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 43 LYS NZ :NH3+ -117:sc= -1.09 (180deg=-4.06!) USER MOD Set 1.2: A 45 THR OG1 : rot -170:sc= -0.141 USER MOD Set 2.1: A 35 ASN : amide:sc= -1.27 K(o=-0.46,f=-2.4) USER MOD Set 2.2: A 65 SER OG : rot 75:sc= 0.808 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 13 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.084) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.43 F(o=-1.8,f=-0.43) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.409 (180deg=-1.57!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.241 (180deg=-1.01) USER MOD Single : A 41 CYS SG : rot -84:sc= -6.57! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= -0.43 (180deg=-2.05!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.065) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 90:sc= 0.664 USER MOD Single : A 58 TYR OH : rot 94:sc= 0.853 USER MOD Single : A 59 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.035) 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 13:sc= 0.337! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.112 (180deg=-0.508) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 152.913 -7.483 12.472 1.00 0.00 N ATOM 2 CA GLY A 1 152.333 -6.378 13.284 1.00 0.00 C ATOM 3 C GLY A 1 151.036 -6.773 13.961 1.00 0.00 C ATOM 4 O GLY A 1 150.891 -7.902 14.430 1.00 0.00 O ATOM 0 H1 GLY A 1 153.798 -7.162 12.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 153.109 -8.299 13.086 1.00 0.00 H new ATOM 0 H3 GLY A 1 152.238 -7.761 11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 153.055 -6.070 14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 152.156 -5.515 12.643 1.00 0.00 H new ATOM 10 N GLU A 2 150.090 -5.841 14.015 1.00 0.00 N ATOM 11 CA GLU A 2 148.798 -6.095 14.641 1.00 0.00 C ATOM 12 C GLU A 2 147.658 -5.802 13.669 1.00 0.00 C ATOM 13 O GLU A 2 147.893 -5.464 12.509 1.00 0.00 O ATOM 14 CB GLU A 2 148.642 -5.244 15.901 1.00 0.00 C ATOM 15 CG GLU A 2 149.228 -5.889 17.148 1.00 0.00 C ATOM 16 CD GLU A 2 148.331 -5.735 18.361 1.00 0.00 C ATOM 17 OE1 GLU A 2 148.079 -4.581 18.770 1.00 0.00 O ATOM 18 OE2 GLU A 2 147.881 -6.765 18.901 1.00 0.00 O ATOM 0 H GLU A 2 150.195 -4.901 13.632 1.00 0.00 H new ATOM 0 HA GLU A 2 148.755 -7.149 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 2 149.124 -4.280 15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 2 147.583 -5.047 16.067 1.00 0.00 H new ATOM 0 HG2 GLU A 2 149.398 -6.949 16.959 1.00 0.00 H new ATOM 0 HG3 GLU A 2 150.200 -5.443 17.361 1.00 0.00 H new ATOM 25 N TRP A 3 146.426 -5.933 14.151 1.00 0.00 N ATOM 26 CA TRP A 3 145.243 -5.682 13.331 1.00 0.00 C ATOM 27 C TRP A 3 145.120 -6.709 12.209 1.00 0.00 C ATOM 28 O TRP A 3 144.232 -7.561 12.231 1.00 0.00 O ATOM 29 CB TRP A 3 145.284 -4.270 12.740 1.00 0.00 C ATOM 30 CG TRP A 3 145.237 -3.172 13.765 1.00 0.00 C ATOM 31 CD1 TRP A 3 145.435 -1.841 13.531 1.00 0.00 C ATOM 32 CD2 TRP A 3 144.980 -3.296 15.176 1.00 0.00 C ATOM 33 NE1 TRP A 3 145.316 -1.131 14.699 1.00 0.00 N ATOM 34 CE2 TRP A 3 145.039 -1.998 15.721 1.00 0.00 C ATOM 35 CE3 TRP A 3 144.705 -4.371 16.032 1.00 0.00 C ATOM 36 CZ2 TRP A 3 144.833 -1.748 17.076 1.00 0.00 C ATOM 37 CZ3 TRP A 3 144.503 -4.117 17.377 1.00 0.00 C ATOM 38 CH2 TRP A 3 144.567 -2.817 17.885 1.00 0.00 C ATOM 0 H TRP A 3 146.219 -6.213 15.110 1.00 0.00 H new ATOM 0 HA TRP A 3 144.370 -5.771 13.978 1.00 0.00 H new ATOM 0 HB2 TRP A 3 146.194 -4.162 12.149 1.00 0.00 H new ATOM 0 HB3 TRP A 3 144.444 -4.150 12.056 1.00 0.00 H new ATOM 0 HD1 TRP A 3 145.654 -1.409 12.565 1.00 0.00 H new ATOM 0 HE1 TRP A 3 145.418 -0.120 14.791 1.00 0.00 H new ATOM 0 HE3 TRP A 3 144.652 -5.379 15.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 144.882 -0.745 17.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 144.292 -4.938 18.046 1.00 0.00 H new ATOM 0 HH2 TRP A 3 144.403 -2.653 18.940 1.00 0.00 H new ATOM 49 N GLU A 4 146.013 -6.623 11.224 1.00 0.00 N ATOM 50 CA GLU A 4 145.996 -7.543 10.094 1.00 0.00 C ATOM 51 C GLU A 4 144.742 -7.337 9.249 1.00 0.00 C ATOM 52 O GLU A 4 143.916 -6.476 9.552 1.00 0.00 O ATOM 53 CB GLU A 4 146.067 -8.996 10.581 1.00 0.00 C ATOM 54 CG GLU A 4 147.432 -9.637 10.382 1.00 0.00 C ATOM 55 CD GLU A 4 147.442 -11.109 10.748 1.00 0.00 C ATOM 56 OE1 GLU A 4 146.856 -11.465 11.791 1.00 0.00 O ATOM 57 OE2 GLU A 4 148.035 -11.904 9.989 1.00 0.00 O ATOM 0 H GLU A 4 146.756 -5.925 11.188 1.00 0.00 H new ATOM 0 HA GLU A 4 146.870 -7.336 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.810 -9.029 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 4 145.317 -9.585 10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 4 147.735 -9.523 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 4 148.169 -9.110 10.988 1.00 0.00 H new ATOM 64 N ILE A 5 144.606 -8.129 8.188 1.00 0.00 N ATOM 65 CA ILE A 5 143.452 -8.031 7.300 1.00 0.00 C ATOM 66 C ILE A 5 142.146 -7.981 8.092 1.00 0.00 C ATOM 67 O ILE A 5 141.924 -8.790 8.993 1.00 0.00 O ATOM 68 CB ILE A 5 143.401 -9.215 6.314 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.265 -9.023 5.308 1.00 0.00 C ATOM 70 CG2 ILE A 5 143.240 -10.529 7.063 1.00 0.00 C ATOM 71 CD1 ILE A 5 142.572 -7.996 4.240 1.00 0.00 C ATOM 0 H ILE A 5 145.281 -8.846 7.923 1.00 0.00 H new ATOM 0 HA ILE A 5 143.564 -7.104 6.737 1.00 0.00 H new ATOM 0 HB ILE A 5 144.343 -9.249 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 5 142.048 -9.978 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.364 -8.722 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 5 143.206 -11.353 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 5 144.084 -10.669 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 5 142.314 -10.509 7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 5 141.723 -7.912 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 5 142.760 -7.030 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 5 143.454 -8.306 3.680 1.00 0.00 H new ATOM 83 N ILE A 6 141.287 -7.023 7.753 1.00 0.00 N ATOM 84 CA ILE A 6 140.009 -6.868 8.440 1.00 0.00 C ATOM 85 C ILE A 6 138.837 -6.926 7.463 1.00 0.00 C ATOM 86 O ILE A 6 137.815 -7.551 7.745 1.00 0.00 O ATOM 87 CB ILE A 6 139.945 -5.543 9.221 1.00 0.00 C ATOM 88 CG1 ILE A 6 140.423 -4.383 8.346 1.00 0.00 C ATOM 89 CG2 ILE A 6 140.778 -5.636 10.490 1.00 0.00 C ATOM 90 CD1 ILE A 6 140.376 -3.040 9.042 1.00 0.00 C ATOM 0 H ILE A 6 141.452 -6.345 7.009 1.00 0.00 H new ATOM 0 HA ILE A 6 139.932 -7.700 9.140 1.00 0.00 H new ATOM 0 HB ILE A 6 138.909 -5.355 9.502 1.00 0.00 H new ATOM 0 HG12 ILE A 6 141.445 -4.580 8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 6 139.808 -4.339 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 6 140.723 -4.692 11.031 1.00 0.00 H new ATOM 0 HG22 ILE A 6 140.393 -6.438 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 6 141.816 -5.845 10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 6 140.729 -2.265 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 6 139.351 -2.821 9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 6 141.014 -3.065 9.925 1.00 0.00 H new ATOM 102 N GLU A 7 138.988 -6.269 6.317 1.00 0.00 N ATOM 103 CA GLU A 7 137.932 -6.248 5.310 1.00 0.00 C ATOM 104 C GLU A 7 138.504 -6.453 3.911 1.00 0.00 C ATOM 105 O GLU A 7 139.720 -6.422 3.715 1.00 0.00 O ATOM 106 CB GLU A 7 137.167 -4.925 5.368 1.00 0.00 C ATOM 107 CG GLU A 7 136.829 -4.477 6.782 1.00 0.00 C ATOM 108 CD GLU A 7 135.703 -3.463 6.820 1.00 0.00 C ATOM 109 OE1 GLU A 7 134.568 -3.824 6.441 1.00 0.00 O ATOM 110 OE2 GLU A 7 135.954 -2.309 7.225 1.00 0.00 O ATOM 0 H GLU A 7 139.827 -5.747 6.063 1.00 0.00 H new ATOM 0 HA GLU A 7 137.247 -7.068 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 7 137.761 -4.150 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 7 136.244 -5.024 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 7 136.550 -5.346 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 7 137.717 -4.046 7.244 1.00 0.00 H new ATOM 117 N ILE A 8 137.619 -6.661 2.942 1.00 0.00 N ATOM 118 CA ILE A 8 138.032 -6.871 1.558 1.00 0.00 C ATOM 119 C ILE A 8 137.295 -5.930 0.604 1.00 0.00 C ATOM 120 O ILE A 8 137.472 -6.008 -0.612 1.00 0.00 O ATOM 121 CB ILE A 8 137.784 -8.327 1.114 1.00 0.00 C ATOM 122 CG1 ILE A 8 138.372 -9.306 2.135 1.00 0.00 C ATOM 123 CG2 ILE A 8 138.381 -8.570 -0.265 1.00 0.00 C ATOM 124 CD1 ILE A 8 137.480 -10.495 2.415 1.00 0.00 C ATOM 0 H ILE A 8 136.610 -6.689 3.089 1.00 0.00 H new ATOM 0 HA ILE A 8 139.100 -6.658 1.516 1.00 0.00 H new ATOM 0 HB ILE A 8 136.708 -8.494 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 8 139.336 -9.663 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 8 138.560 -8.775 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 8 138.198 -9.602 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 8 137.918 -7.896 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 8 139.455 -8.387 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 8 137.960 -11.145 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 8 136.525 -10.148 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 8 137.312 -11.049 1.492 1.00 0.00 H new ATOM 136 N GLY A 9 136.470 -5.042 1.156 1.00 0.00 N ATOM 137 CA GLY A 9 135.729 -4.107 0.329 1.00 0.00 C ATOM 138 C GLY A 9 136.371 -2.734 0.285 1.00 0.00 C ATOM 139 O GLY A 9 137.239 -2.479 -0.550 1.00 0.00 O ATOM 0 H GLY A 9 136.303 -4.955 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.655 -4.503 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.712 -4.017 0.711 1.00 0.00 H new ATOM 143 N PRO A 10 135.965 -1.819 1.182 1.00 0.00 N ATOM 144 CA PRO A 10 136.522 -0.462 1.233 1.00 0.00 C ATOM 145 C PRO A 10 138.008 -0.465 1.575 1.00 0.00 C ATOM 146 O PRO A 10 138.768 0.380 1.102 1.00 0.00 O ATOM 147 CB PRO A 10 135.717 0.222 2.343 1.00 0.00 C ATOM 148 CG PRO A 10 135.169 -0.892 3.167 1.00 0.00 C ATOM 149 CD PRO A 10 134.939 -2.033 2.217 1.00 0.00 C ATOM 0 HA PRO A 10 136.449 0.044 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.348 0.880 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 10 134.918 0.836 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 10 135.867 -1.175 3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.240 -0.597 3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.059 -2.998 2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 10 133.933 -2.012 1.798 1.00 0.00 H new ATOM 157 N PHE A 11 138.412 -1.424 2.402 1.00 0.00 N ATOM 158 CA PHE A 11 139.800 -1.550 2.819 1.00 0.00 C ATOM 159 C PHE A 11 140.735 -1.672 1.614 1.00 0.00 C ATOM 160 O PHE A 11 141.930 -1.390 1.716 1.00 0.00 O ATOM 161 CB PHE A 11 139.959 -2.768 3.736 1.00 0.00 C ATOM 162 CG PHE A 11 141.387 -3.110 4.058 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.097 -2.376 4.993 1.00 0.00 C ATOM 164 CD2 PHE A 11 142.018 -4.169 3.425 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.409 -2.689 5.290 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.329 -4.488 3.718 1.00 0.00 C ATOM 167 CZ PHE A 11 144.026 -3.748 4.652 1.00 0.00 C ATOM 0 H PHE A 11 137.791 -2.129 2.798 1.00 0.00 H new ATOM 0 HA PHE A 11 140.074 -0.647 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.422 -2.582 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.488 -3.630 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 11 141.619 -1.549 5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.478 -4.752 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 11 143.952 -2.107 6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.809 -5.316 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.051 -3.996 4.884 1.00 0.00 H new ATOM 177 N THR A 12 140.189 -2.101 0.479 1.00 0.00 N ATOM 178 CA THR A 12 140.984 -2.267 -0.734 1.00 0.00 C ATOM 179 C THR A 12 140.935 -1.015 -1.609 1.00 0.00 C ATOM 180 O THR A 12 141.958 -0.369 -1.846 1.00 0.00 O ATOM 181 CB THR A 12 140.494 -3.482 -1.527 1.00 0.00 C ATOM 182 OG1 THR A 12 139.315 -4.019 -0.953 1.00 0.00 O ATOM 183 CG2 THR A 12 141.516 -4.597 -1.603 1.00 0.00 C ATOM 0 H THR A 12 139.203 -2.339 0.374 1.00 0.00 H new ATOM 0 HA THR A 12 142.020 -2.428 -0.434 1.00 0.00 H new ATOM 0 HB THR A 12 140.306 -3.111 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.544 -3.477 -1.222 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.106 -5.427 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.420 -4.230 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.759 -4.938 -0.596 1.00 0.00 H new ATOM 191 N GLN A 13 139.743 -0.677 -2.089 1.00 0.00 N ATOM 192 CA GLN A 13 139.567 0.496 -2.941 1.00 0.00 C ATOM 193 C GLN A 13 140.242 1.722 -2.332 1.00 0.00 C ATOM 194 O GLN A 13 140.676 2.625 -3.047 1.00 0.00 O ATOM 195 CB GLN A 13 138.079 0.775 -3.160 1.00 0.00 C ATOM 196 CG GLN A 13 137.270 0.803 -1.874 1.00 0.00 C ATOM 197 CD GLN A 13 135.833 1.231 -2.099 1.00 0.00 C ATOM 198 OE1 GLN A 13 135.569 2.327 -2.593 1.00 0.00 O ATOM 199 NE2 GLN A 13 134.895 0.366 -1.733 1.00 0.00 N ATOM 0 H GLN A 13 138.885 -1.197 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 13 140.037 0.287 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 13 137.968 1.732 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.668 0.012 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 13 137.283 -0.187 -1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 13 137.742 1.485 -1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 13 135.159 -0.532 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 13 133.910 0.599 -1.857 1.00 0.00 H new ATOM 208 N ASN A 14 140.330 1.742 -1.005 1.00 0.00 N ATOM 209 CA ASN A 14 140.952 2.850 -0.295 1.00 0.00 C ATOM 210 C ASN A 14 142.359 3.107 -0.810 1.00 0.00 C ATOM 211 O ASN A 14 142.638 4.166 -1.371 1.00 0.00 O ATOM 212 CB ASN A 14 140.988 2.563 1.208 1.00 0.00 C ATOM 213 CG ASN A 14 140.121 3.520 2.002 1.00 0.00 C ATOM 214 OD1 ASN A 14 138.958 3.233 2.285 1.00 0.00 O ATOM 215 ND2 ASN A 14 140.685 4.667 2.365 1.00 0.00 N ATOM 0 H ASN A 14 139.977 1.000 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 14 140.354 3.744 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 14 140.654 1.541 1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.016 2.630 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.150 5.351 2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 14 141.653 4.863 2.108 1.00 0.00 H new ATOM 222 N LEU A 15 143.245 2.131 -0.629 1.00 0.00 N ATOM 223 CA LEU A 15 144.617 2.274 -1.097 1.00 0.00 C ATOM 224 C LEU A 15 144.618 2.701 -2.558 1.00 0.00 C ATOM 225 O LEU A 15 145.525 3.395 -3.015 1.00 0.00 O ATOM 226 CB LEU A 15 145.393 0.967 -0.925 1.00 0.00 C ATOM 227 CG LEU A 15 146.896 1.138 -0.708 1.00 0.00 C ATOM 228 CD1 LEU A 15 147.543 1.779 -1.925 1.00 0.00 C ATOM 229 CD2 LEU A 15 147.162 1.971 0.537 1.00 0.00 C ATOM 0 H LEU A 15 143.040 1.245 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 15 145.111 3.039 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 15 144.977 0.423 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.236 0.348 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 15 147.337 0.151 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 148.613 1.892 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 147.382 1.146 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.098 2.759 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 15 148.237 2.083 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 15 146.707 2.955 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 15 146.733 1.473 1.406 1.00 0.00 H new ATOM 241 N GLY A 16 143.574 2.298 -3.279 1.00 0.00 N ATOM 242 CA GLY A 16 143.453 2.668 -4.674 1.00 0.00 C ATOM 243 C GLY A 16 143.404 4.171 -4.844 1.00 0.00 C ATOM 244 O GLY A 16 144.031 4.722 -5.752 1.00 0.00 O ATOM 0 H GLY A 16 142.812 1.723 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.297 2.264 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.550 2.223 -5.093 1.00 0.00 H new ATOM 248 N LYS A 17 142.671 4.843 -3.955 1.00 0.00 N ATOM 249 CA LYS A 17 142.565 6.295 -4.005 1.00 0.00 C ATOM 250 C LYS A 17 143.949 6.919 -3.873 1.00 0.00 C ATOM 251 O LYS A 17 144.365 7.731 -4.703 1.00 0.00 O ATOM 252 CB LYS A 17 141.646 6.802 -2.891 1.00 0.00 C ATOM 253 CG LYS A 17 140.623 7.824 -3.364 1.00 0.00 C ATOM 254 CD LYS A 17 139.237 7.531 -2.808 1.00 0.00 C ATOM 255 CE LYS A 17 138.882 8.468 -1.664 1.00 0.00 C ATOM 256 NZ LYS A 17 137.912 9.517 -2.082 1.00 0.00 N ATOM 0 H LYS A 17 142.146 4.405 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 17 142.135 6.584 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.123 5.954 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 17 142.254 7.247 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 17 140.936 8.822 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 17 140.586 7.824 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 17 138.497 7.630 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 139.195 6.499 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.460 7.891 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 17 139.789 8.942 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.697 10.134 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.324 10.085 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 137.036 9.067 -2.416 1.00 0.00 H new ATOM 270 N PHE A 18 144.668 6.513 -2.830 1.00 0.00 N ATOM 271 CA PHE A 18 146.016 7.011 -2.590 1.00 0.00 C ATOM 272 C PHE A 18 147.003 6.401 -3.583 1.00 0.00 C ATOM 273 O PHE A 18 148.149 6.837 -3.681 1.00 0.00 O ATOM 274 CB PHE A 18 146.455 6.694 -1.160 1.00 0.00 C ATOM 275 CG PHE A 18 146.016 7.719 -0.154 1.00 0.00 C ATOM 276 CD1 PHE A 18 146.391 9.046 -0.287 1.00 0.00 C ATOM 277 CD2 PHE A 18 145.226 7.356 0.925 1.00 0.00 C ATOM 278 CE1 PHE A 18 145.988 9.991 0.637 1.00 0.00 C ATOM 279 CE2 PHE A 18 144.820 8.296 1.852 1.00 0.00 C ATOM 280 CZ PHE A 18 145.200 9.615 1.709 1.00 0.00 C ATOM 0 H PHE A 18 144.338 5.840 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 18 146.007 8.092 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.055 5.721 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.542 6.612 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 18 147.006 9.345 -1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 18 144.924 6.326 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 18 146.288 11.022 0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 18 144.205 7.999 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 18 144.883 10.351 2.432 1.00 0.00 H new ATOM 290 N ALA A 19 146.548 5.392 -4.318 1.00 0.00 N ATOM 291 CA ALA A 19 147.389 4.726 -5.302 1.00 0.00 C ATOM 292 C ALA A 19 147.794 5.685 -6.413 1.00 0.00 C ATOM 293 O ALA A 19 148.958 6.063 -6.526 1.00 0.00 O ATOM 294 CB ALA A 19 146.670 3.517 -5.885 1.00 0.00 C ATOM 0 H ALA A 19 145.601 5.019 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 19 148.294 4.387 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.313 3.031 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.434 2.814 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 19 145.748 3.840 -6.368 1.00 0.00 H new ATOM 300 N VAL A 20 146.822 6.074 -7.232 1.00 0.00 N ATOM 301 CA VAL A 20 147.078 6.987 -8.338 1.00 0.00 C ATOM 302 C VAL A 20 147.440 8.384 -7.840 1.00 0.00 C ATOM 303 O VAL A 20 148.129 9.138 -8.527 1.00 0.00 O ATOM 304 CB VAL A 20 145.858 7.085 -9.276 1.00 0.00 C ATOM 305 CG1 VAL A 20 144.649 7.631 -8.530 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.180 7.942 -10.493 1.00 0.00 C ATOM 0 H VAL A 20 145.851 5.771 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 20 147.924 6.579 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 20 145.615 6.082 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 143.799 7.692 -9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 20 144.403 6.968 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 20 144.878 8.625 -8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.305 7.997 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.455 8.946 -10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 20 147.010 7.497 -11.042 1.00 0.00 H new ATOM 316 N ASP A 21 146.968 8.730 -6.646 1.00 0.00 N ATOM 317 CA ASP A 21 147.241 10.042 -6.071 1.00 0.00 C ATOM 318 C ASP A 21 148.670 10.139 -5.541 1.00 0.00 C ATOM 319 O ASP A 21 149.292 11.199 -5.611 1.00 0.00 O ATOM 320 CB ASP A 21 146.249 10.344 -4.945 1.00 0.00 C ATOM 321 CG ASP A 21 145.001 11.044 -5.448 1.00 0.00 C ATOM 322 OD1 ASP A 21 145.135 12.112 -6.081 1.00 0.00 O ATOM 323 OD2 ASP A 21 143.892 10.523 -5.210 1.00 0.00 O ATOM 0 H ASP A 21 146.396 8.122 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 21 147.125 10.779 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 21 145.967 9.413 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 21 146.734 10.967 -4.194 1.00 0.00 H new ATOM 328 N GLU A 22 149.187 9.035 -5.009 1.00 0.00 N ATOM 329 CA GLU A 22 150.541 9.022 -4.467 1.00 0.00 C ATOM 330 C GLU A 22 151.517 8.296 -5.395 1.00 0.00 C ATOM 331 O GLU A 22 152.728 8.320 -5.170 1.00 0.00 O ATOM 332 CB GLU A 22 150.555 8.380 -3.079 1.00 0.00 C ATOM 333 CG GLU A 22 151.261 9.220 -2.029 1.00 0.00 C ATOM 334 CD GLU A 22 150.733 10.641 -1.964 1.00 0.00 C ATOM 335 OE1 GLU A 22 149.632 10.840 -1.409 1.00 0.00 O ATOM 336 OE2 GLU A 22 151.420 11.552 -2.471 1.00 0.00 O ATOM 0 H GLU A 22 148.693 8.145 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 22 150.870 10.058 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 22 149.528 8.202 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 22 151.043 7.407 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 22 151.144 8.748 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 152.329 9.243 -2.246 1.00 0.00 H new ATOM 343 N GLU A 23 150.995 7.659 -6.441 1.00 0.00 N ATOM 344 CA GLU A 23 151.839 6.945 -7.396 1.00 0.00 C ATOM 345 C GLU A 23 152.898 7.878 -7.982 1.00 0.00 C ATOM 346 O GLU A 23 153.941 7.429 -8.460 1.00 0.00 O ATOM 347 CB GLU A 23 150.988 6.350 -8.523 1.00 0.00 C ATOM 348 CG GLU A 23 151.803 5.708 -9.635 1.00 0.00 C ATOM 349 CD GLU A 23 150.941 5.216 -10.780 1.00 0.00 C ATOM 350 OE1 GLU A 23 149.920 5.872 -11.080 1.00 0.00 O ATOM 351 OE2 GLU A 23 151.283 4.174 -11.377 1.00 0.00 O ATOM 0 H GLU A 23 149.997 7.623 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 23 152.340 6.135 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.315 5.604 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 23 150.365 7.137 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 23 152.526 6.430 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 23 152.371 4.872 -9.228 1.00 0.00 H new ATOM 358 N ASN A 24 152.617 9.176 -7.944 1.00 0.00 N ATOM 359 CA ASN A 24 153.532 10.178 -8.472 1.00 0.00 C ATOM 360 C ASN A 24 154.783 10.318 -7.604 1.00 0.00 C ATOM 361 O ASN A 24 155.741 10.988 -7.992 1.00 0.00 O ATOM 362 CB ASN A 24 152.817 11.526 -8.583 1.00 0.00 C ATOM 363 CG ASN A 24 151.943 11.618 -9.820 1.00 0.00 C ATOM 364 OD1 ASN A 24 150.956 10.733 -9.914 1.00 0.00 O flip ATOM 365 ND2 ASN A 24 152.153 12.473 -10.680 1.00 0.00 N flip ATOM 0 H ASN A 24 151.758 9.559 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 24 153.852 9.850 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.204 11.683 -7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 24 153.557 12.326 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 24 152.923 13.133 -10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 24 151.557 12.522 -11.507 1.00 0.00 H new ATOM 372 N LYS A 25 154.777 9.689 -6.428 1.00 0.00 N ATOM 373 CA LYS A 25 155.920 9.760 -5.522 1.00 0.00 C ATOM 374 C LYS A 25 157.073 8.886 -6.022 1.00 0.00 C ATOM 375 O LYS A 25 157.919 9.348 -6.788 1.00 0.00 O ATOM 376 CB LYS A 25 155.507 9.342 -4.107 1.00 0.00 C ATOM 377 CG LYS A 25 155.057 10.504 -3.237 1.00 0.00 C ATOM 378 CD LYS A 25 155.271 10.212 -1.761 1.00 0.00 C ATOM 379 CE LYS A 25 156.687 10.555 -1.323 1.00 0.00 C ATOM 380 NZ LYS A 25 157.629 9.425 -1.545 1.00 0.00 N ATOM 0 H LYS A 25 153.998 9.128 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 25 156.266 10.793 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.698 8.614 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 25 156.347 8.842 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 25 155.608 11.402 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 25 154.002 10.709 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 25 154.557 10.785 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 25 155.074 9.158 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 25 157.034 11.430 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 25 156.685 10.823 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 158.395 9.469 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 157.120 8.524 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 158.032 9.492 -2.502 1.00 0.00 H new ATOM 394 N ILE A 26 157.108 7.624 -5.588 1.00 0.00 N ATOM 395 CA ILE A 26 158.162 6.700 -5.997 1.00 0.00 C ATOM 396 C ILE A 26 158.394 6.745 -7.507 1.00 0.00 C ATOM 397 O ILE A 26 159.508 6.516 -7.981 1.00 0.00 O ATOM 398 CB ILE A 26 157.826 5.255 -5.576 1.00 0.00 C ATOM 399 CG1 ILE A 26 159.005 4.324 -5.857 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.575 4.766 -6.291 1.00 0.00 C ATOM 401 CD1 ILE A 26 159.981 4.220 -4.706 1.00 0.00 C ATOM 0 H ILE A 26 156.418 7.221 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 26 159.075 7.018 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 26 157.633 5.247 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 26 158.625 3.330 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 26 159.535 4.679 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.354 3.745 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.735 5.412 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 26 156.739 4.791 -7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 26 160.791 3.543 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 26 160.390 5.206 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 26 159.466 3.836 -3.826 1.00 0.00 H new ATOM 413 N GLY A 27 157.337 7.039 -8.257 1.00 0.00 N ATOM 414 CA GLY A 27 157.448 7.104 -9.703 1.00 0.00 C ATOM 415 C GLY A 27 157.704 8.512 -10.205 1.00 0.00 C ATOM 416 O GLY A 27 157.446 9.487 -9.499 1.00 0.00 O ATOM 0 H GLY A 27 156.406 7.233 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.258 6.452 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 156.530 6.723 -10.152 1.00 0.00 H new ATOM 420 N GLN A 28 158.210 8.618 -11.429 1.00 0.00 N ATOM 421 CA GLN A 28 158.500 9.916 -12.029 1.00 0.00 C ATOM 422 C GLN A 28 157.234 10.546 -12.599 1.00 0.00 C ATOM 423 O GLN A 28 156.865 11.662 -12.235 1.00 0.00 O ATOM 424 CB GLN A 28 159.554 9.769 -13.129 1.00 0.00 C ATOM 425 CG GLN A 28 160.599 10.873 -13.122 1.00 0.00 C ATOM 426 CD GLN A 28 161.716 10.625 -14.115 1.00 0.00 C ATOM 427 OE1 GLN A 28 161.826 11.316 -15.128 1.00 0.00 O ATOM 428 NE2 GLN A 28 162.551 9.634 -13.830 1.00 0.00 N ATOM 0 H GLN A 28 158.428 7.820 -12.026 1.00 0.00 H new ATOM 0 HA GLN A 28 158.889 10.571 -11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 28 160.053 8.807 -13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 28 159.056 9.758 -14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 28 160.119 11.824 -13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.021 10.962 -12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 28 162.422 9.087 -12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 28 163.322 9.419 -14.462 1.00 0.00 H new ATOM 437 N TYR A 29 156.570 9.822 -13.496 1.00 0.00 N ATOM 438 CA TYR A 29 155.343 10.308 -14.117 1.00 0.00 C ATOM 439 C TYR A 29 154.169 9.390 -13.793 1.00 0.00 C ATOM 440 O TYR A 29 154.135 8.236 -14.220 1.00 0.00 O ATOM 441 CB TYR A 29 155.522 10.414 -15.634 1.00 0.00 C ATOM 442 CG TYR A 29 154.965 11.691 -16.223 1.00 0.00 C ATOM 443 CD1 TYR A 29 155.324 12.930 -15.707 1.00 0.00 C ATOM 444 CD2 TYR A 29 154.084 11.657 -17.295 1.00 0.00 C ATOM 445 CE1 TYR A 29 154.819 14.099 -16.241 1.00 0.00 C ATOM 446 CE2 TYR A 29 153.574 12.823 -17.836 1.00 0.00 C ATOM 447 CZ TYR A 29 153.945 14.040 -17.306 1.00 0.00 C ATOM 448 OH TYR A 29 153.440 15.204 -17.843 1.00 0.00 O ATOM 0 H TYR A 29 156.862 8.896 -13.809 1.00 0.00 H new ATOM 0 HA TYR A 29 155.128 11.298 -13.714 1.00 0.00 H new ATOM 0 HB2 TYR A 29 156.584 10.347 -15.871 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.035 9.562 -16.109 1.00 0.00 H new ATOM 0 HD1 TYR A 29 156.010 12.980 -14.874 1.00 0.00 H new ATOM 0 HD2 TYR A 29 153.792 10.705 -17.713 1.00 0.00 H new ATOM 0 HE1 TYR A 29 155.107 15.054 -15.827 1.00 0.00 H new ATOM 0 HE2 TYR A 29 152.889 12.780 -18.669 1.00 0.00 H new ATOM 0 HH TYR A 29 152.840 14.988 -18.587 1.00 0.00 H new ATOM 458 N GLY A 30 153.209 9.907 -13.034 1.00 0.00 N ATOM 459 CA GLY A 30 152.050 9.119 -12.665 1.00 0.00 C ATOM 460 C GLY A 30 151.204 8.731 -13.862 1.00 0.00 C ATOM 461 O GLY A 30 151.425 9.221 -14.970 1.00 0.00 O ATOM 0 H GLY A 30 153.214 10.859 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.378 8.217 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.440 9.685 -11.961 1.00 0.00 H new ATOM 465 N ARG A 31 150.234 7.850 -13.639 1.00 0.00 N ATOM 466 CA ARG A 31 149.352 7.398 -14.708 1.00 0.00 C ATOM 467 C ARG A 31 148.044 6.856 -14.140 1.00 0.00 C ATOM 468 O ARG A 31 147.821 6.890 -12.929 1.00 0.00 O ATOM 469 CB ARG A 31 150.044 6.318 -15.545 1.00 0.00 C ATOM 470 CG ARG A 31 149.677 6.364 -17.020 1.00 0.00 C ATOM 471 CD ARG A 31 149.142 5.027 -17.506 1.00 0.00 C ATOM 472 NE ARG A 31 149.101 4.950 -18.964 1.00 0.00 N ATOM 473 CZ ARG A 31 148.196 5.574 -19.714 1.00 0.00 C ATOM 474 NH1 ARG A 31 147.256 6.323 -19.149 1.00 0.00 N ATOM 475 NH2 ARG A 31 148.229 5.450 -21.034 1.00 0.00 N ATOM 0 H ARG A 31 150.039 7.435 -12.728 1.00 0.00 H new ATOM 0 HA ARG A 31 149.125 8.253 -15.345 1.00 0.00 H new ATOM 0 HB2 ARG A 31 151.124 6.428 -15.444 1.00 0.00 H new ATOM 0 HB3 ARG A 31 149.785 5.338 -15.145 1.00 0.00 H new ATOM 0 HG2 ARG A 31 148.927 7.138 -17.185 1.00 0.00 H new ATOM 0 HG3 ARG A 31 150.554 6.640 -17.605 1.00 0.00 H new ATOM 0 HD2 ARG A 31 149.768 4.224 -17.118 1.00 0.00 H new ATOM 0 HD3 ARG A 31 148.140 4.871 -17.107 1.00 0.00 H new ATOM 0 HE ARG A 31 149.807 4.385 -19.435 1.00 0.00 H new ATOM 0 HH11 ARG A 31 147.225 6.423 -18.134 1.00 0.00 H new ATOM 0 HH12 ARG A 31 146.565 6.799 -19.730 1.00 0.00 H new ATOM 0 HH21 ARG A 31 148.948 4.876 -21.475 1.00 0.00 H new ATOM 0 HH22 ARG A 31 147.535 5.928 -21.609 1.00 0.00 H new ATOM 489 N LEU A 32 147.183 6.358 -15.021 1.00 0.00 N ATOM 490 CA LEU A 32 145.897 5.809 -14.607 1.00 0.00 C ATOM 491 C LEU A 32 146.060 4.399 -14.052 1.00 0.00 C ATOM 492 O LEU A 32 146.748 3.564 -14.640 1.00 0.00 O ATOM 493 CB LEU A 32 144.921 5.800 -15.785 1.00 0.00 C ATOM 494 CG LEU A 32 143.471 6.136 -15.430 1.00 0.00 C ATOM 495 CD1 LEU A 32 142.823 6.950 -16.539 1.00 0.00 C ATOM 496 CD2 LEU A 32 142.680 4.863 -15.168 1.00 0.00 C ATOM 0 H LEU A 32 147.352 6.323 -16.026 1.00 0.00 H new ATOM 0 HA LEU A 32 145.495 6.444 -13.817 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.270 6.513 -16.532 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.946 4.814 -16.250 1.00 0.00 H new ATOM 0 HG LEU A 32 143.469 6.737 -14.520 1.00 0.00 H new ATOM 0 HD11 LEU A 32 141.792 7.179 -16.268 1.00 0.00 H new ATOM 0 HD12 LEU A 32 143.376 7.879 -16.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 142.835 6.377 -17.466 1.00 0.00 H new ATOM 0 HD21 LEU A 32 141.651 5.119 -14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 32 142.691 4.238 -16.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 143.131 4.319 -14.338 1.00 0.00 H new ATOM 508 N THR A 33 145.425 4.139 -12.914 1.00 0.00 N ATOM 509 CA THR A 33 145.500 2.830 -12.277 1.00 0.00 C ATOM 510 C THR A 33 144.238 2.548 -11.468 1.00 0.00 C ATOM 511 O THR A 33 144.295 1.912 -10.417 1.00 0.00 O ATOM 512 CB THR A 33 146.730 2.754 -11.369 1.00 0.00 C ATOM 513 OG1 THR A 33 146.918 1.436 -10.888 1.00 0.00 O ATOM 514 CG2 THR A 33 146.648 3.672 -10.167 1.00 0.00 C ATOM 0 H THR A 33 144.852 4.819 -12.414 1.00 0.00 H new ATOM 0 HA THR A 33 145.586 2.075 -13.058 1.00 0.00 H new ATOM 0 HB THR A 33 147.566 3.072 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 33 147.710 1.408 -10.311 1.00 0.00 H new ATOM 0 HG21 THR A 33 147.552 3.567 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 33 146.553 4.704 -10.503 1.00 0.00 H new ATOM 0 HG23 THR A 33 145.780 3.406 -9.564 1.00 0.00 H new ATOM 522 N PHE A 34 143.100 3.032 -11.959 1.00 0.00 N ATOM 523 CA PHE A 34 141.829 2.835 -11.270 1.00 0.00 C ATOM 524 C PHE A 34 140.970 1.782 -11.968 1.00 0.00 C ATOM 525 O PHE A 34 139.745 1.797 -11.849 1.00 0.00 O ATOM 526 CB PHE A 34 141.066 4.158 -11.182 1.00 0.00 C ATOM 527 CG PHE A 34 140.775 4.587 -9.772 1.00 0.00 C ATOM 528 CD1 PHE A 34 139.793 3.951 -9.029 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.480 5.629 -9.191 1.00 0.00 C ATOM 530 CE1 PHE A 34 139.523 4.343 -7.733 1.00 0.00 C ATOM 531 CE2 PHE A 34 141.214 6.025 -7.894 1.00 0.00 C ATOM 532 CZ PHE A 34 140.234 5.381 -7.165 1.00 0.00 C ATOM 0 H PHE A 34 143.032 3.561 -12.828 1.00 0.00 H new ATOM 0 HA PHE A 34 142.048 2.477 -10.264 1.00 0.00 H new ATOM 0 HB2 PHE A 34 141.645 4.937 -11.678 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.126 4.064 -11.726 1.00 0.00 H new ATOM 0 HD1 PHE A 34 139.233 3.139 -9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 34 142.246 6.137 -9.758 1.00 0.00 H new ATOM 0 HE1 PHE A 34 138.756 3.838 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 34 141.772 6.837 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 34 140.024 5.689 -6.151 1.00 0.00 H new ATOM 542 N ASN A 35 141.611 0.868 -12.691 1.00 0.00 N ATOM 543 CA ASN A 35 140.887 -0.185 -13.393 1.00 0.00 C ATOM 544 C ASN A 35 140.258 -1.163 -12.406 1.00 0.00 C ATOM 545 O ASN A 35 139.051 -1.405 -12.439 1.00 0.00 O ATOM 546 CB ASN A 35 141.822 -0.932 -14.345 1.00 0.00 C ATOM 547 CG ASN A 35 141.607 -0.538 -15.794 1.00 0.00 C ATOM 548 OD1 ASN A 35 141.375 -1.389 -16.653 1.00 0.00 O ATOM 549 ND2 ASN A 35 141.683 0.758 -16.072 1.00 0.00 N ATOM 0 H ASN A 35 142.624 0.836 -12.805 1.00 0.00 H new ATOM 0 HA ASN A 35 140.090 0.282 -13.973 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.856 -0.731 -14.066 1.00 0.00 H new ATOM 0 HB3 ASN A 35 141.665 -2.005 -14.236 1.00 0.00 H new ATOM 0 HD21 ASN A 35 141.547 1.083 -17.029 1.00 0.00 H new ATOM 0 HD22 ASN A 35 141.877 1.429 -15.328 1.00 0.00 H new ATOM 556 N LYS A 36 141.083 -1.722 -11.525 1.00 0.00 N ATOM 557 CA LYS A 36 140.606 -2.673 -10.527 1.00 0.00 C ATOM 558 C LYS A 36 141.562 -2.743 -9.340 1.00 0.00 C ATOM 559 O LYS A 36 142.153 -3.786 -9.063 1.00 0.00 O ATOM 560 CB LYS A 36 140.439 -4.060 -11.153 1.00 0.00 C ATOM 561 CG LYS A 36 139.056 -4.301 -11.736 1.00 0.00 C ATOM 562 CD LYS A 36 138.722 -5.783 -11.783 1.00 0.00 C ATOM 563 CE LYS A 36 137.819 -6.187 -10.629 1.00 0.00 C ATOM 564 NZ LYS A 36 136.880 -7.277 -11.013 1.00 0.00 N ATOM 0 H LYS A 36 142.084 -1.533 -11.482 1.00 0.00 H new ATOM 0 HA LYS A 36 139.637 -2.329 -10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 141.183 -4.187 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.643 -4.818 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.311 -3.778 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 36 139.006 -3.884 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 36 138.233 -6.017 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 36 139.642 -6.366 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 36 138.430 -6.514 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 36 137.250 -5.320 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 136.282 -7.523 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 136.279 -6.957 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 137.422 -8.114 -11.310 1.00 0.00 H new ATOM 578 N VAL A 37 141.709 -1.623 -8.641 1.00 0.00 N ATOM 579 CA VAL A 37 142.591 -1.549 -7.483 1.00 0.00 C ATOM 580 C VAL A 37 141.991 -2.286 -6.293 1.00 0.00 C ATOM 581 O VAL A 37 141.096 -1.763 -5.630 1.00 0.00 O ATOM 582 CB VAL A 37 142.843 -0.086 -7.069 1.00 0.00 C ATOM 583 CG1 VAL A 37 144.047 0.012 -6.140 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.024 0.801 -8.292 1.00 0.00 C ATOM 0 H VAL A 37 141.226 -0.751 -8.858 1.00 0.00 H new ATOM 0 HA VAL A 37 143.533 -2.016 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 37 141.967 0.269 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 37 144.207 1.053 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 37 143.864 -0.581 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.932 -0.366 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.200 1.828 -7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 37 143.877 0.450 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 142.125 0.761 -8.907 1.00 0.00 H new ATOM 594 N ILE A 38 142.478 -3.497 -6.014 1.00 0.00 N ATOM 595 CA ILE A 38 141.956 -4.268 -4.891 1.00 0.00 C ATOM 596 C ILE A 38 142.918 -5.388 -4.445 1.00 0.00 C ATOM 597 O ILE A 38 143.994 -5.109 -3.898 1.00 0.00 O ATOM 598 CB ILE A 38 140.561 -4.858 -5.218 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.527 -5.395 -6.651 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.476 -3.811 -5.019 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.649 -6.617 -6.817 1.00 0.00 C ATOM 0 H ILE A 38 143.220 -3.956 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 38 141.858 -3.572 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 38 140.371 -5.685 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 38 140.171 -4.609 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.542 -5.642 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.504 -4.245 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.482 -3.473 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.663 -2.963 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.672 -6.943 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 38 140.017 -7.419 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.625 -6.370 -6.537 1.00 0.00 H new ATOM 613 N LYS A 39 142.520 -6.652 -4.661 1.00 0.00 N ATOM 614 CA LYS A 39 143.326 -7.807 -4.267 1.00 0.00 C ATOM 615 C LYS A 39 143.289 -8.003 -2.752 1.00 0.00 C ATOM 616 O LYS A 39 142.774 -7.160 -2.019 1.00 0.00 O ATOM 617 CB LYS A 39 144.769 -7.669 -4.753 1.00 0.00 C ATOM 618 CG LYS A 39 145.118 -8.615 -5.890 1.00 0.00 C ATOM 619 CD LYS A 39 144.902 -7.963 -7.245 1.00 0.00 C ATOM 620 CE LYS A 39 144.485 -8.982 -8.293 1.00 0.00 C ATOM 621 NZ LYS A 39 143.243 -9.704 -7.904 1.00 0.00 N ATOM 0 H LYS A 39 141.637 -6.896 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 39 142.894 -8.688 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.938 -6.643 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 39 145.445 -7.853 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 39 146.158 -8.928 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 39 144.507 -9.514 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 144.136 -7.192 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 39 145.820 -7.468 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 39 144.328 -8.478 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 39 145.291 -9.701 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 142.727 -9.993 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 143.491 -10.547 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 142.642 -9.077 -7.332 1.00 0.00 H new ATOM 635 N PRO A 40 143.829 -9.135 -2.264 1.00 0.00 N ATOM 636 CA PRO A 40 143.850 -9.456 -0.833 1.00 0.00 C ATOM 637 C PRO A 40 144.250 -8.272 0.043 1.00 0.00 C ATOM 638 O PRO A 40 143.472 -7.821 0.883 1.00 0.00 O ATOM 639 CB PRO A 40 144.896 -10.565 -0.748 1.00 0.00 C ATOM 640 CG PRO A 40 144.815 -11.257 -2.065 1.00 0.00 C ATOM 641 CD PRO A 40 144.455 -10.198 -3.076 1.00 0.00 C ATOM 0 HA PRO A 40 142.863 -9.740 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 40 145.892 -10.158 -0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 40 144.683 -11.249 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 40 145.765 -11.728 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 40 144.064 -12.047 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 40 145.336 -9.832 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 40 143.768 -10.582 -3.830 1.00 0.00 H new ATOM 649 N CYS A 41 145.466 -7.777 -0.154 1.00 0.00 N ATOM 650 CA CYS A 41 145.966 -6.648 0.628 1.00 0.00 C ATOM 651 C CYS A 41 145.995 -6.990 2.119 1.00 0.00 C ATOM 652 O CYS A 41 145.276 -7.879 2.574 1.00 0.00 O ATOM 653 CB CYS A 41 145.092 -5.413 0.389 1.00 0.00 C ATOM 654 SG CYS A 41 145.489 -3.999 1.445 1.00 0.00 S ATOM 0 H CYS A 41 146.124 -8.137 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 41 146.984 -6.432 0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.189 -5.111 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.048 -5.686 0.546 1.00 0.00 H new ATOM 0 HG CYS A 41 144.886 -4.129 2.589 1.00 0.00 H new ATOM 660 N MET A 42 146.823 -6.271 2.873 1.00 0.00 N ATOM 661 CA MET A 42 146.938 -6.497 4.311 1.00 0.00 C ATOM 662 C MET A 42 147.509 -5.267 5.016 1.00 0.00 C ATOM 663 O MET A 42 148.377 -4.578 4.480 1.00 0.00 O ATOM 664 CB MET A 42 147.823 -7.715 4.589 1.00 0.00 C ATOM 665 CG MET A 42 147.036 -9.001 4.795 1.00 0.00 C ATOM 666 SD MET A 42 147.749 -10.402 3.912 1.00 0.00 S ATOM 667 CE MET A 42 148.147 -11.494 5.275 1.00 0.00 C ATOM 0 H MET A 42 147.423 -5.529 2.513 1.00 0.00 H new ATOM 0 HA MET A 42 145.938 -6.685 4.703 1.00 0.00 H new ATOM 0 HB2 MET A 42 148.514 -7.850 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.426 -7.521 5.476 1.00 0.00 H new ATOM 0 HG2 MET A 42 146.995 -9.231 5.860 1.00 0.00 H new ATOM 0 HG3 MET A 42 146.009 -8.851 4.462 1.00 0.00 H new ATOM 0 HE1 MET A 42 148.598 -12.408 4.889 1.00 0.00 H new ATOM 0 HE2 MET A 42 148.849 -10.998 5.945 1.00 0.00 H new ATOM 0 HE3 MET A 42 147.237 -11.741 5.821 1.00 0.00 H new ATOM 677 N LYS A 43 147.014 -5.002 6.222 1.00 0.00 N ATOM 678 CA LYS A 43 147.470 -3.861 7.011 1.00 0.00 C ATOM 679 C LYS A 43 147.992 -4.326 8.370 1.00 0.00 C ATOM 680 O LYS A 43 147.451 -5.259 8.963 1.00 0.00 O ATOM 681 CB LYS A 43 146.325 -2.863 7.205 1.00 0.00 C ATOM 682 CG LYS A 43 146.664 -1.450 6.765 1.00 0.00 C ATOM 683 CD LYS A 43 145.874 -0.415 7.554 1.00 0.00 C ATOM 684 CE LYS A 43 146.792 0.567 8.265 1.00 0.00 C ATOM 685 NZ LYS A 43 147.501 -0.065 9.411 1.00 0.00 N ATOM 0 H LYS A 43 146.294 -5.564 6.676 1.00 0.00 H new ATOM 0 HA LYS A 43 148.282 -3.371 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 43 145.455 -3.209 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 43 146.043 -2.848 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 147.731 -1.273 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 43 146.452 -1.338 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.211 0.128 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 145.242 -0.919 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.523 0.958 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.209 1.416 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 147.216 0.401 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 147.256 -1.075 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 148.528 0.036 9.282 1.00 0.00 H new ATOM 699 N LYS A 44 149.041 -3.674 8.862 1.00 0.00 N ATOM 700 CA LYS A 44 149.622 -4.037 10.153 1.00 0.00 C ATOM 701 C LYS A 44 150.110 -2.804 10.911 1.00 0.00 C ATOM 702 O LYS A 44 151.186 -2.275 10.628 1.00 0.00 O ATOM 703 CB LYS A 44 150.778 -5.019 9.954 1.00 0.00 C ATOM 704 CG LYS A 44 150.328 -6.437 9.649 1.00 0.00 C ATOM 705 CD LYS A 44 151.315 -7.154 8.741 1.00 0.00 C ATOM 706 CE LYS A 44 150.774 -7.293 7.328 1.00 0.00 C ATOM 707 NZ LYS A 44 150.337 -5.984 6.769 1.00 0.00 N ATOM 0 H LYS A 44 149.504 -2.897 8.391 1.00 0.00 H new ATOM 0 HA LYS A 44 148.842 -4.513 10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 44 151.409 -4.664 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 44 151.394 -5.028 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 44 150.219 -6.993 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 44 149.347 -6.414 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 152.256 -6.604 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 44 151.533 -8.142 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 44 151.542 -7.723 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 44 149.933 -7.987 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 150.629 -5.917 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 149.302 -5.908 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 150.775 -5.212 7.311 1.00 0.00 H new ATOM 721 N THR A 45 149.311 -2.354 11.874 1.00 0.00 N ATOM 722 CA THR A 45 149.652 -1.192 12.672 1.00 0.00 C ATOM 723 C THR A 45 150.463 -1.587 13.902 1.00 0.00 C ATOM 724 O THR A 45 150.289 -2.676 14.448 1.00 0.00 O ATOM 725 CB THR A 45 148.384 -0.451 13.099 1.00 0.00 C ATOM 726 OG1 THR A 45 147.528 -0.240 11.990 1.00 0.00 O ATOM 727 CG2 THR A 45 148.660 0.897 13.729 1.00 0.00 C ATOM 0 H THR A 45 148.418 -2.783 12.118 1.00 0.00 H new ATOM 0 HA THR A 45 150.263 -0.531 12.057 1.00 0.00 H new ATOM 0 HB THR A 45 147.914 -1.092 13.845 1.00 0.00 H new ATOM 0 HG1 THR A 45 146.803 0.368 12.247 1.00 0.00 H new ATOM 0 HG21 THR A 45 147.717 1.368 14.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 149.276 0.764 14.618 1.00 0.00 H new ATOM 0 HG23 THR A 45 149.185 1.532 13.015 1.00 0.00 H new ATOM 735 N ILE A 46 151.351 -0.693 14.339 1.00 0.00 N ATOM 736 CA ILE A 46 152.182 -0.957 15.513 1.00 0.00 C ATOM 737 C ILE A 46 152.417 0.313 16.318 1.00 0.00 C ATOM 738 O ILE A 46 153.250 1.145 15.961 1.00 0.00 O ATOM 739 CB ILE A 46 153.549 -1.563 15.139 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.082 -0.939 13.845 1.00 0.00 C ATOM 741 CG2 ILE A 46 153.443 -3.077 15.017 1.00 0.00 C ATOM 742 CD1 ILE A 46 153.590 -1.623 12.590 1.00 0.00 C ATOM 0 H ILE A 46 151.512 0.214 13.901 1.00 0.00 H new ATOM 0 HA ILE A 46 151.631 -1.681 16.114 1.00 0.00 H new ATOM 0 HB ILE A 46 154.259 -1.337 15.935 1.00 0.00 H new ATOM 0 HG12 ILE A 46 153.792 0.111 13.813 1.00 0.00 H new ATOM 0 HG13 ILE A 46 155.171 -0.968 13.860 1.00 0.00 H new ATOM 0 HG21 ILE A 46 154.417 -3.490 14.752 1.00 0.00 H new ATOM 0 HG22 ILE A 46 153.117 -3.497 15.969 1.00 0.00 H new ATOM 0 HG23 ILE A 46 152.719 -3.330 14.242 1.00 0.00 H new ATOM 0 HD11 ILE A 46 154.010 -1.125 11.716 1.00 0.00 H new ATOM 0 HD12 ILE A 46 153.903 -2.667 12.598 1.00 0.00 H new ATOM 0 HD13 ILE A 46 152.502 -1.571 12.550 1.00 0.00 H new ATOM 754 N TYR A 47 151.678 0.450 17.406 1.00 0.00 N ATOM 755 CA TYR A 47 151.802 1.619 18.269 1.00 0.00 C ATOM 756 C TYR A 47 152.410 1.254 19.618 1.00 0.00 C ATOM 757 O TYR A 47 152.243 0.135 20.104 1.00 0.00 O ATOM 758 CB TYR A 47 150.437 2.278 18.473 1.00 0.00 C ATOM 759 CG TYR A 47 149.417 1.369 19.119 1.00 0.00 C ATOM 760 CD1 TYR A 47 149.489 1.063 20.472 1.00 0.00 C ATOM 761 CD2 TYR A 47 148.379 0.816 18.376 1.00 0.00 C ATOM 762 CE1 TYR A 47 148.558 0.232 21.067 1.00 0.00 C ATOM 763 CE2 TYR A 47 147.445 -0.015 18.964 1.00 0.00 C ATOM 764 CZ TYR A 47 147.539 -0.304 20.309 1.00 0.00 C ATOM 765 OH TYR A 47 146.610 -1.131 20.900 1.00 0.00 O ATOM 0 H TYR A 47 150.985 -0.232 17.715 1.00 0.00 H new ATOM 0 HA TYR A 47 152.471 2.324 17.776 1.00 0.00 H new ATOM 0 HB2 TYR A 47 150.561 3.168 19.090 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.055 2.610 17.508 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.286 1.481 21.069 1.00 0.00 H new ATOM 0 HD2 TYR A 47 148.302 1.040 17.322 1.00 0.00 H new ATOM 0 HE1 TYR A 47 148.629 0.004 22.120 1.00 0.00 H new ATOM 0 HE2 TYR A 47 146.645 -0.436 18.373 1.00 0.00 H new ATOM 0 HH TYR A 47 145.958 -1.423 20.229 1.00 0.00 H new ATOM 775 N GLU A 48 153.115 2.209 20.217 1.00 0.00 N ATOM 776 CA GLU A 48 153.749 1.996 21.511 1.00 0.00 C ATOM 777 C GLU A 48 152.733 2.100 22.640 1.00 0.00 C ATOM 778 O GLU A 48 152.260 1.093 23.167 1.00 0.00 O ATOM 779 CB GLU A 48 154.888 3.001 21.718 1.00 0.00 C ATOM 780 CG GLU A 48 155.546 2.907 23.086 1.00 0.00 C ATOM 781 CD GLU A 48 157.056 2.782 23.002 1.00 0.00 C ATOM 782 OE1 GLU A 48 157.552 2.251 21.985 1.00 0.00 O ATOM 783 OE2 GLU A 48 157.742 3.213 23.951 1.00 0.00 O ATOM 0 H GLU A 48 153.261 3.139 19.825 1.00 0.00 H new ATOM 0 HA GLU A 48 154.165 0.989 21.525 1.00 0.00 H new ATOM 0 HB2 GLU A 48 155.644 2.843 20.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 154.500 4.010 21.580 1.00 0.00 H new ATOM 0 HG2 GLU A 48 155.291 3.792 23.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 155.143 2.046 23.620 1.00 0.00 H new ATOM 790 N ASN A 49 152.411 3.326 22.998 1.00 0.00 N ATOM 791 CA ASN A 49 151.452 3.596 24.062 1.00 0.00 C ATOM 792 C ASN A 49 151.178 5.092 24.174 1.00 0.00 C ATOM 793 O ASN A 49 150.048 5.543 23.990 1.00 0.00 O ATOM 794 CB ASN A 49 151.973 3.057 25.396 1.00 0.00 C ATOM 795 CG ASN A 49 150.907 2.308 26.173 1.00 0.00 C ATOM 796 OD1 ASN A 49 150.689 2.567 27.356 1.00 0.00 O ATOM 797 ND2 ASN A 49 150.238 1.374 25.508 1.00 0.00 N ATOM 0 H ASN A 49 152.802 4.163 22.565 1.00 0.00 H new ATOM 0 HA ASN A 49 150.518 3.090 23.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 152.818 2.394 25.212 1.00 0.00 H new ATOM 0 HB3 ASN A 49 152.344 3.885 25.999 1.00 0.00 H new ATOM 0 HD21 ASN A 49 149.509 0.837 25.978 1.00 0.00 H new ATOM 0 HD22 ASN A 49 150.453 1.193 24.527 1.00 0.00 H new ATOM 804 N GLU A 50 152.224 5.857 24.468 1.00 0.00 N ATOM 805 CA GLU A 50 152.101 7.304 24.597 1.00 0.00 C ATOM 806 C GLU A 50 152.559 7.998 23.319 1.00 0.00 C ATOM 807 O GLU A 50 153.175 9.064 23.364 1.00 0.00 O ATOM 808 CB GLU A 50 152.920 7.806 25.787 1.00 0.00 C ATOM 809 CG GLU A 50 152.412 7.308 27.130 1.00 0.00 C ATOM 810 CD GLU A 50 153.287 6.220 27.720 1.00 0.00 C ATOM 811 OE1 GLU A 50 154.522 6.289 27.540 1.00 0.00 O ATOM 812 OE2 GLU A 50 152.739 5.300 28.362 1.00 0.00 O ATOM 0 H GLU A 50 153.167 5.499 24.621 1.00 0.00 H new ATOM 0 HA GLU A 50 151.051 7.543 24.767 1.00 0.00 H new ATOM 0 HB2 GLU A 50 153.957 7.493 25.662 1.00 0.00 H new ATOM 0 HB3 GLU A 50 152.914 8.896 25.787 1.00 0.00 H new ATOM 0 HG2 GLU A 50 152.360 8.144 27.827 1.00 0.00 H new ATOM 0 HG3 GLU A 50 151.397 6.928 27.012 1.00 0.00 H new ATOM 819 N ARG A 51 152.256 7.386 22.179 1.00 0.00 N ATOM 820 CA ARG A 51 152.636 7.938 20.881 1.00 0.00 C ATOM 821 C ARG A 51 154.148 7.880 20.693 1.00 0.00 C ATOM 822 O ARG A 51 154.786 8.883 20.373 1.00 0.00 O ATOM 823 CB ARG A 51 152.148 9.383 20.746 1.00 0.00 C ATOM 824 CG ARG A 51 150.695 9.575 21.150 1.00 0.00 C ATOM 825 CD ARG A 51 150.179 10.941 20.731 1.00 0.00 C ATOM 826 NE ARG A 51 148.877 11.240 21.325 1.00 0.00 N ATOM 827 CZ ARG A 51 148.714 11.659 22.578 1.00 0.00 C ATOM 828 NH1 ARG A 51 149.765 11.832 23.370 1.00 0.00 N ATOM 829 NH2 ARG A 51 147.496 11.905 23.041 1.00 0.00 N ATOM 0 H ARG A 51 151.746 6.504 22.127 1.00 0.00 H new ATOM 0 HA ARG A 51 152.164 7.334 20.106 1.00 0.00 H new ATOM 0 HB2 ARG A 51 152.776 10.028 21.360 1.00 0.00 H new ATOM 0 HB3 ARG A 51 152.275 9.705 19.713 1.00 0.00 H new ATOM 0 HG2 ARG A 51 150.083 8.797 20.693 1.00 0.00 H new ATOM 0 HG3 ARG A 51 150.598 9.463 22.230 1.00 0.00 H new ATOM 0 HD2 ARG A 51 150.897 11.706 21.027 1.00 0.00 H new ATOM 0 HD3 ARG A 51 150.100 10.981 19.645 1.00 0.00 H new ATOM 0 HE ARG A 51 148.046 11.121 20.746 1.00 0.00 H new ATOM 0 HH11 ARG A 51 150.704 11.644 23.020 1.00 0.00 H new ATOM 0 HH12 ARG A 51 149.633 12.153 24.329 1.00 0.00 H new ATOM 0 HH21 ARG A 51 146.685 11.773 22.437 1.00 0.00 H new ATOM 0 HH22 ARG A 51 147.371 12.226 24.001 1.00 0.00 H new ATOM 843 N GLU A 52 154.720 6.695 20.892 1.00 0.00 N ATOM 844 CA GLU A 52 156.159 6.507 20.744 1.00 0.00 C ATOM 845 C GLU A 52 156.508 6.010 19.346 1.00 0.00 C ATOM 846 O GLU A 52 157.647 6.138 18.896 1.00 0.00 O ATOM 847 CB GLU A 52 156.678 5.527 21.798 1.00 0.00 C ATOM 848 CG GLU A 52 157.856 6.060 22.597 1.00 0.00 C ATOM 849 CD GLU A 52 159.093 6.262 21.744 1.00 0.00 C ATOM 850 OE1 GLU A 52 159.739 5.254 21.385 1.00 0.00 O ATOM 851 OE2 GLU A 52 159.418 7.429 21.437 1.00 0.00 O ATOM 0 H GLU A 52 154.209 5.852 21.156 1.00 0.00 H new ATOM 0 HA GLU A 52 156.641 7.473 20.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 155.867 5.280 22.483 1.00 0.00 H new ATOM 0 HB3 GLU A 52 156.973 4.600 21.306 1.00 0.00 H new ATOM 0 HG2 GLU A 52 157.579 7.008 23.059 1.00 0.00 H new ATOM 0 HG3 GLU A 52 158.086 5.366 23.406 1.00 0.00 H new ATOM 858 N ILE A 53 155.521 5.446 18.666 1.00 0.00 N ATOM 859 CA ILE A 53 155.718 4.931 17.316 1.00 0.00 C ATOM 860 C ILE A 53 154.425 5.001 16.503 1.00 0.00 C ATOM 861 O ILE A 53 154.181 5.974 15.790 1.00 0.00 O ATOM 862 CB ILE A 53 156.286 3.483 17.337 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.124 2.800 15.973 1.00 0.00 C ATOM 864 CG2 ILE A 53 155.641 2.652 18.439 1.00 0.00 C ATOM 865 CD1 ILE A 53 157.048 1.617 15.779 1.00 0.00 C ATOM 0 H ILE A 53 154.573 5.332 19.026 1.00 0.00 H new ATOM 0 HA ILE A 53 156.455 5.568 16.828 1.00 0.00 H new ATOM 0 HB ILE A 53 157.352 3.554 17.551 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.092 2.467 15.862 1.00 0.00 H new ATOM 0 HG13 ILE A 53 156.310 3.530 15.185 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.059 1.645 18.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 155.837 3.115 19.406 1.00 0.00 H new ATOM 0 HG23 ILE A 53 154.565 2.600 18.273 1.00 0.00 H new ATOM 0 HD11 ILE A 53 156.880 1.182 14.794 1.00 0.00 H new ATOM 0 HD12 ILE A 53 158.084 1.947 15.858 1.00 0.00 H new ATOM 0 HD13 ILE A 53 156.847 0.868 16.545 1.00 0.00 H new ATOM 877 N LYS A 54 153.614 3.970 16.615 1.00 0.00 N ATOM 878 CA LYS A 54 152.346 3.897 15.893 1.00 0.00 C ATOM 879 C LYS A 54 152.583 3.811 14.395 1.00 0.00 C ATOM 880 O LYS A 54 152.172 4.689 13.636 1.00 0.00 O ATOM 881 CB LYS A 54 151.471 5.106 16.217 1.00 0.00 C ATOM 882 CG LYS A 54 150.014 4.924 15.828 1.00 0.00 C ATOM 883 CD LYS A 54 149.114 5.903 16.564 1.00 0.00 C ATOM 884 CE LYS A 54 149.181 5.696 18.070 1.00 0.00 C ATOM 885 NZ LYS A 54 147.849 5.872 18.713 1.00 0.00 N ATOM 0 H LYS A 54 153.807 3.160 17.204 1.00 0.00 H new ATOM 0 HA LYS A 54 151.827 2.994 16.215 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.530 5.311 17.286 1.00 0.00 H new ATOM 0 HB3 LYS A 54 151.869 5.981 15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.903 5.064 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 54 149.702 3.904 16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 149.410 6.924 16.322 1.00 0.00 H new ATOM 0 HD3 LYS A 54 148.086 5.780 16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 149.558 4.696 18.283 1.00 0.00 H new ATOM 0 HE3 LYS A 54 149.890 6.402 18.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 147.936 5.723 19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 147.500 6.835 18.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 147.179 5.181 18.319 1.00 0.00 H new ATOM 899 N GLY A 55 153.245 2.743 13.975 1.00 0.00 N ATOM 900 CA GLY A 55 153.520 2.557 12.568 1.00 0.00 C ATOM 901 C GLY A 55 152.464 1.718 11.890 1.00 0.00 C ATOM 902 O GLY A 55 152.161 0.614 12.336 1.00 0.00 O ATOM 0 H GLY A 55 153.596 2.003 14.584 1.00 0.00 H new ATOM 0 HA2 GLY A 55 153.579 3.529 12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 55 154.493 2.080 12.449 1.00 0.00 H new ATOM 906 N TYR A 56 151.899 2.237 10.813 1.00 0.00 N ATOM 907 CA TYR A 56 150.870 1.515 10.085 1.00 0.00 C ATOM 908 C TYR A 56 151.320 1.218 8.661 1.00 0.00 C ATOM 909 O TYR A 56 151.503 2.129 7.854 1.00 0.00 O ATOM 910 CB TYR A 56 149.562 2.311 10.071 1.00 0.00 C ATOM 911 CG TYR A 56 149.723 3.749 9.630 1.00 0.00 C ATOM 912 CD1 TYR A 56 150.277 4.698 10.479 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.313 4.158 8.367 1.00 0.00 C ATOM 914 CE1 TYR A 56 150.419 6.014 10.082 1.00 0.00 C ATOM 915 CE2 TYR A 56 149.452 5.471 7.963 1.00 0.00 C ATOM 916 CZ TYR A 56 150.005 6.395 8.823 1.00 0.00 C ATOM 917 OH TYR A 56 150.144 7.705 8.425 1.00 0.00 O ATOM 0 H TYR A 56 152.134 3.151 10.425 1.00 0.00 H new ATOM 0 HA TYR A 56 150.697 0.568 10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.854 1.815 9.407 1.00 0.00 H new ATOM 0 HB3 TYR A 56 149.128 2.294 11.071 1.00 0.00 H new ATOM 0 HD1 TYR A 56 150.602 4.403 11.466 1.00 0.00 H new ATOM 0 HD2 TYR A 56 148.879 3.437 7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 56 150.852 6.740 10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 56 149.129 5.772 6.978 1.00 0.00 H new ATOM 0 HH TYR A 56 151.016 7.825 7.994 1.00 0.00 H new ATOM 927 N GLU A 57 151.495 -0.063 8.358 1.00 0.00 N ATOM 928 CA GLU A 57 151.917 -0.479 7.027 1.00 0.00 C ATOM 929 C GLU A 57 150.715 -0.928 6.207 1.00 0.00 C ATOM 930 O GLU A 57 149.890 -1.714 6.676 1.00 0.00 O ATOM 931 CB GLU A 57 152.947 -1.608 7.115 1.00 0.00 C ATOM 932 CG GLU A 57 152.455 -2.827 7.878 1.00 0.00 C ATOM 933 CD GLU A 57 153.436 -3.287 8.938 1.00 0.00 C ATOM 934 OE1 GLU A 57 154.017 -2.422 9.626 1.00 0.00 O ATOM 935 OE2 GLU A 57 153.625 -4.514 9.079 1.00 0.00 O ATOM 0 H GLU A 57 151.351 -0.830 9.015 1.00 0.00 H new ATOM 0 HA GLU A 57 152.381 0.374 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 57 153.228 -1.911 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 57 153.848 -1.229 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 57 151.500 -2.595 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 152.275 -3.642 7.177 1.00 0.00 H new ATOM 942 N TYR A 58 150.612 -0.415 4.989 1.00 0.00 N ATOM 943 CA TYR A 58 149.499 -0.751 4.108 1.00 0.00 C ATOM 944 C TYR A 58 149.986 -1.421 2.827 1.00 0.00 C ATOM 945 O TYR A 58 150.462 -0.754 1.908 1.00 0.00 O ATOM 946 CB TYR A 58 148.713 0.515 3.763 1.00 0.00 C ATOM 947 CG TYR A 58 147.215 0.326 3.757 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.620 -0.645 2.961 1.00 0.00 C ATOM 949 CD2 TYR A 58 146.394 1.122 4.544 1.00 0.00 C ATOM 950 CE1 TYR A 58 145.248 -0.816 2.950 1.00 0.00 C ATOM 951 CE2 TYR A 58 145.021 0.957 4.540 1.00 0.00 C ATOM 952 CZ TYR A 58 144.453 -0.013 3.742 1.00 0.00 C ATOM 953 OH TYR A 58 143.086 -0.177 3.735 1.00 0.00 O ATOM 0 H TYR A 58 151.286 0.236 4.587 1.00 0.00 H new ATOM 0 HA TYR A 58 148.853 -1.455 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 58 148.967 1.295 4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 58 149.028 0.870 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 58 147.239 -1.276 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.835 1.883 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.801 -1.574 2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 58 144.397 1.585 5.159 1.00 0.00 H new ATOM 0 HH TYR A 58 142.825 -0.776 4.465 1.00 0.00 H new ATOM 963 N GLN A 59 149.849 -2.741 2.766 1.00 0.00 N ATOM 964 CA GLN A 59 150.261 -3.500 1.591 1.00 0.00 C ATOM 965 C GLN A 59 149.044 -3.862 0.746 1.00 0.00 C ATOM 966 O GLN A 59 148.276 -4.755 1.104 1.00 0.00 O ATOM 967 CB GLN A 59 151.007 -4.767 2.010 1.00 0.00 C ATOM 968 CG GLN A 59 151.612 -5.530 0.843 1.00 0.00 C ATOM 969 CD GLN A 59 151.517 -7.034 1.017 1.00 0.00 C ATOM 970 OE1 GLN A 59 152.524 -7.739 0.974 1.00 0.00 O ATOM 971 NE2 GLN A 59 150.302 -7.531 1.215 1.00 0.00 N ATOM 0 H GLN A 59 149.456 -3.308 3.517 1.00 0.00 H new ATOM 0 HA GLN A 59 150.932 -2.882 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 59 151.800 -4.498 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.320 -5.423 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 59 151.104 -5.242 -0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 59 152.659 -5.246 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 59 149.495 -6.908 1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 59 150.176 -8.536 1.339 1.00 0.00 H new ATOM 980 N LEU A 60 148.867 -3.158 -0.368 1.00 0.00 N ATOM 981 CA LEU A 60 147.740 -3.399 -1.245 1.00 0.00 C ATOM 982 C LEU A 60 148.199 -3.792 -2.643 1.00 0.00 C ATOM 983 O LEU A 60 149.345 -3.548 -3.019 1.00 0.00 O ATOM 984 CB LEU A 60 146.849 -2.158 -1.314 1.00 0.00 C ATOM 985 CG LEU A 60 145.389 -2.420 -1.702 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.445 -1.921 -0.616 1.00 0.00 C ATOM 987 CD2 LEU A 60 145.058 -1.770 -3.041 1.00 0.00 C ATOM 0 H LEU A 60 149.494 -2.416 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 60 147.167 -4.229 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.866 -1.664 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 60 147.279 -1.461 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 60 145.255 -3.497 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.414 -2.117 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.659 -2.439 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.585 -0.849 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 60 144.017 -1.970 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.214 -0.694 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 145.706 -2.181 -3.815 1.00 0.00 H new ATOM 999 N TYR A 61 147.296 -4.394 -3.414 1.00 0.00 N ATOM 1000 CA TYR A 61 147.618 -4.810 -4.772 1.00 0.00 C ATOM 1001 C TYR A 61 146.629 -4.198 -5.753 1.00 0.00 C ATOM 1002 O TYR A 61 145.481 -4.632 -5.853 1.00 0.00 O ATOM 1003 CB TYR A 61 147.610 -6.332 -4.875 1.00 0.00 C ATOM 1004 CG TYR A 61 148.907 -6.974 -4.442 1.00 0.00 C ATOM 1005 CD1 TYR A 61 149.222 -7.101 -3.095 1.00 0.00 C ATOM 1006 CD2 TYR A 61 149.816 -7.455 -5.376 1.00 0.00 C ATOM 1007 CE1 TYR A 61 150.406 -7.688 -2.690 1.00 0.00 C ATOM 1008 CE2 TYR A 61 151.002 -8.043 -4.980 1.00 0.00 C ATOM 1009 CZ TYR A 61 151.292 -8.157 -3.637 1.00 0.00 C ATOM 1010 OH TYR A 61 152.472 -8.743 -3.238 1.00 0.00 O ATOM 0 H TYR A 61 146.341 -4.603 -3.121 1.00 0.00 H new ATOM 0 HA TYR A 61 148.618 -4.456 -5.023 1.00 0.00 H new ATOM 0 HB2 TYR A 61 146.798 -6.725 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 61 147.400 -6.617 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 61 148.530 -6.735 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 61 149.592 -7.368 -6.429 1.00 0.00 H new ATOM 0 HE1 TYR A 61 150.636 -7.779 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 61 151.698 -8.411 -5.719 1.00 0.00 H new ATOM 0 HH TYR A 61 152.983 -9.020 -4.027 1.00 0.00 H new ATOM 1020 N VAL A 62 147.079 -3.169 -6.458 1.00 0.00 N ATOM 1021 CA VAL A 62 146.233 -2.470 -7.413 1.00 0.00 C ATOM 1022 C VAL A 62 146.227 -3.152 -8.776 1.00 0.00 C ATOM 1023 O VAL A 62 147.129 -2.949 -9.586 1.00 0.00 O ATOM 1024 CB VAL A 62 146.685 -1.005 -7.584 1.00 0.00 C ATOM 1025 CG1 VAL A 62 148.145 -0.935 -8.008 1.00 0.00 C ATOM 1026 CG2 VAL A 62 145.797 -0.282 -8.588 1.00 0.00 C ATOM 0 H VAL A 62 148.027 -2.800 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 62 145.221 -2.495 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 62 146.588 -0.505 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 62 148.441 0.108 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 62 148.768 -1.408 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 62 148.273 -1.455 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 62 146.133 0.750 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 62 145.856 -0.784 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 62 144.766 -0.293 -8.236 1.00 0.00 H new ATOM 1036 N TYR A 63 145.189 -3.938 -9.036 1.00 0.00 N ATOM 1037 CA TYR A 63 145.065 -4.620 -10.319 1.00 0.00 C ATOM 1038 C TYR A 63 144.499 -3.660 -11.359 1.00 0.00 C ATOM 1039 O TYR A 63 143.295 -3.648 -11.619 1.00 0.00 O ATOM 1040 CB TYR A 63 144.166 -5.851 -10.190 1.00 0.00 C ATOM 1041 CG TYR A 63 144.070 -6.669 -11.459 1.00 0.00 C ATOM 1042 CD1 TYR A 63 145.152 -7.414 -11.912 1.00 0.00 C ATOM 1043 CD2 TYR A 63 142.898 -6.692 -12.204 1.00 0.00 C ATOM 1044 CE1 TYR A 63 145.068 -8.160 -13.070 1.00 0.00 C ATOM 1045 CE2 TYR A 63 142.807 -7.437 -13.366 1.00 0.00 C ATOM 1046 CZ TYR A 63 143.895 -8.170 -13.794 1.00 0.00 C ATOM 1047 OH TYR A 63 143.807 -8.912 -14.949 1.00 0.00 O ATOM 0 H TYR A 63 144.427 -4.118 -8.382 1.00 0.00 H new ATOM 0 HA TYR A 63 146.053 -4.951 -10.638 1.00 0.00 H new ATOM 0 HB2 TYR A 63 144.545 -6.484 -9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 63 143.166 -5.531 -9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 63 146.074 -7.409 -11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 63 142.045 -6.120 -11.871 1.00 0.00 H new ATOM 0 HE1 TYR A 63 145.918 -8.734 -13.408 1.00 0.00 H new ATOM 0 HE2 TYR A 63 141.889 -7.445 -13.935 1.00 0.00 H new ATOM 0 HH TYR A 63 142.912 -8.810 -15.336 1.00 0.00 H new ATOM 1057 N ALA A 64 145.371 -2.836 -11.938 1.00 0.00 N ATOM 1058 CA ALA A 64 144.949 -1.852 -12.930 1.00 0.00 C ATOM 1059 C ALA A 64 145.024 -2.397 -14.351 1.00 0.00 C ATOM 1060 O ALA A 64 145.367 -3.559 -14.569 1.00 0.00 O ATOM 1061 CB ALA A 64 145.790 -0.590 -12.805 1.00 0.00 C ATOM 0 H ALA A 64 146.371 -2.831 -11.737 1.00 0.00 H new ATOM 0 HA ALA A 64 143.904 -1.615 -12.730 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.467 0.138 -13.550 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.667 -0.168 -11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.840 -0.835 -12.968 1.00 0.00 H new ATOM 1067 N SER A 65 144.693 -1.540 -15.315 1.00 0.00 N ATOM 1068 CA SER A 65 144.713 -1.918 -16.724 1.00 0.00 C ATOM 1069 C SER A 65 146.107 -2.360 -17.152 1.00 0.00 C ATOM 1070 O SER A 65 146.260 -3.134 -18.097 1.00 0.00 O ATOM 1071 CB SER A 65 144.247 -0.748 -17.594 1.00 0.00 C ATOM 1072 OG SER A 65 143.351 -1.185 -18.601 1.00 0.00 O ATOM 0 H SER A 65 144.407 -0.576 -15.144 1.00 0.00 H new ATOM 0 HA SER A 65 144.030 -2.757 -16.857 1.00 0.00 H new ATOM 0 HB2 SER A 65 143.760 0.001 -16.970 1.00 0.00 H new ATOM 0 HB3 SER A 65 145.110 -0.267 -18.055 1.00 0.00 H new ATOM 0 HG SER A 65 142.478 -1.378 -18.200 1.00 0.00 H new ATOM 1078 N ASP A 66 147.123 -1.863 -16.452 1.00 0.00 N ATOM 1079 CA ASP A 66 148.498 -2.204 -16.757 1.00 0.00 C ATOM 1080 C ASP A 66 148.911 -3.518 -16.091 1.00 0.00 C ATOM 1081 O ASP A 66 150.100 -3.788 -15.935 1.00 0.00 O ATOM 1082 CB ASP A 66 149.432 -1.077 -16.318 1.00 0.00 C ATOM 1083 CG ASP A 66 149.466 0.067 -17.315 1.00 0.00 C ATOM 1084 OD1 ASP A 66 149.704 -0.198 -18.512 1.00 0.00 O ATOM 1085 OD2 ASP A 66 149.255 1.224 -16.898 1.00 0.00 O ATOM 0 H ASP A 66 147.013 -1.220 -15.667 1.00 0.00 H new ATOM 0 HA ASP A 66 148.576 -2.336 -17.836 1.00 0.00 H new ATOM 0 HB2 ASP A 66 149.111 -0.700 -15.347 1.00 0.00 H new ATOM 0 HB3 ASP A 66 150.439 -1.473 -16.189 1.00 0.00 H new ATOM 1090 N LYS A 67 147.915 -4.328 -15.703 1.00 0.00 N ATOM 1091 CA LYS A 67 148.144 -5.622 -15.051 1.00 0.00 C ATOM 1092 C LYS A 67 148.132 -5.481 -13.533 1.00 0.00 C ATOM 1093 O LYS A 67 147.812 -4.419 -12.999 1.00 0.00 O ATOM 1094 CB LYS A 67 149.459 -6.269 -15.507 1.00 0.00 C ATOM 1095 CG LYS A 67 149.656 -6.256 -17.017 1.00 0.00 C ATOM 1096 CD LYS A 67 150.033 -7.631 -17.545 1.00 0.00 C ATOM 1097 CE LYS A 67 151.148 -7.547 -18.575 1.00 0.00 C ATOM 1098 NZ LYS A 67 150.935 -8.494 -19.704 1.00 0.00 N ATOM 0 H LYS A 67 146.929 -4.103 -15.833 1.00 0.00 H new ATOM 0 HA LYS A 67 147.325 -6.276 -15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 67 150.293 -5.748 -15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 67 149.488 -7.300 -15.155 1.00 0.00 H new ATOM 0 HG2 LYS A 67 148.739 -5.919 -17.501 1.00 0.00 H new ATOM 0 HG3 LYS A 67 150.436 -5.540 -17.276 1.00 0.00 H new ATOM 0 HD2 LYS A 67 150.349 -8.266 -16.717 1.00 0.00 H new ATOM 0 HD3 LYS A 67 149.158 -8.102 -17.992 1.00 0.00 H new ATOM 0 HE2 LYS A 67 151.209 -6.530 -18.961 1.00 0.00 H new ATOM 0 HE3 LYS A 67 152.102 -7.763 -18.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 151.717 -8.405 -20.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 150.902 -9.467 -19.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 150.037 -8.272 -20.179 1.00 0.00 H new ATOM 1112 N LEU A 68 148.472 -6.566 -12.846 1.00 0.00 N ATOM 1113 CA LEU A 68 148.494 -6.574 -11.388 1.00 0.00 C ATOM 1114 C LEU A 68 149.656 -5.748 -10.848 1.00 0.00 C ATOM 1115 O LEU A 68 150.794 -5.888 -11.294 1.00 0.00 O ATOM 1116 CB LEU A 68 148.590 -8.009 -10.867 1.00 0.00 C ATOM 1117 CG LEU A 68 149.816 -8.790 -11.346 1.00 0.00 C ATOM 1118 CD1 LEU A 68 150.362 -9.666 -10.229 1.00 0.00 C ATOM 1119 CD2 LEU A 68 149.467 -9.633 -12.564 1.00 0.00 C ATOM 0 H LEU A 68 148.736 -7.452 -13.276 1.00 0.00 H new ATOM 0 HA LEU A 68 147.564 -6.125 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 68 148.597 -7.984 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 68 147.693 -8.550 -11.168 1.00 0.00 H new ATOM 0 HG LEU A 68 150.589 -8.076 -11.631 1.00 0.00 H new ATOM 0 HD11 LEU A 68 151.233 -10.213 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 68 150.650 -9.041 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 68 149.595 -10.373 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 68 150.350 -10.182 -12.892 1.00 0.00 H new ATOM 0 HD22 LEU A 68 148.677 -10.338 -12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 68 149.124 -8.984 -13.369 1.00 0.00 H new ATOM 1131 N PHE A 69 149.357 -4.894 -9.875 1.00 0.00 N ATOM 1132 CA PHE A 69 150.372 -4.049 -9.257 1.00 0.00 C ATOM 1133 C PHE A 69 150.295 -4.151 -7.738 1.00 0.00 C ATOM 1134 O PHE A 69 149.377 -4.768 -7.195 1.00 0.00 O ATOM 1135 CB PHE A 69 150.197 -2.593 -9.693 1.00 0.00 C ATOM 1136 CG PHE A 69 150.830 -2.282 -11.017 1.00 0.00 C ATOM 1137 CD1 PHE A 69 150.117 -2.446 -12.193 1.00 0.00 C ATOM 1138 CD2 PHE A 69 152.135 -1.825 -11.086 1.00 0.00 C ATOM 1139 CE1 PHE A 69 150.694 -2.159 -13.413 1.00 0.00 C ATOM 1140 CE2 PHE A 69 152.719 -1.538 -12.305 1.00 0.00 C ATOM 1141 CZ PHE A 69 151.997 -1.705 -13.471 1.00 0.00 C ATOM 0 H PHE A 69 148.418 -4.769 -9.497 1.00 0.00 H new ATOM 0 HA PHE A 69 151.352 -4.396 -9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 69 149.133 -2.364 -9.746 1.00 0.00 H new ATOM 0 HB3 PHE A 69 150.626 -1.941 -8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 69 149.098 -2.802 -12.155 1.00 0.00 H new ATOM 0 HD2 PHE A 69 152.703 -1.691 -10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 69 150.127 -2.289 -14.323 1.00 0.00 H new ATOM 0 HE2 PHE A 69 153.738 -1.184 -12.346 1.00 0.00 H new ATOM 0 HZ PHE A 69 152.450 -1.481 -14.425 1.00 0.00 H new ATOM 1151 N ARG A 70 151.254 -3.541 -7.053 1.00 0.00 N ATOM 1152 CA ARG A 70 151.282 -3.567 -5.607 1.00 0.00 C ATOM 1153 C ARG A 70 151.843 -2.268 -5.043 1.00 0.00 C ATOM 1154 O ARG A 70 152.917 -1.817 -5.439 1.00 0.00 O ATOM 1155 CB ARG A 70 152.105 -4.757 -5.104 1.00 0.00 C ATOM 1156 CG ARG A 70 152.219 -4.823 -3.589 1.00 0.00 C ATOM 1157 CD ARG A 70 153.569 -4.316 -3.107 1.00 0.00 C ATOM 1158 NE ARG A 70 154.656 -5.228 -3.461 1.00 0.00 N ATOM 1159 CZ ARG A 70 155.469 -5.055 -4.504 1.00 0.00 C ATOM 1160 NH1 ARG A 70 155.322 -4.010 -5.310 1.00 0.00 N ATOM 1161 NH2 ARG A 70 156.430 -5.935 -4.743 1.00 0.00 N ATOM 0 H ARG A 70 152.021 -3.023 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 70 150.255 -3.676 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 70 151.652 -5.680 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 70 153.106 -4.703 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 70 151.424 -4.229 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 70 152.076 -5.851 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 70 153.763 -3.335 -3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 70 153.542 -4.187 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 70 154.802 -6.049 -2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.582 -3.330 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 70 155.949 -3.887 -6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 70 156.546 -6.742 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 70 157.053 -5.806 -5.540 1.00 0.00 H new ATOM 1175 N ALA A 71 151.110 -1.679 -4.106 1.00 0.00 N ATOM 1176 CA ALA A 71 151.535 -0.440 -3.475 1.00 0.00 C ATOM 1177 C ALA A 71 151.744 -0.657 -1.987 1.00 0.00 C ATOM 1178 O ALA A 71 151.038 -1.455 -1.370 1.00 0.00 O ATOM 1179 CB ALA A 71 150.516 0.662 -3.720 1.00 0.00 C ATOM 0 H ALA A 71 150.218 -2.041 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 71 152.482 -0.129 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 71 150.852 1.581 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.412 0.829 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.553 0.366 -3.304 1.00 0.00 H new ATOM 1185 N ASP A 72 152.718 0.036 -1.399 1.00 0.00 N ATOM 1186 CA ASP A 72 152.981 -0.137 0.024 1.00 0.00 C ATOM 1187 C ASP A 72 153.083 1.198 0.748 1.00 0.00 C ATOM 1188 O ASP A 72 153.920 2.040 0.416 1.00 0.00 O ATOM 1189 CB ASP A 72 154.263 -0.946 0.236 1.00 0.00 C ATOM 1190 CG ASP A 72 154.183 -1.844 1.453 1.00 0.00 C ATOM 1191 OD1 ASP A 72 153.623 -2.954 1.336 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.683 -1.439 2.524 1.00 0.00 O ATOM 0 H ASP A 72 153.323 0.706 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 72 152.137 -0.682 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.457 -1.553 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 72 155.106 -0.264 0.346 1.00 0.00 H new ATOM 1197 N ILE A 73 152.234 1.364 1.756 1.00 0.00 N ATOM 1198 CA ILE A 73 152.221 2.574 2.566 1.00 0.00 C ATOM 1199 C ILE A 73 152.728 2.257 3.963 1.00 0.00 C ATOM 1200 O ILE A 73 152.018 1.660 4.767 1.00 0.00 O ATOM 1201 CB ILE A 73 150.811 3.181 2.677 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.071 3.074 1.340 1.00 0.00 C ATOM 1203 CG2 ILE A 73 150.901 4.629 3.138 1.00 0.00 C ATOM 1204 CD1 ILE A 73 150.624 3.980 0.263 1.00 0.00 C ATOM 0 H ILE A 73 151.541 0.669 2.032 1.00 0.00 H new ATOM 0 HA ILE A 73 152.868 3.301 2.075 1.00 0.00 H new ATOM 0 HB ILE A 73 150.243 2.619 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 73 150.116 2.042 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 73 149.019 3.312 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 73 149.898 5.050 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 73 151.386 4.671 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 73 151.483 5.205 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 73 150.049 3.848 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 73 150.554 5.018 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 73 151.668 3.728 0.076 1.00 0.00 H new ATOM 1216 N SER A 74 153.962 2.643 4.245 1.00 0.00 N ATOM 1217 CA SER A 74 154.553 2.370 5.546 1.00 0.00 C ATOM 1218 C SER A 74 154.874 3.658 6.285 1.00 0.00 C ATOM 1219 O SER A 74 155.549 4.535 5.750 1.00 0.00 O ATOM 1220 CB SER A 74 155.826 1.537 5.382 1.00 0.00 C ATOM 1221 OG SER A 74 156.924 2.352 5.005 1.00 0.00 O ATOM 0 H SER A 74 154.570 3.143 3.596 1.00 0.00 H new ATOM 0 HA SER A 74 153.826 1.810 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.053 1.026 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.665 0.766 4.628 1.00 0.00 H new ATOM 0 HG SER A 74 156.688 3.295 5.127 1.00 0.00 H new ATOM 1227 N GLU A 75 154.394 3.760 7.520 1.00 0.00 N ATOM 1228 CA GLU A 75 154.639 4.937 8.342 1.00 0.00 C ATOM 1229 C GLU A 75 154.957 4.508 9.764 1.00 0.00 C ATOM 1230 O GLU A 75 154.106 4.608 10.643 1.00 0.00 O ATOM 1231 CB GLU A 75 153.417 5.866 8.342 1.00 0.00 C ATOM 1232 CG GLU A 75 152.774 6.052 6.976 1.00 0.00 C ATOM 1233 CD GLU A 75 153.010 7.436 6.403 1.00 0.00 C ATOM 1234 OE1 GLU A 75 152.611 8.423 7.053 1.00 0.00 O ATOM 1235 OE2 GLU A 75 153.595 7.531 5.303 1.00 0.00 O ATOM 0 H GLU A 75 153.832 3.040 7.973 1.00 0.00 H new ATOM 0 HA GLU A 75 155.486 5.482 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 75 152.672 5.467 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 75 153.716 6.841 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 75 153.170 5.306 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 75 151.702 5.874 7.056 1.00 0.00 H new ATOM 1242 N ASP A 76 156.172 4.006 9.993 1.00 0.00 N ATOM 1243 CA ASP A 76 156.542 3.544 11.314 1.00 0.00 C ATOM 1244 C ASP A 76 157.669 4.358 11.924 1.00 0.00 C ATOM 1245 O ASP A 76 158.164 5.315 11.331 1.00 0.00 O ATOM 1246 CB ASP A 76 156.949 2.073 11.268 1.00 0.00 C ATOM 1247 CG ASP A 76 155.852 1.178 10.724 1.00 0.00 C ATOM 1248 OD1 ASP A 76 155.292 1.508 9.658 1.00 0.00 O ATOM 1249 OD2 ASP A 76 155.554 0.149 11.366 1.00 0.00 O ATOM 0 H ASP A 76 156.901 3.913 9.286 1.00 0.00 H new ATOM 0 HA ASP A 76 155.663 3.670 11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 76 157.840 1.966 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 76 157.217 1.743 12.272 1.00 0.00 H new ATOM 1254 N TYR A 77 158.069 3.948 13.122 1.00 0.00 N ATOM 1255 CA TYR A 77 159.143 4.603 13.847 1.00 0.00 C ATOM 1256 C TYR A 77 160.088 3.563 14.439 1.00 0.00 C ATOM 1257 O TYR A 77 159.816 2.364 14.387 1.00 0.00 O ATOM 1258 CB TYR A 77 158.572 5.484 14.961 1.00 0.00 C ATOM 1259 CG TYR A 77 158.426 6.937 14.573 1.00 0.00 C ATOM 1260 CD1 TYR A 77 159.514 7.662 14.105 1.00 0.00 C ATOM 1261 CD2 TYR A 77 157.201 7.584 14.677 1.00 0.00 C ATOM 1262 CE1 TYR A 77 159.386 8.992 13.750 1.00 0.00 C ATOM 1263 CE2 TYR A 77 157.065 8.913 14.323 1.00 0.00 C ATOM 1264 CZ TYR A 77 158.160 9.612 13.861 1.00 0.00 C ATOM 1265 OH TYR A 77 158.029 10.936 13.509 1.00 0.00 O ATOM 0 H TYR A 77 157.658 3.155 13.614 1.00 0.00 H new ATOM 0 HA TYR A 77 159.699 5.232 13.152 1.00 0.00 H new ATOM 0 HB2 TYR A 77 157.597 5.096 15.255 1.00 0.00 H new ATOM 0 HB3 TYR A 77 159.219 5.414 15.835 1.00 0.00 H new ATOM 0 HD1 TYR A 77 160.476 7.179 14.017 1.00 0.00 H new ATOM 0 HD2 TYR A 77 156.342 7.040 15.040 1.00 0.00 H new ATOM 0 HE1 TYR A 77 160.242 9.542 13.388 1.00 0.00 H new ATOM 0 HE2 TYR A 77 156.106 9.402 14.408 1.00 0.00 H new ATOM 0 HH TYR A 77 157.101 11.220 13.645 1.00 0.00 H new ATOM 1275 N LYS A 78 161.199 4.029 14.993 1.00 0.00 N ATOM 1276 CA LYS A 78 162.195 3.142 15.589 1.00 0.00 C ATOM 1277 C LYS A 78 162.980 2.439 14.492 1.00 0.00 C ATOM 1278 O LYS A 78 162.906 1.218 14.340 1.00 0.00 O ATOM 1279 CB LYS A 78 161.523 2.114 16.507 1.00 0.00 C ATOM 1280 CG LYS A 78 162.288 1.853 17.794 1.00 0.00 C ATOM 1281 CD LYS A 78 161.614 2.512 18.988 1.00 0.00 C ATOM 1282 CE LYS A 78 162.056 1.876 20.296 1.00 0.00 C ATOM 1283 NZ LYS A 78 161.620 0.456 20.398 1.00 0.00 N ATOM 0 H LYS A 78 161.436 5.020 15.043 1.00 0.00 H new ATOM 0 HA LYS A 78 162.881 3.738 16.191 1.00 0.00 H new ATOM 0 HB2 LYS A 78 160.520 2.462 16.755 1.00 0.00 H new ATOM 0 HB3 LYS A 78 161.410 1.175 15.965 1.00 0.00 H new ATOM 0 HG2 LYS A 78 162.361 0.779 17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 78 163.306 2.230 17.696 1.00 0.00 H new ATOM 0 HD2 LYS A 78 161.852 3.576 19.000 1.00 0.00 H new ATOM 0 HD3 LYS A 78 160.532 2.428 18.889 1.00 0.00 H new ATOM 0 HE2 LYS A 78 163.142 1.929 20.377 1.00 0.00 H new ATOM 0 HE3 LYS A 78 161.646 2.443 21.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 161.580 0.176 21.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 160.677 0.351 19.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 162.297 -0.152 19.895 1.00 0.00 H new ATOM 1297 N THR A 79 163.710 3.229 13.710 1.00 0.00 N ATOM 1298 CA THR A 79 164.489 2.706 12.590 1.00 0.00 C ATOM 1299 C THR A 79 163.563 2.444 11.407 1.00 0.00 C ATOM 1300 O THR A 79 163.847 1.612 10.545 1.00 0.00 O ATOM 1301 CB THR A 79 165.227 1.422 12.983 1.00 0.00 C ATOM 1302 OG1 THR A 79 165.587 1.449 14.354 1.00 0.00 O ATOM 1303 CG2 THR A 79 166.490 1.188 12.182 1.00 0.00 C ATOM 0 H THR A 79 163.779 4.239 13.832 1.00 0.00 H new ATOM 0 HA THR A 79 165.238 3.447 12.309 1.00 0.00 H new ATOM 0 HB THR A 79 164.528 0.612 12.774 1.00 0.00 H new ATOM 0 HG1 THR A 79 166.055 0.620 14.586 1.00 0.00 H new ATOM 0 HG21 THR A 79 166.963 0.263 12.511 1.00 0.00 H new ATOM 0 HG22 THR A 79 166.241 1.112 11.124 1.00 0.00 H new ATOM 0 HG23 THR A 79 167.177 2.021 12.334 1.00 0.00 H new ATOM 1311 N ARG A 80 162.444 3.166 11.391 1.00 0.00 N ATOM 1312 CA ARG A 80 161.448 3.046 10.359 1.00 0.00 C ATOM 1313 C ARG A 80 161.411 4.293 9.500 1.00 0.00 C ATOM 1314 O ARG A 80 162.158 5.247 9.720 1.00 0.00 O ATOM 1315 CB ARG A 80 160.078 2.805 10.985 1.00 0.00 C ATOM 1316 CG ARG A 80 159.851 1.363 11.435 1.00 0.00 C ATOM 1317 CD ARG A 80 161.128 0.709 11.940 1.00 0.00 C ATOM 1318 NE ARG A 80 160.861 -0.545 12.638 1.00 0.00 N ATOM 1319 CZ ARG A 80 161.766 -1.506 12.814 1.00 0.00 C ATOM 1320 NH1 ARG A 80 162.998 -1.363 12.341 1.00 0.00 N ATOM 1321 NH2 ARG A 80 161.438 -2.613 13.464 1.00 0.00 N ATOM 0 H ARG A 80 162.213 3.854 12.107 1.00 0.00 H new ATOM 0 HA ARG A 80 161.709 2.199 9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 80 159.960 3.467 11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 80 159.307 3.077 10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 80 159.099 1.345 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 80 159.453 0.783 10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 80 161.796 0.521 11.099 1.00 0.00 H new ATOM 0 HD3 ARG A 80 161.645 1.394 12.611 1.00 0.00 H new ATOM 0 HE ARG A 80 159.925 -0.694 13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 80 163.256 -0.513 11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 80 163.686 -2.103 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 80 160.493 -2.729 13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 80 162.131 -3.349 13.599 1.00 0.00 H new ATOM 1335 N GLY A 81 160.519 4.277 8.533 1.00 0.00 N ATOM 1336 CA GLY A 81 160.357 5.404 7.648 1.00 0.00 C ATOM 1337 C GLY A 81 158.947 5.933 7.711 1.00 0.00 C ATOM 1338 O GLY A 81 158.311 5.879 8.762 1.00 0.00 O ATOM 0 H GLY A 81 159.895 3.493 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 81 161.059 6.192 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 81 160.594 5.107 6.626 1.00 0.00 H new ATOM 1342 N ARG A 82 158.447 6.430 6.592 1.00 0.00 N ATOM 1343 CA ARG A 82 157.091 6.949 6.545 1.00 0.00 C ATOM 1344 C ARG A 82 156.809 7.600 5.197 1.00 0.00 C ATOM 1345 O ARG A 82 157.301 8.691 4.914 1.00 0.00 O ATOM 1346 CB ARG A 82 156.862 7.947 7.688 1.00 0.00 C ATOM 1347 CG ARG A 82 155.583 8.769 7.565 1.00 0.00 C ATOM 1348 CD ARG A 82 155.844 10.249 7.800 1.00 0.00 C ATOM 1349 NE ARG A 82 155.722 11.028 6.570 1.00 0.00 N ATOM 1350 CZ ARG A 82 156.090 12.304 6.461 1.00 0.00 C ATOM 1351 NH1 ARG A 82 156.604 12.945 7.504 1.00 0.00 N ATOM 1352 NH2 ARG A 82 155.944 12.941 5.307 1.00 0.00 N ATOM 0 H ARG A 82 158.956 6.485 5.710 1.00 0.00 H new ATOM 0 HA ARG A 82 156.399 6.116 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 82 156.838 7.401 8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 82 157.713 8.627 7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 82 155.153 8.628 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 82 154.848 8.410 8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 82 155.140 10.628 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 82 156.844 10.380 8.214 1.00 0.00 H new ATOM 0 HE ARG A 82 155.333 10.568 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 82 156.719 12.461 8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 82 156.884 13.922 7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 82 155.550 12.454 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 82 156.226 13.918 5.224 1.00 0.00 H new ATOM 1366 N LYS A 83 156.011 6.925 4.370 1.00 0.00 N ATOM 1367 CA LYS A 83 155.667 7.453 3.048 1.00 0.00 C ATOM 1368 C LYS A 83 155.007 6.405 2.156 1.00 0.00 C ATOM 1369 O LYS A 83 155.047 5.208 2.438 1.00 0.00 O ATOM 1370 CB LYS A 83 156.918 7.994 2.344 1.00 0.00 C ATOM 1371 CG LYS A 83 158.160 7.143 2.569 1.00 0.00 C ATOM 1372 CD LYS A 83 159.012 7.050 1.313 1.00 0.00 C ATOM 1373 CE LYS A 83 160.215 7.976 1.386 1.00 0.00 C ATOM 1374 NZ LYS A 83 161.415 7.287 1.937 1.00 0.00 N ATOM 0 H LYS A 83 155.594 6.020 4.588 1.00 0.00 H new ATOM 0 HA LYS A 83 154.951 8.258 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 83 156.722 8.060 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 83 157.113 9.007 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.751 7.569 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.864 6.142 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 83 159.350 6.023 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 83 158.408 7.305 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 83 160.441 8.357 0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 83 159.973 8.837 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 162.213 7.953 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 161.209 6.946 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 161.662 6.481 1.329 1.00 0.00 H new ATOM 1388 N LEU A 84 154.426 6.884 1.056 1.00 0.00 N ATOM 1389 CA LEU A 84 153.775 6.024 0.074 1.00 0.00 C ATOM 1390 C LEU A 84 154.672 5.912 -1.153 1.00 0.00 C ATOM 1391 O LEU A 84 155.141 6.924 -1.672 1.00 0.00 O ATOM 1392 CB LEU A 84 152.414 6.599 -0.318 1.00 0.00 C ATOM 1393 CG LEU A 84 151.580 7.134 0.847 1.00 0.00 C ATOM 1394 CD1 LEU A 84 152.035 8.535 1.228 1.00 0.00 C ATOM 1395 CD2 LEU A 84 150.097 7.127 0.495 1.00 0.00 C ATOM 0 H LEU A 84 154.395 7.877 0.823 1.00 0.00 H new ATOM 0 HA LEU A 84 153.615 5.035 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 84 152.570 7.405 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.842 5.824 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 84 151.729 6.479 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 84 151.431 8.900 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 84 153.083 8.509 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 84 151.917 9.201 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 84 149.521 7.511 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 84 149.927 7.757 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 84 149.780 6.108 0.274 1.00 0.00 H new ATOM 1407 N LEU A 85 154.949 4.690 -1.595 1.00 0.00 N ATOM 1408 CA LEU A 85 155.840 4.505 -2.733 1.00 0.00 C ATOM 1409 C LEU A 85 155.502 3.268 -3.557 1.00 0.00 C ATOM 1410 O LEU A 85 154.948 3.381 -4.649 1.00 0.00 O ATOM 1411 CB LEU A 85 157.283 4.410 -2.236 1.00 0.00 C ATOM 1412 CG LEU A 85 157.435 3.877 -0.810 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.843 3.353 -0.586 1.00 0.00 C ATOM 1414 CD2 LEU A 85 157.104 4.965 0.202 1.00 0.00 C ATOM 0 H LEU A 85 154.578 3.829 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 85 155.712 5.368 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.844 3.765 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.737 5.399 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 85 156.735 3.053 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 85 158.934 2.978 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 85 159.047 2.546 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.560 4.159 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.217 4.570 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.781 5.808 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 85 156.076 5.298 0.056 1.00 0.00 H new ATOM 1426 N ARG A 86 155.864 2.090 -3.037 1.00 0.00 N ATOM 1427 CA ARG A 86 155.631 0.822 -3.729 1.00 0.00 C ATOM 1428 C ARG A 86 154.467 0.923 -4.705 1.00 0.00 C ATOM 1429 O ARG A 86 153.406 1.449 -4.363 1.00 0.00 O ATOM 1430 CB ARG A 86 155.387 -0.297 -2.716 1.00 0.00 C ATOM 1431 CG ARG A 86 156.636 -1.103 -2.390 1.00 0.00 C ATOM 1432 CD ARG A 86 156.598 -2.485 -3.023 1.00 0.00 C ATOM 1433 NE ARG A 86 157.035 -3.524 -2.091 1.00 0.00 N ATOM 1434 CZ ARG A 86 158.258 -3.585 -1.569 1.00 0.00 C ATOM 1435 NH1 ARG A 86 159.173 -2.676 -1.888 1.00 0.00 N ATOM 1436 NH2 ARG A 86 158.570 -4.560 -0.724 1.00 0.00 N ATOM 0 H ARG A 86 156.323 1.991 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 86 156.525 0.587 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 86 154.993 0.136 -1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.622 -0.969 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 86 157.517 -0.566 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.733 -1.201 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 86 155.584 -2.702 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 86 157.237 -2.497 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 86 156.363 -4.244 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 86 158.941 -1.924 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 86 160.108 -2.730 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 86 157.873 -5.262 -0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 86 159.507 -4.607 -0.324 1.00 0.00 H new ATOM 1450 N PHE A 87 154.684 0.439 -5.925 1.00 0.00 N ATOM 1451 CA PHE A 87 153.665 0.488 -6.965 1.00 0.00 C ATOM 1452 C PHE A 87 154.058 -0.396 -8.146 1.00 0.00 C ATOM 1453 O PHE A 87 153.964 0.017 -9.303 1.00 0.00 O ATOM 1454 CB PHE A 87 153.469 1.932 -7.435 1.00 0.00 C ATOM 1455 CG PHE A 87 152.029 2.329 -7.595 1.00 0.00 C ATOM 1456 CD1 PHE A 87 151.212 2.479 -6.486 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.495 2.556 -8.853 1.00 0.00 C ATOM 1458 CE1 PHE A 87 149.889 2.848 -6.630 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.172 2.925 -9.003 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.367 3.070 -7.890 1.00 0.00 C ATOM 0 H PHE A 87 155.561 0.007 -6.217 1.00 0.00 H new ATOM 0 HA PHE A 87 152.728 0.115 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 87 153.944 2.604 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 87 153.981 2.066 -8.388 1.00 0.00 H new ATOM 0 HD1 PHE A 87 151.614 2.306 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.120 2.443 -9.727 1.00 0.00 H new ATOM 0 HE1 PHE A 87 149.262 2.963 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 87 149.768 3.100 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.332 3.356 -8.004 1.00 0.00 H new ATOM 1470 N ASN A 88 154.499 -1.611 -7.846 1.00 0.00 N ATOM 1471 CA ASN A 88 154.910 -2.552 -8.882 1.00 0.00 C ATOM 1472 C ASN A 88 154.248 -3.911 -8.679 1.00 0.00 C ATOM 1473 O ASN A 88 153.700 -4.194 -7.614 1.00 0.00 O ATOM 1474 CB ASN A 88 156.431 -2.712 -8.882 1.00 0.00 C ATOM 1475 CG ASN A 88 156.975 -3.063 -10.254 1.00 0.00 C ATOM 1476 OD1 ASN A 88 156.904 -2.262 -11.185 1.00 0.00 O ATOM 1477 ND2 ASN A 88 157.523 -4.266 -10.383 1.00 0.00 N ATOM 0 H ASN A 88 154.582 -1.969 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 88 154.592 -2.152 -9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 88 156.891 -1.786 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 88 156.712 -3.490 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 88 157.907 -4.558 -11.282 1.00 0.00 H new ATOM 0 HD22 ASN A 88 157.560 -4.898 -9.583 1.00 0.00 H new ATOM 1484 N GLY A 89 154.305 -4.750 -9.708 1.00 0.00 N ATOM 1485 CA GLY A 89 153.708 -6.069 -9.625 1.00 0.00 C ATOM 1486 C GLY A 89 154.243 -7.015 -10.684 1.00 0.00 C ATOM 1487 O GLY A 89 154.579 -6.588 -11.788 1.00 0.00 O ATOM 0 H GLY A 89 154.755 -4.539 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 89 153.898 -6.489 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 89 152.627 -5.983 -9.732 1.00 0.00 H new ATOM 1491 N PRO A 90 154.337 -8.321 -10.376 1.00 0.00 N ATOM 1492 CA PRO A 90 154.840 -9.322 -11.323 1.00 0.00 C ATOM 1493 C PRO A 90 153.853 -9.600 -12.451 1.00 0.00 C ATOM 1494 O PRO A 90 152.812 -8.950 -12.552 1.00 0.00 O ATOM 1495 CB PRO A 90 155.027 -10.567 -10.455 1.00 0.00 C ATOM 1496 CG PRO A 90 154.048 -10.401 -9.345 1.00 0.00 C ATOM 1497 CD PRO A 90 153.960 -8.922 -9.083 1.00 0.00 C ATOM 0 HA PRO A 90 155.752 -8.992 -11.820 1.00 0.00 H new ATOM 0 HB2 PRO A 90 154.834 -11.478 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 90 156.047 -10.637 -10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 90 153.074 -10.806 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 90 154.375 -10.936 -8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 90 152.955 -8.627 -8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 90 154.636 -8.615 -8.285 1.00 0.00 H new ATOM 1505 N VAL A 91 154.186 -10.569 -13.296 1.00 0.00 N ATOM 1506 CA VAL A 91 153.326 -10.934 -14.416 1.00 0.00 C ATOM 1507 C VAL A 91 151.971 -11.435 -13.930 1.00 0.00 C ATOM 1508 O VAL A 91 151.008 -11.396 -14.722 1.00 0.00 O ATOM 1509 CB VAL A 91 153.977 -12.020 -15.294 1.00 0.00 C ATOM 1510 CG1 VAL A 91 155.235 -11.487 -15.961 1.00 0.00 C ATOM 1511 CG2 VAL A 91 154.287 -13.259 -14.467 1.00 0.00 C ATOM 1512 OXT VAL A 91 151.885 -11.861 -12.760 1.00 0.00 O ATOM 0 H VAL A 91 155.044 -11.116 -13.227 1.00 0.00 H new ATOM 0 HA VAL A 91 153.184 -10.032 -15.011 1.00 0.00 H new ATOM 0 HB VAL A 91 153.271 -12.300 -16.076 1.00 0.00 H new ATOM 0 HG11 VAL A 91 155.680 -12.269 -16.576 1.00 0.00 H new ATOM 0 HG12 VAL A 91 154.980 -10.633 -16.588 1.00 0.00 H new ATOM 0 HG13 VAL A 91 155.948 -11.177 -15.197 1.00 0.00 H new ATOM 0 HG21 VAL A 91 154.746 -14.016 -15.103 1.00 0.00 H new ATOM 0 HG22 VAL A 91 154.973 -12.997 -13.662 1.00 0.00 H new ATOM 0 HG23 VAL A 91 153.364 -13.654 -14.043 1.00 0.00 H new TER 1522 VAL A 91