USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -159:sc= -3.73! (180deg=-5.73!) USER MOD Set 1.3: A 45 THR OG1 : rot 180:sc= 0.512 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.0347 X(o=0.068,f=-0.043) USER MOD Set 2.2: A 17 LYS NZ :NH3+ -106:sc= 0.0333 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 68:sc= 0.00498 USER MOD Single : A 14 ASN : amide:sc= -0.991 K(o=-0.99,f=-0.25!) USER MOD Single : A 24 ASN : amide:sc= -0.659 K(o=-0.66,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0108) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -108:sc= 0.301 USER MOD Single : A 35 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.25) USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= 0.56 (180deg=-0.205) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= -0.582 (180deg=-0.647) USER MOD Single : A 41 CYS SG : rot 60:sc= -12.6! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.128 (180deg=-0.336) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -100:sc= 1.29 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 125:sc= 0.194 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 86:sc= 1 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 147.552 -5.167 15.459 1.00 0.00 N ATOM 2 CA GLY A 1 148.999 -5.225 15.803 1.00 0.00 C ATOM 3 C GLY A 1 149.810 -5.986 14.773 1.00 0.00 C ATOM 4 O GLY A 1 149.946 -7.207 14.858 1.00 0.00 O ATOM 0 H1 GLY A 1 147.042 -4.637 16.194 1.00 0.00 H new ATOM 0 H2 GLY A 1 147.432 -4.691 14.542 1.00 0.00 H new ATOM 0 H3 GLY A 1 147.170 -6.133 15.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 149.389 -4.211 15.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 149.119 -5.699 16.777 1.00 0.00 H new ATOM 10 N GLU A 2 150.350 -5.262 13.798 1.00 0.00 N ATOM 11 CA GLU A 2 151.151 -5.873 12.745 1.00 0.00 C ATOM 12 C GLU A 2 150.345 -6.917 11.974 1.00 0.00 C ATOM 13 O GLU A 2 150.913 -7.794 11.324 1.00 0.00 O ATOM 14 CB GLU A 2 152.404 -6.520 13.341 1.00 0.00 C ATOM 15 CG GLU A 2 153.525 -5.531 13.619 1.00 0.00 C ATOM 16 CD GLU A 2 154.879 -6.204 13.736 1.00 0.00 C ATOM 17 OE1 GLU A 2 155.197 -6.711 14.832 1.00 0.00 O ATOM 18 OE2 GLU A 2 155.621 -6.223 12.732 1.00 0.00 O ATOM 0 H GLU A 2 150.247 -4.251 13.716 1.00 0.00 H new ATOM 0 HA GLU A 2 151.447 -5.087 12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 2 152.136 -7.024 14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 2 152.768 -7.286 12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 2 153.559 -4.791 12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 2 153.310 -4.993 14.542 1.00 0.00 H new ATOM 25 N TRP A 3 149.020 -6.813 12.047 1.00 0.00 N ATOM 26 CA TRP A 3 148.139 -7.748 11.355 1.00 0.00 C ATOM 27 C TRP A 3 146.676 -7.385 11.585 1.00 0.00 C ATOM 28 O TRP A 3 146.136 -7.608 12.670 1.00 0.00 O ATOM 29 CB TRP A 3 148.400 -9.180 11.832 1.00 0.00 C ATOM 30 CG TRP A 3 147.997 -10.220 10.832 1.00 0.00 C ATOM 31 CD1 TRP A 3 148.071 -10.123 9.473 1.00 0.00 C ATOM 32 CD2 TRP A 3 147.458 -11.517 11.114 1.00 0.00 C ATOM 33 NE1 TRP A 3 147.609 -11.280 8.892 1.00 0.00 N ATOM 34 CE2 TRP A 3 147.227 -12.150 9.878 1.00 0.00 C ATOM 35 CE3 TRP A 3 147.148 -12.205 12.292 1.00 0.00 C ATOM 36 CZ2 TRP A 3 146.701 -13.437 9.787 1.00 0.00 C ATOM 37 CZ3 TRP A 3 146.626 -13.480 12.200 1.00 0.00 C ATOM 38 CH2 TRP A 3 146.408 -14.086 10.956 1.00 0.00 C ATOM 0 H TRP A 3 148.534 -6.091 12.578 1.00 0.00 H new ATOM 0 HA TRP A 3 148.350 -7.684 10.288 1.00 0.00 H new ATOM 0 HB2 TRP A 3 149.461 -9.293 12.056 1.00 0.00 H new ATOM 0 HB3 TRP A 3 147.858 -9.350 12.762 1.00 0.00 H new ATOM 0 HD1 TRP A 3 148.439 -9.263 8.933 1.00 0.00 H new ATOM 0 HE1 TRP A 3 147.559 -11.461 7.889 1.00 0.00 H new ATOM 0 HE3 TRP A 3 147.314 -11.747 13.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 146.531 -13.905 8.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 146.381 -14.020 13.103 1.00 0.00 H new ATOM 0 HH2 TRP A 3 146.001 -15.085 10.919 1.00 0.00 H new ATOM 49 N GLU A 4 146.037 -6.829 10.561 1.00 0.00 N ATOM 50 CA GLU A 4 144.636 -6.437 10.661 1.00 0.00 C ATOM 51 C GLU A 4 143.872 -6.810 9.396 1.00 0.00 C ATOM 52 O GLU A 4 143.062 -6.030 8.892 1.00 0.00 O ATOM 53 CB GLU A 4 144.518 -4.936 10.924 1.00 0.00 C ATOM 54 CG GLU A 4 143.284 -4.552 11.723 1.00 0.00 C ATOM 55 CD GLU A 4 143.018 -3.059 11.701 1.00 0.00 C ATOM 56 OE1 GLU A 4 143.167 -2.445 10.625 1.00 0.00 O ATOM 57 OE2 GLU A 4 142.661 -2.505 12.763 1.00 0.00 O ATOM 0 H GLU A 4 146.466 -6.640 9.655 1.00 0.00 H new ATOM 0 HA GLU A 4 144.195 -6.977 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.406 -4.599 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 4 144.501 -4.409 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 4 142.418 -5.078 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 4 143.407 -4.881 12.755 1.00 0.00 H new ATOM 64 N ILE A 5 144.133 -8.008 8.892 1.00 0.00 N ATOM 65 CA ILE A 5 143.476 -8.495 7.693 1.00 0.00 C ATOM 66 C ILE A 5 142.047 -8.939 7.994 1.00 0.00 C ATOM 67 O ILE A 5 141.827 -10.001 8.576 1.00 0.00 O ATOM 68 CB ILE A 5 144.255 -9.669 7.064 1.00 0.00 C ATOM 69 CG1 ILE A 5 143.567 -10.141 5.782 1.00 0.00 C ATOM 70 CG2 ILE A 5 144.385 -10.817 8.056 1.00 0.00 C ATOM 71 CD1 ILE A 5 144.486 -10.897 4.847 1.00 0.00 C ATOM 0 H ILE A 5 144.800 -8.663 9.300 1.00 0.00 H new ATOM 0 HA ILE A 5 143.451 -7.669 6.983 1.00 0.00 H new ATOM 0 HB ILE A 5 145.256 -9.322 6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 5 142.724 -10.780 6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 5 143.160 -9.276 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 5 144.937 -11.636 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 5 144.919 -10.473 8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 5 143.392 -11.165 8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 5 143.932 -11.201 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 5 145.316 -10.254 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 5 144.873 -11.781 5.354 1.00 0.00 H new ATOM 83 N ILE A 6 141.078 -8.119 7.599 1.00 0.00 N ATOM 84 CA ILE A 6 139.672 -8.434 7.833 1.00 0.00 C ATOM 85 C ILE A 6 138.765 -7.736 6.824 1.00 0.00 C ATOM 86 O ILE A 6 137.832 -8.341 6.295 1.00 0.00 O ATOM 87 CB ILE A 6 139.237 -8.035 9.256 1.00 0.00 C ATOM 88 CG1 ILE A 6 139.689 -6.607 9.572 1.00 0.00 C ATOM 89 CG2 ILE A 6 139.801 -9.016 10.274 1.00 0.00 C ATOM 90 CD1 ILE A 6 139.341 -6.157 10.974 1.00 0.00 C ATOM 0 H ILE A 6 141.239 -7.235 7.117 1.00 0.00 H new ATOM 0 HA ILE A 6 139.572 -9.513 7.715 1.00 0.00 H new ATOM 0 HB ILE A 6 138.149 -8.069 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 6 140.768 -6.538 9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 6 139.232 -5.924 8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 6 139.486 -8.722 11.275 1.00 0.00 H new ATOM 0 HG22 ILE A 6 139.432 -10.018 10.057 1.00 0.00 H new ATOM 0 HG23 ILE A 6 140.890 -9.011 10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 6 139.692 -5.136 11.126 1.00 0.00 H new ATOM 0 HD12 ILE A 6 138.260 -6.193 11.110 1.00 0.00 H new ATOM 0 HD13 ILE A 6 139.820 -6.817 11.697 1.00 0.00 H new ATOM 102 N GLU A 7 139.040 -6.462 6.562 1.00 0.00 N ATOM 103 CA GLU A 7 138.242 -5.687 5.618 1.00 0.00 C ATOM 104 C GLU A 7 138.476 -6.160 4.187 1.00 0.00 C ATOM 105 O GLU A 7 139.320 -7.018 3.937 1.00 0.00 O ATOM 106 CB GLU A 7 138.574 -4.199 5.738 1.00 0.00 C ATOM 107 CG GLU A 7 138.241 -3.609 7.100 1.00 0.00 C ATOM 108 CD GLU A 7 136.749 -3.455 7.319 1.00 0.00 C ATOM 109 OE1 GLU A 7 136.038 -4.482 7.304 1.00 0.00 O ATOM 110 OE2 GLU A 7 136.292 -2.309 7.506 1.00 0.00 O ATOM 0 H GLU A 7 139.808 -5.945 6.989 1.00 0.00 H new ATOM 0 HA GLU A 7 137.190 -5.838 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 7 139.636 -4.055 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 7 138.028 -3.650 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 7 138.655 -4.248 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 7 138.721 -2.635 7.197 1.00 0.00 H new ATOM 117 N ILE A 8 137.718 -5.594 3.250 1.00 0.00 N ATOM 118 CA ILE A 8 137.842 -5.963 1.844 1.00 0.00 C ATOM 119 C ILE A 8 137.288 -4.884 0.910 1.00 0.00 C ATOM 120 O ILE A 8 137.623 -4.854 -0.274 1.00 0.00 O ATOM 121 CB ILE A 8 137.120 -7.293 1.548 1.00 0.00 C ATOM 122 CG1 ILE A 8 135.714 -7.282 2.152 1.00 0.00 C ATOM 123 CG2 ILE A 8 137.925 -8.465 2.089 1.00 0.00 C ATOM 124 CD1 ILE A 8 134.724 -6.454 1.361 1.00 0.00 C ATOM 0 H ILE A 8 137.014 -4.881 3.439 1.00 0.00 H new ATOM 0 HA ILE A 8 138.910 -6.074 1.655 1.00 0.00 H new ATOM 0 HB ILE A 8 137.030 -7.407 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 8 135.348 -8.306 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 8 135.767 -6.896 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 8 137.402 -9.397 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 8 138.907 -8.481 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 8 138.044 -8.358 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 8 133.749 -6.491 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 8 135.068 -5.421 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 8 134.642 -6.853 0.350 1.00 0.00 H new ATOM 136 N GLY A 9 136.438 -4.004 1.436 1.00 0.00 N ATOM 137 CA GLY A 9 135.861 -2.952 0.618 1.00 0.00 C ATOM 138 C GLY A 9 136.738 -1.714 0.551 1.00 0.00 C ATOM 139 O GLY A 9 137.650 -1.641 -0.273 1.00 0.00 O ATOM 0 H GLY A 9 136.140 -4.001 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.697 -3.331 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.885 -2.679 1.019 1.00 0.00 H new ATOM 143 N PRO A 10 136.490 -0.715 1.416 1.00 0.00 N ATOM 144 CA PRO A 10 137.279 0.520 1.441 1.00 0.00 C ATOM 145 C PRO A 10 138.748 0.247 1.737 1.00 0.00 C ATOM 146 O PRO A 10 139.634 0.959 1.266 1.00 0.00 O ATOM 147 CB PRO A 10 136.646 1.340 2.572 1.00 0.00 C ATOM 148 CG PRO A 10 135.888 0.353 3.392 1.00 0.00 C ATOM 149 CD PRO A 10 135.430 -0.711 2.438 1.00 0.00 C ATOM 0 HA PRO A 10 137.265 1.032 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 10 137.408 1.844 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.987 2.113 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 10 136.518 -0.070 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 10 135.039 0.826 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.338 -1.680 2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.456 -0.477 2.009 1.00 0.00 H new ATOM 157 N PHE A 11 138.995 -0.796 2.521 1.00 0.00 N ATOM 158 CA PHE A 11 140.348 -1.184 2.892 1.00 0.00 C ATOM 159 C PHE A 11 141.230 -1.366 1.660 1.00 0.00 C ATOM 160 O PHE A 11 142.450 -1.204 1.728 1.00 0.00 O ATOM 161 CB PHE A 11 140.308 -2.480 3.704 1.00 0.00 C ATOM 162 CG PHE A 11 141.645 -2.904 4.239 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.631 -3.374 3.386 1.00 0.00 C ATOM 164 CD2 PHE A 11 141.915 -2.832 5.596 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.861 -3.763 3.878 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.144 -3.221 6.094 1.00 0.00 C ATOM 167 CZ PHE A 11 144.119 -3.688 5.233 1.00 0.00 C ATOM 0 H PHE A 11 138.267 -1.392 2.915 1.00 0.00 H new ATOM 0 HA PHE A 11 140.778 -0.386 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.617 -2.354 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.909 -3.278 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 11 142.435 -3.437 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.156 -2.468 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.622 -4.126 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.342 -3.160 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.080 -3.994 5.619 1.00 0.00 H new ATOM 177 N THR A 12 140.609 -1.709 0.537 1.00 0.00 N ATOM 178 CA THR A 12 141.335 -1.922 -0.709 1.00 0.00 C ATOM 179 C THR A 12 141.426 -0.630 -1.521 1.00 0.00 C ATOM 180 O THR A 12 142.517 -0.115 -1.782 1.00 0.00 O ATOM 181 CB THR A 12 140.642 -3.009 -1.533 1.00 0.00 C ATOM 182 OG1 THR A 12 139.334 -3.254 -1.050 1.00 0.00 O ATOM 183 CG2 THR A 12 141.380 -4.332 -1.536 1.00 0.00 C ATOM 0 H THR A 12 139.601 -1.846 0.464 1.00 0.00 H new ATOM 0 HA THR A 12 142.348 -2.241 -0.465 1.00 0.00 H new ATOM 0 HB THR A 12 140.623 -2.619 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.770 -2.471 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 140.830 -5.054 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.376 -4.192 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.465 -4.703 -0.515 1.00 0.00 H new ATOM 191 N GLN A 13 140.271 -0.113 -1.922 1.00 0.00 N ATOM 192 CA GLN A 13 140.212 1.113 -2.710 1.00 0.00 C ATOM 193 C GLN A 13 140.960 2.255 -2.024 1.00 0.00 C ATOM 194 O GLN A 13 141.376 3.212 -2.676 1.00 0.00 O ATOM 195 CB GLN A 13 138.759 1.512 -2.961 1.00 0.00 C ATOM 196 CG GLN A 13 138.002 1.883 -1.696 1.00 0.00 C ATOM 197 CD GLN A 13 137.214 3.170 -1.842 1.00 0.00 C ATOM 198 OE1 GLN A 13 137.786 4.246 -2.015 1.00 0.00 O ATOM 199 NE2 GLN A 13 135.891 3.063 -1.775 1.00 0.00 N ATOM 0 H GLN A 13 139.361 -0.524 -1.714 1.00 0.00 H new ATOM 0 HA GLN A 13 140.700 0.918 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 138.737 2.357 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 13 138.244 0.687 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 13 137.321 1.073 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.708 1.985 -0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 13 135.460 2.150 -1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 13 135.307 3.894 -1.868 1.00 0.00 H new ATOM 208 N ASN A 14 141.128 2.156 -0.707 1.00 0.00 N ATOM 209 CA ASN A 14 141.826 3.185 0.047 1.00 0.00 C ATOM 210 C ASN A 14 143.247 3.355 -0.467 1.00 0.00 C ATOM 211 O ASN A 14 143.617 4.425 -0.951 1.00 0.00 O ATOM 212 CB ASN A 14 141.838 2.846 1.540 1.00 0.00 C ATOM 213 CG ASN A 14 140.773 3.602 2.311 1.00 0.00 C ATOM 214 OD1 ASN A 14 139.609 3.202 2.339 1.00 0.00 O ATOM 215 ND2 ASN A 14 141.166 4.701 2.943 1.00 0.00 N ATOM 0 H ASN A 14 140.790 1.375 -0.145 1.00 0.00 H new ATOM 0 HA ASN A 14 141.294 4.126 -0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 14 141.684 1.775 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.818 3.079 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.493 5.250 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 14 142.141 4.997 2.893 1.00 0.00 H new ATOM 222 N LEU A 15 144.038 2.290 -0.379 1.00 0.00 N ATOM 223 CA LEU A 15 145.412 2.335 -0.859 1.00 0.00 C ATOM 224 C LEU A 15 145.438 2.858 -2.289 1.00 0.00 C ATOM 225 O LEU A 15 146.383 3.531 -2.702 1.00 0.00 O ATOM 226 CB LEU A 15 146.051 0.947 -0.791 1.00 0.00 C ATOM 227 CG LEU A 15 147.571 0.920 -0.983 1.00 0.00 C ATOM 228 CD1 LEU A 15 147.938 1.270 -2.417 1.00 0.00 C ATOM 229 CD2 LEU A 15 148.247 1.874 -0.011 1.00 0.00 C ATOM 0 H LEU A 15 143.753 1.394 0.017 1.00 0.00 H new ATOM 0 HA LEU A 15 145.986 3.007 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.815 0.502 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.593 0.316 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 15 147.924 -0.090 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 15 149.022 1.245 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 15 147.485 0.547 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.571 2.269 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 149.326 1.842 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 147.886 2.888 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 15 148.014 1.577 1.012 1.00 0.00 H new ATOM 241 N GLY A 16 144.379 2.553 -3.035 1.00 0.00 N ATOM 242 CA GLY A 16 144.285 3.014 -4.405 1.00 0.00 C ATOM 243 C GLY A 16 144.296 4.526 -4.497 1.00 0.00 C ATOM 244 O GLY A 16 144.876 5.093 -5.423 1.00 0.00 O ATOM 0 H GLY A 16 143.587 1.996 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 16 145.117 2.610 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 16 143.369 2.630 -4.855 1.00 0.00 H new ATOM 248 N LYS A 17 143.659 5.185 -3.530 1.00 0.00 N ATOM 249 CA LYS A 17 143.610 6.641 -3.511 1.00 0.00 C ATOM 250 C LYS A 17 145.010 7.223 -3.335 1.00 0.00 C ATOM 251 O LYS A 17 145.487 7.993 -4.172 1.00 0.00 O ATOM 252 CB LYS A 17 142.692 7.129 -2.387 1.00 0.00 C ATOM 253 CG LYS A 17 141.461 7.870 -2.884 1.00 0.00 C ATOM 254 CD LYS A 17 140.178 7.184 -2.447 1.00 0.00 C ATOM 255 CE LYS A 17 139.108 8.194 -2.063 1.00 0.00 C ATOM 256 NZ LYS A 17 137.753 7.580 -2.022 1.00 0.00 N ATOM 0 H LYS A 17 143.173 4.734 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 17 143.209 6.983 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 17 142.375 6.273 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 17 143.258 7.785 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 17 141.474 8.892 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 17 141.488 7.932 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 139.809 6.551 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 17 140.384 6.531 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 17 139.344 8.619 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 17 139.112 9.017 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.207 7.889 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.841 6.544 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 137.263 7.878 -1.154 1.00 0.00 H new ATOM 270 N PHE A 18 145.666 6.844 -2.243 1.00 0.00 N ATOM 271 CA PHE A 18 147.014 7.321 -1.956 1.00 0.00 C ATOM 272 C PHE A 18 148.042 6.673 -2.882 1.00 0.00 C ATOM 273 O PHE A 18 149.208 7.067 -2.901 1.00 0.00 O ATOM 274 CB PHE A 18 147.375 7.045 -0.493 1.00 0.00 C ATOM 275 CG PHE A 18 147.488 8.288 0.342 1.00 0.00 C ATOM 276 CD1 PHE A 18 148.212 9.379 -0.111 1.00 0.00 C ATOM 277 CD2 PHE A 18 146.871 8.365 1.580 1.00 0.00 C ATOM 278 CE1 PHE A 18 148.319 10.525 0.655 1.00 0.00 C ATOM 279 CE2 PHE A 18 146.975 9.508 2.352 1.00 0.00 C ATOM 280 CZ PHE A 18 147.699 10.588 1.888 1.00 0.00 C ATOM 0 H PHE A 18 145.286 6.208 -1.542 1.00 0.00 H new ATOM 0 HA PHE A 18 147.032 8.397 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.619 6.392 -0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 18 148.321 6.505 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 18 148.699 9.334 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 18 146.302 7.523 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 18 148.886 11.369 0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 18 146.491 9.555 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 18 147.781 11.482 2.489 1.00 0.00 H new ATOM 290 N ALA A 19 147.606 5.680 -3.649 1.00 0.00 N ATOM 291 CA ALA A 19 148.488 4.985 -4.576 1.00 0.00 C ATOM 292 C ALA A 19 148.853 5.877 -5.757 1.00 0.00 C ATOM 293 O ALA A 19 150.026 6.033 -6.091 1.00 0.00 O ATOM 294 CB ALA A 19 147.837 3.700 -5.065 1.00 0.00 C ATOM 0 H ALA A 19 146.645 5.339 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 19 149.406 4.733 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 19 148.509 3.192 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 19 147.632 3.049 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.903 3.936 -5.574 1.00 0.00 H new ATOM 300 N VAL A 20 147.838 6.460 -6.385 1.00 0.00 N ATOM 301 CA VAL A 20 148.048 7.336 -7.529 1.00 0.00 C ATOM 302 C VAL A 20 148.694 8.651 -7.104 1.00 0.00 C ATOM 303 O VAL A 20 149.621 9.136 -7.755 1.00 0.00 O ATOM 304 CB VAL A 20 146.722 7.635 -8.260 1.00 0.00 C ATOM 305 CG1 VAL A 20 145.748 8.346 -7.335 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.974 8.456 -9.515 1.00 0.00 C ATOM 0 H VAL A 20 146.860 6.341 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 20 148.718 6.812 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 20 146.275 6.687 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 20 144.820 8.548 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 20 145.540 7.715 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 20 146.185 9.286 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 146.026 8.656 -10.015 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.447 9.400 -9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 20 147.629 7.902 -10.187 1.00 0.00 H new ATOM 316 N ASP A 21 148.205 9.223 -6.008 1.00 0.00 N ATOM 317 CA ASP A 21 148.745 10.481 -5.503 1.00 0.00 C ATOM 318 C ASP A 21 150.232 10.348 -5.199 1.00 0.00 C ATOM 319 O ASP A 21 151.006 11.279 -5.422 1.00 0.00 O ATOM 320 CB ASP A 21 147.992 10.919 -4.245 1.00 0.00 C ATOM 321 CG ASP A 21 146.633 11.514 -4.561 1.00 0.00 C ATOM 322 OD1 ASP A 21 146.043 11.130 -5.593 1.00 0.00 O ATOM 323 OD2 ASP A 21 146.159 12.363 -3.777 1.00 0.00 O ATOM 0 H ASP A 21 147.440 8.838 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 21 148.615 11.239 -6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 21 147.865 10.062 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 21 148.590 11.653 -3.704 1.00 0.00 H new ATOM 328 N GLU A 22 150.630 9.184 -4.699 1.00 0.00 N ATOM 329 CA GLU A 22 152.029 8.934 -4.380 1.00 0.00 C ATOM 330 C GLU A 22 152.717 8.147 -5.494 1.00 0.00 C ATOM 331 O GLU A 22 153.929 7.943 -5.462 1.00 0.00 O ATOM 332 CB GLU A 22 152.154 8.191 -3.053 1.00 0.00 C ATOM 333 CG GLU A 22 153.302 8.697 -2.192 1.00 0.00 C ATOM 334 CD GLU A 22 152.878 9.806 -1.248 1.00 0.00 C ATOM 335 OE1 GLU A 22 152.077 10.668 -1.664 1.00 0.00 O ATOM 336 OE2 GLU A 22 153.350 9.811 -0.090 1.00 0.00 O ATOM 0 H GLU A 22 150.005 8.401 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 22 152.527 9.899 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 22 151.221 8.290 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 22 152.296 7.128 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 22 153.710 7.868 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 154.102 9.060 -2.837 1.00 0.00 H new ATOM 343 N GLU A 23 151.941 7.717 -6.488 1.00 0.00 N ATOM 344 CA GLU A 23 152.491 6.969 -7.617 1.00 0.00 C ATOM 345 C GLU A 23 153.663 7.723 -8.236 1.00 0.00 C ATOM 346 O GLU A 23 154.540 7.128 -8.864 1.00 0.00 O ATOM 347 CB GLU A 23 151.405 6.735 -8.671 1.00 0.00 C ATOM 348 CG GLU A 23 151.906 6.039 -9.927 1.00 0.00 C ATOM 349 CD GLU A 23 150.792 5.731 -10.907 1.00 0.00 C ATOM 350 OE1 GLU A 23 149.724 6.374 -10.814 1.00 0.00 O ATOM 351 OE2 GLU A 23 150.985 4.847 -11.769 1.00 0.00 O ATOM 0 H GLU A 23 150.934 7.873 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 23 152.849 6.006 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.607 6.138 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 23 150.969 7.695 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 23 152.650 6.669 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 23 152.407 5.112 -9.649 1.00 0.00 H new ATOM 358 N ASN A 24 153.664 9.039 -8.056 1.00 0.00 N ATOM 359 CA ASN A 24 154.713 9.893 -8.592 1.00 0.00 C ATOM 360 C ASN A 24 156.013 9.775 -7.789 1.00 0.00 C ATOM 361 O ASN A 24 157.022 10.382 -8.149 1.00 0.00 O ATOM 362 CB ASN A 24 154.236 11.347 -8.600 1.00 0.00 C ATOM 363 CG ASN A 24 153.482 11.700 -9.867 1.00 0.00 C ATOM 364 OD1 ASN A 24 153.845 12.635 -10.581 1.00 0.00 O ATOM 365 ND2 ASN A 24 152.425 10.948 -10.153 1.00 0.00 N ATOM 0 H ASN A 24 152.942 9.540 -7.538 1.00 0.00 H new ATOM 0 HA ASN A 24 154.925 9.565 -9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 24 153.593 11.520 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 24 155.095 12.009 -8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 24 151.878 11.136 -10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 24 152.160 10.183 -9.532 1.00 0.00 H new ATOM 372 N LYS A 25 155.991 8.998 -6.707 1.00 0.00 N ATOM 373 CA LYS A 25 157.181 8.823 -5.876 1.00 0.00 C ATOM 374 C LYS A 25 158.124 7.779 -6.475 1.00 0.00 C ATOM 375 O LYS A 25 159.110 8.128 -7.125 1.00 0.00 O ATOM 376 CB LYS A 25 156.791 8.429 -4.446 1.00 0.00 C ATOM 377 CG LYS A 25 157.306 9.395 -3.391 1.00 0.00 C ATOM 378 CD LYS A 25 158.221 8.700 -2.395 1.00 0.00 C ATOM 379 CE LYS A 25 158.457 9.556 -1.162 1.00 0.00 C ATOM 380 NZ LYS A 25 159.100 8.783 -0.065 1.00 0.00 N ATOM 0 H LYS A 25 155.170 8.484 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 25 157.707 9.777 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 25 155.705 8.372 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 25 157.177 7.432 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 25 157.845 10.209 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 156.463 9.841 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 25 157.781 7.748 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 25 159.175 8.476 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 25 159.087 10.406 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 25 157.507 9.960 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 159.015 9.310 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 158.629 7.861 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 160.106 8.637 -0.287 1.00 0.00 H new ATOM 394 N ILE A 26 157.825 6.500 -6.254 1.00 0.00 N ATOM 395 CA ILE A 26 158.660 5.423 -6.776 1.00 0.00 C ATOM 396 C ILE A 26 158.850 5.551 -8.288 1.00 0.00 C ATOM 397 O ILE A 26 159.960 5.398 -8.798 1.00 0.00 O ATOM 398 CB ILE A 26 158.067 4.034 -6.443 1.00 0.00 C ATOM 399 CG1 ILE A 26 159.138 2.947 -6.582 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.866 3.724 -7.327 1.00 0.00 C ATOM 401 CD1 ILE A 26 159.573 2.690 -8.009 1.00 0.00 C ATOM 0 H ILE A 26 157.015 6.187 -5.720 1.00 0.00 H new ATOM 0 HA ILE A 26 159.632 5.512 -6.290 1.00 0.00 H new ATOM 0 HB ILE A 26 157.724 4.051 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 26 160.010 3.233 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 26 158.756 2.019 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.470 2.741 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 26 156.095 4.478 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 26 157.173 3.730 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 26 160.332 1.908 -8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 26 158.714 2.372 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 26 159.987 3.605 -8.434 1.00 0.00 H new ATOM 413 N GLY A 27 157.762 5.828 -8.997 1.00 0.00 N ATOM 414 CA GLY A 27 157.831 5.969 -10.441 1.00 0.00 C ATOM 415 C GLY A 27 157.869 7.418 -10.886 1.00 0.00 C ATOM 416 O GLY A 27 157.580 8.322 -10.103 1.00 0.00 O ATOM 0 H GLY A 27 156.832 5.958 -8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.719 5.456 -10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 27 156.969 5.477 -10.892 1.00 0.00 H new ATOM 420 N GLN A 28 158.225 7.636 -12.148 1.00 0.00 N ATOM 421 CA GLN A 28 158.297 8.984 -12.699 1.00 0.00 C ATOM 422 C GLN A 28 157.110 9.258 -13.616 1.00 0.00 C ATOM 423 O GLN A 28 156.650 10.394 -13.729 1.00 0.00 O ATOM 424 CB GLN A 28 159.606 9.174 -13.469 1.00 0.00 C ATOM 425 CG GLN A 28 160.836 8.719 -12.700 1.00 0.00 C ATOM 426 CD GLN A 28 161.453 7.460 -13.277 1.00 0.00 C ATOM 427 OE1 GLN A 28 160.750 6.500 -13.594 1.00 0.00 O ATOM 428 NE2 GLN A 28 162.773 7.459 -13.418 1.00 0.00 N ATOM 0 H GLN A 28 158.468 6.897 -12.808 1.00 0.00 H new ATOM 0 HA GLN A 28 158.266 9.692 -11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 28 159.549 8.622 -14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 28 159.717 10.228 -13.726 1.00 0.00 H new ATOM 0 HG2 GLN A 28 161.578 9.517 -12.704 1.00 0.00 H new ATOM 0 HG3 GLN A 28 160.564 8.542 -11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 28 163.316 8.277 -13.142 1.00 0.00 H new ATOM 0 HE22 GLN A 28 163.244 6.640 -13.802 1.00 0.00 H new ATOM 437 N TYR A 29 156.620 8.209 -14.270 1.00 0.00 N ATOM 438 CA TYR A 29 155.485 8.335 -15.177 1.00 0.00 C ATOM 439 C TYR A 29 154.167 8.187 -14.422 1.00 0.00 C ATOM 440 O TYR A 29 153.678 7.076 -14.221 1.00 0.00 O ATOM 441 CB TYR A 29 155.576 7.285 -16.287 1.00 0.00 C ATOM 442 CG TYR A 29 155.862 7.870 -17.652 1.00 0.00 C ATOM 443 CD1 TYR A 29 157.076 8.489 -17.921 1.00 0.00 C ATOM 444 CD2 TYR A 29 154.919 7.801 -18.670 1.00 0.00 C ATOM 445 CE1 TYR A 29 157.341 9.026 -19.168 1.00 0.00 C ATOM 446 CE2 TYR A 29 155.177 8.334 -19.918 1.00 0.00 C ATOM 447 CZ TYR A 29 156.389 8.945 -20.162 1.00 0.00 C ATOM 448 OH TYR A 29 156.649 9.477 -21.404 1.00 0.00 O ATOM 0 H TYR A 29 156.991 7.263 -14.188 1.00 0.00 H new ATOM 0 HA TYR A 29 155.515 9.329 -15.624 1.00 0.00 H new ATOM 0 HB2 TYR A 29 156.360 6.570 -16.036 1.00 0.00 H new ATOM 0 HB3 TYR A 29 154.639 6.730 -16.328 1.00 0.00 H new ATOM 0 HD1 TYR A 29 157.824 8.552 -17.145 1.00 0.00 H new ATOM 0 HD2 TYR A 29 153.969 7.323 -18.483 1.00 0.00 H new ATOM 0 HE1 TYR A 29 158.289 9.506 -19.362 1.00 0.00 H new ATOM 0 HE2 TYR A 29 154.433 8.273 -20.699 1.00 0.00 H new ATOM 0 HH TYR A 29 155.876 9.335 -21.989 1.00 0.00 H new ATOM 458 N GLY A 30 153.600 9.314 -14.008 1.00 0.00 N ATOM 459 CA GLY A 30 152.344 9.288 -13.281 1.00 0.00 C ATOM 460 C GLY A 30 151.138 9.303 -14.200 1.00 0.00 C ATOM 461 O GLY A 30 151.099 10.061 -15.171 1.00 0.00 O ATOM 0 H GLY A 30 153.987 10.245 -14.162 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.309 8.396 -12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 30 152.298 10.148 -12.612 1.00 0.00 H new ATOM 465 N ARG A 31 150.155 8.462 -13.898 1.00 0.00 N ATOM 466 CA ARG A 31 148.943 8.384 -14.705 1.00 0.00 C ATOM 467 C ARG A 31 147.775 7.842 -13.886 1.00 0.00 C ATOM 468 O ARG A 31 147.884 7.664 -12.672 1.00 0.00 O ATOM 469 CB ARG A 31 149.181 7.497 -15.931 1.00 0.00 C ATOM 470 CG ARG A 31 149.028 8.235 -17.251 1.00 0.00 C ATOM 471 CD ARG A 31 147.686 7.941 -17.905 1.00 0.00 C ATOM 472 NE ARG A 31 146.733 9.032 -17.714 1.00 0.00 N ATOM 473 CZ ARG A 31 146.742 10.156 -18.426 1.00 0.00 C ATOM 474 NH1 ARG A 31 147.649 10.341 -19.377 1.00 0.00 N ATOM 475 NH2 ARG A 31 145.839 11.097 -18.188 1.00 0.00 N ATOM 0 H ARG A 31 150.174 7.825 -13.101 1.00 0.00 H new ATOM 0 HA ARG A 31 148.690 9.391 -15.036 1.00 0.00 H new ATOM 0 HB2 ARG A 31 150.184 7.074 -15.874 1.00 0.00 H new ATOM 0 HB3 ARG A 31 148.481 6.662 -15.907 1.00 0.00 H new ATOM 0 HG2 ARG A 31 149.124 9.308 -17.082 1.00 0.00 H new ATOM 0 HG3 ARG A 31 149.833 7.945 -17.926 1.00 0.00 H new ATOM 0 HD2 ARG A 31 147.832 7.770 -18.972 1.00 0.00 H new ATOM 0 HD3 ARG A 31 147.273 7.022 -17.488 1.00 0.00 H new ATOM 0 HE ARG A 31 146.019 8.926 -16.993 1.00 0.00 H new ATOM 0 HH11 ARG A 31 148.345 9.619 -19.566 1.00 0.00 H new ATOM 0 HH12 ARG A 31 147.650 11.205 -19.919 1.00 0.00 H new ATOM 0 HH21 ARG A 31 145.138 10.959 -17.460 1.00 0.00 H new ATOM 0 HH22 ARG A 31 145.845 11.959 -18.733 1.00 0.00 H new ATOM 489 N LEU A 32 146.659 7.578 -14.558 1.00 0.00 N ATOM 490 CA LEU A 32 145.470 7.058 -13.894 1.00 0.00 C ATOM 491 C LEU A 32 145.649 5.584 -13.539 1.00 0.00 C ATOM 492 O LEU A 32 145.834 4.742 -14.418 1.00 0.00 O ATOM 493 CB LEU A 32 144.240 7.240 -14.784 1.00 0.00 C ATOM 494 CG LEU A 32 143.031 7.877 -14.096 1.00 0.00 C ATOM 495 CD1 LEU A 32 142.120 8.540 -15.117 1.00 0.00 C ATOM 496 CD2 LEU A 32 142.266 6.835 -13.293 1.00 0.00 C ATOM 0 H LEU A 32 146.554 7.716 -15.563 1.00 0.00 H new ATOM 0 HA LEU A 32 145.323 7.619 -12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 144.518 7.855 -15.640 1.00 0.00 H new ATOM 0 HB3 LEU A 32 143.945 6.266 -15.174 1.00 0.00 H new ATOM 0 HG LEU A 32 143.391 8.645 -13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 32 141.266 8.987 -14.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 142.672 9.315 -15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 141.767 7.794 -15.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 141.409 7.305 -12.810 1.00 0.00 H new ATOM 0 HD22 LEU A 32 141.919 6.045 -13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 32 142.921 6.408 -12.534 1.00 0.00 H new ATOM 508 N THR A 33 145.597 5.280 -12.247 1.00 0.00 N ATOM 509 CA THR A 33 145.755 3.911 -11.774 1.00 0.00 C ATOM 510 C THR A 33 144.527 3.459 -10.989 1.00 0.00 C ATOM 511 O THR A 33 144.626 2.619 -10.096 1.00 0.00 O ATOM 512 CB THR A 33 147.008 3.799 -10.899 1.00 0.00 C ATOM 513 OG1 THR A 33 147.620 5.066 -10.728 1.00 0.00 O ATOM 514 CG2 THR A 33 148.052 2.860 -11.465 1.00 0.00 C ATOM 0 H THR A 33 145.446 5.966 -11.507 1.00 0.00 H new ATOM 0 HA THR A 33 145.864 3.260 -12.642 1.00 0.00 H new ATOM 0 HB THR A 33 146.657 3.399 -9.948 1.00 0.00 H new ATOM 0 HG1 THR A 33 148.453 5.099 -11.244 1.00 0.00 H new ATOM 0 HG21 THR A 33 148.912 2.827 -10.797 1.00 0.00 H new ATOM 0 HG22 THR A 33 147.629 1.860 -11.561 1.00 0.00 H new ATOM 0 HG23 THR A 33 148.368 3.216 -12.446 1.00 0.00 H new ATOM 522 N PHE A 34 143.371 4.025 -11.326 1.00 0.00 N ATOM 523 CA PHE A 34 142.125 3.682 -10.649 1.00 0.00 C ATOM 524 C PHE A 34 141.246 2.790 -11.526 1.00 0.00 C ATOM 525 O PHE A 34 140.103 3.131 -11.831 1.00 0.00 O ATOM 526 CB PHE A 34 141.369 4.957 -10.260 1.00 0.00 C ATOM 527 CG PHE A 34 141.415 5.259 -8.790 1.00 0.00 C ATOM 528 CD1 PHE A 34 142.551 5.812 -8.219 1.00 0.00 C ATOM 529 CD2 PHE A 34 140.323 4.993 -7.981 1.00 0.00 C ATOM 530 CE1 PHE A 34 142.595 6.093 -6.867 1.00 0.00 C ATOM 531 CE2 PHE A 34 140.362 5.274 -6.627 1.00 0.00 C ATOM 532 CZ PHE A 34 141.499 5.824 -6.070 1.00 0.00 C ATOM 0 H PHE A 34 143.272 4.723 -12.063 1.00 0.00 H new ATOM 0 HA PHE A 34 142.372 3.125 -9.745 1.00 0.00 H new ATOM 0 HB2 PHE A 34 141.789 5.800 -10.809 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.328 4.861 -10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 34 143.410 6.025 -8.837 1.00 0.00 H new ATOM 0 HD2 PHE A 34 139.431 4.562 -8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 34 143.486 6.523 -6.433 1.00 0.00 H new ATOM 0 HE2 PHE A 34 139.504 5.063 -6.006 1.00 0.00 H new ATOM 0 HZ PHE A 34 141.532 6.044 -5.013 1.00 0.00 H new ATOM 542 N ASN A 35 141.784 1.642 -11.929 1.00 0.00 N ATOM 543 CA ASN A 35 141.041 0.706 -12.766 1.00 0.00 C ATOM 544 C ASN A 35 140.308 -0.324 -11.913 1.00 0.00 C ATOM 545 O ASN A 35 139.082 -0.428 -11.965 1.00 0.00 O ATOM 546 CB ASN A 35 141.982 0.002 -13.743 1.00 0.00 C ATOM 547 CG ASN A 35 141.295 -0.371 -15.042 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.640 0.459 -15.673 1.00 0.00 O ATOM 549 ND2 ASN A 35 141.440 -1.627 -15.450 1.00 0.00 N ATOM 0 H ASN A 35 142.728 1.339 -11.690 1.00 0.00 H new ATOM 0 HA ASN A 35 140.302 1.273 -13.332 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.830 0.652 -13.958 1.00 0.00 H new ATOM 0 HB3 ASN A 35 142.380 -0.898 -13.275 1.00 0.00 H new ATOM 0 HD21 ASN A 35 141.000 -1.936 -16.317 1.00 0.00 H new ATOM 0 HD22 ASN A 35 141.992 -2.283 -14.896 1.00 0.00 H new ATOM 556 N LYS A 36 141.065 -1.081 -11.125 1.00 0.00 N ATOM 557 CA LYS A 36 140.485 -2.103 -10.258 1.00 0.00 C ATOM 558 C LYS A 36 141.360 -2.335 -9.030 1.00 0.00 C ATOM 559 O LYS A 36 141.790 -3.456 -8.759 1.00 0.00 O ATOM 560 CB LYS A 36 140.299 -3.412 -11.028 1.00 0.00 C ATOM 561 CG LYS A 36 139.038 -3.444 -11.876 1.00 0.00 C ATOM 562 CD LYS A 36 138.769 -4.839 -12.417 1.00 0.00 C ATOM 563 CE LYS A 36 139.898 -5.312 -13.320 1.00 0.00 C ATOM 564 NZ LYS A 36 140.861 -6.182 -12.592 1.00 0.00 N ATOM 0 H LYS A 36 142.081 -1.007 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 36 139.510 -1.750 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 36 141.164 -3.571 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.272 -4.240 -10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.188 -3.113 -11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 36 139.137 -2.743 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 36 138.649 -5.536 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 36 137.831 -4.841 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 36 139.482 -5.859 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 36 140.424 -4.448 -13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 141.816 -5.777 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 140.584 -6.245 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 140.857 -7.133 -13.013 1.00 0.00 H new ATOM 578 N VAL A 37 141.617 -1.263 -8.290 1.00 0.00 N ATOM 579 CA VAL A 37 142.439 -1.340 -7.090 1.00 0.00 C ATOM 580 C VAL A 37 141.739 -2.145 -5.997 1.00 0.00 C ATOM 581 O VAL A 37 140.826 -1.643 -5.343 1.00 0.00 O ATOM 582 CB VAL A 37 142.764 0.072 -6.553 1.00 0.00 C ATOM 583 CG1 VAL A 37 143.258 0.016 -5.112 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.784 0.759 -7.452 1.00 0.00 C ATOM 0 H VAL A 37 141.267 -0.329 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 37 143.367 -1.842 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 37 141.845 0.658 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 37 143.478 1.025 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 37 142.488 -0.426 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.162 -0.591 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 144.003 1.753 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 37 144.701 0.170 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 37 143.379 0.847 -8.460 1.00 0.00 H new ATOM 594 N ILE A 38 142.178 -3.386 -5.792 1.00 0.00 N ATOM 595 CA ILE A 38 141.591 -4.240 -4.766 1.00 0.00 C ATOM 596 C ILE A 38 142.481 -5.467 -4.483 1.00 0.00 C ATOM 597 O ILE A 38 143.624 -5.321 -4.016 1.00 0.00 O ATOM 598 CB ILE A 38 140.160 -4.692 -5.163 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.121 -5.118 -6.632 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.151 -3.585 -4.903 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.289 -6.356 -6.881 1.00 0.00 C ATOM 0 H ILE A 38 142.935 -3.819 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 38 141.523 -3.650 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 38 139.891 -5.549 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 38 139.724 -4.297 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.139 -5.299 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.156 -3.925 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.157 -3.329 -3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.416 -2.706 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.307 -6.599 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 38 139.698 -7.190 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.261 -6.173 -6.568 1.00 0.00 H new ATOM 613 N LYS A 39 141.964 -6.671 -4.776 1.00 0.00 N ATOM 614 CA LYS A 39 142.707 -7.907 -4.570 1.00 0.00 C ATOM 615 C LYS A 39 142.987 -8.172 -3.093 1.00 0.00 C ATOM 616 O LYS A 39 142.988 -7.253 -2.275 1.00 0.00 O ATOM 617 CB LYS A 39 144.005 -7.857 -5.365 1.00 0.00 C ATOM 618 CG LYS A 39 143.816 -8.103 -6.854 1.00 0.00 C ATOM 619 CD LYS A 39 144.405 -9.435 -7.288 1.00 0.00 C ATOM 620 CE LYS A 39 144.611 -9.483 -8.794 1.00 0.00 C ATOM 621 NZ LYS A 39 145.407 -10.671 -9.205 1.00 0.00 N ATOM 0 H LYS A 39 141.028 -6.806 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 39 142.093 -8.734 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.471 -6.882 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 144.694 -8.601 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 39 142.753 -8.081 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 39 144.286 -7.297 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 145.358 -9.596 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 39 143.742 -10.245 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 39 143.642 -9.504 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 39 145.118 -8.575 -9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 145.555 -10.651 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 146.328 -10.656 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 144.895 -11.538 -8.946 1.00 0.00 H new ATOM 635 N PRO A 40 143.220 -9.452 -2.739 1.00 0.00 N ATOM 636 CA PRO A 40 143.495 -9.867 -1.359 1.00 0.00 C ATOM 637 C PRO A 40 144.487 -8.955 -0.650 1.00 0.00 C ATOM 638 O PRO A 40 145.697 -9.187 -0.682 1.00 0.00 O ATOM 639 CB PRO A 40 144.083 -11.265 -1.529 1.00 0.00 C ATOM 640 CG PRO A 40 143.436 -11.790 -2.765 1.00 0.00 C ATOM 641 CD PRO A 40 143.224 -10.602 -3.666 1.00 0.00 C ATOM 0 HA PRO A 40 142.599 -9.831 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 40 145.168 -11.230 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 40 143.865 -11.896 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 40 144.067 -12.537 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 40 142.488 -12.276 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 40 144.019 -10.515 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 40 142.284 -10.678 -4.213 1.00 0.00 H new ATOM 649 N CYS A 41 143.965 -7.914 -0.016 1.00 0.00 N ATOM 650 CA CYS A 41 144.800 -6.956 0.701 1.00 0.00 C ATOM 651 C CYS A 41 144.975 -7.343 2.166 1.00 0.00 C ATOM 652 O CYS A 41 144.334 -8.273 2.658 1.00 0.00 O ATOM 653 CB CYS A 41 144.185 -5.560 0.619 1.00 0.00 C ATOM 654 SG CYS A 41 144.402 -4.762 -0.982 1.00 0.00 S ATOM 0 H CYS A 41 142.966 -7.710 0.017 1.00 0.00 H new ATOM 0 HA CYS A 41 145.782 -6.960 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 41 143.120 -5.629 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.629 -4.932 1.391 1.00 0.00 H new ATOM 0 HG CYS A 41 143.848 -5.488 -1.907 1.00 0.00 H new ATOM 660 N MET A 42 145.846 -6.609 2.857 1.00 0.00 N ATOM 661 CA MET A 42 146.116 -6.849 4.271 1.00 0.00 C ATOM 662 C MET A 42 147.157 -5.857 4.789 1.00 0.00 C ATOM 663 O MET A 42 148.131 -5.550 4.103 1.00 0.00 O ATOM 664 CB MET A 42 146.597 -8.285 4.493 1.00 0.00 C ATOM 665 CG MET A 42 147.931 -8.596 3.835 1.00 0.00 C ATOM 666 SD MET A 42 147.745 -9.380 2.222 1.00 0.00 S ATOM 667 CE MET A 42 148.257 -11.053 2.598 1.00 0.00 C ATOM 0 H MET A 42 146.380 -5.838 2.455 1.00 0.00 H new ATOM 0 HA MET A 42 145.189 -6.706 4.826 1.00 0.00 H new ATOM 0 HB2 MET A 42 146.680 -8.469 5.564 1.00 0.00 H new ATOM 0 HB3 MET A 42 145.844 -8.973 4.109 1.00 0.00 H new ATOM 0 HG2 MET A 42 148.500 -7.673 3.722 1.00 0.00 H new ATOM 0 HG3 MET A 42 148.510 -9.250 4.488 1.00 0.00 H new ATOM 0 HE1 MET A 42 148.197 -11.663 1.697 1.00 0.00 H new ATOM 0 HE2 MET A 42 149.284 -11.046 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 42 147.603 -11.470 3.363 1.00 0.00 H new ATOM 677 N LYS A 43 146.940 -5.351 6.000 1.00 0.00 N ATOM 678 CA LYS A 43 147.858 -4.388 6.599 1.00 0.00 C ATOM 679 C LYS A 43 148.496 -4.951 7.867 1.00 0.00 C ATOM 680 O LYS A 43 148.162 -6.051 8.306 1.00 0.00 O ATOM 681 CB LYS A 43 147.122 -3.085 6.918 1.00 0.00 C ATOM 682 CG LYS A 43 146.076 -3.224 8.013 1.00 0.00 C ATOM 683 CD LYS A 43 146.604 -2.738 9.354 1.00 0.00 C ATOM 684 CE LYS A 43 146.757 -1.226 9.378 1.00 0.00 C ATOM 685 NZ LYS A 43 147.602 -0.771 10.516 1.00 0.00 N ATOM 0 H LYS A 43 146.139 -5.591 6.584 1.00 0.00 H new ATOM 0 HA LYS A 43 148.651 -4.185 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 43 147.850 -2.331 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 43 146.639 -2.720 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 43 145.187 -2.654 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 43 145.772 -4.267 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.925 -3.049 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 43 147.567 -3.205 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.200 -0.891 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 43 145.773 -0.763 9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 147.403 0.230 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 147.388 -1.343 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 148.606 -0.881 10.269 1.00 0.00 H new ATOM 699 N LYS A 44 149.417 -4.187 8.449 1.00 0.00 N ATOM 700 CA LYS A 44 150.104 -4.607 9.667 1.00 0.00 C ATOM 701 C LYS A 44 150.605 -3.399 10.454 1.00 0.00 C ATOM 702 O LYS A 44 151.683 -2.873 10.184 1.00 0.00 O ATOM 703 CB LYS A 44 151.277 -5.528 9.325 1.00 0.00 C ATOM 704 CG LYS A 44 150.867 -6.789 8.582 1.00 0.00 C ATOM 705 CD LYS A 44 152.061 -7.694 8.322 1.00 0.00 C ATOM 706 CE LYS A 44 151.639 -9.146 8.156 1.00 0.00 C ATOM 707 NZ LYS A 44 152.416 -10.054 9.045 1.00 0.00 N ATOM 0 H LYS A 44 149.705 -3.274 8.097 1.00 0.00 H new ATOM 0 HA LYS A 44 149.391 -5.152 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 44 151.995 -4.977 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 44 151.787 -5.809 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 44 150.120 -7.329 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 44 150.400 -6.519 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 44 152.582 -7.361 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 44 152.767 -7.612 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 44 150.576 -9.243 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 44 151.777 -9.448 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 152.099 -11.034 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 153.428 -9.981 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 152.264 -9.782 10.037 1.00 0.00 H new ATOM 721 N THR A 45 149.810 -2.961 11.428 1.00 0.00 N ATOM 722 CA THR A 45 150.166 -1.813 12.251 1.00 0.00 C ATOM 723 C THR A 45 151.517 -2.020 12.935 1.00 0.00 C ATOM 724 O THR A 45 152.044 -3.132 12.964 1.00 0.00 O ATOM 725 CB THR A 45 149.082 -1.552 13.301 1.00 0.00 C ATOM 726 OG1 THR A 45 147.945 -2.363 13.062 1.00 0.00 O ATOM 727 CG2 THR A 45 148.618 -0.112 13.335 1.00 0.00 C ATOM 0 H THR A 45 148.914 -3.386 11.665 1.00 0.00 H new ATOM 0 HA THR A 45 150.245 -0.945 11.596 1.00 0.00 H new ATOM 0 HB THR A 45 149.544 -1.792 14.259 1.00 0.00 H new ATOM 0 HG1 THR A 45 147.265 -2.182 13.744 1.00 0.00 H new ATOM 0 HG21 THR A 45 147.850 0.005 14.100 1.00 0.00 H new ATOM 0 HG22 THR A 45 149.463 0.537 13.566 1.00 0.00 H new ATOM 0 HG23 THR A 45 148.206 0.161 12.363 1.00 0.00 H new ATOM 735 N ILE A 46 152.070 -0.941 13.483 1.00 0.00 N ATOM 736 CA ILE A 46 153.359 -1.002 14.164 1.00 0.00 C ATOM 737 C ILE A 46 153.400 -0.058 15.360 1.00 0.00 C ATOM 738 O ILE A 46 153.895 1.065 15.266 1.00 0.00 O ATOM 739 CB ILE A 46 154.518 -0.646 13.212 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.376 -1.400 11.889 1.00 0.00 C ATOM 741 CG2 ILE A 46 155.855 -0.959 13.867 1.00 0.00 C ATOM 742 CD1 ILE A 46 153.528 -0.672 10.869 1.00 0.00 C ATOM 0 H ILE A 46 151.645 -0.014 13.468 1.00 0.00 H new ATOM 0 HA ILE A 46 153.479 -2.029 14.509 1.00 0.00 H new ATOM 0 HB ILE A 46 154.479 0.423 13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 46 155.367 -1.572 11.470 1.00 0.00 H new ATOM 0 HG13 ILE A 46 153.937 -2.379 12.083 1.00 0.00 H new ATOM 0 HG21 ILE A 46 156.664 -0.703 13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 46 155.956 -0.377 14.783 1.00 0.00 H new ATOM 0 HG23 ILE A 46 155.904 -2.022 14.105 1.00 0.00 H new ATOM 0 HD11 ILE A 46 153.470 -1.264 9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 46 152.525 -0.523 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 46 153.977 0.296 10.647 1.00 0.00 H new ATOM 754 N TYR A 47 152.883 -0.515 16.490 1.00 0.00 N ATOM 755 CA TYR A 47 152.874 0.301 17.697 1.00 0.00 C ATOM 756 C TYR A 47 153.789 -0.301 18.757 1.00 0.00 C ATOM 757 O TYR A 47 153.752 -1.504 19.014 1.00 0.00 O ATOM 758 CB TYR A 47 151.450 0.438 18.242 1.00 0.00 C ATOM 759 CG TYR A 47 150.883 -0.848 18.805 1.00 0.00 C ATOM 760 CD1 TYR A 47 150.478 -1.877 17.966 1.00 0.00 C ATOM 761 CD2 TYR A 47 150.756 -1.031 20.176 1.00 0.00 C ATOM 762 CE1 TYR A 47 149.960 -3.053 18.476 1.00 0.00 C ATOM 763 CE2 TYR A 47 150.241 -2.203 20.695 1.00 0.00 C ATOM 764 CZ TYR A 47 149.844 -3.210 19.841 1.00 0.00 C ATOM 765 OH TYR A 47 149.331 -4.380 20.353 1.00 0.00 O ATOM 0 H TYR A 47 152.467 -1.440 16.598 1.00 0.00 H new ATOM 0 HA TYR A 47 153.245 1.293 17.441 1.00 0.00 H new ATOM 0 HB2 TYR A 47 151.441 1.200 19.022 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.798 0.792 17.443 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.569 -1.757 16.897 1.00 0.00 H new ATOM 0 HD2 TYR A 47 151.065 -0.244 20.848 1.00 0.00 H new ATOM 0 HE1 TYR A 47 149.648 -3.844 17.810 1.00 0.00 H new ATOM 0 HE2 TYR A 47 150.150 -2.330 21.764 1.00 0.00 H new ATOM 0 HH TYR A 47 149.318 -4.331 21.332 1.00 0.00 H new ATOM 775 N GLU A 48 154.614 0.542 19.368 1.00 0.00 N ATOM 776 CA GLU A 48 155.542 0.089 20.398 1.00 0.00 C ATOM 777 C GLU A 48 154.810 -0.630 21.519 1.00 0.00 C ATOM 778 O GLU A 48 154.926 -1.843 21.683 1.00 0.00 O ATOM 779 CB GLU A 48 156.331 1.272 20.959 1.00 0.00 C ATOM 780 CG GLU A 48 157.629 0.868 21.642 1.00 0.00 C ATOM 781 CD GLU A 48 158.835 1.015 20.735 1.00 0.00 C ATOM 782 OE1 GLU A 48 158.768 0.549 19.578 1.00 0.00 O ATOM 783 OE2 GLU A 48 159.846 1.596 21.181 1.00 0.00 O ATOM 0 H GLU A 48 154.659 1.541 19.168 1.00 0.00 H new ATOM 0 HA GLU A 48 156.235 -0.616 19.939 1.00 0.00 H new ATOM 0 HB2 GLU A 48 156.557 1.965 20.148 1.00 0.00 H new ATOM 0 HB3 GLU A 48 155.706 1.809 21.673 1.00 0.00 H new ATOM 0 HG2 GLU A 48 157.772 1.480 22.533 1.00 0.00 H new ATOM 0 HG3 GLU A 48 157.553 -0.167 21.975 1.00 0.00 H new ATOM 790 N ASN A 49 154.061 0.140 22.278 1.00 0.00 N ATOM 791 CA ASN A 49 153.291 -0.390 23.397 1.00 0.00 C ATOM 792 C ASN A 49 152.455 0.710 24.037 1.00 0.00 C ATOM 793 O ASN A 49 151.232 0.601 24.134 1.00 0.00 O ATOM 794 CB ASN A 49 154.223 -1.013 24.438 1.00 0.00 C ATOM 795 CG ASN A 49 153.622 -2.243 25.090 1.00 0.00 C ATOM 796 OD1 ASN A 49 153.401 -2.273 26.300 1.00 0.00 O ATOM 797 ND2 ASN A 49 153.356 -3.268 24.287 1.00 0.00 N ATOM 0 H ASN A 49 153.964 1.146 22.143 1.00 0.00 H new ATOM 0 HA ASN A 49 152.622 -1.162 23.018 1.00 0.00 H new ATOM 0 HB2 ASN A 49 155.166 -1.282 23.963 1.00 0.00 H new ATOM 0 HB3 ASN A 49 154.452 -0.274 25.205 1.00 0.00 H new ATOM 0 HD21 ASN A 49 152.952 -4.123 24.669 1.00 0.00 H new ATOM 0 HD22 ASN A 49 153.556 -3.199 23.289 1.00 0.00 H new ATOM 804 N GLU A 50 153.124 1.774 24.466 1.00 0.00 N ATOM 805 CA GLU A 50 152.447 2.905 25.088 1.00 0.00 C ATOM 806 C GLU A 50 152.324 4.057 24.098 1.00 0.00 C ATOM 807 O GLU A 50 152.428 5.225 24.471 1.00 0.00 O ATOM 808 CB GLU A 50 153.207 3.361 26.334 1.00 0.00 C ATOM 809 CG GLU A 50 153.668 2.216 27.221 1.00 0.00 C ATOM 810 CD GLU A 50 153.650 2.573 28.693 1.00 0.00 C ATOM 811 OE1 GLU A 50 152.776 3.369 29.100 1.00 0.00 O ATOM 812 OE2 GLU A 50 154.508 2.059 29.440 1.00 0.00 O ATOM 0 H GLU A 50 154.136 1.877 24.394 1.00 0.00 H new ATOM 0 HA GLU A 50 151.447 2.589 25.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 154.076 3.943 26.026 1.00 0.00 H new ATOM 0 HB3 GLU A 50 152.568 4.025 26.916 1.00 0.00 H new ATOM 0 HG2 GLU A 50 153.026 1.351 27.053 1.00 0.00 H new ATOM 0 HG3 GLU A 50 154.678 1.924 26.934 1.00 0.00 H new ATOM 819 N ARG A 51 152.105 3.716 22.832 1.00 0.00 N ATOM 820 CA ARG A 51 151.973 4.715 21.777 1.00 0.00 C ATOM 821 C ARG A 51 153.302 5.422 21.535 1.00 0.00 C ATOM 822 O ARG A 51 153.384 6.650 21.594 1.00 0.00 O ATOM 823 CB ARG A 51 150.892 5.737 22.144 1.00 0.00 C ATOM 824 CG ARG A 51 150.059 6.195 20.959 1.00 0.00 C ATOM 825 CD ARG A 51 148.922 7.105 21.397 1.00 0.00 C ATOM 826 NE ARG A 51 148.471 7.979 20.316 1.00 0.00 N ATOM 827 CZ ARG A 51 147.371 8.725 20.377 1.00 0.00 C ATOM 828 NH1 ARG A 51 146.607 8.707 21.462 1.00 0.00 N ATOM 829 NH2 ARG A 51 147.034 9.494 19.350 1.00 0.00 N ATOM 0 H ARG A 51 152.015 2.752 22.511 1.00 0.00 H new ATOM 0 HA ARG A 51 151.680 4.206 20.859 1.00 0.00 H new ATOM 0 HB2 ARG A 51 150.232 5.301 22.894 1.00 0.00 H new ATOM 0 HB3 ARG A 51 151.366 6.606 22.602 1.00 0.00 H new ATOM 0 HG2 ARG A 51 150.695 6.722 20.248 1.00 0.00 H new ATOM 0 HG3 ARG A 51 149.653 5.326 20.441 1.00 0.00 H new ATOM 0 HD2 ARG A 51 148.086 6.498 21.745 1.00 0.00 H new ATOM 0 HD3 ARG A 51 149.249 7.712 22.241 1.00 0.00 H new ATOM 0 HE ARG A 51 149.032 8.019 19.465 1.00 0.00 H new ATOM 0 HH11 ARG A 51 146.862 8.119 22.255 1.00 0.00 H new ATOM 0 HH12 ARG A 51 145.765 9.281 21.502 1.00 0.00 H new ATOM 0 HH21 ARG A 51 147.618 9.513 18.514 1.00 0.00 H new ATOM 0 HH22 ARG A 51 146.191 10.066 19.396 1.00 0.00 H new ATOM 843 N GLU A 52 154.347 4.640 21.269 1.00 0.00 N ATOM 844 CA GLU A 52 155.672 5.198 21.027 1.00 0.00 C ATOM 845 C GLU A 52 155.875 5.521 19.553 1.00 0.00 C ATOM 846 O GLU A 52 156.628 6.432 19.204 1.00 0.00 O ATOM 847 CB GLU A 52 156.758 4.238 21.515 1.00 0.00 C ATOM 848 CG GLU A 52 157.892 4.928 22.255 1.00 0.00 C ATOM 849 CD GLU A 52 158.115 4.358 23.644 1.00 0.00 C ATOM 850 OE1 GLU A 52 157.145 3.848 24.240 1.00 0.00 O ATOM 851 OE2 GLU A 52 159.262 4.424 24.134 1.00 0.00 O ATOM 0 H GLU A 52 154.300 3.622 21.216 1.00 0.00 H new ATOM 0 HA GLU A 52 155.748 6.128 21.590 1.00 0.00 H new ATOM 0 HB2 GLU A 52 156.306 3.495 22.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 157.167 3.701 20.660 1.00 0.00 H new ATOM 0 HG2 GLU A 52 158.810 4.833 21.675 1.00 0.00 H new ATOM 0 HG3 GLU A 52 157.674 5.993 22.334 1.00 0.00 H new ATOM 858 N ILE A 53 155.197 4.778 18.697 1.00 0.00 N ATOM 859 CA ILE A 53 155.297 4.993 17.258 1.00 0.00 C ATOM 860 C ILE A 53 153.939 4.851 16.576 1.00 0.00 C ATOM 861 O ILE A 53 153.382 5.823 16.066 1.00 0.00 O ATOM 862 CB ILE A 53 156.358 4.062 16.615 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.498 4.343 15.114 1.00 0.00 C ATOM 864 CG2 ILE A 53 156.053 2.597 16.878 1.00 0.00 C ATOM 865 CD1 ILE A 53 155.352 3.822 14.270 1.00 0.00 C ATOM 0 H ILE A 53 154.571 4.020 18.969 1.00 0.00 H new ATOM 0 HA ILE A 53 155.632 6.019 17.105 1.00 0.00 H new ATOM 0 HB ILE A 53 157.316 4.280 17.087 1.00 0.00 H new ATOM 0 HG12 ILE A 53 156.583 5.419 14.965 1.00 0.00 H new ATOM 0 HG13 ILE A 53 157.427 3.897 14.758 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.818 1.977 16.412 1.00 0.00 H new ATOM 0 HG22 ILE A 53 156.043 2.415 17.953 1.00 0.00 H new ATOM 0 HG23 ILE A 53 155.078 2.347 16.459 1.00 0.00 H new ATOM 0 HD11 ILE A 53 155.532 4.064 13.223 1.00 0.00 H new ATOM 0 HD12 ILE A 53 155.278 2.741 14.385 1.00 0.00 H new ATOM 0 HD13 ILE A 53 154.421 4.286 14.595 1.00 0.00 H new ATOM 877 N LYS A 54 153.403 3.650 16.598 1.00 0.00 N ATOM 878 CA LYS A 54 152.097 3.370 16.011 1.00 0.00 C ATOM 879 C LYS A 54 152.070 3.632 14.505 1.00 0.00 C ATOM 880 O LYS A 54 151.411 4.559 14.036 1.00 0.00 O ATOM 881 CB LYS A 54 151.017 4.204 16.700 1.00 0.00 C ATOM 882 CG LYS A 54 149.636 3.571 16.647 1.00 0.00 C ATOM 883 CD LYS A 54 148.839 3.870 17.905 1.00 0.00 C ATOM 884 CE LYS A 54 149.414 3.152 19.115 1.00 0.00 C ATOM 885 NZ LYS A 54 148.430 3.064 20.229 1.00 0.00 N ATOM 0 H LYS A 54 153.853 2.838 17.020 1.00 0.00 H new ATOM 0 HA LYS A 54 151.898 2.310 16.165 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.298 4.358 17.742 1.00 0.00 H new ATOM 0 HB3 LYS A 54 150.975 5.188 16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.097 3.944 15.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 149.733 2.492 16.524 1.00 0.00 H new ATOM 0 HD2 LYS A 54 148.835 4.945 18.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 147.802 3.567 17.760 1.00 0.00 H new ATOM 0 HE2 LYS A 54 149.726 2.148 18.827 1.00 0.00 H new ATOM 0 HE3 LYS A 54 150.305 3.677 19.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 148.925 2.822 21.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 147.950 3.980 20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 147.727 2.329 20.014 1.00 0.00 H new ATOM 899 N GLY A 55 152.765 2.787 13.756 1.00 0.00 N ATOM 900 CA GLY A 55 152.790 2.914 12.310 1.00 0.00 C ATOM 901 C GLY A 55 151.844 1.920 11.669 1.00 0.00 C ATOM 902 O GLY A 55 151.158 1.177 12.367 1.00 0.00 O ATOM 0 H GLY A 55 153.315 2.011 14.125 1.00 0.00 H new ATOM 0 HA2 GLY A 55 152.509 3.928 12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 55 153.803 2.749 11.943 1.00 0.00 H new ATOM 906 N TYR A 56 151.802 1.895 10.345 1.00 0.00 N ATOM 907 CA TYR A 56 150.928 0.964 9.647 1.00 0.00 C ATOM 908 C TYR A 56 151.397 0.724 8.222 1.00 0.00 C ATOM 909 O TYR A 56 151.376 1.627 7.386 1.00 0.00 O ATOM 910 CB TYR A 56 149.481 1.465 9.651 1.00 0.00 C ATOM 911 CG TYR A 56 149.334 2.945 9.377 1.00 0.00 C ATOM 912 CD1 TYR A 56 149.344 3.436 8.078 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.177 3.848 10.420 1.00 0.00 C ATOM 914 CE1 TYR A 56 149.204 4.789 7.826 1.00 0.00 C ATOM 915 CE2 TYR A 56 149.036 5.202 10.177 1.00 0.00 C ATOM 916 CZ TYR A 56 149.049 5.666 8.878 1.00 0.00 C ATOM 917 OH TYR A 56 148.910 7.012 8.632 1.00 0.00 O ATOM 0 H TYR A 56 152.355 2.500 9.739 1.00 0.00 H new ATOM 0 HA TYR A 56 150.970 0.015 10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.915 0.911 8.902 1.00 0.00 H new ATOM 0 HB3 TYR A 56 149.034 1.241 10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 56 149.463 2.751 7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 56 149.165 3.487 11.438 1.00 0.00 H new ATOM 0 HE1 TYR A 56 149.216 5.156 6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 56 148.916 5.892 10.999 1.00 0.00 H new ATOM 0 HH TYR A 56 148.810 7.491 9.481 1.00 0.00 H new ATOM 927 N GLU A 57 151.810 -0.508 7.951 1.00 0.00 N ATOM 928 CA GLU A 57 152.272 -0.879 6.622 1.00 0.00 C ATOM 929 C GLU A 57 151.110 -1.447 5.813 1.00 0.00 C ATOM 930 O GLU A 57 150.566 -2.499 6.147 1.00 0.00 O ATOM 931 CB GLU A 57 153.408 -1.899 6.708 1.00 0.00 C ATOM 932 CG GLU A 57 153.121 -3.056 7.651 1.00 0.00 C ATOM 933 CD GLU A 57 153.912 -4.302 7.299 1.00 0.00 C ATOM 934 OE1 GLU A 57 155.115 -4.353 7.629 1.00 0.00 O ATOM 935 OE2 GLU A 57 153.326 -5.225 6.695 1.00 0.00 O ATOM 0 H GLU A 57 151.834 -1.265 8.634 1.00 0.00 H new ATOM 0 HA GLU A 57 152.654 0.012 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 57 153.605 -2.294 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 57 154.316 -1.392 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 57 153.357 -2.756 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 57 152.056 -3.286 7.625 1.00 0.00 H new ATOM 942 N TYR A 58 150.720 -0.734 4.765 1.00 0.00 N ATOM 943 CA TYR A 58 149.602 -1.159 3.928 1.00 0.00 C ATOM 944 C TYR A 58 150.077 -1.824 2.640 1.00 0.00 C ATOM 945 O TYR A 58 150.564 -1.158 1.725 1.00 0.00 O ATOM 946 CB TYR A 58 148.716 0.044 3.597 1.00 0.00 C ATOM 947 CG TYR A 58 147.278 -0.116 4.033 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.957 -0.311 5.370 1.00 0.00 C ATOM 949 CD2 TYR A 58 146.243 -0.066 3.109 1.00 0.00 C ATOM 950 CE1 TYR A 58 145.642 -0.451 5.774 1.00 0.00 C ATOM 951 CE2 TYR A 58 144.926 -0.205 3.505 1.00 0.00 C ATOM 952 CZ TYR A 58 144.631 -0.397 4.837 1.00 0.00 C ATOM 953 OH TYR A 58 143.322 -0.533 5.236 1.00 0.00 O ATOM 0 H TYR A 58 151.159 0.139 4.473 1.00 0.00 H new ATOM 0 HA TYR A 58 149.029 -1.897 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 58 149.133 0.932 4.073 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.742 0.217 2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 58 147.747 -0.354 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.471 0.084 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 58 145.408 -0.602 6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 58 144.132 -0.163 2.774 1.00 0.00 H new ATOM 0 HH TYR A 58 143.022 -1.450 5.066 1.00 0.00 H new ATOM 963 N GLN A 59 149.902 -3.139 2.565 1.00 0.00 N ATOM 964 CA GLN A 59 150.279 -3.900 1.380 1.00 0.00 C ATOM 965 C GLN A 59 149.023 -4.291 0.611 1.00 0.00 C ATOM 966 O GLN A 59 148.289 -5.191 1.023 1.00 0.00 O ATOM 967 CB GLN A 59 151.071 -5.150 1.770 1.00 0.00 C ATOM 968 CG GLN A 59 151.635 -5.909 0.581 1.00 0.00 C ATOM 969 CD GLN A 59 152.455 -7.116 0.996 1.00 0.00 C ATOM 970 OE1 GLN A 59 153.685 -7.086 0.966 1.00 0.00 O ATOM 971 NE2 GLN A 59 151.774 -8.188 1.386 1.00 0.00 N ATOM 0 H GLN A 59 149.500 -3.702 3.315 1.00 0.00 H new ATOM 0 HA GLN A 59 150.914 -3.280 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 59 151.891 -4.860 2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.424 -5.816 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 59 150.815 -6.234 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 59 152.257 -5.238 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 59 150.754 -8.169 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 59 152.271 -9.030 1.676 1.00 0.00 H new ATOM 980 N LEU A 60 148.758 -3.596 -0.491 1.00 0.00 N ATOM 981 CA LEU A 60 147.573 -3.859 -1.281 1.00 0.00 C ATOM 982 C LEU A 60 147.920 -4.315 -2.694 1.00 0.00 C ATOM 983 O LEU A 60 149.046 -4.137 -3.154 1.00 0.00 O ATOM 984 CB LEU A 60 146.685 -2.610 -1.339 1.00 0.00 C ATOM 985 CG LEU A 60 146.153 -2.078 0.008 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.691 -1.680 -0.120 1.00 0.00 C ATOM 987 CD2 LEU A 60 146.320 -3.092 1.136 1.00 0.00 C ATOM 0 H LEU A 60 149.351 -2.848 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 60 147.030 -4.669 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 60 147.250 -1.812 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 145.831 -2.828 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 60 146.748 -1.201 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 60 144.330 -1.307 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.591 -0.899 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.102 -2.548 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 60 145.931 -2.672 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.771 -4.002 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 147.377 -3.328 1.260 1.00 0.00 H new ATOM 999 N TYR A 61 146.935 -4.890 -3.384 1.00 0.00 N ATOM 1000 CA TYR A 61 147.127 -5.355 -4.745 1.00 0.00 C ATOM 1001 C TYR A 61 146.247 -4.538 -5.680 1.00 0.00 C ATOM 1002 O TYR A 61 145.134 -4.936 -6.027 1.00 0.00 O ATOM 1003 CB TYR A 61 146.804 -6.844 -4.842 1.00 0.00 C ATOM 1004 CG TYR A 61 147.924 -7.737 -4.362 1.00 0.00 C ATOM 1005 CD1 TYR A 61 148.950 -8.122 -5.216 1.00 0.00 C ATOM 1006 CD2 TYR A 61 147.955 -8.194 -3.051 1.00 0.00 C ATOM 1007 CE1 TYR A 61 149.974 -8.939 -4.776 1.00 0.00 C ATOM 1008 CE2 TYR A 61 148.975 -9.011 -2.603 1.00 0.00 C ATOM 1009 CZ TYR A 61 149.983 -9.381 -3.470 1.00 0.00 C ATOM 1010 OH TYR A 61 151.002 -10.193 -3.028 1.00 0.00 O ATOM 0 H TYR A 61 145.996 -5.042 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 61 148.168 -5.222 -5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 61 145.908 -7.052 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.572 -7.091 -5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 61 148.947 -7.777 -6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 61 147.168 -7.906 -2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 61 150.764 -9.230 -5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 61 148.984 -9.358 -1.580 1.00 0.00 H new ATOM 0 HH TYR A 61 150.859 -10.413 -2.084 1.00 0.00 H new ATOM 1020 N VAL A 62 146.750 -3.369 -6.046 1.00 0.00 N ATOM 1021 CA VAL A 62 146.017 -2.453 -6.902 1.00 0.00 C ATOM 1022 C VAL A 62 146.014 -2.899 -8.361 1.00 0.00 C ATOM 1023 O VAL A 62 146.954 -2.631 -9.111 1.00 0.00 O ATOM 1024 CB VAL A 62 146.584 -1.023 -6.800 1.00 0.00 C ATOM 1025 CG1 VAL A 62 146.266 -0.418 -5.442 1.00 0.00 C ATOM 1026 CG2 VAL A 62 148.084 -1.017 -7.040 1.00 0.00 C ATOM 0 H VAL A 62 147.669 -3.032 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 62 144.987 -2.458 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 62 146.110 -0.417 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 62 146.674 0.591 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 62 145.185 -0.380 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 62 146.710 -1.031 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 62 148.461 0.003 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 62 148.574 -1.642 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 62 148.295 -1.407 -8.036 1.00 0.00 H new ATOM 1036 N TYR A 63 144.934 -3.558 -8.764 1.00 0.00 N ATOM 1037 CA TYR A 63 144.785 -4.015 -10.140 1.00 0.00 C ATOM 1038 C TYR A 63 144.328 -2.845 -11.001 1.00 0.00 C ATOM 1039 O TYR A 63 143.130 -2.645 -11.198 1.00 0.00 O ATOM 1040 CB TYR A 63 143.759 -5.153 -10.205 1.00 0.00 C ATOM 1041 CG TYR A 63 143.914 -6.075 -11.395 1.00 0.00 C ATOM 1042 CD1 TYR A 63 144.229 -5.577 -12.654 1.00 0.00 C ATOM 1043 CD2 TYR A 63 143.732 -7.445 -11.259 1.00 0.00 C ATOM 1044 CE1 TYR A 63 144.360 -6.421 -13.742 1.00 0.00 C ATOM 1045 CE2 TYR A 63 143.860 -8.295 -12.342 1.00 0.00 C ATOM 1046 CZ TYR A 63 144.174 -7.777 -13.580 1.00 0.00 C ATOM 1047 OH TYR A 63 144.301 -8.618 -14.662 1.00 0.00 O ATOM 0 H TYR A 63 144.148 -3.788 -8.156 1.00 0.00 H new ATOM 0 HA TYR A 63 145.739 -4.389 -10.510 1.00 0.00 H new ATOM 0 HB2 TYR A 63 143.833 -5.744 -9.292 1.00 0.00 H new ATOM 0 HB3 TYR A 63 142.758 -4.721 -10.225 1.00 0.00 H new ATOM 0 HD1 TYR A 63 144.374 -4.515 -12.785 1.00 0.00 H new ATOM 0 HD2 TYR A 63 143.486 -7.854 -10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 63 144.607 -6.019 -14.714 1.00 0.00 H new ATOM 0 HE2 TYR A 63 143.715 -9.358 -12.219 1.00 0.00 H new ATOM 0 HH TYR A 63 144.140 -9.542 -14.379 1.00 0.00 H new ATOM 1057 N ALA A 64 145.279 -2.050 -11.492 1.00 0.00 N ATOM 1058 CA ALA A 64 144.926 -0.882 -12.299 1.00 0.00 C ATOM 1059 C ALA A 64 145.053 -1.151 -13.791 1.00 0.00 C ATOM 1060 O ALA A 64 145.259 -2.290 -14.214 1.00 0.00 O ATOM 1061 CB ALA A 64 145.783 0.309 -11.908 1.00 0.00 C ATOM 0 H ALA A 64 146.279 -2.188 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 64 143.879 -0.657 -12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.509 1.170 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.622 0.543 -10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.834 0.070 -12.070 1.00 0.00 H new ATOM 1067 N SER A 65 144.925 -0.085 -14.584 1.00 0.00 N ATOM 1068 CA SER A 65 145.020 -0.181 -16.039 1.00 0.00 C ATOM 1069 C SER A 65 146.161 -1.106 -16.441 1.00 0.00 C ATOM 1070 O SER A 65 146.020 -1.930 -17.345 1.00 0.00 O ATOM 1071 CB SER A 65 145.228 1.206 -16.649 1.00 0.00 C ATOM 1072 OG SER A 65 144.781 2.222 -15.770 1.00 0.00 O ATOM 0 H SER A 65 144.754 0.859 -14.238 1.00 0.00 H new ATOM 0 HA SER A 65 144.086 -0.597 -16.418 1.00 0.00 H new ATOM 0 HB2 SER A 65 146.285 1.353 -16.873 1.00 0.00 H new ATOM 0 HB3 SER A 65 144.689 1.276 -17.594 1.00 0.00 H new ATOM 0 HG SER A 65 145.510 2.856 -15.605 1.00 0.00 H new ATOM 1078 N ASP A 66 147.288 -0.973 -15.749 1.00 0.00 N ATOM 1079 CA ASP A 66 148.444 -1.807 -16.016 1.00 0.00 C ATOM 1080 C ASP A 66 148.071 -3.270 -15.886 1.00 0.00 C ATOM 1081 O ASP A 66 148.087 -4.023 -16.858 1.00 0.00 O ATOM 1082 CB ASP A 66 149.585 -1.466 -15.054 1.00 0.00 C ATOM 1083 CG ASP A 66 150.875 -2.174 -15.413 1.00 0.00 C ATOM 1084 OD1 ASP A 66 150.810 -3.340 -15.859 1.00 0.00 O ATOM 1085 OD2 ASP A 66 151.953 -1.564 -15.247 1.00 0.00 O ATOM 0 H ASP A 66 147.421 -0.294 -15.000 1.00 0.00 H new ATOM 0 HA ASP A 66 148.782 -1.617 -17.035 1.00 0.00 H new ATOM 0 HB2 ASP A 66 149.751 -0.389 -15.060 1.00 0.00 H new ATOM 0 HB3 ASP A 66 149.295 -1.738 -14.039 1.00 0.00 H new ATOM 1090 N LYS A 67 147.724 -3.648 -14.671 1.00 0.00 N ATOM 1091 CA LYS A 67 147.322 -5.019 -14.356 1.00 0.00 C ATOM 1092 C LYS A 67 147.317 -5.232 -12.851 1.00 0.00 C ATOM 1093 O LYS A 67 147.461 -4.276 -12.090 1.00 0.00 O ATOM 1094 CB LYS A 67 148.268 -6.024 -15.022 1.00 0.00 C ATOM 1095 CG LYS A 67 147.695 -6.637 -16.287 1.00 0.00 C ATOM 1096 CD LYS A 67 147.894 -8.144 -16.319 1.00 0.00 C ATOM 1097 CE LYS A 67 149.369 -8.511 -16.338 1.00 0.00 C ATOM 1098 NZ LYS A 67 149.575 -9.982 -16.443 1.00 0.00 N ATOM 0 H LYS A 67 147.710 -3.018 -13.869 1.00 0.00 H new ATOM 0 HA LYS A 67 146.315 -5.179 -14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.207 -5.526 -15.261 1.00 0.00 H new ATOM 0 HB3 LYS A 67 148.500 -6.819 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 146.631 -6.408 -16.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 148.172 -6.188 -17.158 1.00 0.00 H new ATOM 0 HD2 LYS A 67 147.417 -8.594 -15.448 1.00 0.00 H new ATOM 0 HD3 LYS A 67 147.404 -8.558 -17.200 1.00 0.00 H new ATOM 0 HE2 LYS A 67 149.855 -8.016 -17.178 1.00 0.00 H new ATOM 0 HE3 LYS A 67 149.847 -8.142 -15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 150.594 -10.190 -16.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 149.133 -10.453 -15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 149.142 -10.331 -17.322 1.00 0.00 H new ATOM 1112 N LEU A 68 147.170 -6.486 -12.426 1.00 0.00 N ATOM 1113 CA LEU A 68 147.181 -6.811 -11.002 1.00 0.00 C ATOM 1114 C LEU A 68 148.516 -6.381 -10.415 1.00 0.00 C ATOM 1115 O LEU A 68 149.393 -7.206 -10.156 1.00 0.00 O ATOM 1116 CB LEU A 68 146.968 -8.311 -10.786 1.00 0.00 C ATOM 1117 CG LEU A 68 147.901 -9.218 -11.591 1.00 0.00 C ATOM 1118 CD1 LEU A 68 148.413 -10.361 -10.728 1.00 0.00 C ATOM 1119 CD2 LEU A 68 147.190 -9.755 -12.823 1.00 0.00 C ATOM 0 H LEU A 68 147.043 -7.288 -13.043 1.00 0.00 H new ATOM 0 HA LEU A 68 146.368 -6.283 -10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 68 147.096 -8.532 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 68 145.937 -8.557 -11.041 1.00 0.00 H new ATOM 0 HG LEU A 68 148.756 -8.627 -11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 68 149.075 -10.995 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 68 148.961 -9.957 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 68 147.570 -10.952 -10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 68 147.869 -10.398 -13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 68 146.316 -10.329 -12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 68 146.875 -8.923 -13.453 1.00 0.00 H new ATOM 1131 N PHE A 69 148.675 -5.076 -10.257 1.00 0.00 N ATOM 1132 CA PHE A 69 149.911 -4.508 -9.760 1.00 0.00 C ATOM 1133 C PHE A 69 149.811 -4.159 -8.277 1.00 0.00 C ATOM 1134 O PHE A 69 148.905 -3.449 -7.846 1.00 0.00 O ATOM 1135 CB PHE A 69 150.278 -3.305 -10.642 1.00 0.00 C ATOM 1136 CG PHE A 69 149.929 -1.953 -10.099 1.00 0.00 C ATOM 1137 CD1 PHE A 69 150.677 -1.379 -9.089 1.00 0.00 C ATOM 1138 CD2 PHE A 69 148.870 -1.244 -10.634 1.00 0.00 C ATOM 1139 CE1 PHE A 69 150.371 -0.118 -8.620 1.00 0.00 C ATOM 1140 CE2 PHE A 69 148.554 0.014 -10.167 1.00 0.00 C ATOM 1141 CZ PHE A 69 149.307 0.581 -9.159 1.00 0.00 C ATOM 0 H PHE A 69 147.953 -4.387 -10.469 1.00 0.00 H new ATOM 0 HA PHE A 69 150.715 -5.241 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 69 151.352 -3.332 -10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 149.784 -3.424 -11.606 1.00 0.00 H new ATOM 0 HD1 PHE A 69 151.508 -1.922 -8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 69 148.283 -1.681 -11.428 1.00 0.00 H new ATOM 0 HE1 PHE A 69 150.963 0.323 -7.832 1.00 0.00 H new ATOM 0 HE2 PHE A 69 147.719 0.554 -10.589 1.00 0.00 H new ATOM 0 HZ PHE A 69 149.066 1.568 -8.792 1.00 0.00 H new ATOM 1151 N ARG A 70 150.742 -4.709 -7.501 1.00 0.00 N ATOM 1152 CA ARG A 70 150.774 -4.514 -6.063 1.00 0.00 C ATOM 1153 C ARG A 70 151.361 -3.159 -5.682 1.00 0.00 C ATOM 1154 O ARG A 70 152.115 -2.555 -6.442 1.00 0.00 O ATOM 1155 CB ARG A 70 151.584 -5.641 -5.410 1.00 0.00 C ATOM 1156 CG ARG A 70 151.870 -5.429 -3.930 1.00 0.00 C ATOM 1157 CD ARG A 70 152.301 -6.720 -3.254 1.00 0.00 C ATOM 1158 NE ARG A 70 153.447 -7.334 -3.920 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.711 -6.969 -3.713 1.00 0.00 C ATOM 1160 NH1 ARG A 70 154.997 -5.990 -2.865 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.691 -7.587 -4.357 1.00 0.00 N ATOM 0 H ARG A 70 151.493 -5.301 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 70 149.747 -4.536 -5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 70 151.044 -6.580 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 70 152.531 -5.746 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 70 152.651 -4.678 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.978 -5.040 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 70 152.553 -6.517 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 70 151.467 -7.422 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 70 153.268 -8.088 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.247 -5.512 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 70 155.967 -5.716 -2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 70 155.476 -8.341 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 70 156.660 -7.309 -4.200 1.00 0.00 H new ATOM 1175 N ALA A 71 151.017 -2.702 -4.482 1.00 0.00 N ATOM 1176 CA ALA A 71 151.514 -1.435 -3.969 1.00 0.00 C ATOM 1177 C ALA A 71 151.800 -1.564 -2.482 1.00 0.00 C ATOM 1178 O ALA A 71 151.115 -2.311 -1.784 1.00 0.00 O ATOM 1179 CB ALA A 71 150.514 -0.318 -4.233 1.00 0.00 C ATOM 0 H ALA A 71 150.392 -3.196 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 71 152.440 -1.181 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 71 150.905 0.621 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.350 -0.223 -5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.570 -0.551 -3.741 1.00 0.00 H new ATOM 1185 N ASP A 72 152.815 -0.861 -1.988 1.00 0.00 N ATOM 1186 CA ASP A 72 153.148 -0.960 -0.574 1.00 0.00 C ATOM 1187 C ASP A 72 153.379 0.409 0.045 1.00 0.00 C ATOM 1188 O ASP A 72 153.930 1.310 -0.586 1.00 0.00 O ATOM 1189 CB ASP A 72 154.387 -1.837 -0.380 1.00 0.00 C ATOM 1190 CG ASP A 72 154.358 -2.597 0.932 1.00 0.00 C ATOM 1191 OD1 ASP A 72 153.660 -2.145 1.865 1.00 0.00 O ATOM 1192 OD2 ASP A 72 155.033 -3.643 1.026 1.00 0.00 O ATOM 0 H ASP A 72 153.407 -0.232 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 72 152.299 -1.418 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.460 -2.545 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 155.280 -1.213 -0.415 1.00 0.00 H new ATOM 1197 N ILE A 73 152.955 0.549 1.293 1.00 0.00 N ATOM 1198 CA ILE A 73 153.112 1.795 2.020 1.00 0.00 C ATOM 1199 C ILE A 73 153.361 1.522 3.495 1.00 0.00 C ATOM 1200 O ILE A 73 152.739 0.644 4.086 1.00 0.00 O ATOM 1201 CB ILE A 73 151.871 2.697 1.872 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.656 2.061 2.549 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.587 2.958 0.403 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.423 2.936 2.525 1.00 0.00 C ATOM 0 H ILE A 73 152.497 -0.192 1.824 1.00 0.00 H new ATOM 0 HA ILE A 73 153.970 2.314 1.593 1.00 0.00 H new ATOM 0 HB ILE A 73 152.073 3.649 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 150.430 1.115 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.907 1.829 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.708 3.596 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 73 152.445 3.454 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 73 151.404 2.012 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 73 148.601 2.421 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 73 149.631 3.872 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.146 3.147 1.492 1.00 0.00 H new ATOM 1216 N SER A 74 154.274 2.278 4.082 1.00 0.00 N ATOM 1217 CA SER A 74 154.604 2.117 5.491 1.00 0.00 C ATOM 1218 C SER A 74 154.721 3.469 6.166 1.00 0.00 C ATOM 1219 O SER A 74 155.384 4.373 5.659 1.00 0.00 O ATOM 1220 CB SER A 74 155.909 1.334 5.649 1.00 0.00 C ATOM 1221 OG SER A 74 156.875 1.754 4.700 1.00 0.00 O ATOM 0 H SER A 74 154.801 3.010 3.606 1.00 0.00 H new ATOM 0 HA SER A 74 153.801 1.557 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.300 1.473 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.714 0.268 5.527 1.00 0.00 H new ATOM 0 HG SER A 74 157.700 1.240 4.823 1.00 0.00 H new ATOM 1227 N GLU A 75 154.065 3.606 7.309 1.00 0.00 N ATOM 1228 CA GLU A 75 154.090 4.855 8.047 1.00 0.00 C ATOM 1229 C GLU A 75 154.812 4.668 9.382 1.00 0.00 C ATOM 1230 O GLU A 75 154.511 3.743 10.134 1.00 0.00 O ATOM 1231 CB GLU A 75 152.652 5.356 8.257 1.00 0.00 C ATOM 1232 CG GLU A 75 152.378 5.947 9.630 1.00 0.00 C ATOM 1233 CD GLU A 75 153.045 7.293 9.832 1.00 0.00 C ATOM 1234 OE1 GLU A 75 154.139 7.505 9.268 1.00 0.00 O ATOM 1235 OE2 GLU A 75 152.472 8.139 10.551 1.00 0.00 O ATOM 0 H GLU A 75 153.511 2.868 7.743 1.00 0.00 H new ATOM 0 HA GLU A 75 154.638 5.604 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 152.431 6.110 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 75 151.965 4.526 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 75 151.302 6.055 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 75 152.728 5.254 10.395 1.00 0.00 H new ATOM 1242 N ASP A 76 155.759 5.552 9.670 1.00 0.00 N ATOM 1243 CA ASP A 76 156.510 5.485 10.905 1.00 0.00 C ATOM 1244 C ASP A 76 156.201 6.682 11.797 1.00 0.00 C ATOM 1245 O ASP A 76 155.500 7.608 11.389 1.00 0.00 O ATOM 1246 CB ASP A 76 158.009 5.416 10.615 1.00 0.00 C ATOM 1247 CG ASP A 76 158.532 3.993 10.608 1.00 0.00 C ATOM 1248 OD1 ASP A 76 158.119 3.205 11.484 1.00 0.00 O ATOM 1249 OD2 ASP A 76 159.354 3.668 9.726 1.00 0.00 O ATOM 0 H ASP A 76 156.022 6.325 9.058 1.00 0.00 H new ATOM 0 HA ASP A 76 156.212 4.579 11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 76 158.211 5.879 9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 76 158.548 5.995 11.365 1.00 0.00 H new ATOM 1254 N TYR A 77 156.735 6.661 13.013 1.00 0.00 N ATOM 1255 CA TYR A 77 156.521 7.749 13.960 1.00 0.00 C ATOM 1256 C TYR A 77 157.734 7.939 14.867 1.00 0.00 C ATOM 1257 O TYR A 77 157.635 8.521 15.948 1.00 0.00 O ATOM 1258 CB TYR A 77 155.262 7.502 14.785 1.00 0.00 C ATOM 1259 CG TYR A 77 154.070 8.290 14.296 1.00 0.00 C ATOM 1260 CD1 TYR A 77 154.008 9.667 14.465 1.00 0.00 C ATOM 1261 CD2 TYR A 77 153.008 7.657 13.661 1.00 0.00 C ATOM 1262 CE1 TYR A 77 152.918 10.391 14.017 1.00 0.00 C ATOM 1263 CE2 TYR A 77 151.917 8.373 13.211 1.00 0.00 C ATOM 1264 CZ TYR A 77 151.876 9.739 13.392 1.00 0.00 C ATOM 1265 OH TYR A 77 150.790 10.457 12.944 1.00 0.00 O ATOM 0 H TYR A 77 157.319 5.903 13.366 1.00 0.00 H new ATOM 0 HA TYR A 77 156.385 8.668 13.390 1.00 0.00 H new ATOM 0 HB2 TYR A 77 155.022 6.439 14.761 1.00 0.00 H new ATOM 0 HB3 TYR A 77 155.460 7.761 15.825 1.00 0.00 H new ATOM 0 HD1 TYR A 77 154.823 10.180 14.954 1.00 0.00 H new ATOM 0 HD2 TYR A 77 153.037 6.587 13.517 1.00 0.00 H new ATOM 0 HE1 TYR A 77 152.883 11.461 14.156 1.00 0.00 H new ATOM 0 HE2 TYR A 77 151.100 7.866 12.720 1.00 0.00 H new ATOM 0 HH TYR A 77 150.145 9.849 12.526 1.00 0.00 H new ATOM 1275 N LYS A 78 158.885 7.480 14.390 1.00 0.00 N ATOM 1276 CA LYS A 78 160.143 7.625 15.108 1.00 0.00 C ATOM 1277 C LYS A 78 161.005 8.592 14.318 1.00 0.00 C ATOM 1278 O LYS A 78 162.197 8.374 14.115 1.00 0.00 O ATOM 1279 CB LYS A 78 160.844 6.273 15.261 1.00 0.00 C ATOM 1280 CG LYS A 78 161.925 6.267 16.330 1.00 0.00 C ATOM 1281 CD LYS A 78 161.392 5.751 17.658 1.00 0.00 C ATOM 1282 CE LYS A 78 161.920 6.566 18.826 1.00 0.00 C ATOM 1283 NZ LYS A 78 160.948 6.619 19.953 1.00 0.00 N ATOM 0 H LYS A 78 158.971 6.998 13.495 1.00 0.00 H new ATOM 0 HA LYS A 78 159.965 8.005 16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 78 160.101 5.513 15.503 1.00 0.00 H new ATOM 0 HB3 LYS A 78 161.288 5.993 14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 78 162.757 5.644 16.004 1.00 0.00 H new ATOM 0 HG3 LYS A 78 162.315 7.276 16.461 1.00 0.00 H new ATOM 0 HD2 LYS A 78 160.303 5.786 17.652 1.00 0.00 H new ATOM 0 HD3 LYS A 78 161.677 4.706 17.784 1.00 0.00 H new ATOM 0 HE2 LYS A 78 162.857 6.134 19.176 1.00 0.00 H new ATOM 0 HE3 LYS A 78 162.142 7.579 18.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 161.347 7.184 20.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 160.062 7.055 19.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 160.755 5.654 20.291 1.00 0.00 H new ATOM 1297 N THR A 79 160.327 9.639 13.846 1.00 0.00 N ATOM 1298 CA THR A 79 160.891 10.703 13.014 1.00 0.00 C ATOM 1299 C THR A 79 160.103 10.765 11.700 1.00 0.00 C ATOM 1300 O THR A 79 160.656 11.045 10.636 1.00 0.00 O ATOM 1301 CB THR A 79 162.388 10.497 12.734 1.00 0.00 C ATOM 1302 OG1 THR A 79 163.143 10.556 13.935 1.00 0.00 O ATOM 1303 CG2 THR A 79 162.968 11.528 11.791 1.00 0.00 C ATOM 0 H THR A 79 159.335 9.774 14.039 1.00 0.00 H new ATOM 0 HA THR A 79 160.805 11.646 13.555 1.00 0.00 H new ATOM 0 HB THR A 79 162.456 9.513 12.269 1.00 0.00 H new ATOM 0 HG1 THR A 79 163.153 9.672 14.359 1.00 0.00 H new ATOM 0 HG21 THR A 79 164.028 11.324 11.636 1.00 0.00 H new ATOM 0 HG22 THR A 79 162.446 11.481 10.835 1.00 0.00 H new ATOM 0 HG23 THR A 79 162.849 12.522 12.221 1.00 0.00 H new ATOM 1311 N ARG A 80 158.797 10.482 11.796 1.00 0.00 N ATOM 1312 CA ARG A 80 157.892 10.480 10.648 1.00 0.00 C ATOM 1313 C ARG A 80 158.537 9.852 9.417 1.00 0.00 C ATOM 1314 O ARG A 80 158.975 10.550 8.502 1.00 0.00 O ATOM 1315 CB ARG A 80 157.398 11.898 10.345 1.00 0.00 C ATOM 1316 CG ARG A 80 158.504 12.887 10.008 1.00 0.00 C ATOM 1317 CD ARG A 80 158.036 13.920 8.996 1.00 0.00 C ATOM 1318 NE ARG A 80 157.569 13.300 7.757 1.00 0.00 N ATOM 1319 CZ ARG A 80 158.373 12.718 6.870 1.00 0.00 C ATOM 1320 NH1 ARG A 80 159.683 12.675 7.078 1.00 0.00 N ATOM 1321 NH2 ARG A 80 157.865 12.176 5.772 1.00 0.00 N ATOM 0 H ARG A 80 158.341 10.248 12.678 1.00 0.00 H new ATOM 0 HA ARG A 80 157.032 9.864 10.911 1.00 0.00 H new ATOM 0 HB2 ARG A 80 156.698 11.856 9.511 1.00 0.00 H new ATOM 0 HB3 ARG A 80 156.845 12.270 11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 80 158.834 13.390 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 80 159.365 12.350 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 80 157.232 14.514 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 80 158.854 14.605 8.773 1.00 0.00 H new ATOM 0 HE ARG A 80 156.568 13.314 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 80 160.079 13.089 7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 80 160.294 12.227 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 80 156.859 12.205 5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 80 158.480 11.730 5.092 1.00 0.00 H new ATOM 1335 N GLY A 81 158.583 8.525 9.403 1.00 0.00 N ATOM 1336 CA GLY A 81 159.167 7.811 8.285 1.00 0.00 C ATOM 1337 C GLY A 81 158.118 7.147 7.414 1.00 0.00 C ATOM 1338 O GLY A 81 158.183 5.946 7.157 1.00 0.00 O ATOM 0 H GLY A 81 158.225 7.929 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 81 159.752 8.504 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 81 159.856 7.054 8.660 1.00 0.00 H new ATOM 1342 N ARG A 82 157.149 7.934 6.957 1.00 0.00 N ATOM 1343 CA ARG A 82 156.082 7.420 6.106 1.00 0.00 C ATOM 1344 C ARG A 82 156.511 7.449 4.645 1.00 0.00 C ATOM 1345 O ARG A 82 157.356 8.256 4.258 1.00 0.00 O ATOM 1346 CB ARG A 82 154.809 8.245 6.294 1.00 0.00 C ATOM 1347 CG ARG A 82 153.549 7.529 5.839 1.00 0.00 C ATOM 1348 CD ARG A 82 153.245 7.805 4.376 1.00 0.00 C ATOM 1349 NE ARG A 82 151.821 8.040 4.148 1.00 0.00 N ATOM 1350 CZ ARG A 82 151.213 9.199 4.388 1.00 0.00 C ATOM 1351 NH1 ARG A 82 151.898 10.231 4.864 1.00 0.00 N ATOM 1352 NH2 ARG A 82 149.913 9.327 4.154 1.00 0.00 N ATOM 0 H ARG A 82 157.081 8.931 7.162 1.00 0.00 H new ATOM 0 HA ARG A 82 155.878 6.388 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 82 154.708 8.507 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 82 154.906 9.179 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 82 153.665 6.456 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 82 152.707 7.849 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 82 153.813 8.674 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 82 153.574 6.960 3.772 1.00 0.00 H new ATOM 0 HE ARG A 82 151.260 7.270 3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 82 152.897 10.139 5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 82 151.426 11.117 5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 82 149.380 8.537 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 82 149.447 10.215 4.338 1.00 0.00 H new ATOM 1366 N LYS A 83 155.931 6.568 3.829 1.00 0.00 N ATOM 1367 CA LYS A 83 156.285 6.528 2.415 1.00 0.00 C ATOM 1368 C LYS A 83 155.492 5.491 1.619 1.00 0.00 C ATOM 1369 O LYS A 83 155.282 4.364 2.066 1.00 0.00 O ATOM 1370 CB LYS A 83 157.782 6.246 2.255 1.00 0.00 C ATOM 1371 CG LYS A 83 158.241 4.985 2.973 1.00 0.00 C ATOM 1372 CD LYS A 83 159.121 4.119 2.084 1.00 0.00 C ATOM 1373 CE LYS A 83 160.246 3.469 2.874 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.043 2.000 3.025 1.00 0.00 N ATOM 0 H LYS A 83 155.229 5.887 4.117 1.00 0.00 H new ATOM 0 HA LYS A 83 156.032 7.508 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 83 158.016 6.156 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 83 158.347 7.097 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.791 5.259 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.371 4.412 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 83 158.514 3.347 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 83 159.542 4.728 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 83 161.196 3.654 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.311 3.930 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 160.831 1.595 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 159.149 1.823 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 160.007 1.556 2.085 1.00 0.00 H new ATOM 1388 N LEU A 84 155.099 5.890 0.408 1.00 0.00 N ATOM 1389 CA LEU A 84 154.375 5.020 -0.516 1.00 0.00 C ATOM 1390 C LEU A 84 155.223 4.849 -1.772 1.00 0.00 C ATOM 1391 O LEU A 84 155.870 5.801 -2.212 1.00 0.00 O ATOM 1392 CB LEU A 84 153.007 5.609 -0.883 1.00 0.00 C ATOM 1393 CG LEU A 84 152.429 6.613 0.117 1.00 0.00 C ATOM 1394 CD1 LEU A 84 151.094 7.154 -0.377 1.00 0.00 C ATOM 1395 CD2 LEU A 84 152.272 5.969 1.484 1.00 0.00 C ATOM 0 H LEU A 84 155.274 6.826 0.042 1.00 0.00 H new ATOM 0 HA LEU A 84 154.198 4.057 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 84 153.091 6.098 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 84 152.298 4.789 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 84 153.123 7.448 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 84 150.699 7.866 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 84 151.236 7.653 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 84 150.390 6.331 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 84 151.860 6.696 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 84 151.598 5.115 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 84 153.245 5.633 1.842 1.00 0.00 H new ATOM 1407 N LEU A 85 155.262 3.645 -2.335 1.00 0.00 N ATOM 1408 CA LEU A 85 156.094 3.416 -3.515 1.00 0.00 C ATOM 1409 C LEU A 85 155.662 2.196 -4.320 1.00 0.00 C ATOM 1410 O LEU A 85 155.084 2.333 -5.397 1.00 0.00 O ATOM 1411 CB LEU A 85 157.549 3.247 -3.078 1.00 0.00 C ATOM 1412 CG LEU A 85 157.725 2.719 -1.653 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.955 1.829 -1.558 1.00 0.00 C ATOM 1414 CD2 LEU A 85 157.832 3.876 -0.668 1.00 0.00 C ATOM 0 H LEU A 85 154.743 2.831 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 85 155.980 4.284 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 158.046 2.566 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 85 158.054 4.209 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 85 156.849 2.123 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 85 159.062 1.464 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.845 0.983 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.841 2.402 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.957 3.484 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 85 158.691 4.495 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 85 156.924 4.478 -0.714 1.00 0.00 H new ATOM 1426 N ARG A 86 155.979 1.003 -3.801 1.00 0.00 N ATOM 1427 CA ARG A 86 155.662 -0.260 -4.473 1.00 0.00 C ATOM 1428 C ARG A 86 154.503 -0.105 -5.452 1.00 0.00 C ATOM 1429 O ARG A 86 153.410 0.309 -5.071 1.00 0.00 O ATOM 1430 CB ARG A 86 155.352 -1.343 -3.439 1.00 0.00 C ATOM 1431 CG ARG A 86 156.527 -2.261 -3.145 1.00 0.00 C ATOM 1432 CD ARG A 86 156.596 -3.416 -4.128 1.00 0.00 C ATOM 1433 NE ARG A 86 157.814 -4.206 -3.958 1.00 0.00 N ATOM 1434 CZ ARG A 86 158.313 -5.013 -4.891 1.00 0.00 C ATOM 1435 NH1 ARG A 86 157.699 -5.148 -6.061 1.00 0.00 N ATOM 1436 NH2 ARG A 86 159.428 -5.690 -4.655 1.00 0.00 N ATOM 0 H ARG A 86 156.460 0.888 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 86 156.537 -0.559 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.033 -0.867 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.514 -1.943 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 86 157.455 -1.690 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.440 -2.651 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 86 155.725 -4.058 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 86 156.554 -3.029 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 86 158.312 -4.134 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 86 156.840 -4.631 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 86 158.087 -5.768 -6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 86 159.904 -5.592 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 86 159.810 -6.309 -5.370 1.00 0.00 H new ATOM 1450 N PHE A 87 154.770 -0.419 -6.719 1.00 0.00 N ATOM 1451 CA PHE A 87 153.771 -0.302 -7.776 1.00 0.00 C ATOM 1452 C PHE A 87 153.931 -1.431 -8.798 1.00 0.00 C ATOM 1453 O PHE A 87 154.182 -1.185 -9.978 1.00 0.00 O ATOM 1454 CB PHE A 87 153.909 1.060 -8.472 1.00 0.00 C ATOM 1455 CG PHE A 87 152.728 1.971 -8.278 1.00 0.00 C ATOM 1456 CD1 PHE A 87 152.406 2.455 -7.021 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.943 2.346 -9.358 1.00 0.00 C ATOM 1458 CE1 PHE A 87 151.324 3.295 -6.843 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.860 3.186 -9.185 1.00 0.00 C ATOM 1460 CZ PHE A 87 150.550 3.661 -7.926 1.00 0.00 C ATOM 0 H PHE A 87 155.677 -0.759 -7.038 1.00 0.00 H new ATOM 0 HA PHE A 87 152.780 -0.380 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.804 1.558 -8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 87 154.057 0.897 -9.540 1.00 0.00 H new ATOM 0 HD1 PHE A 87 153.008 2.172 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.181 1.977 -10.345 1.00 0.00 H new ATOM 0 HE1 PHE A 87 151.084 3.665 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 87 150.256 3.471 -10.034 1.00 0.00 H new ATOM 0 HZ PHE A 87 149.704 4.318 -7.789 1.00 0.00 H new ATOM 1470 N ASN A 88 153.787 -2.672 -8.337 1.00 0.00 N ATOM 1471 CA ASN A 88 153.915 -3.837 -9.210 1.00 0.00 C ATOM 1472 C ASN A 88 153.826 -5.128 -8.404 1.00 0.00 C ATOM 1473 O ASN A 88 154.246 -5.180 -7.246 1.00 0.00 O ATOM 1474 CB ASN A 88 155.244 -3.791 -9.974 1.00 0.00 C ATOM 1475 CG ASN A 88 155.063 -4.019 -11.462 1.00 0.00 C ATOM 1476 OD1 ASN A 88 154.342 -4.926 -11.879 1.00 0.00 O ATOM 1477 ND2 ASN A 88 155.715 -3.192 -12.271 1.00 0.00 N ATOM 0 H ASN A 88 153.582 -2.897 -7.363 1.00 0.00 H new ATOM 0 HA ASN A 88 153.093 -3.815 -9.926 1.00 0.00 H new ATOM 0 HB2 ASN A 88 155.720 -2.824 -9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 88 155.917 -4.548 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 88 155.629 -3.295 -13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 88 156.302 -2.454 -11.881 1.00 0.00 H new ATOM 1484 N GLY A 89 153.280 -6.171 -9.021 1.00 0.00 N ATOM 1485 CA GLY A 89 153.145 -7.447 -8.344 1.00 0.00 C ATOM 1486 C GLY A 89 153.569 -8.614 -9.216 1.00 0.00 C ATOM 1487 O GLY A 89 153.488 -8.536 -10.443 1.00 0.00 O ATOM 0 H GLY A 89 152.929 -6.155 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 89 153.747 -7.438 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 89 152.108 -7.584 -8.037 1.00 0.00 H new ATOM 1491 N PRO A 90 154.028 -9.722 -8.608 1.00 0.00 N ATOM 1492 CA PRO A 90 154.464 -10.909 -9.353 1.00 0.00 C ATOM 1493 C PRO A 90 153.409 -11.388 -10.343 1.00 0.00 C ATOM 1494 O PRO A 90 152.212 -11.175 -10.145 1.00 0.00 O ATOM 1495 CB PRO A 90 154.685 -11.955 -8.259 1.00 0.00 C ATOM 1496 CG PRO A 90 154.970 -11.164 -7.028 1.00 0.00 C ATOM 1497 CD PRO A 90 154.161 -9.903 -7.150 1.00 0.00 C ATOM 0 HA PRO A 90 155.351 -10.710 -9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 90 153.804 -12.584 -8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 90 155.516 -12.616 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 90 154.692 -11.721 -6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 90 156.033 -10.939 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 90 153.189 -10.001 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 90 154.664 -9.056 -6.684 1.00 0.00 H new ATOM 1505 N VAL A 91 153.859 -12.038 -11.412 1.00 0.00 N ATOM 1506 CA VAL A 91 152.954 -12.547 -12.435 1.00 0.00 C ATOM 1507 C VAL A 91 152.692 -14.038 -12.243 1.00 0.00 C ATOM 1508 O VAL A 91 153.585 -14.731 -11.714 1.00 0.00 O ATOM 1509 CB VAL A 91 153.515 -12.313 -13.850 1.00 0.00 C ATOM 1510 CG1 VAL A 91 153.629 -10.825 -14.140 1.00 0.00 C ATOM 1511 CG2 VAL A 91 154.863 -13.004 -14.015 1.00 0.00 C ATOM 1512 OXT VAL A 91 151.596 -14.498 -12.624 1.00 0.00 O ATOM 0 H VAL A 91 154.846 -12.224 -11.592 1.00 0.00 H new ATOM 0 HA VAL A 91 152.018 -11.999 -12.330 1.00 0.00 H new ATOM 0 HB VAL A 91 152.822 -12.747 -14.571 1.00 0.00 H new ATOM 0 HG11 VAL A 91 154.027 -10.679 -15.144 1.00 0.00 H new ATOM 0 HG12 VAL A 91 152.644 -10.364 -14.070 1.00 0.00 H new ATOM 0 HG13 VAL A 91 154.298 -10.363 -13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 91 155.242 -12.826 -15.021 1.00 0.00 H new ATOM 0 HG22 VAL A 91 155.568 -12.605 -13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 91 154.744 -14.076 -13.856 1.00 0.00 H new TER 1522 VAL A 91