USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 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 28 ASN : amide:sc= -2.67! C(o=-2.3!,f=-4.2!) USER MOD Set 1.2: A 70 GLN : amide:sc= 0.372 X(o=-2.3,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0453 X(o=-0.045,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00976) USER MOD Single : A 31 SER OG : rot 158:sc= -4.64! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 43 THR OG1 : rot -12:sc= 1.13 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -159:sc= 0.225 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -50:sc= 1.16 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 75 TYR OH : rot -36:sc= 0.557 USER MOD Single : A 77 ASN : amide:sc= -0.651 K(o=-0.65,f=-2.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.77 X(o=-0.77,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.539 1.724 -1.139 1.00 3.51 N ATOM 2 CA GLY A 1 1.610 1.594 -0.168 1.00 43.32 C ATOM 3 C GLY A 1 2.814 2.447 -0.515 1.00 43.15 C ATOM 4 O GLY A 1 2.870 3.626 -0.164 1.00 40.14 O ATOM 0 H1 GLY A 1 -0.260 1.122 -0.857 1.00 3.51 H new ATOM 0 H2 GLY A 1 0.227 2.715 -1.182 1.00 3.51 H new ATOM 0 H3 GLY A 1 0.882 1.428 -2.075 1.00 3.51 H new ATOM 0 HA2 GLY A 1 1.239 1.878 0.817 1.00 43.32 H new ATOM 0 HA3 GLY A 1 1.915 0.549 -0.105 1.00 43.32 H new ATOM 8 N ILE A 2 3.781 1.851 -1.205 1.00 72.40 N ATOM 9 CA ILE A 2 4.990 2.564 -1.599 1.00 35.32 C ATOM 10 C ILE A 2 4.838 3.179 -2.986 1.00 33.31 C ATOM 11 O ILE A 2 4.388 2.533 -3.933 1.00 32.03 O ATOM 12 CB ILE A 2 6.218 1.635 -1.593 1.00 2.00 C ATOM 13 CG1 ILE A 2 6.389 0.988 -0.217 1.00 72.42 C ATOM 14 CG2 ILE A 2 7.469 2.410 -1.979 1.00 24.33 C ATOM 15 CD1 ILE A 2 5.626 -0.309 -0.061 1.00 21.32 C ATOM 0 H ILE A 2 3.751 0.876 -1.503 1.00 72.40 H new ATOM 0 HA ILE A 2 5.141 3.358 -0.867 1.00 35.32 H new ATOM 0 HB ILE A 2 6.062 0.845 -2.328 1.00 2.00 H new ATOM 0 HG12 ILE A 2 7.448 0.800 -0.042 1.00 72.42 H new ATOM 0 HG13 ILE A 2 6.058 1.689 0.549 1.00 72.42 H new ATOM 0 HG21 ILE A 2 8.329 1.740 -1.970 1.00 24.33 H new ATOM 0 HG22 ILE A 2 7.344 2.828 -2.978 1.00 24.33 H new ATOM 0 HG23 ILE A 2 7.631 3.218 -1.265 1.00 24.33 H new ATOM 0 HD11 ILE A 2 5.793 -0.712 0.938 1.00 21.32 H new ATOM 0 HD12 ILE A 2 4.561 -0.124 -0.204 1.00 21.32 H new ATOM 0 HD13 ILE A 2 5.973 -1.027 -0.804 1.00 21.32 H new ATOM 27 N PRO A 3 5.223 4.457 -3.112 1.00 3.34 N ATOM 28 CA PRO A 3 5.142 5.188 -4.380 1.00 70.51 C ATOM 29 C PRO A 3 6.149 4.680 -5.407 1.00 2.45 C ATOM 30 O PRO A 3 6.991 3.835 -5.100 1.00 73.44 O ATOM 31 CB PRO A 3 5.465 6.629 -3.981 1.00 4.43 C ATOM 32 CG PRO A 3 6.285 6.505 -2.743 1.00 30.22 C ATOM 33 CD PRO A 3 5.769 5.288 -2.025 1.00 50.23 C ATOM 0 HA PRO A 3 4.168 5.072 -4.856 1.00 70.51 H new ATOM 0 HB2 PRO A 3 6.014 7.144 -4.769 1.00 4.43 H new ATOM 0 HB3 PRO A 3 4.556 7.202 -3.798 1.00 4.43 H new ATOM 0 HG2 PRO A 3 7.342 6.397 -2.984 1.00 30.22 H new ATOM 0 HG3 PRO A 3 6.190 7.395 -2.121 1.00 30.22 H new ATOM 0 HD2 PRO A 3 6.564 4.773 -1.485 1.00 50.23 H new ATOM 0 HD3 PRO A 3 5.003 5.547 -1.294 1.00 50.23 H new ATOM 41 N LEU A 4 6.059 5.202 -6.625 1.00 34.01 N ATOM 42 CA LEU A 4 6.963 4.802 -7.697 1.00 40.25 C ATOM 43 C LEU A 4 8.134 5.773 -7.812 1.00 63.41 C ATOM 44 O LEU A 4 8.745 5.901 -8.873 1.00 4.11 O ATOM 45 CB LEU A 4 6.210 4.734 -9.027 1.00 42.33 C ATOM 46 CG LEU A 4 4.718 4.411 -8.938 1.00 42.43 C ATOM 47 CD1 LEU A 4 4.061 4.546 -10.303 1.00 33.40 C ATOM 48 CD2 LEU A 4 4.508 3.012 -8.378 1.00 51.31 C ATOM 0 H LEU A 4 5.369 5.903 -6.895 1.00 34.01 H new ATOM 0 HA LEU A 4 7.356 3.814 -7.458 1.00 40.25 H new ATOM 0 HB2 LEU A 4 6.324 5.691 -9.536 1.00 42.33 H new ATOM 0 HB3 LEU A 4 6.688 3.981 -9.654 1.00 42.33 H new ATOM 0 HG LEU A 4 4.250 5.125 -8.260 1.00 42.43 H new ATOM 0 HD11 LEU A 4 3.000 4.312 -10.221 1.00 33.40 H new ATOM 0 HD12 LEU A 4 4.181 5.567 -10.665 1.00 33.40 H new ATOM 0 HD13 LEU A 4 4.531 3.855 -11.003 1.00 33.40 H new ATOM 0 HD21 LEU A 4 3.440 2.799 -8.322 1.00 51.31 H new ATOM 0 HD22 LEU A 4 4.989 2.283 -9.030 1.00 51.31 H new ATOM 0 HD23 LEU A 4 4.943 2.950 -7.381 1.00 51.31 H new ATOM 60 N SER A 5 8.443 6.452 -6.712 1.00 40.12 N ATOM 61 CA SER A 5 9.540 7.412 -6.690 1.00 3.25 C ATOM 62 C SER A 5 10.635 6.964 -5.725 1.00 75.14 C ATOM 63 O SER A 5 11.777 7.413 -5.814 1.00 35.43 O ATOM 64 CB SER A 5 9.027 8.796 -6.288 1.00 52.31 C ATOM 65 OG SER A 5 8.198 8.720 -5.141 1.00 71.23 O ATOM 0 H SER A 5 7.949 6.355 -5.825 1.00 40.12 H new ATOM 0 HA SER A 5 9.963 7.466 -7.693 1.00 3.25 H new ATOM 0 HB2 SER A 5 9.871 9.456 -6.087 1.00 52.31 H new ATOM 0 HB3 SER A 5 8.469 9.235 -7.115 1.00 52.31 H new ATOM 0 HG SER A 5 7.885 9.618 -4.904 1.00 71.23 H new ATOM 71 N ASN A 6 10.275 6.075 -4.805 1.00 4.24 N ATOM 72 CA ASN A 6 11.226 5.566 -3.823 1.00 33.44 C ATOM 73 C ASN A 6 12.010 4.385 -4.387 1.00 22.14 C ATOM 74 O ASN A 6 13.174 4.179 -4.042 1.00 22.10 O ATOM 75 CB ASN A 6 10.495 5.144 -2.546 1.00 70.12 C ATOM 76 CG ASN A 6 11.391 4.377 -1.593 1.00 65.04 C ATOM 77 OD1 ASN A 6 11.034 3.299 -1.119 1.00 73.31 O ATOM 78 ND2 ASN A 6 12.564 4.932 -1.308 1.00 72.25 N ATOM 0 H ASN A 6 9.333 5.693 -4.719 1.00 4.24 H new ATOM 0 HA ASN A 6 11.928 6.365 -3.585 1.00 33.44 H new ATOM 0 HB2 ASN A 6 10.108 6.030 -2.043 1.00 70.12 H new ATOM 0 HB3 ASN A 6 9.636 4.526 -2.809 1.00 70.12 H new ATOM 0 HD21 ASN A 6 13.210 4.462 -0.673 1.00 72.25 H new ATOM 0 HD22 ASN A 6 12.819 5.828 -1.724 1.00 72.25 H new ATOM 85 N ILE A 7 11.365 3.614 -5.255 1.00 71.40 N ATOM 86 CA ILE A 7 12.003 2.455 -5.868 1.00 14.01 C ATOM 87 C ILE A 7 13.141 2.878 -6.790 1.00 24.23 C ATOM 88 O ILE A 7 14.244 2.335 -6.719 1.00 55.31 O ATOM 89 CB ILE A 7 10.992 1.615 -6.671 1.00 52.20 C ATOM 90 CG1 ILE A 7 10.017 0.909 -5.726 1.00 42.31 C ATOM 91 CG2 ILE A 7 11.719 0.603 -7.544 1.00 10.14 C ATOM 92 CD1 ILE A 7 8.588 0.907 -6.223 1.00 5.12 C ATOM 0 H ILE A 7 10.401 3.770 -5.550 1.00 71.40 H new ATOM 0 HA ILE A 7 12.403 1.848 -5.056 1.00 14.01 H new ATOM 0 HB ILE A 7 10.422 2.281 -7.319 1.00 52.20 H new ATOM 0 HG12 ILE A 7 10.344 -0.121 -5.582 1.00 42.31 H new ATOM 0 HG13 ILE A 7 10.053 1.394 -4.751 1.00 42.31 H new ATOM 0 HG21 ILE A 7 10.991 0.017 -8.105 1.00 10.14 H new ATOM 0 HG22 ILE A 7 12.376 1.127 -8.238 1.00 10.14 H new ATOM 0 HG23 ILE A 7 12.312 -0.061 -6.915 1.00 10.14 H new ATOM 0 HD11 ILE A 7 7.953 0.390 -5.503 1.00 5.12 H new ATOM 0 HD12 ILE A 7 8.242 1.934 -6.340 1.00 5.12 H new ATOM 0 HD13 ILE A 7 8.538 0.395 -7.184 1.00 5.12 H new ATOM 104 N GLU A 8 12.867 3.851 -7.653 1.00 12.14 N ATOM 105 CA GLU A 8 13.869 4.347 -8.588 1.00 5.32 C ATOM 106 C GLU A 8 15.162 4.706 -7.860 1.00 60.31 C ATOM 107 O GLU A 8 16.251 4.316 -8.280 1.00 72.40 O ATOM 108 CB GLU A 8 13.338 5.570 -9.339 1.00 0.14 C ATOM 109 CG GLU A 8 12.770 6.645 -8.427 1.00 24.22 C ATOM 110 CD GLU A 8 12.047 7.737 -9.191 1.00 65.45 C ATOM 111 OE1 GLU A 8 11.249 7.401 -10.091 1.00 60.33 O ATOM 112 OE2 GLU A 8 12.280 8.926 -8.891 1.00 31.12 O ATOM 0 H GLU A 8 11.959 4.311 -7.724 1.00 12.14 H new ATOM 0 HA GLU A 8 14.083 3.554 -9.305 1.00 5.32 H new ATOM 0 HB2 GLU A 8 14.144 5.999 -9.934 1.00 0.14 H new ATOM 0 HB3 GLU A 8 12.563 5.250 -10.036 1.00 0.14 H new ATOM 0 HG2 GLU A 8 12.082 6.187 -7.717 1.00 24.22 H new ATOM 0 HG3 GLU A 8 13.579 7.088 -7.846 1.00 24.22 H new ATOM 119 N GLU A 9 15.032 5.452 -6.767 1.00 72.44 N ATOM 120 CA GLU A 9 16.189 5.864 -5.982 1.00 64.14 C ATOM 121 C GLU A 9 16.871 4.657 -5.343 1.00 52.40 C ATOM 122 O GLU A 9 18.088 4.496 -5.438 1.00 75.11 O ATOM 123 CB GLU A 9 15.770 6.860 -4.899 1.00 43.12 C ATOM 124 CG GLU A 9 16.942 7.552 -4.223 1.00 13.40 C ATOM 125 CD GLU A 9 16.552 8.875 -3.591 1.00 62.15 C ATOM 126 OE1 GLU A 9 15.339 9.108 -3.406 1.00 4.53 O ATOM 127 OE2 GLU A 9 17.459 9.676 -3.283 1.00 61.14 O ATOM 0 H GLU A 9 14.137 5.783 -6.406 1.00 72.44 H new ATOM 0 HA GLU A 9 16.899 6.347 -6.654 1.00 64.14 H new ATOM 0 HB2 GLU A 9 15.120 7.614 -5.343 1.00 43.12 H new ATOM 0 HB3 GLU A 9 15.183 6.337 -4.144 1.00 43.12 H new ATOM 0 HG2 GLU A 9 17.355 6.895 -3.457 1.00 13.40 H new ATOM 0 HG3 GLU A 9 17.731 7.722 -4.956 1.00 13.40 H new ATOM 134 N ARG A 10 16.077 3.814 -4.691 1.00 63.33 N ATOM 135 CA ARG A 10 16.603 2.623 -4.035 1.00 2.15 C ATOM 136 C ARG A 10 17.379 1.755 -5.022 1.00 15.34 C ATOM 137 O ARG A 10 18.569 1.499 -4.838 1.00 14.51 O ATOM 138 CB ARG A 10 15.465 1.813 -3.412 1.00 15.10 C ATOM 139 CG ARG A 10 15.849 1.120 -2.115 1.00 74.41 C ATOM 140 CD ARG A 10 14.738 1.216 -1.081 1.00 54.53 C ATOM 141 NE ARG A 10 13.899 0.021 -1.066 1.00 14.22 N ATOM 142 CZ ARG A 10 13.118 -0.315 -0.045 1.00 71.52 C ATOM 143 NH1 ARG A 10 13.069 0.449 1.037 1.00 40.22 N ATOM 144 NH2 ARG A 10 12.383 -1.419 -0.106 1.00 5.11 N ATOM 0 H ARG A 10 15.068 3.934 -4.603 1.00 63.33 H new ATOM 0 HA ARG A 10 17.285 2.944 -3.247 1.00 2.15 H new ATOM 0 HB2 ARG A 10 14.620 2.475 -3.224 1.00 15.10 H new ATOM 0 HB3 ARG A 10 15.129 1.064 -4.129 1.00 15.10 H new ATOM 0 HG2 ARG A 10 16.073 0.072 -2.314 1.00 74.41 H new ATOM 0 HG3 ARG A 10 16.758 1.570 -1.716 1.00 74.41 H new ATOM 0 HD2 ARG A 10 15.174 1.365 -0.093 1.00 54.53 H new ATOM 0 HD3 ARG A 10 14.121 2.089 -1.292 1.00 54.53 H new ATOM 0 HE ARG A 10 13.913 -0.589 -1.884 1.00 14.22 H new ATOM 0 HH11 ARG A 10 13.632 1.298 1.088 1.00 40.22 H new ATOM 0 HH12 ARG A 10 12.468 0.188 1.819 1.00 40.22 H new ATOM 0 HH21 ARG A 10 12.418 -2.010 -0.937 1.00 5.11 H new ATOM 0 HH22 ARG A 10 11.784 -1.677 0.678 1.00 5.11 H new ATOM 158 N VAL A 11 16.695 1.305 -6.069 1.00 63.31 N ATOM 159 CA VAL A 11 17.319 0.466 -7.086 1.00 3.24 C ATOM 160 C VAL A 11 18.623 1.082 -7.581 1.00 70.23 C ATOM 161 O VAL A 11 19.690 0.477 -7.471 1.00 12.44 O ATOM 162 CB VAL A 11 16.379 0.246 -8.286 1.00 25.33 C ATOM 163 CG1 VAL A 11 17.007 -0.712 -9.287 1.00 22.12 C ATOM 164 CG2 VAL A 11 15.028 -0.271 -7.816 1.00 22.33 C ATOM 0 H VAL A 11 15.709 1.507 -6.235 1.00 63.31 H new ATOM 0 HA VAL A 11 17.529 -0.496 -6.618 1.00 3.24 H new ATOM 0 HB VAL A 11 16.223 1.203 -8.784 1.00 25.33 H new ATOM 0 HG11 VAL A 11 16.329 -0.856 -10.128 1.00 22.12 H new ATOM 0 HG12 VAL A 11 17.948 -0.297 -9.647 1.00 22.12 H new ATOM 0 HG13 VAL A 11 17.195 -1.671 -8.804 1.00 22.12 H new ATOM 0 HG21 VAL A 11 14.376 -0.421 -8.677 1.00 22.33 H new ATOM 0 HG22 VAL A 11 15.163 -1.218 -7.293 1.00 22.33 H new ATOM 0 HG23 VAL A 11 14.576 0.455 -7.140 1.00 22.33 H new ATOM 174 N LYS A 12 18.530 2.289 -8.128 1.00 42.15 N ATOM 175 CA LYS A 12 19.702 2.990 -8.641 1.00 31.35 C ATOM 176 C LYS A 12 20.809 3.036 -7.593 1.00 24.33 C ATOM 177 O LYS A 12 21.972 2.758 -7.890 1.00 15.22 O ATOM 178 CB LYS A 12 19.327 4.412 -9.064 1.00 73.42 C ATOM 179 CG LYS A 12 18.947 4.529 -10.530 1.00 42.32 C ATOM 180 CD LYS A 12 17.595 3.894 -10.809 1.00 4.00 C ATOM 181 CE LYS A 12 17.420 3.583 -12.287 1.00 60.15 C ATOM 182 NZ LYS A 12 18.024 2.272 -12.654 1.00 5.20 N ATOM 0 H LYS A 12 17.655 2.803 -8.228 1.00 42.15 H new ATOM 0 HA LYS A 12 20.070 2.444 -9.510 1.00 31.35 H new ATOM 0 HB2 LYS A 12 18.493 4.756 -8.452 1.00 73.42 H new ATOM 0 HB3 LYS A 12 20.167 5.076 -8.861 1.00 73.42 H new ATOM 0 HG2 LYS A 12 18.922 5.580 -10.817 1.00 42.32 H new ATOM 0 HG3 LYS A 12 19.709 4.049 -11.144 1.00 42.32 H new ATOM 0 HD2 LYS A 12 17.496 2.977 -10.229 1.00 4.00 H new ATOM 0 HD3 LYS A 12 16.802 4.566 -10.481 1.00 4.00 H new ATOM 0 HE2 LYS A 12 16.358 3.575 -12.533 1.00 60.15 H new ATOM 0 HE3 LYS A 12 17.879 4.373 -12.881 1.00 60.15 H new ATOM 0 HZ1 LYS A 12 17.883 2.097 -13.670 1.00 5.20 H new ATOM 0 HZ2 LYS A 12 19.042 2.288 -12.443 1.00 5.20 H new ATOM 0 HZ3 LYS A 12 17.569 1.514 -12.106 1.00 5.20 H new ATOM 196 N LYS A 13 20.442 3.386 -6.365 1.00 12.41 N ATOM 197 CA LYS A 13 21.403 3.466 -5.271 1.00 51.14 C ATOM 198 C LYS A 13 22.247 2.198 -5.195 1.00 72.31 C ATOM 199 O LYS A 13 23.476 2.260 -5.169 1.00 3.03 O ATOM 200 CB LYS A 13 20.677 3.689 -3.943 1.00 3.24 C ATOM 201 CG LYS A 13 21.614 3.927 -2.771 1.00 33.34 C ATOM 202 CD LYS A 13 20.872 4.490 -1.570 1.00 5.32 C ATOM 203 CE LYS A 13 20.369 5.900 -1.837 1.00 52.32 C ATOM 204 NZ LYS A 13 19.936 6.581 -0.586 1.00 1.44 N ATOM 0 H LYS A 13 19.484 3.619 -6.102 1.00 12.41 H new ATOM 0 HA LYS A 13 22.065 4.311 -5.462 1.00 51.14 H new ATOM 0 HB2 LYS A 13 20.009 4.544 -4.043 1.00 3.24 H new ATOM 0 HB3 LYS A 13 20.054 2.821 -3.729 1.00 3.24 H new ATOM 0 HG2 LYS A 13 22.098 2.990 -2.495 1.00 33.34 H new ATOM 0 HG3 LYS A 13 22.403 4.618 -3.069 1.00 33.34 H new ATOM 0 HD2 LYS A 13 20.030 3.843 -1.325 1.00 5.32 H new ATOM 0 HD3 LYS A 13 21.533 4.496 -0.703 1.00 5.32 H new ATOM 0 HE2 LYS A 13 21.158 6.483 -2.313 1.00 52.32 H new ATOM 0 HE3 LYS A 13 19.534 5.861 -2.537 1.00 52.32 H new ATOM 0 HZ1 LYS A 13 19.600 7.539 -0.811 1.00 1.44 H new ATOM 0 HZ2 LYS A 13 19.166 6.039 -0.144 1.00 1.44 H new ATOM 0 HZ3 LYS A 13 20.739 6.641 0.072 1.00 1.44 H new ATOM 218 N ILE A 14 21.579 1.049 -5.162 1.00 1.55 N ATOM 219 CA ILE A 14 22.269 -0.233 -5.091 1.00 54.22 C ATOM 220 C ILE A 14 23.223 -0.409 -6.267 1.00 44.31 C ATOM 221 O ILE A 14 24.427 -0.590 -6.081 1.00 20.15 O ATOM 222 CB ILE A 14 21.273 -1.407 -5.073 1.00 33.41 C ATOM 223 CG1 ILE A 14 20.383 -1.331 -3.831 1.00 13.43 C ATOM 224 CG2 ILE A 14 22.017 -2.734 -5.117 1.00 12.40 C ATOM 225 CD1 ILE A 14 18.904 -1.288 -4.148 1.00 44.01 C ATOM 0 H ILE A 14 20.562 0.980 -5.183 1.00 1.55 H new ATOM 0 HA ILE A 14 22.838 -0.235 -4.161 1.00 54.22 H new ATOM 0 HB ILE A 14 20.638 -1.339 -5.957 1.00 33.41 H new ATOM 0 HG12 ILE A 14 20.585 -2.194 -3.196 1.00 13.43 H new ATOM 0 HG13 ILE A 14 20.649 -0.443 -3.257 1.00 13.43 H new ATOM 0 HG21 ILE A 14 21.299 -3.554 -5.104 1.00 12.40 H new ATOM 0 HG22 ILE A 14 22.612 -2.787 -6.029 1.00 12.40 H new ATOM 0 HG23 ILE A 14 22.673 -2.812 -4.250 1.00 12.40 H new ATOM 0 HD11 ILE A 14 18.334 -1.235 -3.220 1.00 44.01 H new ATOM 0 HD12 ILE A 14 18.688 -0.410 -4.757 1.00 44.01 H new ATOM 0 HD13 ILE A 14 18.623 -2.188 -4.695 1.00 44.01 H new ATOM 237 N ILE A 15 22.679 -0.352 -7.478 1.00 31.22 N ATOM 238 CA ILE A 15 23.483 -0.502 -8.684 1.00 71.42 C ATOM 239 C ILE A 15 24.662 0.465 -8.683 1.00 71.30 C ATOM 240 O ILE A 15 25.722 0.170 -9.236 1.00 34.53 O ATOM 241 CB ILE A 15 22.643 -0.268 -9.954 1.00 34.15 C ATOM 242 CG1 ILE A 15 21.520 -1.303 -10.046 1.00 72.44 C ATOM 243 CG2 ILE A 15 23.526 -0.324 -11.191 1.00 73.11 C ATOM 244 CD1 ILE A 15 20.137 -0.692 -10.087 1.00 74.54 C ATOM 0 H ILE A 15 21.685 -0.203 -7.650 1.00 31.22 H new ATOM 0 HA ILE A 15 23.856 -1.526 -8.688 1.00 71.42 H new ATOM 0 HB ILE A 15 22.194 0.724 -9.898 1.00 34.15 H new ATOM 0 HG12 ILE A 15 21.667 -1.909 -10.940 1.00 72.44 H new ATOM 0 HG13 ILE A 15 21.586 -1.976 -9.191 1.00 72.44 H new ATOM 0 HG21 ILE A 15 22.918 -0.157 -12.080 1.00 73.11 H new ATOM 0 HG22 ILE A 15 24.293 0.448 -11.126 1.00 73.11 H new ATOM 0 HG23 ILE A 15 24.001 -1.303 -11.255 1.00 73.11 H new ATOM 0 HD11 ILE A 15 19.391 -1.484 -10.152 1.00 74.54 H new ATOM 0 HD12 ILE A 15 19.970 -0.109 -9.181 1.00 74.54 H new ATOM 0 HD13 ILE A 15 20.052 -0.041 -10.957 1.00 74.54 H new ATOM 256 N VAL A 16 24.471 1.621 -8.056 1.00 51.44 N ATOM 257 CA VAL A 16 25.519 2.632 -7.980 1.00 63.30 C ATOM 258 C VAL A 16 26.528 2.296 -6.887 1.00 72.43 C ATOM 259 O VAL A 16 27.703 2.648 -6.984 1.00 54.32 O ATOM 260 CB VAL A 16 24.933 4.030 -7.709 1.00 74.05 C ATOM 261 CG1 VAL A 16 26.045 5.036 -7.454 1.00 71.42 C ATOM 262 CG2 VAL A 16 24.058 4.474 -8.872 1.00 15.12 C ATOM 0 H VAL A 16 23.600 1.881 -7.593 1.00 51.44 H new ATOM 0 HA VAL A 16 26.022 2.639 -8.947 1.00 63.30 H new ATOM 0 HB VAL A 16 24.312 3.978 -6.815 1.00 74.05 H new ATOM 0 HG11 VAL A 16 25.611 6.018 -7.265 1.00 71.42 H new ATOM 0 HG12 VAL A 16 26.627 4.723 -6.587 1.00 71.42 H new ATOM 0 HG13 VAL A 16 26.695 5.089 -8.327 1.00 71.42 H new ATOM 0 HG21 VAL A 16 23.652 5.464 -8.664 1.00 15.12 H new ATOM 0 HG22 VAL A 16 24.655 4.511 -9.783 1.00 15.12 H new ATOM 0 HG23 VAL A 16 23.240 3.766 -9.003 1.00 15.12 H new ATOM 272 N GLU A 17 26.060 1.611 -5.848 1.00 40.11 N ATOM 273 CA GLU A 17 26.922 1.228 -4.736 1.00 62.43 C ATOM 274 C GLU A 17 27.690 -0.051 -5.059 1.00 42.13 C ATOM 275 O GLU A 17 28.715 -0.343 -4.444 1.00 43.31 O ATOM 276 CB GLU A 17 26.095 1.031 -3.464 1.00 74.25 C ATOM 277 CG GLU A 17 25.855 2.315 -2.689 1.00 41.53 C ATOM 278 CD GLU A 17 26.983 2.635 -1.727 1.00 34.00 C ATOM 279 OE1 GLU A 17 27.032 2.013 -0.645 1.00 65.22 O ATOM 280 OE2 GLU A 17 27.814 3.507 -2.055 1.00 63.40 O ATOM 0 H GLU A 17 25.090 1.310 -5.753 1.00 40.11 H new ATOM 0 HA GLU A 17 27.640 2.032 -4.573 1.00 62.43 H new ATOM 0 HB2 GLU A 17 25.133 0.592 -3.730 1.00 74.25 H new ATOM 0 HB3 GLU A 17 26.603 0.316 -2.817 1.00 74.25 H new ATOM 0 HG2 GLU A 17 25.735 3.141 -3.390 1.00 41.53 H new ATOM 0 HG3 GLU A 17 24.921 2.230 -2.133 1.00 41.53 H new ATOM 287 N GLN A 18 27.186 -0.809 -6.028 1.00 12.51 N ATOM 288 CA GLN A 18 27.823 -2.056 -6.432 1.00 25.13 C ATOM 289 C GLN A 18 28.822 -1.817 -7.560 1.00 35.02 C ATOM 290 O GLN A 18 30.002 -2.147 -7.439 1.00 21.20 O ATOM 291 CB GLN A 18 26.769 -3.072 -6.874 1.00 63.32 C ATOM 292 CG GLN A 18 25.835 -3.506 -5.756 1.00 23.10 C ATOM 293 CD GLN A 18 26.566 -3.769 -4.454 1.00 42.11 C ATOM 294 OE1 GLN A 18 26.989 -2.838 -3.768 1.00 25.44 O ATOM 295 NE2 GLN A 18 26.718 -5.042 -4.107 1.00 4.53 N ATOM 0 H GLN A 18 26.338 -0.581 -6.547 1.00 12.51 H new ATOM 0 HA GLN A 18 28.362 -2.454 -5.573 1.00 25.13 H new ATOM 0 HB2 GLN A 18 26.178 -2.642 -7.683 1.00 63.32 H new ATOM 0 HB3 GLN A 18 27.271 -3.951 -7.278 1.00 63.32 H new ATOM 0 HG2 GLN A 18 25.082 -2.734 -5.596 1.00 23.10 H new ATOM 0 HG3 GLN A 18 25.306 -4.409 -6.060 1.00 23.10 H new ATOM 0 HE21 GLN A 18 26.351 -5.781 -4.706 1.00 4.53 H new ATOM 0 HE22 GLN A 18 27.202 -5.280 -3.241 1.00 4.53 H new ATOM 304 N LEU A 19 28.341 -1.242 -8.656 1.00 55.14 N ATOM 305 CA LEU A 19 29.191 -0.959 -9.808 1.00 13.54 C ATOM 306 C LEU A 19 30.062 0.267 -9.552 1.00 40.14 C ATOM 307 O LEU A 19 31.289 0.186 -9.581 1.00 22.20 O ATOM 308 CB LEU A 19 28.335 -0.739 -11.057 1.00 22.25 C ATOM 309 CG LEU A 19 28.078 -1.975 -11.919 1.00 71.04 C ATOM 310 CD1 LEU A 19 27.253 -2.998 -11.154 1.00 25.30 C ATOM 311 CD2 LEU A 19 27.380 -1.586 -13.214 1.00 55.51 C ATOM 0 H LEU A 19 27.367 -0.962 -8.772 1.00 55.14 H new ATOM 0 HA LEU A 19 29.842 -1.818 -9.969 1.00 13.54 H new ATOM 0 HB2 LEU A 19 27.373 -0.330 -10.747 1.00 22.25 H new ATOM 0 HB3 LEU A 19 28.818 0.017 -11.676 1.00 22.25 H new ATOM 0 HG LEU A 19 29.038 -2.426 -12.168 1.00 71.04 H new ATOM 0 HD11 LEU A 19 27.080 -3.871 -11.784 1.00 25.30 H new ATOM 0 HD12 LEU A 19 27.790 -3.300 -10.255 1.00 25.30 H new ATOM 0 HD13 LEU A 19 26.296 -2.558 -10.874 1.00 25.30 H new ATOM 0 HD21 LEU A 19 27.205 -2.478 -13.815 1.00 55.51 H new ATOM 0 HD22 LEU A 19 26.427 -1.110 -12.985 1.00 55.51 H new ATOM 0 HD23 LEU A 19 28.008 -0.891 -13.771 1.00 55.51 H new ATOM 323 N GLY A 20 29.418 1.403 -9.301 1.00 21.13 N ATOM 324 CA GLY A 20 30.150 2.629 -9.042 1.00 20.01 C ATOM 325 C GLY A 20 29.698 3.772 -9.929 1.00 0.34 C ATOM 326 O GLY A 20 29.952 4.939 -9.628 1.00 35.24 O ATOM 0 H GLY A 20 28.403 1.496 -9.272 1.00 21.13 H new ATOM 0 HA2 GLY A 20 30.022 2.911 -7.997 1.00 20.01 H new ATOM 0 HA3 GLY A 20 31.215 2.453 -9.196 1.00 20.01 H new ATOM 330 N VAL A 21 29.027 3.438 -11.027 1.00 5.23 N ATOM 331 CA VAL A 21 28.540 4.446 -11.961 1.00 34.23 C ATOM 332 C VAL A 21 27.594 5.423 -11.271 1.00 23.12 C ATOM 333 O VAL A 21 27.366 5.334 -10.064 1.00 53.43 O ATOM 334 CB VAL A 21 27.811 3.799 -13.154 1.00 12.13 C ATOM 335 CG1 VAL A 21 28.779 2.976 -13.989 1.00 25.12 C ATOM 336 CG2 VAL A 21 26.651 2.942 -12.668 1.00 42.52 C ATOM 0 H VAL A 21 28.808 2.477 -11.291 1.00 5.23 H new ATOM 0 HA VAL A 21 29.413 4.987 -12.327 1.00 34.23 H new ATOM 0 HB VAL A 21 27.408 4.592 -13.785 1.00 12.13 H new ATOM 0 HG11 VAL A 21 28.246 2.527 -14.827 1.00 25.12 H new ATOM 0 HG12 VAL A 21 29.572 3.621 -14.367 1.00 25.12 H new ATOM 0 HG13 VAL A 21 29.214 2.190 -13.372 1.00 25.12 H new ATOM 0 HG21 VAL A 21 26.147 2.493 -13.524 1.00 42.52 H new ATOM 0 HG22 VAL A 21 27.029 2.155 -12.015 1.00 42.52 H new ATOM 0 HG23 VAL A 21 25.945 3.564 -12.117 1.00 42.52 H new ATOM 346 N ASP A 22 27.047 6.354 -12.044 1.00 62.03 N ATOM 347 CA ASP A 22 26.124 7.348 -11.508 1.00 64.12 C ATOM 348 C ASP A 22 24.677 6.940 -11.766 1.00 1.35 C ATOM 349 O ASP A 22 24.361 6.365 -12.806 1.00 35.30 O ATOM 350 CB ASP A 22 26.400 8.718 -12.130 1.00 14.13 C ATOM 351 CG ASP A 22 26.007 9.859 -11.212 1.00 51.33 C ATOM 352 OD1 ASP A 22 25.184 9.632 -10.300 1.00 65.22 O ATOM 353 OD2 ASP A 22 26.523 10.980 -11.406 1.00 34.11 O ATOM 0 H ASP A 22 27.227 6.442 -13.044 1.00 62.03 H new ATOM 0 HA ASP A 22 26.279 7.409 -10.431 1.00 64.12 H new ATOM 0 HB2 ASP A 22 27.460 8.798 -12.371 1.00 14.13 H new ATOM 0 HB3 ASP A 22 25.852 8.805 -13.068 1.00 14.13 H new ATOM 358 N GLU A 23 23.804 7.242 -10.810 1.00 13.12 N ATOM 359 CA GLU A 23 22.390 6.905 -10.933 1.00 64.22 C ATOM 360 C GLU A 23 21.762 7.622 -12.125 1.00 30.24 C ATOM 361 O GLU A 23 20.690 7.243 -12.595 1.00 53.42 O ATOM 362 CB GLU A 23 21.642 7.272 -9.650 1.00 72.22 C ATOM 363 CG GLU A 23 21.509 8.769 -9.430 1.00 52.43 C ATOM 364 CD GLU A 23 21.435 9.139 -7.962 1.00 5.14 C ATOM 365 OE1 GLU A 23 20.713 8.449 -7.212 1.00 25.40 O ATOM 366 OE2 GLU A 23 22.099 10.118 -7.562 1.00 2.32 O ATOM 0 H GLU A 23 24.050 7.719 -9.943 1.00 13.12 H new ATOM 0 HA GLU A 23 22.311 5.830 -11.095 1.00 64.22 H new ATOM 0 HB2 GLU A 23 20.647 6.828 -9.680 1.00 72.22 H new ATOM 0 HB3 GLU A 23 22.162 6.833 -8.798 1.00 72.22 H new ATOM 0 HG2 GLU A 23 22.359 9.276 -9.886 1.00 52.43 H new ATOM 0 HG3 GLU A 23 20.614 9.129 -9.937 1.00 52.43 H new ATOM 373 N ALA A 24 22.438 8.660 -12.607 1.00 33.32 N ATOM 374 CA ALA A 24 21.947 9.429 -13.743 1.00 43.15 C ATOM 375 C ALA A 24 22.411 8.818 -15.061 1.00 44.13 C ATOM 376 O ALA A 24 21.810 9.051 -16.109 1.00 42.42 O ATOM 377 CB ALA A 24 22.407 10.876 -13.639 1.00 61.34 C ATOM 0 H ALA A 24 23.327 8.987 -12.228 1.00 33.32 H new ATOM 0 HA ALA A 24 20.857 9.403 -13.724 1.00 43.15 H new ATOM 0 HB1 ALA A 24 22.033 11.439 -14.494 1.00 61.34 H new ATOM 0 HB2 ALA A 24 22.022 11.315 -12.719 1.00 61.34 H new ATOM 0 HB3 ALA A 24 23.496 10.912 -13.629 1.00 61.34 H new ATOM 383 N GLU A 25 23.485 8.036 -15.000 1.00 75.22 N ATOM 384 CA GLU A 25 24.029 7.393 -16.190 1.00 42.04 C ATOM 385 C GLU A 25 23.513 5.963 -16.321 1.00 20.12 C ATOM 386 O GLU A 25 24.154 5.114 -16.941 1.00 34.23 O ATOM 387 CB GLU A 25 25.559 7.393 -16.142 1.00 75.53 C ATOM 388 CG GLU A 25 26.170 8.782 -16.204 1.00 11.21 C ATOM 389 CD GLU A 25 25.583 9.629 -17.316 1.00 60.15 C ATOM 390 OE1 GLU A 25 25.857 9.330 -18.498 1.00 15.14 O ATOM 391 OE2 GLU A 25 24.850 10.591 -17.005 1.00 74.23 O ATOM 0 H GLU A 25 23.995 7.833 -14.140 1.00 75.22 H new ATOM 0 HA GLU A 25 23.700 7.960 -17.061 1.00 42.04 H new ATOM 0 HB2 GLU A 25 25.885 6.902 -15.225 1.00 75.53 H new ATOM 0 HB3 GLU A 25 25.940 6.800 -16.974 1.00 75.53 H new ATOM 0 HG2 GLU A 25 26.016 9.285 -15.249 1.00 11.21 H new ATOM 0 HG3 GLU A 25 27.247 8.695 -16.349 1.00 11.21 H new ATOM 398 N VAL A 26 22.350 5.704 -15.731 1.00 61.43 N ATOM 399 CA VAL A 26 21.747 4.377 -15.781 1.00 54.43 C ATOM 400 C VAL A 26 20.349 4.432 -16.389 1.00 23.03 C ATOM 401 O VAL A 26 19.600 5.383 -16.166 1.00 33.25 O ATOM 402 CB VAL A 26 21.661 3.747 -14.379 1.00 35.32 C ATOM 403 CG1 VAL A 26 20.658 4.498 -13.516 1.00 71.30 C ATOM 404 CG2 VAL A 26 21.293 2.274 -14.479 1.00 15.00 C ATOM 0 H VAL A 26 21.807 6.395 -15.213 1.00 61.43 H new ATOM 0 HA VAL A 26 22.389 3.760 -16.409 1.00 54.43 H new ATOM 0 HB VAL A 26 22.640 3.823 -13.905 1.00 35.32 H new ATOM 0 HG11 VAL A 26 20.611 4.038 -12.529 1.00 71.30 H new ATOM 0 HG12 VAL A 26 20.970 5.538 -13.417 1.00 71.30 H new ATOM 0 HG13 VAL A 26 19.674 4.457 -13.983 1.00 71.30 H new ATOM 0 HG21 VAL A 26 21.237 1.844 -13.479 1.00 15.00 H new ATOM 0 HG22 VAL A 26 20.326 2.173 -14.972 1.00 15.00 H new ATOM 0 HG23 VAL A 26 22.052 1.748 -15.058 1.00 15.00 H new ATOM 414 N LYS A 27 20.004 3.405 -17.158 1.00 1.01 N ATOM 415 CA LYS A 27 18.696 3.333 -17.797 1.00 53.33 C ATOM 416 C LYS A 27 17.921 2.111 -17.316 1.00 21.40 C ATOM 417 O LYS A 27 18.455 1.271 -16.592 1.00 43.43 O ATOM 418 CB LYS A 27 18.851 3.285 -19.319 1.00 52.41 C ATOM 419 CG LYS A 27 19.033 4.652 -19.955 1.00 43.52 C ATOM 420 CD LYS A 27 19.037 4.566 -21.472 1.00 73.42 C ATOM 421 CE LYS A 27 18.688 5.903 -22.108 1.00 35.42 C ATOM 422 NZ LYS A 27 17.225 6.178 -22.053 1.00 21.22 N ATOM 0 H LYS A 27 20.613 2.610 -17.354 1.00 1.01 H new ATOM 0 HA LYS A 27 18.136 4.227 -17.522 1.00 53.33 H new ATOM 0 HB2 LYS A 27 19.708 2.660 -19.569 1.00 52.41 H new ATOM 0 HB3 LYS A 27 17.972 2.807 -19.751 1.00 52.41 H new ATOM 0 HG2 LYS A 27 18.232 5.315 -19.630 1.00 43.52 H new ATOM 0 HG3 LYS A 27 19.970 5.092 -19.612 1.00 43.52 H new ATOM 0 HD2 LYS A 27 20.020 4.244 -21.816 1.00 73.42 H new ATOM 0 HD3 LYS A 27 18.322 3.810 -21.796 1.00 73.42 H new ATOM 0 HE2 LYS A 27 19.227 6.700 -21.596 1.00 35.42 H new ATOM 0 HE3 LYS A 27 19.020 5.909 -23.146 1.00 35.42 H new ATOM 0 HZ1 LYS A 27 17.017 7.056 -22.570 1.00 21.22 H new ATOM 0 HZ2 LYS A 27 16.707 5.389 -22.489 1.00 21.22 H new ATOM 0 HZ3 LYS A 27 16.928 6.282 -21.062 1.00 21.22 H new ATOM 436 N ASN A 28 16.660 2.016 -17.724 1.00 53.50 N ATOM 437 CA ASN A 28 15.812 0.895 -17.335 1.00 1.33 C ATOM 438 C ASN A 28 15.867 -0.216 -18.378 1.00 71.23 C ATOM 439 O ASN A 28 15.952 -1.396 -18.039 1.00 11.35 O ATOM 440 CB ASN A 28 14.367 1.363 -17.146 1.00 64.53 C ATOM 441 CG ASN A 28 13.737 0.799 -15.887 1.00 71.25 C ATOM 442 OD1 ASN A 28 12.651 0.220 -15.929 1.00 64.34 O ATOM 443 ND2 ASN A 28 14.417 0.967 -14.759 1.00 71.42 N ATOM 0 H ASN A 28 16.202 2.702 -18.324 1.00 53.50 H new ATOM 0 HA ASN A 28 16.185 0.500 -16.390 1.00 1.33 H new ATOM 0 HB2 ASN A 28 14.343 2.452 -17.105 1.00 64.53 H new ATOM 0 HB3 ASN A 28 13.775 1.064 -18.011 1.00 64.53 H new ATOM 0 HD21 ASN A 28 14.043 0.610 -13.880 1.00 71.42 H new ATOM 0 HD22 ASN A 28 15.314 1.453 -14.772 1.00 71.42 H new ATOM 450 N GLU A 29 15.818 0.170 -19.649 1.00 43.05 N ATOM 451 CA GLU A 29 15.862 -0.794 -20.742 1.00 62.33 C ATOM 452 C GLU A 29 17.222 -1.484 -20.805 1.00 42.44 C ATOM 453 O GLU A 29 17.348 -2.584 -21.342 1.00 41.44 O ATOM 454 CB GLU A 29 15.567 -0.102 -22.075 1.00 34.53 C ATOM 455 CG GLU A 29 16.646 0.876 -22.505 1.00 42.20 C ATOM 456 CD GLU A 29 16.209 1.756 -23.660 1.00 1.41 C ATOM 457 OE1 GLU A 29 15.129 1.494 -24.229 1.00 71.33 O ATOM 458 OE2 GLU A 29 16.946 2.707 -23.994 1.00 64.03 O ATOM 0 H GLU A 29 15.748 1.143 -19.947 1.00 43.05 H new ATOM 0 HA GLU A 29 15.099 -1.550 -20.556 1.00 62.33 H new ATOM 0 HB2 GLU A 29 15.446 -0.860 -22.849 1.00 34.53 H new ATOM 0 HB3 GLU A 29 14.618 0.428 -21.997 1.00 34.53 H new ATOM 0 HG2 GLU A 29 16.920 1.505 -21.658 1.00 42.20 H new ATOM 0 HG3 GLU A 29 17.539 0.322 -22.793 1.00 42.20 H new ATOM 465 N ALA A 30 18.238 -0.828 -20.253 1.00 54.41 N ATOM 466 CA ALA A 30 19.588 -1.377 -20.245 1.00 12.32 C ATOM 467 C ALA A 30 19.659 -2.645 -19.402 1.00 24.25 C ATOM 468 O ALA A 30 18.668 -3.058 -18.799 1.00 64.55 O ATOM 469 CB ALA A 30 20.576 -0.341 -19.729 1.00 14.03 C ATOM 0 H ALA A 30 18.151 0.085 -19.806 1.00 54.41 H new ATOM 0 HA ALA A 30 19.854 -1.638 -21.269 1.00 12.32 H new ATOM 0 HB1 ALA A 30 21.580 -0.765 -19.728 1.00 14.03 H new ATOM 0 HB2 ALA A 30 20.553 0.537 -20.375 1.00 14.03 H new ATOM 0 HB3 ALA A 30 20.303 -0.052 -18.714 1.00 14.03 H new ATOM 475 N SER A 31 20.838 -3.259 -19.363 1.00 74.24 N ATOM 476 CA SER A 31 21.037 -4.484 -18.597 1.00 50.22 C ATOM 477 C SER A 31 22.301 -4.393 -17.748 1.00 21.43 C ATOM 478 O SER A 31 23.095 -3.464 -17.892 1.00 50.44 O ATOM 479 CB SER A 31 21.124 -5.689 -19.535 1.00 64.05 C ATOM 480 OG SER A 31 21.292 -6.892 -18.806 1.00 24.21 O ATOM 0 H SER A 31 21.669 -2.928 -19.853 1.00 74.24 H new ATOM 0 HA SER A 31 20.182 -4.612 -17.933 1.00 50.22 H new ATOM 0 HB2 SER A 31 20.219 -5.750 -20.139 1.00 64.05 H new ATOM 0 HB3 SER A 31 21.959 -5.558 -20.224 1.00 64.05 H new ATOM 0 HG SER A 31 20.999 -7.650 -19.354 1.00 24.21 H new ATOM 486 N PHE A 32 22.481 -5.367 -16.861 1.00 1.52 N ATOM 487 CA PHE A 32 23.648 -5.398 -15.986 1.00 53.34 C ATOM 488 C PHE A 32 24.900 -5.789 -16.765 1.00 24.44 C ATOM 489 O PHE A 32 25.995 -5.298 -16.489 1.00 61.11 O ATOM 490 CB PHE A 32 23.422 -6.379 -14.834 1.00 52.12 C ATOM 491 CG PHE A 32 22.145 -6.136 -14.082 1.00 34.21 C ATOM 492 CD1 PHE A 32 21.601 -4.864 -14.006 1.00 2.15 C ATOM 493 CD2 PHE A 32 21.487 -7.180 -13.452 1.00 23.44 C ATOM 494 CE1 PHE A 32 20.427 -4.638 -13.313 1.00 54.12 C ATOM 495 CE2 PHE A 32 20.312 -6.960 -12.758 1.00 70.41 C ATOM 496 CZ PHE A 32 19.781 -5.688 -12.690 1.00 15.43 C ATOM 0 H PHE A 32 21.834 -6.145 -16.729 1.00 1.52 H new ATOM 0 HA PHE A 32 23.793 -4.398 -15.578 1.00 53.34 H new ATOM 0 HB2 PHE A 32 23.414 -7.395 -15.229 1.00 52.12 H new ATOM 0 HB3 PHE A 32 24.261 -6.313 -14.141 1.00 52.12 H new ATOM 0 HD1 PHE A 32 22.100 -4.040 -14.494 1.00 2.15 H new ATOM 0 HD2 PHE A 32 21.897 -8.178 -13.504 1.00 23.44 H new ATOM 0 HE1 PHE A 32 20.015 -3.641 -13.259 1.00 54.12 H new ATOM 0 HE2 PHE A 32 19.810 -7.782 -12.270 1.00 70.41 H new ATOM 0 HZ PHE A 32 18.862 -5.514 -12.150 1.00 15.43 H new ATOM 506 N VAL A 33 24.731 -6.678 -17.738 1.00 62.43 N ATOM 507 CA VAL A 33 25.847 -7.137 -18.558 1.00 11.45 C ATOM 508 C VAL A 33 25.510 -7.051 -20.042 1.00 4.41 C ATOM 509 O VAL A 33 26.354 -6.684 -20.860 1.00 63.41 O ATOM 510 CB VAL A 33 26.237 -8.586 -18.214 1.00 21.40 C ATOM 511 CG1 VAL A 33 27.366 -9.064 -19.115 1.00 11.50 C ATOM 512 CG2 VAL A 33 26.630 -8.699 -16.749 1.00 33.14 C ATOM 0 H VAL A 33 23.832 -7.095 -17.978 1.00 62.43 H new ATOM 0 HA VAL A 33 26.690 -6.481 -18.342 1.00 11.45 H new ATOM 0 HB VAL A 33 25.372 -9.226 -18.385 1.00 21.40 H new ATOM 0 HG11 VAL A 33 27.628 -10.090 -18.857 1.00 11.50 H new ATOM 0 HG12 VAL A 33 27.044 -9.023 -20.155 1.00 11.50 H new ATOM 0 HG13 VAL A 33 28.237 -8.422 -18.979 1.00 11.50 H new ATOM 0 HG21 VAL A 33 26.903 -9.730 -16.524 1.00 33.14 H new ATOM 0 HG22 VAL A 33 27.480 -8.047 -16.549 1.00 33.14 H new ATOM 0 HG23 VAL A 33 25.789 -8.401 -16.123 1.00 33.14 H new ATOM 522 N ASP A 34 24.272 -7.390 -20.383 1.00 0.13 N ATOM 523 CA ASP A 34 23.822 -7.350 -21.769 1.00 43.43 C ATOM 524 C ASP A 34 24.128 -5.995 -22.401 1.00 14.25 C ATOM 525 O ASP A 34 24.356 -5.898 -23.606 1.00 41.04 O ATOM 526 CB ASP A 34 22.322 -7.637 -21.850 1.00 24.41 C ATOM 527 CG ASP A 34 21.944 -8.390 -23.110 1.00 62.43 C ATOM 528 OD1 ASP A 34 22.524 -9.469 -23.353 1.00 30.32 O ATOM 529 OD2 ASP A 34 21.069 -7.900 -23.855 1.00 21.23 O ATOM 0 H ASP A 34 23.562 -7.696 -19.718 1.00 0.13 H new ATOM 0 HA ASP A 34 24.361 -8.119 -22.322 1.00 43.43 H new ATOM 0 HB2 ASP A 34 22.018 -8.217 -20.979 1.00 24.41 H new ATOM 0 HB3 ASP A 34 21.773 -6.696 -21.814 1.00 24.41 H new ATOM 534 N ASP A 35 24.129 -4.952 -21.578 1.00 55.41 N ATOM 535 CA ASP A 35 24.406 -3.602 -22.055 1.00 55.25 C ATOM 536 C ASP A 35 25.623 -3.015 -21.349 1.00 4.31 C ATOM 537 O ASP A 35 26.628 -2.694 -21.984 1.00 44.45 O ATOM 538 CB ASP A 35 23.189 -2.701 -21.836 1.00 44.40 C ATOM 539 CG ASP A 35 23.164 -1.521 -22.787 1.00 41.54 C ATOM 540 OD1 ASP A 35 22.989 -1.743 -24.003 1.00 63.05 O ATOM 541 OD2 ASP A 35 23.320 -0.374 -22.316 1.00 31.41 O ATOM 0 H ASP A 35 23.941 -5.015 -20.577 1.00 55.41 H new ATOM 0 HA ASP A 35 24.620 -3.657 -23.122 1.00 55.25 H new ATOM 0 HB2 ASP A 35 22.279 -3.287 -21.965 1.00 44.40 H new ATOM 0 HB3 ASP A 35 23.191 -2.336 -20.809 1.00 44.40 H new ATOM 546 N LEU A 36 25.527 -2.876 -20.031 1.00 75.03 N ATOM 547 CA LEU A 36 26.620 -2.326 -19.237 1.00 60.34 C ATOM 548 C LEU A 36 27.927 -3.054 -19.534 1.00 5.31 C ATOM 549 O LEU A 36 28.989 -2.436 -19.615 1.00 34.53 O ATOM 550 CB LEU A 36 26.294 -2.426 -17.746 1.00 63.51 C ATOM 551 CG LEU A 36 25.702 -1.172 -17.103 1.00 32.22 C ATOM 552 CD1 LEU A 36 26.645 0.009 -17.268 1.00 24.00 C ATOM 553 CD2 LEU A 36 24.340 -0.857 -17.704 1.00 33.23 C ATOM 0 H LEU A 36 24.703 -3.137 -19.490 1.00 75.03 H new ATOM 0 HA LEU A 36 26.740 -1.277 -19.506 1.00 60.34 H new ATOM 0 HB2 LEU A 36 25.594 -3.249 -17.602 1.00 63.51 H new ATOM 0 HB3 LEU A 36 27.207 -2.687 -17.212 1.00 63.51 H new ATOM 0 HG LEU A 36 25.572 -1.360 -16.037 1.00 32.22 H new ATOM 0 HD11 LEU A 36 26.206 0.892 -16.804 1.00 24.00 H new ATOM 0 HD12 LEU A 36 27.598 -0.217 -16.790 1.00 24.00 H new ATOM 0 HD13 LEU A 36 26.808 0.199 -18.329 1.00 24.00 H new ATOM 0 HD21 LEU A 36 23.933 0.039 -17.234 1.00 33.23 H new ATOM 0 HD22 LEU A 36 24.445 -0.689 -18.776 1.00 33.23 H new ATOM 0 HD23 LEU A 36 23.664 -1.695 -17.533 1.00 33.23 H new ATOM 565 N GLY A 37 27.842 -4.371 -19.697 1.00 44.55 N ATOM 566 CA GLY A 37 29.025 -5.160 -19.986 1.00 24.24 C ATOM 567 C GLY A 37 29.687 -5.693 -18.730 1.00 73.11 C ATOM 568 O GLY A 37 30.835 -6.134 -18.765 1.00 2.23 O ATOM 0 H GLY A 37 26.975 -4.905 -19.634 1.00 44.55 H new ATOM 0 HA2 GLY A 37 28.753 -5.995 -20.632 1.00 24.24 H new ATOM 0 HA3 GLY A 37 29.739 -4.550 -20.539 1.00 24.24 H new ATOM 572 N ALA A 38 28.961 -5.651 -17.618 1.00 31.35 N ATOM 573 CA ALA A 38 29.484 -6.134 -16.346 1.00 21.04 C ATOM 574 C ALA A 38 29.672 -7.647 -16.368 1.00 63.11 C ATOM 575 O ALA A 38 29.579 -8.278 -17.421 1.00 33.20 O ATOM 576 CB ALA A 38 28.558 -5.732 -15.207 1.00 72.43 C ATOM 0 H ALA A 38 28.009 -5.288 -17.572 1.00 31.35 H new ATOM 0 HA ALA A 38 30.460 -5.675 -16.186 1.00 21.04 H new ATOM 0 HB1 ALA A 38 28.961 -6.099 -14.263 1.00 72.43 H new ATOM 0 HB2 ALA A 38 28.478 -4.646 -15.169 1.00 72.43 H new ATOM 0 HB3 ALA A 38 27.570 -6.163 -15.372 1.00 72.43 H new ATOM 582 N ASP A 39 29.939 -8.223 -15.201 1.00 13.21 N ATOM 583 CA ASP A 39 30.140 -9.663 -15.087 1.00 11.42 C ATOM 584 C ASP A 39 28.996 -10.312 -14.315 1.00 14.35 C ATOM 585 O ASP A 39 28.214 -9.629 -13.653 1.00 2.33 O ATOM 586 CB ASP A 39 31.471 -9.960 -14.395 1.00 45.24 C ATOM 587 CG ASP A 39 31.578 -9.298 -13.036 1.00 21.15 C ATOM 588 OD1 ASP A 39 30.557 -8.763 -12.555 1.00 45.10 O ATOM 589 OD2 ASP A 39 32.682 -9.315 -12.452 1.00 44.21 O ATOM 0 H ASP A 39 30.021 -7.715 -14.320 1.00 13.21 H new ATOM 0 HA ASP A 39 30.160 -10.083 -16.093 1.00 11.42 H new ATOM 0 HB2 ASP A 39 31.585 -11.038 -14.281 1.00 45.24 H new ATOM 0 HB3 ASP A 39 32.290 -9.618 -15.028 1.00 45.24 H new ATOM 594 N SER A 40 28.903 -11.635 -14.405 1.00 12.40 N ATOM 595 CA SER A 40 27.851 -12.376 -13.719 1.00 11.32 C ATOM 596 C SER A 40 27.805 -12.008 -12.239 1.00 35.42 C ATOM 597 O SER A 40 26.742 -12.022 -11.617 1.00 35.45 O ATOM 598 CB SER A 40 28.073 -13.881 -13.876 1.00 22.24 C ATOM 599 OG SER A 40 28.468 -14.204 -15.198 1.00 53.50 O ATOM 0 H SER A 40 29.544 -12.216 -14.946 1.00 12.40 H new ATOM 0 HA SER A 40 26.896 -12.108 -14.172 1.00 11.32 H new ATOM 0 HB2 SER A 40 28.837 -14.214 -13.173 1.00 22.24 H new ATOM 0 HB3 SER A 40 27.156 -14.415 -13.627 1.00 22.24 H new ATOM 0 HG SER A 40 28.605 -15.172 -15.271 1.00 53.50 H new ATOM 605 N LEU A 41 28.964 -11.680 -11.681 1.00 24.03 N ATOM 606 CA LEU A 41 29.058 -11.308 -10.273 1.00 62.41 C ATOM 607 C LEU A 41 28.181 -10.098 -9.970 1.00 34.33 C ATOM 608 O LEU A 41 27.621 -9.983 -8.879 1.00 50.43 O ATOM 609 CB LEU A 41 30.511 -11.005 -9.901 1.00 73.40 C ATOM 610 CG LEU A 41 30.859 -11.109 -8.416 1.00 15.54 C ATOM 611 CD1 LEU A 41 31.041 -12.563 -8.010 1.00 2.32 C ATOM 612 CD2 LEU A 41 32.113 -10.304 -8.104 1.00 75.55 C ATOM 0 H LEU A 41 29.853 -11.664 -12.181 1.00 24.03 H new ATOM 0 HA LEU A 41 28.704 -12.149 -9.676 1.00 62.41 H new ATOM 0 HB2 LEU A 41 31.156 -11.688 -10.454 1.00 73.40 H new ATOM 0 HB3 LEU A 41 30.749 -9.997 -10.240 1.00 73.40 H new ATOM 0 HG LEU A 41 30.032 -10.694 -7.839 1.00 15.54 H new ATOM 0 HD11 LEU A 41 31.288 -12.616 -6.950 1.00 2.32 H new ATOM 0 HD12 LEU A 41 30.117 -13.111 -8.195 1.00 2.32 H new ATOM 0 HD13 LEU A 41 31.848 -13.005 -8.594 1.00 2.32 H new ATOM 0 HD21 LEU A 41 32.346 -10.390 -7.043 1.00 75.55 H new ATOM 0 HD22 LEU A 41 32.947 -10.688 -8.691 1.00 75.55 H new ATOM 0 HD23 LEU A 41 31.945 -9.257 -8.355 1.00 75.55 H new ATOM 624 N ASP A 42 28.063 -9.201 -10.942 1.00 3.42 N ATOM 625 CA ASP A 42 27.251 -8.000 -10.780 1.00 72.43 C ATOM 626 C ASP A 42 25.767 -8.352 -10.723 1.00 25.14 C ATOM 627 O ASP A 42 25.035 -7.864 -9.861 1.00 22.30 O ATOM 628 CB ASP A 42 27.512 -7.024 -11.928 1.00 52.30 C ATOM 629 CG ASP A 42 26.489 -5.906 -11.981 1.00 10.00 C ATOM 630 OD1 ASP A 42 25.931 -5.562 -10.918 1.00 71.22 O ATOM 631 OD2 ASP A 42 26.246 -5.375 -13.085 1.00 71.53 O ATOM 0 H ASP A 42 28.519 -9.282 -11.851 1.00 3.42 H new ATOM 0 HA ASP A 42 27.531 -7.526 -9.839 1.00 72.43 H new ATOM 0 HB2 ASP A 42 28.508 -6.596 -11.818 1.00 52.30 H new ATOM 0 HB3 ASP A 42 27.501 -7.568 -12.873 1.00 52.30 H new ATOM 636 N THR A 43 25.329 -9.202 -11.647 1.00 4.34 N ATOM 637 CA THR A 43 23.934 -9.617 -11.703 1.00 34.13 C ATOM 638 C THR A 43 23.534 -10.375 -10.442 1.00 4.13 C ATOM 639 O THR A 43 22.388 -10.303 -9.999 1.00 10.03 O ATOM 640 CB THR A 43 23.661 -10.507 -12.930 1.00 40.44 C ATOM 641 OG1 THR A 43 24.533 -11.642 -12.916 1.00 44.01 O ATOM 642 CG2 THR A 43 23.859 -9.724 -14.220 1.00 23.50 C ATOM 0 H THR A 43 25.921 -9.616 -12.367 1.00 4.34 H new ATOM 0 HA THR A 43 23.338 -8.708 -11.782 1.00 34.13 H new ATOM 0 HB THR A 43 22.626 -10.845 -12.884 1.00 40.44 H new ATOM 0 HG1 THR A 43 25.236 -11.506 -12.247 1.00 44.01 H new ATOM 0 HG21 THR A 43 23.661 -10.373 -15.073 1.00 23.50 H new ATOM 0 HG22 THR A 43 23.173 -8.877 -14.241 1.00 23.50 H new ATOM 0 HG23 THR A 43 24.885 -9.361 -14.271 1.00 23.50 H new ATOM 650 N VAL A 44 24.488 -11.101 -9.866 1.00 73.14 N ATOM 651 CA VAL A 44 24.236 -11.871 -8.654 1.00 74.23 C ATOM 652 C VAL A 44 24.056 -10.955 -7.449 1.00 31.42 C ATOM 653 O VAL A 44 23.066 -11.054 -6.725 1.00 54.30 O ATOM 654 CB VAL A 44 25.382 -12.859 -8.368 1.00 42.03 C ATOM 655 CG1 VAL A 44 25.113 -13.633 -7.087 1.00 70.52 C ATOM 656 CG2 VAL A 44 25.575 -13.806 -9.543 1.00 55.01 C ATOM 0 H VAL A 44 25.442 -11.172 -10.220 1.00 73.14 H new ATOM 0 HA VAL A 44 23.316 -12.432 -8.821 1.00 74.23 H new ATOM 0 HB VAL A 44 26.303 -12.291 -8.234 1.00 42.03 H new ATOM 0 HG11 VAL A 44 25.934 -14.326 -6.902 1.00 70.52 H new ATOM 0 HG12 VAL A 44 25.030 -12.937 -6.252 1.00 70.52 H new ATOM 0 HG13 VAL A 44 24.182 -14.191 -7.188 1.00 70.52 H new ATOM 0 HG21 VAL A 44 26.389 -14.497 -9.323 1.00 55.01 H new ATOM 0 HG22 VAL A 44 24.657 -14.369 -9.712 1.00 55.01 H new ATOM 0 HG23 VAL A 44 25.818 -13.232 -10.437 1.00 55.01 H new ATOM 666 N GLU A 45 25.020 -10.065 -7.240 1.00 44.31 N ATOM 667 CA GLU A 45 24.968 -9.131 -6.121 1.00 60.02 C ATOM 668 C GLU A 45 23.724 -8.252 -6.204 1.00 54.32 C ATOM 669 O GLU A 45 23.159 -7.857 -5.183 1.00 73.40 O ATOM 670 CB GLU A 45 26.223 -8.256 -6.099 1.00 23.43 C ATOM 671 CG GLU A 45 26.402 -7.416 -7.352 1.00 1.12 C ATOM 672 CD GLU A 45 27.573 -6.458 -7.249 1.00 51.34 C ATOM 673 OE1 GLU A 45 28.100 -6.284 -6.131 1.00 1.44 O ATOM 674 OE2 GLU A 45 27.962 -5.882 -8.287 1.00 14.00 O ATOM 0 H GLU A 45 25.846 -9.971 -7.830 1.00 44.31 H new ATOM 0 HA GLU A 45 24.922 -9.711 -5.199 1.00 60.02 H new ATOM 0 HB2 GLU A 45 26.180 -7.596 -5.233 1.00 23.43 H new ATOM 0 HB3 GLU A 45 27.098 -8.894 -5.971 1.00 23.43 H new ATOM 0 HG2 GLU A 45 26.550 -8.074 -8.208 1.00 1.12 H new ATOM 0 HG3 GLU A 45 25.489 -6.850 -7.539 1.00 1.12 H new ATOM 681 N LEU A 46 23.302 -7.947 -7.427 1.00 21.54 N ATOM 682 CA LEU A 46 22.125 -7.114 -7.645 1.00 33.13 C ATOM 683 C LEU A 46 20.852 -7.854 -7.244 1.00 43.21 C ATOM 684 O LEU A 46 20.086 -7.382 -6.404 1.00 32.31 O ATOM 685 CB LEU A 46 22.041 -6.689 -9.112 1.00 32.32 C ATOM 686 CG LEU A 46 23.020 -5.600 -9.552 1.00 73.32 C ATOM 687 CD1 LEU A 46 22.981 -5.427 -11.063 1.00 25.34 C ATOM 688 CD2 LEU A 46 22.704 -4.285 -8.855 1.00 34.33 C ATOM 0 H LEU A 46 23.758 -8.264 -8.282 1.00 21.54 H new ATOM 0 HA LEU A 46 22.219 -6.225 -7.021 1.00 33.13 H new ATOM 0 HB2 LEU A 46 22.204 -7.569 -9.734 1.00 32.32 H new ATOM 0 HB3 LEU A 46 21.028 -6.341 -9.311 1.00 32.32 H new ATOM 0 HG LEU A 46 24.027 -5.906 -9.267 1.00 73.32 H new ATOM 0 HD11 LEU A 46 23.684 -4.648 -11.358 1.00 25.34 H new ATOM 0 HD12 LEU A 46 23.256 -6.366 -11.544 1.00 25.34 H new ATOM 0 HD13 LEU A 46 21.975 -5.143 -11.371 1.00 25.34 H new ATOM 0 HD21 LEU A 46 23.411 -3.522 -9.180 1.00 34.33 H new ATOM 0 HD22 LEU A 46 21.691 -3.973 -9.109 1.00 34.33 H new ATOM 0 HD23 LEU A 46 22.784 -4.417 -7.776 1.00 34.33 H new ATOM 700 N VAL A 47 20.634 -9.017 -7.850 1.00 5.05 N ATOM 701 CA VAL A 47 19.457 -9.824 -7.554 1.00 31.12 C ATOM 702 C VAL A 47 19.297 -10.033 -6.052 1.00 60.42 C ATOM 703 O VAL A 47 18.191 -9.953 -5.518 1.00 42.53 O ATOM 704 CB VAL A 47 19.529 -11.197 -8.248 1.00 31.34 C ATOM 705 CG1 VAL A 47 18.339 -12.059 -7.852 1.00 3.20 C ATOM 706 CG2 VAL A 47 19.596 -11.028 -9.758 1.00 1.11 C ATOM 0 H VAL A 47 21.257 -9.421 -8.549 1.00 5.05 H new ATOM 0 HA VAL A 47 18.594 -9.277 -7.935 1.00 31.12 H new ATOM 0 HB VAL A 47 20.438 -11.702 -7.921 1.00 31.34 H new ATOM 0 HG11 VAL A 47 18.407 -13.025 -8.352 1.00 3.20 H new ATOM 0 HG12 VAL A 47 18.341 -12.208 -6.772 1.00 3.20 H new ATOM 0 HG13 VAL A 47 17.415 -11.562 -8.148 1.00 3.20 H new ATOM 0 HG21 VAL A 47 19.646 -12.008 -10.232 1.00 1.11 H new ATOM 0 HG22 VAL A 47 18.706 -10.502 -10.105 1.00 1.11 H new ATOM 0 HG23 VAL A 47 20.483 -10.452 -10.021 1.00 1.11 H new ATOM 716 N MET A 48 20.409 -10.302 -5.376 1.00 62.41 N ATOM 717 CA MET A 48 20.393 -10.522 -3.934 1.00 55.45 C ATOM 718 C MET A 48 20.023 -9.240 -3.194 1.00 33.31 C ATOM 719 O MET A 48 19.219 -9.261 -2.262 1.00 41.13 O ATOM 720 CB MET A 48 21.756 -11.025 -3.458 1.00 5.52 C ATOM 721 CG MET A 48 22.251 -12.248 -4.213 1.00 11.24 C ATOM 722 SD MET A 48 22.277 -13.732 -3.189 1.00 4.11 S ATOM 723 CE MET A 48 23.901 -13.600 -2.443 1.00 73.15 C ATOM 0 H MET A 48 21.332 -10.373 -5.803 1.00 62.41 H new ATOM 0 HA MET A 48 19.639 -11.278 -3.715 1.00 55.45 H new ATOM 0 HB2 MET A 48 22.487 -10.223 -3.563 1.00 5.52 H new ATOM 0 HB3 MET A 48 21.695 -11.264 -2.396 1.00 5.52 H new ATOM 0 HG2 MET A 48 21.611 -12.420 -5.079 1.00 11.24 H new ATOM 0 HG3 MET A 48 23.255 -12.055 -4.592 1.00 11.24 H new ATOM 0 HE1 MET A 48 24.067 -14.449 -1.780 1.00 73.15 H new ATOM 0 HE2 MET A 48 24.661 -13.596 -3.224 1.00 73.15 H new ATOM 0 HE3 MET A 48 23.964 -12.675 -1.871 1.00 73.15 H new ATOM 733 N ALA A 49 20.615 -8.127 -3.614 1.00 73.34 N ATOM 734 CA ALA A 49 20.346 -6.837 -2.992 1.00 12.01 C ATOM 735 C ALA A 49 18.862 -6.492 -3.063 1.00 43.43 C ATOM 736 O ALA A 49 18.331 -5.806 -2.189 1.00 2.41 O ATOM 737 CB ALA A 49 21.176 -5.748 -3.655 1.00 52.21 C ATOM 0 H ALA A 49 21.284 -8.093 -4.383 1.00 73.34 H new ATOM 0 HA ALA A 49 20.627 -6.903 -1.941 1.00 12.01 H new ATOM 0 HB1 ALA A 49 20.965 -4.790 -3.180 1.00 52.21 H new ATOM 0 HB2 ALA A 49 22.235 -5.981 -3.547 1.00 52.21 H new ATOM 0 HB3 ALA A 49 20.923 -5.692 -4.714 1.00 52.21 H new ATOM 743 N LEU A 50 18.198 -6.970 -4.110 1.00 1.24 N ATOM 744 CA LEU A 50 16.775 -6.711 -4.296 1.00 15.13 C ATOM 745 C LEU A 50 15.937 -7.578 -3.361 1.00 73.05 C ATOM 746 O LEU A 50 15.124 -7.069 -2.590 1.00 73.55 O ATOM 747 CB LEU A 50 16.374 -6.972 -5.749 1.00 21.43 C ATOM 748 CG LEU A 50 17.017 -6.062 -6.796 1.00 74.21 C ATOM 749 CD1 LEU A 50 16.848 -6.649 -8.189 1.00 34.01 C ATOM 750 CD2 LEU A 50 16.418 -4.665 -6.728 1.00 12.12 C ATOM 0 H LEU A 50 18.622 -7.539 -4.843 1.00 1.24 H new ATOM 0 HA LEU A 50 16.587 -5.664 -4.057 1.00 15.13 H new ATOM 0 HB2 LEU A 50 16.621 -8.005 -5.993 1.00 21.43 H new ATOM 0 HB3 LEU A 50 15.291 -6.876 -5.829 1.00 21.43 H new ATOM 0 HG LEU A 50 18.083 -5.989 -6.581 1.00 74.21 H new ATOM 0 HD11 LEU A 50 17.312 -5.988 -8.921 1.00 34.01 H new ATOM 0 HD12 LEU A 50 17.324 -7.628 -8.231 1.00 34.01 H new ATOM 0 HD13 LEU A 50 15.786 -6.752 -8.414 1.00 34.01 H new ATOM 0 HD21 LEU A 50 16.887 -4.031 -7.480 1.00 12.12 H new ATOM 0 HD22 LEU A 50 15.346 -4.719 -6.917 1.00 12.12 H new ATOM 0 HD23 LEU A 50 16.591 -4.243 -5.738 1.00 12.12 H new ATOM 762 N GLU A 51 16.143 -8.889 -3.436 1.00 20.25 N ATOM 763 CA GLU A 51 15.407 -9.826 -2.595 1.00 20.31 C ATOM 764 C GLU A 51 15.678 -9.560 -1.117 1.00 13.30 C ATOM 765 O GLU A 51 14.925 -10.000 -0.249 1.00 12.31 O ATOM 766 CB GLU A 51 15.789 -11.267 -2.943 1.00 11.50 C ATOM 767 CG GLU A 51 17.151 -11.680 -2.412 1.00 21.31 C ATOM 768 CD GLU A 51 17.493 -13.120 -2.743 1.00 24.04 C ATOM 769 OE1 GLU A 51 17.585 -13.448 -3.944 1.00 11.11 O ATOM 770 OE2 GLU A 51 17.670 -13.919 -1.799 1.00 2.21 O ATOM 0 H GLU A 51 16.812 -9.326 -4.070 1.00 20.25 H new ATOM 0 HA GLU A 51 14.343 -9.684 -2.783 1.00 20.31 H new ATOM 0 HB2 GLU A 51 15.032 -11.942 -2.542 1.00 11.50 H new ATOM 0 HB3 GLU A 51 15.780 -11.385 -4.027 1.00 11.50 H new ATOM 0 HG2 GLU A 51 17.914 -11.024 -2.830 1.00 21.31 H new ATOM 0 HG3 GLU A 51 17.172 -11.545 -1.331 1.00 21.31 H new ATOM 777 N GLU A 52 16.758 -8.837 -0.840 1.00 44.33 N ATOM 778 CA GLU A 52 17.129 -8.513 0.532 1.00 2.13 C ATOM 779 C GLU A 52 16.593 -7.141 0.931 1.00 21.15 C ATOM 780 O GLU A 52 15.867 -7.010 1.917 1.00 64.15 O ATOM 781 CB GLU A 52 18.650 -8.545 0.694 1.00 23.13 C ATOM 782 CG GLU A 52 19.112 -8.412 2.136 1.00 71.31 C ATOM 783 CD GLU A 52 19.064 -9.728 2.887 1.00 33.44 C ATOM 784 OE1 GLU A 52 19.093 -10.789 2.228 1.00 14.31 O ATOM 785 OE2 GLU A 52 18.997 -9.698 4.134 1.00 72.41 O ATOM 0 H GLU A 52 17.391 -8.465 -1.547 1.00 44.33 H new ATOM 0 HA GLU A 52 16.685 -9.262 1.188 1.00 2.13 H new ATOM 0 HB2 GLU A 52 19.031 -9.480 0.284 1.00 23.13 H new ATOM 0 HB3 GLU A 52 19.087 -7.738 0.106 1.00 23.13 H new ATOM 0 HG2 GLU A 52 20.131 -8.025 2.153 1.00 71.31 H new ATOM 0 HG3 GLU A 52 18.485 -7.682 2.649 1.00 71.31 H new ATOM 792 N GLU A 53 16.957 -6.122 0.159 1.00 20.20 N ATOM 793 CA GLU A 53 16.514 -4.760 0.433 1.00 31.30 C ATOM 794 C GLU A 53 15.006 -4.629 0.238 1.00 61.21 C ATOM 795 O GLU A 53 14.282 -4.238 1.154 1.00 40.03 O ATOM 796 CB GLU A 53 17.245 -3.770 -0.476 1.00 12.22 C ATOM 797 CG GLU A 53 17.115 -2.324 -0.028 1.00 42.55 C ATOM 798 CD GLU A 53 18.131 -1.948 1.032 1.00 3.35 C ATOM 799 OE1 GLU A 53 18.911 -2.830 1.447 1.00 31.43 O ATOM 800 OE2 GLU A 53 18.146 -0.770 1.448 1.00 45.24 O ATOM 0 H GLU A 53 17.557 -6.214 -0.661 1.00 20.20 H new ATOM 0 HA GLU A 53 16.750 -4.530 1.472 1.00 31.30 H new ATOM 0 HB2 GLU A 53 18.301 -4.036 -0.514 1.00 12.22 H new ATOM 0 HB3 GLU A 53 16.855 -3.864 -1.490 1.00 12.22 H new ATOM 0 HG2 GLU A 53 17.236 -1.668 -0.890 1.00 42.55 H new ATOM 0 HG3 GLU A 53 16.111 -2.157 0.361 1.00 42.55 H new ATOM 807 N PHE A 54 14.540 -4.959 -0.962 1.00 51.41 N ATOM 808 CA PHE A 54 13.119 -4.877 -1.279 1.00 51.52 C ATOM 809 C PHE A 54 12.356 -6.046 -0.664 1.00 11.02 C ATOM 810 O PHE A 54 11.128 -6.107 -0.735 1.00 43.43 O ATOM 811 CB PHE A 54 12.913 -4.860 -2.795 1.00 41.13 C ATOM 812 CG PHE A 54 13.006 -3.487 -3.398 1.00 32.22 C ATOM 813 CD1 PHE A 54 11.916 -2.631 -3.376 1.00 23.53 C ATOM 814 CD2 PHE A 54 14.183 -3.052 -3.986 1.00 33.33 C ATOM 815 CE1 PHE A 54 11.999 -1.368 -3.930 1.00 71.22 C ATOM 816 CE2 PHE A 54 14.271 -1.790 -4.541 1.00 43.25 C ATOM 817 CZ PHE A 54 13.178 -0.946 -4.513 1.00 21.44 C ATOM 0 H PHE A 54 15.126 -5.286 -1.731 1.00 51.41 H new ATOM 0 HA PHE A 54 12.731 -3.950 -0.856 1.00 51.52 H new ATOM 0 HB2 PHE A 54 13.658 -5.504 -3.262 1.00 41.13 H new ATOM 0 HB3 PHE A 54 11.936 -5.284 -3.025 1.00 41.13 H new ATOM 0 HD1 PHE A 54 10.992 -2.955 -2.921 1.00 23.53 H new ATOM 0 HD2 PHE A 54 15.041 -3.707 -4.011 1.00 33.33 H new ATOM 0 HE1 PHE A 54 11.142 -0.711 -3.907 1.00 71.22 H new ATOM 0 HE2 PHE A 54 15.194 -1.463 -4.997 1.00 43.25 H new ATOM 0 HZ PHE A 54 13.245 0.041 -4.946 1.00 21.44 H new ATOM 827 N ASP A 55 13.092 -6.973 -0.060 1.00 40.44 N ATOM 828 CA ASP A 55 12.486 -8.141 0.568 1.00 1.43 C ATOM 829 C ASP A 55 11.524 -8.835 -0.390 1.00 34.52 C ATOM 830 O ASP A 55 10.385 -9.139 -0.032 1.00 71.22 O ATOM 831 CB ASP A 55 11.749 -7.734 1.846 1.00 63.25 C ATOM 832 CG ASP A 55 11.610 -8.884 2.824 1.00 14.20 C ATOM 833 OD1 ASP A 55 11.563 -10.047 2.371 1.00 41.21 O ATOM 834 OD2 ASP A 55 11.548 -8.621 4.043 1.00 55.50 O ATOM 0 H ASP A 55 14.109 -6.938 0.008 1.00 40.44 H new ATOM 0 HA ASP A 55 13.282 -8.840 0.824 1.00 1.43 H new ATOM 0 HB2 ASP A 55 12.285 -6.915 2.326 1.00 63.25 H new ATOM 0 HB3 ASP A 55 10.759 -7.359 1.587 1.00 63.25 H new ATOM 839 N THR A 56 11.988 -9.084 -1.610 1.00 61.15 N ATOM 840 CA THR A 56 11.169 -9.741 -2.621 1.00 15.30 C ATOM 841 C THR A 56 11.654 -11.162 -2.884 1.00 15.21 C ATOM 842 O THR A 56 12.851 -11.400 -3.033 1.00 64.32 O ATOM 843 CB THR A 56 11.174 -8.955 -3.946 1.00 30.20 C ATOM 844 OG1 THR A 56 10.470 -9.689 -4.954 1.00 33.43 O ATOM 845 CG2 THR A 56 12.598 -8.686 -4.409 1.00 54.35 C ATOM 0 H THR A 56 12.928 -8.840 -1.922 1.00 61.15 H new ATOM 0 HA THR A 56 10.152 -9.774 -2.231 1.00 15.30 H new ATOM 0 HB THR A 56 10.676 -8.000 -3.779 1.00 30.20 H new ATOM 0 HG1 THR A 56 10.752 -9.381 -5.840 1.00 33.43 H new ATOM 0 HG21 THR A 56 12.577 -8.130 -5.346 1.00 54.35 H new ATOM 0 HG22 THR A 56 13.122 -8.102 -3.652 1.00 54.35 H new ATOM 0 HG23 THR A 56 13.116 -9.633 -4.560 1.00 54.35 H new ATOM 853 N GLU A 57 10.715 -12.102 -2.940 1.00 0.32 N ATOM 854 CA GLU A 57 11.049 -13.500 -3.185 1.00 12.21 C ATOM 855 C GLU A 57 11.683 -13.674 -4.562 1.00 25.43 C ATOM 856 O GLU A 57 11.024 -13.502 -5.587 1.00 52.10 O ATOM 857 CB GLU A 57 9.797 -14.373 -3.074 1.00 23.13 C ATOM 858 CG GLU A 57 10.026 -15.819 -3.479 1.00 63.41 C ATOM 859 CD GLU A 57 9.090 -16.779 -2.771 1.00 21.14 C ATOM 860 OE1 GLU A 57 7.899 -16.828 -3.141 1.00 33.52 O ATOM 861 OE2 GLU A 57 9.550 -17.481 -1.846 1.00 31.14 O ATOM 0 H GLU A 57 9.719 -11.921 -2.819 1.00 0.32 H new ATOM 0 HA GLU A 57 11.770 -13.813 -2.430 1.00 12.21 H new ATOM 0 HB2 GLU A 57 9.435 -14.345 -2.046 1.00 23.13 H new ATOM 0 HB3 GLU A 57 9.012 -13.949 -3.700 1.00 23.13 H new ATOM 0 HG2 GLU A 57 9.893 -15.916 -4.556 1.00 63.41 H new ATOM 0 HG3 GLU A 57 11.057 -16.095 -3.259 1.00 63.41 H new ATOM 868 N ILE A 58 12.967 -14.017 -4.576 1.00 2.34 N ATOM 869 CA ILE A 58 13.691 -14.215 -5.825 1.00 72.03 C ATOM 870 C ILE A 58 14.473 -15.524 -5.806 1.00 33.10 C ATOM 871 O ILE A 58 15.688 -15.548 -5.608 1.00 14.44 O ATOM 872 CB ILE A 58 14.663 -13.053 -6.103 1.00 62.53 C ATOM 873 CG1 ILE A 58 13.901 -11.729 -6.178 1.00 43.35 C ATOM 874 CG2 ILE A 58 15.431 -13.303 -7.393 1.00 4.24 C ATOM 875 CD1 ILE A 58 12.926 -11.657 -7.333 1.00 22.13 C ATOM 0 H ILE A 58 13.527 -14.163 -3.736 1.00 2.34 H new ATOM 0 HA ILE A 58 12.945 -14.252 -6.619 1.00 72.03 H new ATOM 0 HB ILE A 58 15.378 -12.992 -5.283 1.00 62.53 H new ATOM 0 HG12 ILE A 58 13.358 -11.578 -5.245 1.00 43.35 H new ATOM 0 HG13 ILE A 58 14.617 -10.912 -6.266 1.00 43.35 H new ATOM 0 HG21 ILE A 58 16.114 -12.474 -7.576 1.00 4.24 H new ATOM 0 HG22 ILE A 58 16.000 -14.229 -7.304 1.00 4.24 H new ATOM 0 HG23 ILE A 58 14.730 -13.386 -8.224 1.00 4.24 H new ATOM 0 HD11 ILE A 58 12.422 -10.691 -7.324 1.00 22.13 H new ATOM 0 HD12 ILE A 58 13.466 -11.776 -8.273 1.00 22.13 H new ATOM 0 HD13 ILE A 58 12.187 -12.453 -7.236 1.00 22.13 H new ATOM 887 N PRO A 59 13.761 -16.641 -6.019 1.00 25.33 N ATOM 888 CA PRO A 59 14.369 -17.975 -6.033 1.00 74.50 C ATOM 889 C PRO A 59 15.260 -18.194 -7.251 1.00 13.20 C ATOM 890 O PRO A 59 15.537 -17.260 -8.004 1.00 60.44 O ATOM 891 CB PRO A 59 13.161 -18.914 -6.079 1.00 75.42 C ATOM 892 CG PRO A 59 12.076 -18.106 -6.704 1.00 22.12 C ATOM 893 CD PRO A 59 12.310 -16.688 -6.262 1.00 51.10 C ATOM 0 HA PRO A 59 15.019 -18.135 -5.173 1.00 74.50 H new ATOM 0 HB2 PRO A 59 13.376 -19.808 -6.665 1.00 75.42 H new ATOM 0 HB3 PRO A 59 12.881 -19.248 -5.080 1.00 75.42 H new ATOM 0 HG2 PRO A 59 12.106 -18.186 -7.791 1.00 22.12 H new ATOM 0 HG3 PRO A 59 11.095 -18.457 -6.385 1.00 22.12 H new ATOM 0 HD2 PRO A 59 12.008 -15.973 -7.028 1.00 51.10 H new ATOM 0 HD3 PRO A 59 11.744 -16.449 -5.362 1.00 51.10 H new ATOM 901 N ASP A 60 15.705 -19.431 -7.438 1.00 71.32 N ATOM 902 CA ASP A 60 16.564 -19.772 -8.566 1.00 72.43 C ATOM 903 C ASP A 60 15.919 -19.358 -9.885 1.00 51.02 C ATOM 904 O ASP A 60 16.522 -18.641 -10.683 1.00 13.11 O ATOM 905 CB ASP A 60 16.856 -21.274 -8.577 1.00 0.44 C ATOM 906 CG ASP A 60 18.041 -21.639 -7.704 1.00 13.10 C ATOM 907 OD1 ASP A 60 19.085 -20.961 -7.807 1.00 20.43 O ATOM 908 OD2 ASP A 60 17.923 -22.602 -6.918 1.00 3.33 O ATOM 0 H ASP A 60 15.485 -20.215 -6.823 1.00 71.32 H new ATOM 0 HA ASP A 60 17.502 -19.228 -8.454 1.00 72.43 H new ATOM 0 HB2 ASP A 60 15.975 -21.815 -8.233 1.00 0.44 H new ATOM 0 HB3 ASP A 60 17.049 -21.596 -9.600 1.00 0.44 H new ATOM 913 N GLU A 61 14.691 -19.816 -10.107 1.00 54.40 N ATOM 914 CA GLU A 61 13.965 -19.493 -11.330 1.00 65.44 C ATOM 915 C GLU A 61 13.949 -17.987 -11.572 1.00 53.22 C ATOM 916 O GLU A 61 14.503 -17.500 -12.557 1.00 23.12 O ATOM 917 CB GLU A 61 12.533 -20.025 -11.255 1.00 74.05 C ATOM 918 CG GLU A 61 12.415 -21.505 -11.577 1.00 21.54 C ATOM 919 CD GLU A 61 12.546 -21.793 -13.060 1.00 1.13 C ATOM 920 OE1 GLU A 61 11.844 -21.134 -13.855 1.00 71.23 O ATOM 921 OE2 GLU A 61 13.350 -22.676 -13.425 1.00 11.12 O ATOM 0 H GLU A 61 14.178 -20.411 -9.457 1.00 54.40 H new ATOM 0 HA GLU A 61 14.479 -19.971 -12.164 1.00 65.44 H new ATOM 0 HB2 GLU A 61 12.141 -19.847 -10.254 1.00 74.05 H new ATOM 0 HB3 GLU A 61 11.908 -19.460 -11.947 1.00 74.05 H new ATOM 0 HG2 GLU A 61 13.186 -22.053 -11.035 1.00 21.54 H new ATOM 0 HG3 GLU A 61 11.452 -21.874 -11.223 1.00 21.54 H new ATOM 928 N GLU A 62 13.308 -17.255 -10.666 1.00 75.12 N ATOM 929 CA GLU A 62 13.217 -15.804 -10.782 1.00 22.31 C ATOM 930 C GLU A 62 14.605 -15.179 -10.887 1.00 24.40 C ATOM 931 O GLU A 62 14.767 -14.090 -11.437 1.00 24.52 O ATOM 932 CB GLU A 62 12.472 -15.220 -9.580 1.00 5.13 C ATOM 933 CG GLU A 62 11.054 -15.742 -9.430 1.00 34.40 C ATOM 934 CD GLU A 62 10.300 -15.771 -10.746 1.00 5.12 C ATOM 935 OE1 GLU A 62 10.560 -16.684 -11.557 1.00 73.23 O ATOM 936 OE2 GLU A 62 9.453 -14.881 -10.964 1.00 53.43 O ATOM 0 H GLU A 62 12.844 -17.643 -9.844 1.00 75.12 H new ATOM 0 HA GLU A 62 12.663 -15.572 -11.691 1.00 22.31 H new ATOM 0 HB2 GLU A 62 13.031 -15.446 -8.672 1.00 5.13 H new ATOM 0 HB3 GLU A 62 12.442 -14.134 -9.674 1.00 5.13 H new ATOM 0 HG2 GLU A 62 11.084 -16.748 -9.010 1.00 34.40 H new ATOM 0 HG3 GLU A 62 10.514 -15.116 -8.720 1.00 34.40 H new ATOM 943 N ALA A 63 15.604 -15.877 -10.355 1.00 73.10 N ATOM 944 CA ALA A 63 16.978 -15.392 -10.390 1.00 31.42 C ATOM 945 C ALA A 63 17.591 -15.580 -11.773 1.00 42.43 C ATOM 946 O ALA A 63 18.504 -14.851 -12.161 1.00 23.35 O ATOM 947 CB ALA A 63 17.816 -16.105 -9.338 1.00 55.22 C ATOM 0 H ALA A 63 15.487 -16.780 -9.895 1.00 73.10 H new ATOM 0 HA ALA A 63 16.967 -14.325 -10.168 1.00 31.42 H new ATOM 0 HB1 ALA A 63 18.840 -15.733 -9.375 1.00 55.22 H new ATOM 0 HB2 ALA A 63 17.397 -15.916 -8.350 1.00 55.22 H new ATOM 0 HB3 ALA A 63 17.812 -17.177 -9.535 1.00 55.22 H new ATOM 953 N GLU A 64 17.083 -16.561 -12.513 1.00 4.50 N ATOM 954 CA GLU A 64 17.584 -16.843 -13.853 1.00 73.31 C ATOM 955 C GLU A 64 16.946 -15.912 -14.880 1.00 14.12 C ATOM 956 O GLU A 64 17.538 -15.613 -15.917 1.00 73.42 O ATOM 957 CB GLU A 64 17.306 -18.300 -14.228 1.00 62.53 C ATOM 958 CG GLU A 64 18.394 -19.262 -13.781 1.00 44.01 C ATOM 959 CD GLU A 64 18.419 -20.537 -14.601 1.00 63.22 C ATOM 960 OE1 GLU A 64 18.166 -20.462 -15.822 1.00 11.21 O ATOM 961 OE2 GLU A 64 18.692 -21.610 -14.023 1.00 54.11 O ATOM 0 H GLU A 64 16.326 -17.173 -12.208 1.00 4.50 H new ATOM 0 HA GLU A 64 18.661 -16.673 -13.854 1.00 73.31 H new ATOM 0 HB2 GLU A 64 16.358 -18.606 -13.785 1.00 62.53 H new ATOM 0 HB3 GLU A 64 17.191 -18.372 -15.309 1.00 62.53 H new ATOM 0 HG2 GLU A 64 19.363 -18.768 -13.855 1.00 44.01 H new ATOM 0 HG3 GLU A 64 18.243 -19.513 -12.731 1.00 44.01 H new ATOM 968 N LYS A 65 15.733 -15.456 -14.583 1.00 63.13 N ATOM 969 CA LYS A 65 15.013 -14.558 -15.478 1.00 71.22 C ATOM 970 C LYS A 65 15.375 -13.104 -15.197 1.00 3.52 C ATOM 971 O LYS A 65 15.406 -12.275 -16.107 1.00 40.31 O ATOM 972 CB LYS A 65 13.503 -14.757 -15.327 1.00 21.20 C ATOM 973 CG LYS A 65 12.926 -14.109 -14.081 1.00 10.33 C ATOM 974 CD LYS A 65 11.426 -14.329 -13.981 1.00 72.11 C ATOM 975 CE LYS A 65 10.652 -13.228 -14.691 1.00 24.41 C ATOM 976 NZ LYS A 65 9.274 -13.080 -14.147 1.00 70.03 N ATOM 0 H LYS A 65 15.228 -15.694 -13.729 1.00 63.13 H new ATOM 0 HA LYS A 65 15.304 -14.795 -16.501 1.00 71.22 H new ATOM 0 HB2 LYS A 65 13.002 -14.348 -16.204 1.00 21.20 H new ATOM 0 HB3 LYS A 65 13.286 -15.825 -15.305 1.00 21.20 H new ATOM 0 HG2 LYS A 65 13.414 -14.519 -13.197 1.00 10.33 H new ATOM 0 HG3 LYS A 65 13.138 -13.040 -14.095 1.00 10.33 H new ATOM 0 HD2 LYS A 65 11.169 -15.295 -14.416 1.00 72.11 H new ATOM 0 HD3 LYS A 65 11.131 -14.364 -12.932 1.00 72.11 H new ATOM 0 HE2 LYS A 65 11.187 -12.284 -14.588 1.00 24.41 H new ATOM 0 HE3 LYS A 65 10.600 -13.450 -15.757 1.00 24.41 H new ATOM 0 HZ1 LYS A 65 8.779 -12.320 -14.657 1.00 70.03 H new ATOM 0 HZ2 LYS A 65 8.755 -13.973 -14.268 1.00 70.03 H new ATOM 0 HZ3 LYS A 65 9.324 -12.843 -13.136 1.00 70.03 H new ATOM 990 N ILE A 66 15.650 -12.801 -13.933 1.00 10.14 N ATOM 991 CA ILE A 66 16.013 -11.447 -13.533 1.00 52.22 C ATOM 992 C ILE A 66 17.514 -11.218 -13.668 1.00 43.42 C ATOM 993 O ILE A 66 18.278 -11.463 -12.734 1.00 1.22 O ATOM 994 CB ILE A 66 15.589 -11.155 -12.082 1.00 32.44 C ATOM 995 CG1 ILE A 66 14.071 -11.284 -11.935 1.00 2.21 C ATOM 996 CG2 ILE A 66 16.051 -9.768 -11.663 1.00 43.32 C ATOM 997 CD1 ILE A 66 13.300 -10.211 -12.671 1.00 0.53 C ATOM 0 H ILE A 66 15.628 -13.475 -13.168 1.00 10.14 H new ATOM 0 HA ILE A 66 15.483 -10.768 -14.201 1.00 52.22 H new ATOM 0 HB ILE A 66 16.062 -11.887 -11.427 1.00 32.44 H new ATOM 0 HG12 ILE A 66 13.760 -12.261 -12.304 1.00 2.21 H new ATOM 0 HG13 ILE A 66 13.812 -11.245 -10.877 1.00 2.21 H new ATOM 0 HG21 ILE A 66 15.743 -9.577 -10.635 1.00 43.32 H new ATOM 0 HG22 ILE A 66 17.137 -9.710 -11.734 1.00 43.32 H new ATOM 0 HG23 ILE A 66 15.604 -9.022 -12.320 1.00 43.32 H new ATOM 0 HD11 ILE A 66 12.231 -10.365 -12.523 1.00 0.53 H new ATOM 0 HD12 ILE A 66 13.583 -9.231 -12.286 1.00 0.53 H new ATOM 0 HD13 ILE A 66 13.530 -10.263 -13.735 1.00 0.53 H new ATOM 1009 N THR A 67 17.932 -10.743 -14.838 1.00 23.42 N ATOM 1010 CA THR A 67 19.342 -10.480 -15.096 1.00 3.22 C ATOM 1011 C THR A 67 19.534 -9.126 -15.770 1.00 61.21 C ATOM 1012 O THR A 67 20.592 -8.846 -16.334 1.00 44.40 O ATOM 1013 CB THR A 67 19.966 -11.575 -15.982 1.00 14.12 C ATOM 1014 OG1 THR A 67 21.363 -11.321 -16.165 1.00 11.43 O ATOM 1015 CG2 THR A 67 19.274 -11.634 -17.336 1.00 22.35 C ATOM 0 H THR A 67 17.314 -10.533 -15.621 1.00 23.42 H new ATOM 0 HA THR A 67 19.845 -10.476 -14.129 1.00 3.22 H new ATOM 0 HB THR A 67 19.835 -12.535 -15.482 1.00 14.12 H new ATOM 0 HG1 THR A 67 21.492 -10.394 -16.455 1.00 11.43 H new ATOM 0 HG21 THR A 67 19.731 -12.414 -17.945 1.00 22.35 H new ATOM 0 HG22 THR A 67 18.216 -11.857 -17.195 1.00 22.35 H new ATOM 0 HG23 THR A 67 19.378 -10.673 -17.840 1.00 22.35 H new ATOM 1023 N THR A 68 18.504 -8.288 -15.708 1.00 70.04 N ATOM 1024 CA THR A 68 18.559 -6.963 -16.313 1.00 62.35 C ATOM 1025 C THR A 68 17.943 -5.914 -15.396 1.00 55.30 C ATOM 1026 O THR A 68 17.447 -6.233 -14.315 1.00 64.11 O ATOM 1027 CB THR A 68 17.830 -6.935 -17.670 1.00 44.32 C ATOM 1028 OG1 THR A 68 16.481 -7.388 -17.511 1.00 44.14 O ATOM 1029 CG2 THR A 68 18.548 -7.808 -18.688 1.00 73.33 C ATOM 0 H THR A 68 17.621 -8.504 -15.245 1.00 70.04 H new ATOM 0 HA THR A 68 19.612 -6.730 -16.470 1.00 62.35 H new ATOM 0 HB THR A 68 17.827 -5.908 -18.035 1.00 44.32 H new ATOM 0 HG1 THR A 68 16.024 -7.366 -18.378 1.00 44.14 H new ATOM 0 HG21 THR A 68 18.015 -7.772 -19.638 1.00 73.33 H new ATOM 0 HG22 THR A 68 19.565 -7.442 -18.829 1.00 73.33 H new ATOM 0 HG23 THR A 68 18.579 -8.836 -18.328 1.00 73.33 H new ATOM 1037 N VAL A 69 17.975 -4.659 -15.834 1.00 1.01 N ATOM 1038 CA VAL A 69 17.417 -3.562 -15.052 1.00 43.24 C ATOM 1039 C VAL A 69 15.894 -3.571 -15.101 1.00 74.32 C ATOM 1040 O VAL A 69 15.231 -3.714 -14.074 1.00 24.22 O ATOM 1041 CB VAL A 69 17.928 -2.198 -15.555 1.00 73.33 C ATOM 1042 CG1 VAL A 69 17.360 -1.070 -14.708 1.00 4.14 C ATOM 1043 CG2 VAL A 69 19.449 -2.165 -15.553 1.00 35.30 C ATOM 0 H VAL A 69 18.381 -4.377 -16.726 1.00 1.01 H new ATOM 0 HA VAL A 69 17.745 -3.708 -14.023 1.00 43.24 H new ATOM 0 HB VAL A 69 17.586 -2.057 -16.580 1.00 73.33 H new ATOM 0 HG11 VAL A 69 17.732 -0.114 -15.078 1.00 4.14 H new ATOM 0 HG12 VAL A 69 16.272 -1.083 -14.767 1.00 4.14 H new ATOM 0 HG13 VAL A 69 17.669 -1.203 -13.671 1.00 4.14 H new ATOM 0 HG21 VAL A 69 19.792 -1.194 -15.911 1.00 35.30 H new ATOM 0 HG22 VAL A 69 19.815 -2.328 -14.539 1.00 35.30 H new ATOM 0 HG23 VAL A 69 19.831 -2.949 -16.207 1.00 35.30 H new ATOM 1053 N GLN A 70 15.345 -3.418 -16.302 1.00 34.51 N ATOM 1054 CA GLN A 70 13.898 -3.409 -16.484 1.00 71.42 C ATOM 1055 C GLN A 70 13.257 -4.621 -15.815 1.00 2.54 C ATOM 1056 O GLN A 70 12.185 -4.518 -15.219 1.00 3.22 O ATOM 1057 CB GLN A 70 13.551 -3.392 -17.974 1.00 35.12 C ATOM 1058 CG GLN A 70 12.056 -3.426 -18.250 1.00 62.25 C ATOM 1059 CD GLN A 70 11.347 -2.171 -17.783 1.00 2.44 C ATOM 1060 OE1 GLN A 70 11.203 -1.208 -18.536 1.00 42.43 O ATOM 1061 NE2 GLN A 70 10.899 -2.174 -16.532 1.00 65.24 N ATOM 0 H GLN A 70 15.880 -3.299 -17.162 1.00 34.51 H new ATOM 0 HA GLN A 70 13.504 -2.507 -16.015 1.00 71.42 H new ATOM 0 HB2 GLN A 70 13.976 -2.496 -18.427 1.00 35.12 H new ATOM 0 HB3 GLN A 70 14.021 -4.248 -18.458 1.00 35.12 H new ATOM 0 HG2 GLN A 70 11.891 -3.555 -19.320 1.00 62.25 H new ATOM 0 HG3 GLN A 70 11.618 -4.292 -17.753 1.00 62.25 H new ATOM 0 HE21 GLN A 70 11.040 -2.994 -15.942 1.00 65.24 H new ATOM 0 HE22 GLN A 70 10.414 -1.356 -16.162 1.00 65.24 H new ATOM 1070 N ALA A 71 13.921 -5.767 -15.917 1.00 70.32 N ATOM 1071 CA ALA A 71 13.417 -6.998 -15.320 1.00 50.20 C ATOM 1072 C ALA A 71 13.400 -6.903 -13.798 1.00 44.22 C ATOM 1073 O ALA A 71 12.403 -7.233 -13.157 1.00 64.51 O ATOM 1074 CB ALA A 71 14.257 -8.184 -15.768 1.00 25.54 C ATOM 0 H ALA A 71 14.809 -5.869 -16.407 1.00 70.32 H new ATOM 0 HA ALA A 71 12.392 -7.145 -15.660 1.00 50.20 H new ATOM 0 HB1 ALA A 71 13.869 -9.096 -15.315 1.00 25.54 H new ATOM 0 HB2 ALA A 71 14.213 -8.271 -16.854 1.00 25.54 H new ATOM 0 HB3 ALA A 71 15.291 -8.035 -15.457 1.00 25.54 H new ATOM 1080 N ALA A 72 14.511 -6.450 -13.226 1.00 41.41 N ATOM 1081 CA ALA A 72 14.623 -6.310 -11.779 1.00 61.15 C ATOM 1082 C ALA A 72 13.664 -5.247 -11.254 1.00 74.55 C ATOM 1083 O ALA A 72 12.807 -5.531 -10.417 1.00 32.11 O ATOM 1084 CB ALA A 72 16.054 -5.970 -11.391 1.00 44.44 C ATOM 0 H ALA A 72 15.346 -6.174 -13.742 1.00 41.41 H new ATOM 0 HA ALA A 72 14.351 -7.263 -11.325 1.00 61.15 H new ATOM 0 HB1 ALA A 72 16.123 -5.868 -10.308 1.00 44.44 H new ATOM 0 HB2 ALA A 72 16.720 -6.766 -11.724 1.00 44.44 H new ATOM 0 HB3 ALA A 72 16.346 -5.032 -11.863 1.00 44.44 H new ATOM 1090 N ILE A 73 13.814 -4.024 -11.751 1.00 74.32 N ATOM 1091 CA ILE A 73 12.960 -2.920 -11.332 1.00 34.02 C ATOM 1092 C ILE A 73 11.485 -3.293 -11.441 1.00 61.05 C ATOM 1093 O ILE A 73 10.671 -2.902 -10.604 1.00 64.32 O ATOM 1094 CB ILE A 73 13.221 -1.656 -12.171 1.00 45.41 C ATOM 1095 CG1 ILE A 73 12.451 -0.466 -11.595 1.00 0.21 C ATOM 1096 CG2 ILE A 73 12.832 -1.893 -13.622 1.00 71.14 C ATOM 1097 CD1 ILE A 73 13.258 0.362 -10.619 1.00 63.43 C ATOM 0 H ILE A 73 14.519 -3.773 -12.444 1.00 74.32 H new ATOM 0 HA ILE A 73 13.204 -2.711 -10.290 1.00 34.02 H new ATOM 0 HB ILE A 73 14.286 -1.428 -12.134 1.00 45.41 H new ATOM 0 HG12 ILE A 73 12.120 0.173 -12.414 1.00 0.21 H new ATOM 0 HG13 ILE A 73 11.555 -0.832 -11.094 1.00 0.21 H new ATOM 0 HG21 ILE A 73 13.023 -0.990 -14.202 1.00 71.14 H new ATOM 0 HG22 ILE A 73 13.421 -2.716 -14.027 1.00 71.14 H new ATOM 0 HG23 ILE A 73 11.773 -2.144 -13.678 1.00 71.14 H new ATOM 0 HD11 ILE A 73 12.649 1.188 -10.252 1.00 63.43 H new ATOM 0 HD12 ILE A 73 13.567 -0.262 -9.781 1.00 63.43 H new ATOM 0 HD13 ILE A 73 14.141 0.758 -11.121 1.00 63.43 H new ATOM 1109 N ASP A 74 11.148 -4.052 -12.478 1.00 63.50 N ATOM 1110 CA ASP A 74 9.772 -4.482 -12.696 1.00 52.43 C ATOM 1111 C ASP A 74 9.326 -5.451 -11.607 1.00 33.45 C ATOM 1112 O ASP A 74 8.217 -5.344 -11.082 1.00 21.13 O ATOM 1113 CB ASP A 74 9.632 -5.139 -14.070 1.00 72.11 C ATOM 1114 CG ASP A 74 8.211 -5.585 -14.356 1.00 43.15 C ATOM 1115 OD1 ASP A 74 7.862 -6.725 -13.986 1.00 15.32 O ATOM 1116 OD2 ASP A 74 7.450 -4.794 -14.952 1.00 73.22 O ATOM 0 H ASP A 74 11.809 -4.382 -13.181 1.00 63.50 H new ATOM 0 HA ASP A 74 9.132 -3.601 -12.657 1.00 52.43 H new ATOM 0 HB2 ASP A 74 9.951 -4.436 -14.840 1.00 72.11 H new ATOM 0 HB3 ASP A 74 10.299 -6.000 -14.128 1.00 72.11 H new ATOM 1121 N TYR A 75 10.195 -6.398 -11.272 1.00 45.01 N ATOM 1122 CA TYR A 75 9.890 -7.389 -10.247 1.00 71.34 C ATOM 1123 C TYR A 75 9.613 -6.718 -8.906 1.00 34.24 C ATOM 1124 O TYR A 75 8.500 -6.784 -8.383 1.00 72.13 O ATOM 1125 CB TYR A 75 11.047 -8.380 -10.105 1.00 54.04 C ATOM 1126 CG TYR A 75 10.646 -9.691 -9.468 1.00 21.20 C ATOM 1127 CD1 TYR A 75 10.146 -9.732 -8.172 1.00 51.12 C ATOM 1128 CD2 TYR A 75 10.769 -10.889 -10.161 1.00 35.34 C ATOM 1129 CE1 TYR A 75 9.779 -10.928 -7.585 1.00 43.42 C ATOM 1130 CE2 TYR A 75 10.403 -12.089 -9.582 1.00 70.33 C ATOM 1131 CZ TYR A 75 9.909 -12.103 -8.294 1.00 62.45 C ATOM 1132 OH TYR A 75 9.545 -13.297 -7.714 1.00 43.03 O ATOM 0 H TYR A 75 11.117 -6.500 -11.696 1.00 45.01 H new ATOM 0 HA TYR A 75 8.994 -7.928 -10.555 1.00 71.34 H new ATOM 0 HB2 TYR A 75 11.468 -8.578 -11.091 1.00 54.04 H new ATOM 0 HB3 TYR A 75 11.836 -7.922 -9.508 1.00 54.04 H new ATOM 0 HD1 TYR A 75 10.042 -8.813 -7.614 1.00 51.12 H new ATOM 0 HD2 TYR A 75 11.157 -10.882 -11.169 1.00 35.34 H new ATOM 0 HE1 TYR A 75 9.393 -10.942 -6.577 1.00 43.42 H new ATOM 0 HE2 TYR A 75 10.503 -13.011 -10.135 1.00 70.33 H new ATOM 0 HH TYR A 75 9.768 -13.279 -6.760 1.00 43.03 H new ATOM 1142 N VAL A 76 10.634 -6.071 -8.353 1.00 32.23 N ATOM 1143 CA VAL A 76 10.502 -5.386 -7.073 1.00 14.32 C ATOM 1144 C VAL A 76 9.307 -4.439 -7.077 1.00 51.44 C ATOM 1145 O VAL A 76 8.581 -4.335 -6.090 1.00 55.10 O ATOM 1146 CB VAL A 76 11.774 -4.588 -6.729 1.00 73.22 C ATOM 1147 CG1 VAL A 76 12.939 -5.529 -6.464 1.00 71.34 C ATOM 1148 CG2 VAL A 76 12.109 -3.613 -7.848 1.00 11.04 C ATOM 0 H VAL A 76 11.562 -6.007 -8.772 1.00 32.23 H new ATOM 0 HA VAL A 76 10.350 -6.156 -6.317 1.00 14.32 H new ATOM 0 HB VAL A 76 11.588 -4.014 -5.821 1.00 73.22 H new ATOM 0 HG11 VAL A 76 13.829 -4.947 -6.223 1.00 71.34 H new ATOM 0 HG12 VAL A 76 12.695 -6.183 -5.627 1.00 71.34 H new ATOM 0 HG13 VAL A 76 13.129 -6.132 -7.352 1.00 71.34 H new ATOM 0 HG21 VAL A 76 13.010 -3.057 -7.589 1.00 11.04 H new ATOM 0 HG22 VAL A 76 12.276 -4.165 -8.773 1.00 11.04 H new ATOM 0 HG23 VAL A 76 11.281 -2.918 -7.985 1.00 11.04 H new ATOM 1158 N ASN A 77 9.109 -3.749 -8.197 1.00 25.44 N ATOM 1159 CA ASN A 77 8.002 -2.810 -8.330 1.00 41.13 C ATOM 1160 C ASN A 77 6.662 -3.525 -8.189 1.00 31.01 C ATOM 1161 O ASN A 77 5.769 -3.058 -7.482 1.00 51.11 O ATOM 1162 CB ASN A 77 8.072 -2.096 -9.682 1.00 31.12 C ATOM 1163 CG ASN A 77 6.941 -1.104 -9.871 1.00 13.13 C ATOM 1164 OD1 ASN A 77 5.768 -1.478 -9.883 1.00 12.34 O ATOM 1165 ND2 ASN A 77 7.289 0.169 -10.020 1.00 21.20 N ATOM 0 H ASN A 77 9.701 -3.823 -9.024 1.00 25.44 H new ATOM 0 HA ASN A 77 8.086 -2.073 -7.532 1.00 41.13 H new ATOM 0 HB2 ASN A 77 9.026 -1.575 -9.766 1.00 31.12 H new ATOM 0 HB3 ASN A 77 8.041 -2.835 -10.482 1.00 31.12 H new ATOM 0 HD21 ASN A 77 6.571 0.882 -10.151 1.00 21.20 H new ATOM 0 HD22 ASN A 77 8.274 0.434 -10.003 1.00 21.20 H new ATOM 1172 N SER A 78 6.529 -4.661 -8.866 1.00 22.21 N ATOM 1173 CA SER A 78 5.297 -5.440 -8.819 1.00 2.24 C ATOM 1174 C SER A 78 5.123 -6.099 -7.454 1.00 10.34 C ATOM 1175 O SER A 78 4.001 -6.339 -7.006 1.00 62.52 O ATOM 1176 CB SER A 78 5.300 -6.506 -9.916 1.00 25.24 C ATOM 1177 OG SER A 78 4.147 -7.325 -9.834 1.00 21.41 O ATOM 0 H SER A 78 7.259 -5.063 -9.454 1.00 22.21 H new ATOM 0 HA SER A 78 4.461 -4.761 -8.985 1.00 2.24 H new ATOM 0 HB2 SER A 78 5.340 -6.026 -10.894 1.00 25.24 H new ATOM 0 HB3 SER A 78 6.195 -7.122 -9.826 1.00 25.24 H new ATOM 0 HG SER A 78 4.172 -7.997 -10.547 1.00 21.41 H new ATOM 1183 N HIS A 79 6.241 -6.388 -6.796 1.00 64.12 N ATOM 1184 CA HIS A 79 6.214 -7.019 -5.481 1.00 51.13 C ATOM 1185 C HIS A 79 6.399 -5.982 -4.377 1.00 62.24 C ATOM 1186 O HIS A 79 7.373 -6.030 -3.627 1.00 2.34 O ATOM 1187 CB HIS A 79 7.303 -8.087 -5.382 1.00 22.21 C ATOM 1188 CG HIS A 79 7.020 -9.310 -6.200 1.00 11.54 C ATOM 1189 ND1 HIS A 79 6.820 -9.273 -7.563 1.00 52.15 N ATOM 1190 CD2 HIS A 79 6.905 -10.609 -5.839 1.00 22.12 C ATOM 1191 CE1 HIS A 79 6.593 -10.497 -8.006 1.00 14.31 C ATOM 1192 NE2 HIS A 79 6.639 -11.326 -6.979 1.00 64.42 N ATOM 0 H HIS A 79 7.177 -6.195 -7.152 1.00 64.12 H new ATOM 0 HA HIS A 79 5.240 -7.491 -5.352 1.00 51.13 H new ATOM 0 HB2 HIS A 79 8.252 -7.657 -5.703 1.00 22.21 H new ATOM 0 HB3 HIS A 79 7.421 -8.378 -4.338 1.00 22.21 H new ATOM 0 HD2 HIS A 79 7.004 -11.007 -4.840 1.00 22.12 H new ATOM 0 HE1 HIS A 79 6.402 -10.772 -9.033 1.00 14.31 H new ATOM 0 HE2 HIS A 79 6.500 -12.335 -7.025 1.00 64.42 H new ATOM 1200 N GLN A 80 5.459 -5.047 -4.286 1.00 70.23 N ATOM 1201 CA GLN A 80 5.521 -3.999 -3.275 1.00 55.41 C ATOM 1202 C GLN A 80 4.842 -4.446 -1.985 1.00 24.55 C ATOM 1203 O GLN A 80 3.865 -5.195 -2.012 1.00 13.22 O ATOM 1204 CB GLN A 80 4.861 -2.720 -3.795 1.00 34.22 C ATOM 1205 CG GLN A 80 5.825 -1.782 -4.502 1.00 2.21 C ATOM 1206 CD GLN A 80 5.121 -0.622 -5.178 1.00 20.00 C ATOM 1207 OE1 GLN A 80 4.175 -0.052 -4.633 1.00 70.43 O ATOM 1208 NE2 GLN A 80 5.580 -0.265 -6.372 1.00 72.40 N ATOM 0 H GLN A 80 4.646 -4.994 -4.900 1.00 70.23 H new ATOM 0 HA GLN A 80 6.571 -3.798 -3.061 1.00 55.41 H new ATOM 0 HB2 GLN A 80 4.059 -2.989 -4.482 1.00 34.22 H new ATOM 0 HB3 GLN A 80 4.401 -2.193 -2.959 1.00 34.22 H new ATOM 0 HG2 GLN A 80 6.544 -1.395 -3.780 1.00 2.21 H new ATOM 0 HG3 GLN A 80 6.391 -2.342 -5.246 1.00 2.21 H new ATOM 0 HE21 GLN A 80 6.366 -0.765 -6.786 1.00 72.40 H new ATOM 0 HE22 GLN A 80 5.146 0.509 -6.875 1.00 72.40 H new TER 1217 GLN A 80