATOM 1844 NE ARG A 115 7.899 -1.227 -10.446 1.00 42.24 N ATOM 1845 CZ ARG A 115 8.601 -1.452 -11.569 1.00 12.13 C ATOM 1846 NH1 ARG A 115 8.129 -2.215 -12.549 1.00 41.42 N ATOM 1847 NH2 ARG A 115 9.815 -0.940 -11.703 1.00 33.54 N ATOM 0 H ARG A 115 5.385 -4.045 -6.724 1.00 22.12 H new ATOM 0 HA ARG A 115 4.800 -5.799 -8.922 1.00 53.41 H new ATOM 0 HB2 ARG A 115 4.989 -4.007 -10.208 1.00 32.34 H new ATOM 0 HB3 ARG A 115 4.766 -3.177 -8.682 1.00 32.34 H new ATOM 0 HG2 ARG A 115 7.261 -2.978 -8.455 1.00 2.04 H new ATOM 0 HG3 ARG A 115 7.445 -3.744 -10.021 1.00 2.04 H new ATOM 0 HD2 ARG A 115 5.982 -1.892 -11.002 1.00 43.22 H new ATOM 0 HD3 ARG A 115 6.053 -1.092 -9.444 1.00 43.22 H new ATOM 0 HE ARG A 115 8.326 -0.607 -9.758 1.00 42.24 H new ATOM 0 HH11 ARG A 115 7.210 -2.648 -12.460 1.00 41.42 H new ATOM 0 HH12 ARG A 115 8.686 -2.367 -13.390 1.00 41.42 H new ATOM 0 HH21 ARG A 115 10.216 -0.376 -10.954 1.00 33.54 H new ATOM 0 HH22 ARG A 115 10.349 -1.110 -12.555 1.00 33.54 H new ATOM 1861 N ARG A 116 7.854 -5.787 -7.796 1.00 10.41 N ATOM 1862 CA ARG A 116 9.069 -6.579 -7.814 1.00 33.41 C ATOM 1863 C ARG A 116 8.644 -8.039 -7.816 1.00 51.30 C ATOM 1864 O ARG A 116 8.907 -8.732 -8.786 1.00 15.31 O ATOM 1865 CB ARG A 116 10.009 -6.271 -6.631 1.00 64.11 C ATOM 1866 CG ARG A 116 10.319 -4.806 -6.319 1.00 61.33 C ATOM 1867 CD ARG A 116 11.036 -4.111 -7.474 1.00 14.52 C ATOM 1868 NE ARG A 116 12.391 -3.649 -7.137 1.00 64.44 N ATOM 1869 CZ ARG A 116 13.409 -3.613 -8.003 1.00 41.15 C ATOM 1870 NH1 ARG A 116 13.255 -3.999 -9.262 1.00 73.51 N ATOM 1871 NH2 ARG A 116 14.594 -3.191 -7.599 1.00 74.11 N ATOM 0 H ARG A 116 7.806 -5.132 -7.015 1.00 10.41 H new ATOM 0 HA ARG A 116 9.649 -6.334 -8.704 1.00 33.41 H new ATOM 0 HB2 ARG A 116 9.576 -6.718 -5.736 1.00 64.11 H new ATOM 0 HB3 ARG A 116 10.955 -6.780 -6.816 1.00 64.11 H new ATOM 0 HG2 ARG A 116 9.391 -4.279 -6.099 1.00 61.33 H new ATOM 0 HG3 ARG A 116 10.937 -4.750 -5.423 1.00 61.33 H new ATOM 0 HD2 ARG A 116 11.095 -4.797 -8.319 1.00 14.52 H new ATOM 0 HD3 ARG A 116 10.441 -3.257 -7.798 1.00 14.52 H new ATOM 0 HE ARG A 116 12.565 -3.336 -6.182 1.00 64.44 H new ATOM 0 HH11 ARG A 116 12.347 -4.331 -9.586 1.00 73.51 H new ATOM 0 HH12 ARG A 116 14.045 -3.964 -9.907 1.00 73.51 H new ATOM 0 HH21 ARG A 116 14.728 -2.895 -6.632 1.00 74.11 H new ATOM 0 HH22 ARG A 116 15.375 -3.161 -8.254 1.00 74.11 H new ATOM 1885 N SER A 117 7.918 -8.487 -6.793 1.00 63.53 N ATOM 1886 CA SER A 117 7.616 -9.899 -6.606 1.00 43.14 C ATOM 1887 C SER A 117 6.879 -10.536 -7.773 1.00 2.04 C ATOM 1888 O SER A 117 7.088 -11.714 -8.070 1.00 4.41 O ATOM 1889 CB SER A 117 6.847 -10.054 -5.310 1.00 5.43 C ATOM 1890 OG SER A 117 5.566 -9.477 -5.237 1.00 35.02 O ATOM 0 H SER A 117 7.525 -7.880 -6.074 1.00 63.53 H new ATOM 0 HA SER A 117 8.562 -10.439 -6.557 1.00 43.14 H new ATOM 0 HB2 SER A 117 6.747 -11.120 -5.105 1.00 5.43 H new ATOM 0 HB3 SER A 117 7.452 -9.630 -4.508 1.00 5.43 H new ATOM 0 HG SER A 117 5.526 -8.693 -5.824 1.00 35.02 H new ATOM 1896 N GLN A 118 6.037 -9.742 -8.426 1.00 51.11 N ATOM 1897 CA GLN A 118 5.195 -10.198 -9.537 1.00 52.34 C ATOM 1898 C GLN A 118 6.012 -10.887 -10.630 1.00 60.31 C ATOM 1899 O GLN A 118 5.576 -11.876 -11.220 1.00 40.22 O ATOM 1900 CB GLN A 118 4.429 -9.023 -10.164 1.00 65.21 C ATOM 1901 CG GLN A 118 3.213 -8.539 -9.366 1.00 70.00 C ATOM 1902 CD GLN A 118 2.715 -7.201 -9.934 1.00 71.20 C ATOM 1903 OE1 GLN A 118 2.577 -6.194 -9.253 1.00 12.54 O ATOM 1904 NE2 GLN A 118 2.411 -7.139 -11.224 1.00 33.24 N ATOM 0 H GLN A 118 5.915 -8.755 -8.201 1.00 51.11 H new ATOM 0 HA GLN A 118 4.493 -10.918 -9.116 1.00 52.34 H new ATOM 0 HB2 GLN A 118 5.117 -8.187 -10.290 1.00 65.21 H new ATOM 0 HB3 GLN A 118 4.097 -9.316 -11.160 1.00 65.21 H new ATOM 0 HG2 GLN A 118 2.417 -9.283 -9.412 1.00 70.00 H new ATOM 0 HG3 GLN A 118 3.479 -8.422 -8.316 1.00 70.00 H new ATOM 0 HE21 GLN A 118 2.517 -7.965 -11.813 1.00 33.24 H new ATOM 0 HE22 GLN A 118 2.071 -6.266 -11.626 1.00 33.24 H new