USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ -172:sc= 0.85 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 81:sc= 2 USER MOD Set 2.1: A 48 CYS SG : rot -72:sc= 1.21 USER MOD Set 2.2: A 54 SER OG : rot 159:sc= 1.69 USER MOD Set 2.3: A 71 ASN : amide:sc= 0.387 K(o=3.3,f=-3.7!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 164:sc= 1.76 (180deg=0.403) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0.78 USER MOD Set 4.1: A 19 GLN : amide:sc= 0.532 K(o=0.53,f=0) USER MOD Set 4.2: A 80 MET CE :methyl -171:sc= 0 (180deg=-0.0869) USER MOD Set 5.1: A 12 GLN : amide:sc= 2.11 K(o=2.8,f=-4.6!) USER MOD Set 5.2: A 49 ASN : amide:sc= 0.735 K(o=2.8,f=1.5) USER MOD Single : A 1 ALA N :NH3+ -166:sc= 1.02 (180deg=0.886) USER MOD Single : A 3 HIS : no HE2:sc= 0.987 K(o=0.99,f=-4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.17) USER MOD Single : A 15 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 23 ASN : amide:sc= 1.92 K(o=1.9,f=-0.037) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.657 USER MOD Single : A 41 ASN : amide:sc= -0.0415 X(o=-0.041,f=-0.041) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.07) USER MOD Single : A 47 TYR OH : rot 148:sc= 0.128 USER MOD Single : A 53 GLN : amide:sc= 0.768 K(o=0.77,f=-5.3!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 64 MET CE :methyl -166:sc= -0.0226 (180deg=-0.344) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 144:sc= 1.84 (180deg=0.189) USER MOD Single : A 84 LYS NZ :NH3+ 140:sc= 2.21 (180deg=-0.429!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.174 0.576 -1.668 1.00 0.00 N ATOM 2 CA ALA A 1 2.073 0.033 -2.491 1.00 0.00 C ATOM 3 C ALA A 1 1.198 1.190 -2.977 1.00 0.00 C ATOM 4 O ALA A 1 0.507 1.835 -2.185 1.00 0.00 O ATOM 5 CB ALA A 1 1.249 -1.025 -1.735 1.00 0.00 C ATOM 0 H1 ALA A 1 3.899 -0.157 -1.531 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.596 1.395 -2.150 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.802 0.872 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 1 2.500 -0.481 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.452 -1.395 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.897 -1.853 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.814 -0.577 -0.841 1.00 0.00 H new ATOM 13 N GLU A 2 1.262 1.494 -4.276 1.00 0.00 N ATOM 14 CA GLU A 2 0.655 2.663 -4.895 1.00 0.00 C ATOM 15 C GLU A 2 0.557 2.401 -6.399 1.00 0.00 C ATOM 16 O GLU A 2 1.314 1.582 -6.932 1.00 0.00 O ATOM 17 CB GLU A 2 1.498 3.920 -4.592 1.00 0.00 C ATOM 18 CG GLU A 2 2.932 3.971 -5.141 1.00 0.00 C ATOM 19 CD GLU A 2 3.876 2.878 -4.601 1.00 0.00 C ATOM 20 OE1 GLU A 2 3.991 2.716 -3.364 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.522 2.179 -5.414 1.00 0.00 O ATOM 0 H GLU A 2 1.758 0.907 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.343 2.841 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.960 4.785 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.550 4.036 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.892 3.891 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.359 4.946 -4.909 1.00 0.00 H new ATOM 28 N HIS A 3 -0.356 3.088 -7.085 1.00 0.00 N ATOM 29 CA HIS A 3 -0.422 3.057 -8.543 1.00 0.00 C ATOM 30 C HIS A 3 0.586 4.052 -9.125 1.00 0.00 C ATOM 31 O HIS A 3 0.972 5.016 -8.460 1.00 0.00 O ATOM 32 CB HIS A 3 -1.854 3.355 -9.007 1.00 0.00 C ATOM 33 CG HIS A 3 -2.761 2.154 -8.866 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.451 1.761 -7.741 1.00 0.00 N ATOM 35 CD2 HIS A 3 -3.015 1.216 -9.834 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.098 0.620 -8.022 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.860 0.239 -9.291 1.00 0.00 N ATOM 0 H HIS A 3 -1.065 3.677 -6.648 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.158 2.064 -8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.258 4.183 -8.425 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.837 3.675 -10.049 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -3.467 2.253 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.629 1.228 -10.843 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.724 0.081 -7.326 1.00 0.00 H new ATOM 45 N TRP A 4 0.980 3.844 -10.382 1.00 0.00 N ATOM 46 CA TRP A 4 1.949 4.668 -11.093 1.00 0.00 C ATOM 47 C TRP A 4 1.370 4.999 -12.464 1.00 0.00 C ATOM 48 O TRP A 4 0.756 4.133 -13.092 1.00 0.00 O ATOM 49 CB TRP A 4 3.273 3.911 -11.254 1.00 0.00 C ATOM 50 CG TRP A 4 4.120 3.763 -10.027 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.898 2.906 -9.006 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.350 4.473 -9.682 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.897 3.031 -8.065 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.845 3.955 -8.447 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.098 5.504 -10.290 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.037 4.414 -7.865 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.285 5.985 -9.706 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.761 5.436 -8.502 1.00 0.00 C ATOM 0 H TRP A 4 0.621 3.074 -10.947 1.00 0.00 H new ATOM 0 HA TRP A 4 2.146 5.582 -10.533 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.050 2.914 -11.635 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.864 4.419 -12.016 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.063 2.225 -8.938 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.931 2.504 -7.192 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.753 5.932 -11.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.393 3.987 -6.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.834 6.781 -10.186 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.681 5.799 -8.068 1.00 0.00 H new ATOM 69 N ILE A 5 1.587 6.223 -12.949 1.00 0.00 N ATOM 70 CA ILE A 5 1.125 6.668 -14.256 1.00 0.00 C ATOM 71 C ILE A 5 2.235 7.519 -14.885 1.00 0.00 C ATOM 72 O ILE A 5 2.837 8.371 -14.228 1.00 0.00 O ATOM 73 CB ILE A 5 -0.218 7.439 -14.140 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.397 6.604 -13.576 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.666 7.946 -15.516 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.576 6.734 -12.063 1.00 0.00 C ATOM 0 H ILE A 5 2.097 6.940 -12.433 1.00 0.00 H new ATOM 0 HA ILE A 5 0.923 5.813 -14.901 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.003 8.248 -13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.318 6.914 -14.070 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.239 5.555 -13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.609 8.484 -15.416 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.093 8.615 -15.922 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.801 7.100 -16.189 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.419 6.122 -11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.670 6.396 -11.559 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.766 7.776 -11.807 1.00 0.00 H new ATOM 88 N ASP A 6 2.483 7.282 -16.171 1.00 0.00 N ATOM 89 CA ASP A 6 3.307 8.110 -17.041 1.00 0.00 C ATOM 90 C ASP A 6 2.332 9.062 -17.730 1.00 0.00 C ATOM 91 O ASP A 6 1.386 8.595 -18.368 1.00 0.00 O ATOM 92 CB ASP A 6 4.000 7.218 -18.081 1.00 0.00 C ATOM 93 CG ASP A 6 4.697 8.025 -19.188 1.00 0.00 C ATOM 94 OD1 ASP A 6 3.999 8.649 -20.019 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.945 7.985 -19.250 1.00 0.00 O ATOM 0 H ASP A 6 2.097 6.471 -16.654 1.00 0.00 H new ATOM 0 HA ASP A 6 4.080 8.650 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.734 6.587 -17.580 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.263 6.553 -18.532 1.00 0.00 H new ATOM 100 N VAL A 7 2.520 10.375 -17.592 1.00 0.00 N ATOM 101 CA VAL A 7 1.537 11.363 -18.062 1.00 0.00 C ATOM 102 C VAL A 7 2.001 12.121 -19.314 1.00 0.00 C ATOM 103 O VAL A 7 1.482 13.200 -19.608 1.00 0.00 O ATOM 104 CB VAL A 7 1.035 12.273 -16.914 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.490 11.458 -15.731 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.098 13.253 -16.396 1.00 0.00 C ATOM 0 H VAL A 7 3.347 10.784 -17.157 1.00 0.00 H new ATOM 0 HA VAL A 7 0.660 10.807 -18.395 1.00 0.00 H new ATOM 0 HB VAL A 7 0.230 12.857 -17.359 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.149 12.136 -14.949 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.344 10.842 -16.067 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.278 10.817 -15.337 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.675 13.857 -15.593 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.954 12.695 -16.017 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.420 13.904 -17.209 1.00 0.00 H new ATOM 116 N ARG A 8 2.963 11.585 -20.072 1.00 0.00 N ATOM 117 CA ARG A 8 3.488 12.240 -21.274 1.00 0.00 C ATOM 118 C ARG A 8 3.022 11.460 -22.502 1.00 0.00 C ATOM 119 O ARG A 8 2.046 10.715 -22.436 1.00 0.00 O ATOM 120 CB ARG A 8 5.014 12.410 -21.153 1.00 0.00 C ATOM 121 CG ARG A 8 5.530 13.604 -21.984 1.00 0.00 C ATOM 122 CD ARG A 8 7.055 13.658 -21.962 1.00 0.00 C ATOM 123 NE ARG A 8 7.619 14.359 -23.132 1.00 0.00 N ATOM 124 CZ ARG A 8 7.889 15.667 -23.254 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.548 16.538 -22.309 1.00 0.00 N ATOM 126 NH2 ARG A 8 8.513 16.103 -24.343 1.00 0.00 N ATOM 0 H ARG A 8 3.399 10.685 -19.870 1.00 0.00 H new ATOM 0 HA ARG A 8 3.097 13.251 -21.387 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.281 12.555 -20.106 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.508 11.497 -21.485 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.179 13.516 -23.012 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.123 14.533 -21.586 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.383 14.159 -21.051 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.450 12.643 -21.927 1.00 0.00 H new ATOM 0 HE ARG A 8 7.828 13.779 -23.945 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.070 16.216 -21.467 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.765 17.528 -22.426 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.781 15.445 -25.075 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.724 17.096 -24.447 1.00 0.00 H new ATOM 140 N VAL A 9 3.663 11.676 -23.645 1.00 0.00 N ATOM 141 CA VAL A 9 3.347 10.980 -24.883 1.00 0.00 C ATOM 142 C VAL A 9 3.951 9.565 -24.848 1.00 0.00 C ATOM 143 O VAL A 9 4.970 9.353 -24.178 1.00 0.00 O ATOM 144 CB VAL A 9 3.856 11.796 -26.092 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.985 13.043 -26.299 1.00 0.00 C ATOM 146 CG2 VAL A 9 5.328 12.232 -25.971 1.00 0.00 C ATOM 0 H VAL A 9 4.425 12.347 -23.737 1.00 0.00 H new ATOM 0 HA VAL A 9 2.267 10.880 -24.988 1.00 0.00 H new ATOM 0 HB VAL A 9 3.786 11.126 -26.949 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.356 13.608 -27.154 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.954 12.740 -26.483 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.026 13.667 -25.407 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.613 12.800 -26.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.451 12.855 -25.085 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.963 11.350 -25.886 1.00 0.00 H new ATOM 156 N PRO A 10 3.399 8.611 -25.623 1.00 0.00 N ATOM 157 CA PRO A 10 4.008 7.303 -25.842 1.00 0.00 C ATOM 158 C PRO A 10 5.465 7.364 -26.312 1.00 0.00 C ATOM 159 O PRO A 10 6.200 6.402 -26.114 1.00 0.00 O ATOM 160 CB PRO A 10 3.141 6.606 -26.895 1.00 0.00 C ATOM 161 CG PRO A 10 1.776 7.264 -26.728 1.00 0.00 C ATOM 162 CD PRO A 10 2.125 8.695 -26.327 1.00 0.00 C ATOM 0 HA PRO A 10 4.044 6.764 -24.896 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.536 6.752 -27.900 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.091 5.530 -26.725 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.199 7.234 -27.652 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.180 6.766 -25.964 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.204 9.338 -27.203 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.352 9.121 -25.687 1.00 0.00 H new ATOM 170 N GLU A 11 5.894 8.472 -26.930 1.00 0.00 N ATOM 171 CA GLU A 11 7.228 8.603 -27.507 1.00 0.00 C ATOM 172 C GLU A 11 8.342 8.406 -26.472 1.00 0.00 C ATOM 173 O GLU A 11 9.431 7.986 -26.869 1.00 0.00 O ATOM 174 CB GLU A 11 7.390 9.949 -28.234 1.00 0.00 C ATOM 175 CG GLU A 11 6.376 10.132 -29.373 1.00 0.00 C ATOM 176 CD GLU A 11 6.666 11.402 -30.193 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.488 11.350 -31.136 1.00 0.00 O ATOM 178 OE2 GLU A 11 6.058 12.463 -29.922 1.00 0.00 O ATOM 0 H GLU A 11 5.317 9.306 -27.042 1.00 0.00 H new ATOM 0 HA GLU A 11 7.329 7.800 -28.238 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.275 10.761 -27.516 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.400 10.021 -28.637 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.403 9.261 -30.028 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.369 10.188 -28.959 1.00 0.00 H new ATOM 185 N GLN A 12 8.105 8.664 -25.172 1.00 0.00 N ATOM 186 CA GLN A 12 9.063 8.234 -24.152 1.00 0.00 C ATOM 187 C GLN A 12 8.752 6.792 -23.748 1.00 0.00 C ATOM 188 O GLN A 12 9.632 5.942 -23.837 1.00 0.00 O ATOM 189 CB GLN A 12 9.193 9.208 -22.963 1.00 0.00 C ATOM 190 CG GLN A 12 8.056 9.312 -21.925 1.00 0.00 C ATOM 191 CD GLN A 12 8.515 10.093 -20.687 1.00 0.00 C ATOM 192 OE1 GLN A 12 9.345 10.993 -20.784 1.00 0.00 O ATOM 193 NE2 GLN A 12 8.038 9.755 -19.498 1.00 0.00 N ATOM 0 H GLN A 12 7.283 9.153 -24.817 1.00 0.00 H new ATOM 0 HA GLN A 12 10.061 8.257 -24.589 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.102 8.942 -22.423 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.348 10.205 -23.376 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.194 9.806 -22.373 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.734 8.313 -21.631 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.349 9.007 -19.419 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.360 10.242 -18.662 1.00 0.00 H new ATOM 202 N TYR A 13 7.495 6.500 -23.399 1.00 0.00 N ATOM 203 CA TYR A 13 7.067 5.241 -22.799 1.00 0.00 C ATOM 204 C TYR A 13 7.500 4.013 -23.610 1.00 0.00 C ATOM 205 O TYR A 13 7.870 2.986 -23.037 1.00 0.00 O ATOM 206 CB TYR A 13 5.543 5.300 -22.633 1.00 0.00 C ATOM 207 CG TYR A 13 4.918 4.164 -21.847 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.457 3.013 -22.514 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.721 4.295 -20.458 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.795 1.998 -21.801 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.059 3.286 -19.738 1.00 0.00 C ATOM 212 CZ TYR A 13 3.588 2.134 -20.408 1.00 0.00 C ATOM 213 OH TYR A 13 2.911 1.179 -19.712 1.00 0.00 O ATOM 0 H TYR A 13 6.726 7.157 -23.532 1.00 0.00 H new ATOM 0 HA TYR A 13 7.553 5.123 -21.831 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.286 6.239 -22.143 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.090 5.323 -23.624 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.613 2.909 -23.578 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.080 5.175 -19.945 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.445 1.116 -22.316 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.910 3.391 -18.673 1.00 0.00 H new ATOM 0 HH TYR A 13 2.863 1.435 -18.767 1.00 0.00 H new ATOM 223 N GLN A 14 7.464 4.112 -24.941 1.00 0.00 N ATOM 224 CA GLN A 14 7.860 3.041 -25.842 1.00 0.00 C ATOM 225 C GLN A 14 9.363 2.751 -25.745 1.00 0.00 C ATOM 226 O GLN A 14 9.746 1.582 -25.668 1.00 0.00 O ATOM 227 CB GLN A 14 7.469 3.422 -27.281 1.00 0.00 C ATOM 228 CG GLN A 14 5.951 3.371 -27.533 1.00 0.00 C ATOM 229 CD GLN A 14 5.347 1.973 -27.358 1.00 0.00 C ATOM 230 OE1 GLN A 14 5.921 0.964 -27.761 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.178 1.873 -26.744 1.00 0.00 N ATOM 0 H GLN A 14 7.153 4.954 -25.425 1.00 0.00 H new ATOM 0 HA GLN A 14 7.339 2.128 -25.552 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.832 4.427 -27.495 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.969 2.748 -27.977 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.454 4.060 -26.850 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.747 3.722 -28.545 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.704 2.712 -26.410 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.752 0.957 -26.605 1.00 0.00 H new ATOM 240 N GLN A 15 10.218 3.783 -25.741 1.00 0.00 N ATOM 241 CA GLN A 15 11.665 3.583 -25.666 1.00 0.00 C ATOM 242 C GLN A 15 12.092 3.199 -24.246 1.00 0.00 C ATOM 243 O GLN A 15 13.062 2.457 -24.107 1.00 0.00 O ATOM 244 CB GLN A 15 12.456 4.770 -26.248 1.00 0.00 C ATOM 245 CG GLN A 15 12.155 6.137 -25.623 1.00 0.00 C ATOM 246 CD GLN A 15 12.957 7.262 -26.279 1.00 0.00 C ATOM 247 OE1 GLN A 15 14.183 7.301 -26.216 1.00 0.00 O ATOM 248 NE2 GLN A 15 12.285 8.203 -26.924 1.00 0.00 N ATOM 0 H GLN A 15 9.930 4.760 -25.789 1.00 0.00 H new ATOM 0 HA GLN A 15 11.919 2.738 -26.307 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.520 4.565 -26.134 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.255 4.828 -27.318 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.090 6.350 -25.716 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.382 6.105 -24.557 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.267 8.162 -26.971 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.785 8.969 -27.374 1.00 0.00 H new ATOM 257 N GLU A 16 11.386 3.657 -23.208 1.00 0.00 N ATOM 258 CA GLU A 16 11.486 3.175 -21.831 1.00 0.00 C ATOM 259 C GLU A 16 10.410 3.840 -20.974 1.00 0.00 C ATOM 260 O GLU A 16 10.001 4.969 -21.231 1.00 0.00 O ATOM 261 CB GLU A 16 12.875 3.377 -21.188 1.00 0.00 C ATOM 262 CG GLU A 16 13.464 4.792 -21.303 1.00 0.00 C ATOM 263 CD GLU A 16 14.918 4.855 -20.808 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.766 4.086 -21.322 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.207 5.686 -19.915 1.00 0.00 O ATOM 0 H GLU A 16 10.701 4.405 -23.311 1.00 0.00 H new ATOM 0 HA GLU A 16 11.333 2.097 -21.874 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.807 3.116 -20.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.572 2.675 -21.645 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.421 5.119 -22.342 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.854 5.486 -20.725 1.00 0.00 H new ATOM 272 N HIS A 17 9.999 3.166 -19.906 1.00 0.00 N ATOM 273 CA HIS A 17 9.151 3.712 -18.862 1.00 0.00 C ATOM 274 C HIS A 17 9.576 3.072 -17.549 1.00 0.00 C ATOM 275 O HIS A 17 10.000 1.915 -17.524 1.00 0.00 O ATOM 276 CB HIS A 17 7.672 3.447 -19.175 1.00 0.00 C ATOM 277 CG HIS A 17 7.320 2.009 -19.478 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.309 1.423 -20.723 1.00 0.00 N ATOM 279 CD2 HIS A 17 6.898 1.062 -18.584 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.895 0.154 -20.583 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.629 -0.118 -19.291 1.00 0.00 N ATOM 0 H HIS A 17 10.257 2.193 -19.741 1.00 0.00 H new ATOM 0 HA HIS A 17 9.263 4.794 -18.795 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.074 3.778 -18.326 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.383 4.061 -20.028 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.570 1.874 -21.600 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.791 1.200 -17.518 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.790 -0.551 -21.394 1.00 0.00 H new ATOM 289 N VAL A 18 9.482 3.823 -16.456 1.00 0.00 N ATOM 290 CA VAL A 18 9.647 3.292 -15.114 1.00 0.00 C ATOM 291 C VAL A 18 8.568 2.221 -14.913 1.00 0.00 C ATOM 292 O VAL A 18 7.403 2.424 -15.277 1.00 0.00 O ATOM 293 CB VAL A 18 9.633 4.473 -14.115 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.977 4.151 -12.766 1.00 0.00 C ATOM 295 CG2 VAL A 18 11.083 4.903 -13.853 1.00 0.00 C ATOM 0 H VAL A 18 9.288 4.824 -16.481 1.00 0.00 H new ATOM 0 HA VAL A 18 10.602 2.794 -14.944 1.00 0.00 H new ATOM 0 HB VAL A 18 9.035 5.260 -14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.010 5.033 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.940 3.857 -12.927 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.515 3.334 -12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.094 5.736 -13.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.640 4.066 -13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.546 5.213 -14.790 1.00 0.00 H new ATOM 305 N GLN A 19 8.985 1.063 -14.393 1.00 0.00 N ATOM 306 CA GLN A 19 8.138 -0.117 -14.270 1.00 0.00 C ATOM 307 C GLN A 19 6.868 0.184 -13.470 1.00 0.00 C ATOM 308 O GLN A 19 6.882 1.005 -12.549 1.00 0.00 O ATOM 309 CB GLN A 19 8.945 -1.289 -13.680 1.00 0.00 C ATOM 310 CG GLN A 19 9.559 -1.081 -12.285 1.00 0.00 C ATOM 311 CD GLN A 19 8.706 -1.635 -11.139 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.898 -2.764 -10.695 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.759 -0.868 -10.623 1.00 0.00 N ATOM 0 H GLN A 19 9.932 0.922 -14.043 1.00 0.00 H new ATOM 0 HA GLN A 19 7.805 -0.414 -15.264 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.293 -2.161 -13.637 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.752 -1.528 -14.373 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.540 -1.556 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.717 -0.015 -12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.603 0.069 -10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.185 -1.214 -9.854 1.00 0.00 H new ATOM 322 N GLY A 20 5.782 -0.521 -13.791 1.00 0.00 N ATOM 323 CA GLY A 20 4.518 -0.449 -13.067 1.00 0.00 C ATOM 324 C GLY A 20 3.616 0.699 -13.528 1.00 0.00 C ATOM 325 O GLY A 20 2.428 0.692 -13.200 1.00 0.00 O ATOM 0 H GLY A 20 5.759 -1.170 -14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.984 -1.392 -13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.724 -0.334 -12.003 1.00 0.00 H new ATOM 329 N ALA A 21 4.143 1.674 -14.281 1.00 0.00 N ATOM 330 CA ALA A 21 3.345 2.764 -14.830 1.00 0.00 C ATOM 331 C ALA A 21 2.382 2.273 -15.917 1.00 0.00 C ATOM 332 O ALA A 21 2.480 1.145 -16.408 1.00 0.00 O ATOM 333 CB ALA A 21 4.261 3.866 -15.372 1.00 0.00 C ATOM 0 H ALA A 21 5.133 1.724 -14.523 1.00 0.00 H new ATOM 0 HA ALA A 21 2.737 3.174 -14.023 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.655 4.675 -15.780 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.884 4.251 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.896 3.457 -16.158 1.00 0.00 H new ATOM 339 N ILE A 22 1.499 3.178 -16.335 1.00 0.00 N ATOM 340 CA ILE A 22 0.613 3.057 -17.483 1.00 0.00 C ATOM 341 C ILE A 22 0.729 4.419 -18.170 1.00 0.00 C ATOM 342 O ILE A 22 0.700 5.438 -17.476 1.00 0.00 O ATOM 343 CB ILE A 22 -0.844 2.766 -17.030 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.938 1.580 -16.037 1.00 0.00 C ATOM 345 CG2 ILE A 22 -1.731 2.516 -18.265 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.355 1.301 -15.518 1.00 0.00 C ATOM 0 H ILE A 22 1.379 4.067 -15.850 1.00 0.00 H new ATOM 0 HA ILE A 22 0.879 2.233 -18.145 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.202 3.644 -16.493 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.559 0.682 -16.525 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.285 1.780 -15.187 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.753 2.312 -17.944 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.721 3.398 -18.905 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.348 1.660 -18.821 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.331 0.456 -14.830 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.732 2.182 -14.998 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.010 1.066 -16.357 1.00 0.00 H new ATOM 358 N ASN A 23 0.890 4.468 -19.495 1.00 0.00 N ATOM 359 CA ASN A 23 0.872 5.740 -20.213 1.00 0.00 C ATOM 360 C ASN A 23 -0.564 6.251 -20.284 1.00 0.00 C ATOM 361 O ASN A 23 -1.414 5.616 -20.912 1.00 0.00 O ATOM 362 CB ASN A 23 1.467 5.625 -21.619 1.00 0.00 C ATOM 363 CG ASN A 23 1.321 6.957 -22.348 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.547 7.074 -23.291 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.016 7.993 -21.915 1.00 0.00 N ATOM 0 H ASN A 23 1.033 3.649 -20.086 1.00 0.00 H new ATOM 0 HA ASN A 23 1.496 6.446 -19.666 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.519 5.346 -21.558 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.960 4.837 -22.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.911 8.902 -22.366 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.657 7.884 -21.129 1.00 0.00 H new ATOM 372 N ILE A 24 -0.827 7.390 -19.647 1.00 0.00 N ATOM 373 CA ILE A 24 -2.122 8.059 -19.609 1.00 0.00 C ATOM 374 C ILE A 24 -1.814 9.565 -19.702 1.00 0.00 C ATOM 375 O ILE A 24 -1.606 10.203 -18.668 1.00 0.00 O ATOM 376 CB ILE A 24 -2.924 7.679 -18.339 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.033 6.148 -18.128 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.320 8.308 -18.411 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.845 5.727 -16.898 1.00 0.00 C ATOM 0 H ILE A 24 -0.112 7.892 -19.121 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.764 7.751 -20.434 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.379 8.070 -17.480 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.486 5.704 -19.015 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.028 5.734 -18.042 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.886 8.042 -17.518 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.228 9.392 -18.472 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.841 7.938 -19.294 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.867 4.639 -16.831 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.383 6.136 -16.000 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.863 6.106 -16.987 1.00 0.00 H new ATOM 391 N PRO A 25 -1.701 10.125 -20.922 1.00 0.00 N ATOM 392 CA PRO A 25 -1.273 11.501 -21.152 1.00 0.00 C ATOM 393 C PRO A 25 -2.026 12.537 -20.312 1.00 0.00 C ATOM 394 O PRO A 25 -3.220 12.388 -20.038 1.00 0.00 O ATOM 395 CB PRO A 25 -1.476 11.752 -22.649 1.00 0.00 C ATOM 396 CG PRO A 25 -1.308 10.363 -23.258 1.00 0.00 C ATOM 397 CD PRO A 25 -1.917 9.454 -22.196 1.00 0.00 C ATOM 0 HA PRO A 25 -0.234 11.617 -20.844 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.462 12.167 -22.858 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.743 12.456 -23.043 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.827 10.274 -24.213 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.260 10.126 -23.441 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.980 9.297 -22.379 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.444 8.472 -22.205 1.00 0.00 H new ATOM 405 N LEU A 26 -1.343 13.638 -19.985 1.00 0.00 N ATOM 406 CA LEU A 26 -1.850 14.758 -19.189 1.00 0.00 C ATOM 407 C LEU A 26 -3.223 15.257 -19.659 1.00 0.00 C ATOM 408 O LEU A 26 -4.058 15.622 -18.834 1.00 0.00 O ATOM 409 CB LEU A 26 -0.807 15.894 -19.243 1.00 0.00 C ATOM 410 CG LEU A 26 -1.184 17.162 -18.449 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.230 16.885 -16.945 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.166 18.272 -18.720 1.00 0.00 C ATOM 0 H LEU A 26 -0.377 13.778 -20.282 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.997 14.415 -18.165 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.142 15.514 -18.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.646 16.170 -20.285 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.175 17.475 -18.777 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.498 17.799 -16.415 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.973 16.115 -16.739 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.251 16.544 -16.608 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.440 19.163 -18.155 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.826 17.939 -18.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.157 18.506 -19.785 1.00 0.00 H new ATOM 424 N LYS A 27 -3.476 15.253 -20.973 1.00 0.00 N ATOM 425 CA LYS A 27 -4.741 15.718 -21.549 1.00 0.00 C ATOM 426 C LYS A 27 -5.942 14.868 -21.120 1.00 0.00 C ATOM 427 O LYS A 27 -7.072 15.344 -21.218 1.00 0.00 O ATOM 428 CB LYS A 27 -4.645 15.751 -23.084 1.00 0.00 C ATOM 429 CG LYS A 27 -3.611 16.772 -23.587 1.00 0.00 C ATOM 430 CD LYS A 27 -3.615 16.845 -25.122 1.00 0.00 C ATOM 431 CE LYS A 27 -2.683 17.937 -25.670 1.00 0.00 C ATOM 432 NZ LYS A 27 -1.242 17.642 -25.457 1.00 0.00 N ATOM 0 H LYS A 27 -2.806 14.926 -21.669 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.909 16.724 -21.165 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.379 14.759 -23.450 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.623 15.993 -23.501 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.833 17.755 -23.172 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.618 16.494 -23.235 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.313 15.879 -25.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.631 17.033 -25.469 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.867 18.060 -26.737 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.927 18.886 -25.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.668 18.416 -25.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.053 17.552 -24.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.996 16.752 -25.935 1.00 0.00 H new ATOM 446 N GLU A 28 -5.726 13.630 -20.664 1.00 0.00 N ATOM 447 CA GLU A 28 -6.787 12.649 -20.429 1.00 0.00 C ATOM 448 C GLU A 28 -6.692 12.029 -19.029 1.00 0.00 C ATOM 449 O GLU A 28 -7.650 11.397 -18.577 1.00 0.00 O ATOM 450 CB GLU A 28 -6.738 11.571 -21.526 1.00 0.00 C ATOM 451 CG GLU A 28 -6.887 12.146 -22.947 1.00 0.00 C ATOM 452 CD GLU A 28 -6.954 11.043 -24.016 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.868 10.190 -23.950 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.103 11.026 -24.934 1.00 0.00 O ATOM 0 H GLU A 28 -4.794 13.277 -20.445 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.749 13.160 -20.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.793 11.033 -21.456 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.532 10.845 -21.349 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.790 12.754 -22.998 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.046 12.806 -23.160 1.00 0.00 H new ATOM 461 N VAL A 29 -5.585 12.251 -18.306 1.00 0.00 N ATOM 462 CA VAL A 29 -5.393 11.798 -16.927 1.00 0.00 C ATOM 463 C VAL A 29 -6.583 12.189 -16.034 1.00 0.00 C ATOM 464 O VAL A 29 -6.976 11.410 -15.167 1.00 0.00 O ATOM 465 CB VAL A 29 -4.020 12.295 -16.392 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.027 13.737 -15.857 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.491 11.356 -15.300 1.00 0.00 C ATOM 0 H VAL A 29 -4.783 12.762 -18.675 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.366 10.709 -16.906 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.361 12.288 -17.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.029 13.999 -15.505 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.322 14.419 -16.654 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.735 13.816 -15.032 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.530 11.722 -14.940 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.200 11.324 -14.473 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.367 10.354 -15.711 1.00 0.00 H new ATOM 477 N LYS A 30 -7.197 13.356 -16.289 1.00 0.00 N ATOM 478 CA LYS A 30 -8.311 13.905 -15.516 1.00 0.00 C ATOM 479 C LYS A 30 -9.474 12.923 -15.383 1.00 0.00 C ATOM 480 O LYS A 30 -10.131 12.918 -14.346 1.00 0.00 O ATOM 481 CB LYS A 30 -8.773 15.223 -16.164 1.00 0.00 C ATOM 482 CG LYS A 30 -9.783 15.982 -15.284 1.00 0.00 C ATOM 483 CD LYS A 30 -10.064 17.405 -15.786 1.00 0.00 C ATOM 484 CE LYS A 30 -10.750 17.412 -17.161 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.076 18.786 -17.619 1.00 0.00 N ATOM 0 H LYS A 30 -6.919 13.958 -17.064 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.959 14.095 -14.502 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.907 15.858 -16.349 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.226 15.010 -17.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.718 15.423 -15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.403 16.031 -14.264 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.695 17.925 -15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.127 17.958 -15.847 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.099 16.932 -17.892 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.664 16.821 -17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.537 18.741 -18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.718 19.236 -16.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.202 19.344 -17.692 1.00 0.00 H new ATOM 499 N GLU A 31 -9.727 12.094 -16.399 1.00 0.00 N ATOM 500 CA GLU A 31 -10.849 11.158 -16.392 1.00 0.00 C ATOM 501 C GLU A 31 -10.361 9.710 -16.354 1.00 0.00 C ATOM 502 O GLU A 31 -10.939 8.884 -15.645 1.00 0.00 O ATOM 503 CB GLU A 31 -11.822 11.466 -17.540 1.00 0.00 C ATOM 504 CG GLU A 31 -11.216 11.240 -18.925 1.00 0.00 C ATOM 505 CD GLU A 31 -12.198 11.618 -20.047 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.996 10.755 -20.481 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.178 12.778 -20.518 1.00 0.00 O ATOM 0 H GLU A 31 -9.160 12.054 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.422 11.292 -15.474 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.709 10.841 -17.433 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.151 12.502 -17.460 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.306 11.831 -19.024 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.929 10.194 -19.030 1.00 0.00 H new ATOM 514 N ARG A 32 -9.255 9.395 -17.038 1.00 0.00 N ATOM 515 CA ARG A 32 -8.725 8.032 -17.095 1.00 0.00 C ATOM 516 C ARG A 32 -8.157 7.573 -15.751 1.00 0.00 C ATOM 517 O ARG A 32 -7.993 6.368 -15.546 1.00 0.00 O ATOM 518 CB ARG A 32 -7.684 7.937 -18.216 1.00 0.00 C ATOM 519 CG ARG A 32 -8.315 8.068 -19.611 1.00 0.00 C ATOM 520 CD ARG A 32 -7.238 7.961 -20.696 1.00 0.00 C ATOM 521 NE ARG A 32 -7.798 8.122 -22.046 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.349 7.187 -22.825 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.500 5.931 -22.412 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.740 7.559 -24.035 1.00 0.00 N ATOM 0 H ARG A 32 -8.706 10.075 -17.564 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.547 7.352 -17.317 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.937 8.720 -18.083 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.162 6.983 -18.144 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.063 7.288 -19.754 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.832 9.024 -19.695 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.476 8.722 -20.527 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.744 6.992 -20.622 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.761 9.064 -22.436 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.191 5.661 -21.478 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.924 5.239 -23.029 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.615 8.525 -24.337 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.166 6.879 -24.665 1.00 0.00 H new ATOM 538 N ILE A 33 -7.904 8.491 -14.813 1.00 0.00 N ATOM 539 CA ILE A 33 -7.579 8.143 -13.435 1.00 0.00 C ATOM 540 C ILE A 33 -8.634 7.198 -12.841 1.00 0.00 C ATOM 541 O ILE A 33 -8.264 6.302 -12.090 1.00 0.00 O ATOM 542 CB ILE A 33 -7.390 9.421 -12.587 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.877 9.104 -11.167 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.679 10.271 -12.515 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.485 8.462 -11.139 1.00 0.00 C ATOM 0 H ILE A 33 -7.920 9.495 -14.992 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.633 7.602 -13.423 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.628 10.010 -13.098 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.853 10.026 -10.586 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.585 8.436 -10.676 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.496 11.158 -11.908 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.972 10.573 -13.520 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.478 9.682 -12.065 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.194 8.269 -10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.506 7.523 -11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.764 9.137 -11.599 1.00 0.00 H new ATOM 557 N ALA A 34 -9.921 7.344 -13.192 1.00 0.00 N ATOM 558 CA ALA A 34 -10.985 6.543 -12.596 1.00 0.00 C ATOM 559 C ALA A 34 -10.802 5.056 -12.913 1.00 0.00 C ATOM 560 O ALA A 34 -10.993 4.210 -12.041 1.00 0.00 O ATOM 561 CB ALA A 34 -12.347 7.041 -13.091 1.00 0.00 C ATOM 0 H ALA A 34 -10.244 8.014 -13.889 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.939 6.655 -11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.139 6.440 -12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.478 8.085 -12.806 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.394 6.953 -14.176 1.00 0.00 H new ATOM 567 N THR A 35 -10.415 4.732 -14.148 1.00 0.00 N ATOM 568 CA THR A 35 -10.128 3.367 -14.566 1.00 0.00 C ATOM 569 C THR A 35 -8.767 2.898 -14.031 1.00 0.00 C ATOM 570 O THR A 35 -8.631 1.731 -13.658 1.00 0.00 O ATOM 571 CB THR A 35 -10.217 3.286 -16.106 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.845 4.503 -16.740 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.658 3.002 -16.541 1.00 0.00 C ATOM 0 H THR A 35 -10.292 5.420 -14.891 1.00 0.00 H new ATOM 0 HA THR A 35 -10.868 2.688 -14.142 1.00 0.00 H new ATOM 0 HB THR A 35 -9.533 2.490 -16.400 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.098 4.910 -16.253 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.706 2.948 -17.629 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.986 2.054 -16.115 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.309 3.802 -16.189 1.00 0.00 H new ATOM 581 N ALA A 36 -7.769 3.789 -13.958 1.00 0.00 N ATOM 582 CA ALA A 36 -6.435 3.440 -13.475 1.00 0.00 C ATOM 583 C ALA A 36 -6.427 3.152 -11.968 1.00 0.00 C ATOM 584 O ALA A 36 -5.680 2.285 -11.516 1.00 0.00 O ATOM 585 CB ALA A 36 -5.465 4.579 -13.799 1.00 0.00 C ATOM 0 H ALA A 36 -7.867 4.767 -14.232 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.120 2.527 -13.980 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.469 4.322 -13.440 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.433 4.734 -14.877 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.802 5.494 -13.311 1.00 0.00 H new ATOM 591 N VAL A 37 -7.239 3.878 -11.196 1.00 0.00 N ATOM 592 CA VAL A 37 -7.236 3.907 -9.739 1.00 0.00 C ATOM 593 C VAL A 37 -8.707 3.962 -9.285 1.00 0.00 C ATOM 594 O VAL A 37 -9.238 5.044 -9.024 1.00 0.00 O ATOM 595 CB VAL A 37 -6.377 5.078 -9.217 1.00 0.00 C ATOM 596 CG1 VAL A 37 -6.237 5.018 -7.688 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.961 5.102 -9.818 1.00 0.00 C ATOM 0 H VAL A 37 -7.951 4.491 -11.594 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.775 3.014 -9.316 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.903 5.982 -9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.627 5.854 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.224 5.077 -7.230 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.760 4.080 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.407 5.948 -9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.444 4.176 -9.567 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.027 5.199 -10.902 1.00 0.00 H new ATOM 607 N PRO A 38 -9.404 2.812 -9.220 1.00 0.00 N ATOM 608 CA PRO A 38 -10.838 2.755 -8.938 1.00 0.00 C ATOM 609 C PRO A 38 -11.207 3.045 -7.468 1.00 0.00 C ATOM 610 O PRO A 38 -12.386 2.978 -7.116 1.00 0.00 O ATOM 611 CB PRO A 38 -11.280 1.363 -9.404 1.00 0.00 C ATOM 612 CG PRO A 38 -10.028 0.510 -9.222 1.00 0.00 C ATOM 613 CD PRO A 38 -8.898 1.485 -9.544 1.00 0.00 C ATOM 0 HA PRO A 38 -11.365 3.548 -9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.112 0.986 -8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.610 1.374 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.949 0.121 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.024 -0.349 -9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.007 1.255 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.616 1.421 -10.595 1.00 0.00 H new ATOM 621 N ASP A 39 -10.241 3.390 -6.608 1.00 0.00 N ATOM 622 CA ASP A 39 -10.468 3.851 -5.239 1.00 0.00 C ATOM 623 C ASP A 39 -9.594 5.079 -5.008 1.00 0.00 C ATOM 624 O ASP A 39 -8.377 4.966 -4.854 1.00 0.00 O ATOM 625 CB ASP A 39 -10.151 2.754 -4.213 1.00 0.00 C ATOM 626 CG ASP A 39 -10.174 3.283 -2.763 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.751 4.363 -2.498 1.00 0.00 O ATOM 628 OD2 ASP A 39 -9.626 2.593 -1.874 1.00 0.00 O ATOM 0 H ASP A 39 -9.252 3.354 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.520 4.104 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.875 1.945 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.169 2.332 -4.428 1.00 0.00 H new ATOM 633 N LYS A 40 -10.212 6.264 -5.022 1.00 0.00 N ATOM 634 CA LYS A 40 -9.506 7.544 -4.975 1.00 0.00 C ATOM 635 C LYS A 40 -8.695 7.763 -3.692 1.00 0.00 C ATOM 636 O LYS A 40 -7.851 8.660 -3.662 1.00 0.00 O ATOM 637 CB LYS A 40 -10.487 8.684 -5.306 1.00 0.00 C ATOM 638 CG LYS A 40 -11.395 9.114 -4.143 1.00 0.00 C ATOM 639 CD LYS A 40 -10.824 10.363 -3.462 1.00 0.00 C ATOM 640 CE LYS A 40 -11.577 10.692 -2.177 1.00 0.00 C ATOM 641 NZ LYS A 40 -10.946 11.831 -1.468 1.00 0.00 N ATOM 0 H LYS A 40 -11.226 6.360 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.734 7.534 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.916 9.550 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.114 8.373 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.400 9.319 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.481 8.303 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.769 10.206 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.881 11.210 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.614 10.934 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.593 9.818 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.608 12.210 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.080 11.507 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.707 12.577 -2.153 1.00 0.00 H new ATOM 655 N ASN A 41 -8.944 6.977 -2.638 1.00 0.00 N ATOM 656 CA ASN A 41 -8.165 7.035 -1.404 1.00 0.00 C ATOM 657 C ASN A 41 -6.745 6.492 -1.599 1.00 0.00 C ATOM 658 O ASN A 41 -5.854 6.860 -0.832 1.00 0.00 O ATOM 659 CB ASN A 41 -8.880 6.236 -0.303 1.00 0.00 C ATOM 660 CG ASN A 41 -8.108 6.240 1.015 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.414 5.283 1.346 1.00 0.00 O ATOM 662 ND2 ASN A 41 -8.222 7.297 1.803 1.00 0.00 N ATOM 0 H ASN A 41 -9.692 6.284 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.082 8.082 -1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.873 6.655 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.019 5.208 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.730 7.323 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.802 8.086 1.517 1.00 0.00 H new ATOM 669 N ASP A 42 -6.525 5.611 -2.581 1.00 0.00 N ATOM 670 CA ASP A 42 -5.241 4.938 -2.774 1.00 0.00 C ATOM 671 C ASP A 42 -4.123 5.932 -3.115 1.00 0.00 C ATOM 672 O ASP A 42 -4.377 7.016 -3.648 1.00 0.00 O ATOM 673 CB ASP A 42 -5.359 3.863 -3.864 1.00 0.00 C ATOM 674 CG ASP A 42 -4.074 3.028 -4.004 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.409 2.755 -2.978 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.753 2.618 -5.140 1.00 0.00 O ATOM 0 H ASP A 42 -7.235 5.346 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.975 4.458 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.195 3.203 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.585 4.339 -4.818 1.00 0.00 H new ATOM 681 N THR A 43 -2.879 5.562 -2.810 1.00 0.00 N ATOM 682 CA THR A 43 -1.707 6.351 -3.160 1.00 0.00 C ATOM 683 C THR A 43 -1.462 6.228 -4.667 1.00 0.00 C ATOM 684 O THR A 43 -1.625 5.150 -5.249 1.00 0.00 O ATOM 685 CB THR A 43 -0.502 5.895 -2.317 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.837 5.903 -0.937 1.00 0.00 O ATOM 687 CG2 THR A 43 0.720 6.806 -2.485 1.00 0.00 C ATOM 0 H THR A 43 -2.659 4.700 -2.310 1.00 0.00 H new ATOM 0 HA THR A 43 -1.865 7.406 -2.935 1.00 0.00 H new ATOM 0 HB THR A 43 -0.254 4.894 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.064 5.610 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.538 6.435 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.029 6.812 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.463 7.820 -2.177 1.00 0.00 H new ATOM 695 N VAL A 44 -1.034 7.320 -5.299 1.00 0.00 N ATOM 696 CA VAL A 44 -0.762 7.379 -6.727 1.00 0.00 C ATOM 697 C VAL A 44 0.526 8.177 -6.902 1.00 0.00 C ATOM 698 O VAL A 44 0.728 9.188 -6.228 1.00 0.00 O ATOM 699 CB VAL A 44 -1.950 8.039 -7.469 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.795 7.932 -8.991 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.316 7.439 -7.103 1.00 0.00 C ATOM 0 H VAL A 44 -0.864 8.204 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.642 6.382 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.925 9.080 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.647 8.406 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.877 8.432 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.751 6.882 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.100 7.951 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.326 6.378 -7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.493 7.561 -6.034 1.00 0.00 H new ATOM 711 N LYS A 45 1.381 7.754 -7.827 1.00 0.00 N ATOM 712 CA LYS A 45 2.585 8.472 -8.213 1.00 0.00 C ATOM 713 C LYS A 45 2.475 8.775 -9.698 1.00 0.00 C ATOM 714 O LYS A 45 2.026 7.929 -10.474 1.00 0.00 O ATOM 715 CB LYS A 45 3.827 7.629 -7.887 1.00 0.00 C ATOM 716 CG LYS A 45 4.166 7.661 -6.385 1.00 0.00 C ATOM 717 CD LYS A 45 5.341 6.719 -6.095 1.00 0.00 C ATOM 718 CE LYS A 45 5.716 6.621 -4.608 1.00 0.00 C ATOM 719 NZ LYS A 45 6.567 7.742 -4.137 1.00 0.00 N ATOM 0 H LYS A 45 1.251 6.882 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 45 2.687 9.406 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.658 6.598 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.678 8.000 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.420 8.677 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.296 7.362 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.093 5.723 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.212 7.058 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.804 6.593 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.239 5.681 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.963 7.509 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.342 7.897 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.993 8.606 -4.064 1.00 0.00 H new ATOM 733 N VAL A 46 2.895 9.968 -10.099 1.00 0.00 N ATOM 734 CA VAL A 46 2.872 10.399 -11.492 1.00 0.00 C ATOM 735 C VAL A 46 4.268 10.891 -11.873 1.00 0.00 C ATOM 736 O VAL A 46 4.946 11.493 -11.038 1.00 0.00 O ATOM 737 CB VAL A 46 1.759 11.453 -11.720 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.363 10.850 -11.498 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.865 12.699 -10.826 1.00 0.00 C ATOM 0 H VAL A 46 3.265 10.671 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 46 2.623 9.567 -12.150 1.00 0.00 H new ATOM 0 HB VAL A 46 1.903 11.763 -12.755 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.395 11.615 -11.666 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.207 10.026 -12.195 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.285 10.480 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.046 13.381 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.808 12.401 -9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.816 13.199 -11.010 1.00 0.00 H new ATOM 749 N TYR A 47 4.695 10.655 -13.117 1.00 0.00 N ATOM 750 CA TYR A 47 5.911 11.220 -13.694 1.00 0.00 C ATOM 751 C TYR A 47 5.666 11.532 -15.173 1.00 0.00 C ATOM 752 O TYR A 47 4.742 10.994 -15.789 1.00 0.00 O ATOM 753 CB TYR A 47 7.126 10.296 -13.482 1.00 0.00 C ATOM 754 CG TYR A 47 7.049 8.967 -14.209 1.00 0.00 C ATOM 755 CD1 TYR A 47 7.453 8.881 -15.553 1.00 0.00 C ATOM 756 CD2 TYR A 47 6.593 7.816 -13.541 1.00 0.00 C ATOM 757 CE1 TYR A 47 7.394 7.659 -16.238 1.00 0.00 C ATOM 758 CE2 TYR A 47 6.554 6.581 -14.212 1.00 0.00 C ATOM 759 CZ TYR A 47 6.948 6.502 -15.569 1.00 0.00 C ATOM 760 OH TYR A 47 6.962 5.318 -16.238 1.00 0.00 O ATOM 0 H TYR A 47 4.189 10.050 -13.764 1.00 0.00 H new ATOM 0 HA TYR A 47 6.154 12.150 -13.180 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.025 10.820 -13.807 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.237 10.104 -12.415 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.812 9.763 -16.062 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.273 7.881 -12.512 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.690 7.605 -17.275 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.224 5.694 -13.692 1.00 0.00 H new ATOM 0 HH TYR A 47 7.135 4.588 -15.608 1.00 0.00 H new ATOM 770 N CYS A 48 6.503 12.399 -15.743 1.00 0.00 N ATOM 771 CA CYS A 48 6.494 12.768 -17.157 1.00 0.00 C ATOM 772 C CYS A 48 7.925 12.630 -17.675 1.00 0.00 C ATOM 773 O CYS A 48 8.589 11.668 -17.295 1.00 0.00 O ATOM 774 CB CYS A 48 5.870 14.159 -17.325 1.00 0.00 C ATOM 775 SG CYS A 48 6.846 15.434 -16.474 1.00 0.00 S ATOM 0 H CYS A 48 7.231 12.880 -15.214 1.00 0.00 H new ATOM 0 HA CYS A 48 5.870 12.111 -17.762 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.799 14.401 -18.385 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.854 14.153 -16.930 1.00 0.00 H new ATOM 0 HG CYS A 48 6.695 15.310 -15.189 1.00 0.00 H new ATOM 781 N ASN A 49 8.440 13.536 -18.513 1.00 0.00 N ATOM 782 CA ASN A 49 9.855 13.461 -18.887 1.00 0.00 C ATOM 783 C ASN A 49 10.760 14.059 -17.813 1.00 0.00 C ATOM 784 O ASN A 49 11.737 13.413 -17.438 1.00 0.00 O ATOM 785 CB ASN A 49 10.130 14.103 -20.251 1.00 0.00 C ATOM 786 CG ASN A 49 11.557 13.786 -20.681 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.441 14.636 -20.644 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.794 12.549 -21.086 1.00 0.00 N ATOM 0 H ASN A 49 7.918 14.305 -18.933 1.00 0.00 H new ATOM 0 HA ASN A 49 10.093 12.401 -18.972 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.423 13.727 -20.991 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.987 15.182 -20.193 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.733 12.279 -21.379 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.038 11.865 -21.105 1.00 0.00 H new ATOM 795 N ALA A 50 10.413 15.235 -17.268 1.00 0.00 N ATOM 796 CA ALA A 50 11.314 16.012 -16.408 1.00 0.00 C ATOM 797 C ALA A 50 10.717 16.404 -15.048 1.00 0.00 C ATOM 798 O ALA A 50 11.478 16.571 -14.095 1.00 0.00 O ATOM 799 CB ALA A 50 11.763 17.263 -17.172 1.00 0.00 C ATOM 0 H ALA A 50 9.502 15.672 -17.411 1.00 0.00 H new ATOM 0 HA ALA A 50 12.160 15.366 -16.171 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.434 17.851 -16.545 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.284 16.966 -18.082 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.891 17.863 -17.433 1.00 0.00 H new ATOM 805 N GLY A 51 9.390 16.524 -14.931 1.00 0.00 N ATOM 806 CA GLY A 51 8.699 16.696 -13.650 1.00 0.00 C ATOM 807 C GLY A 51 7.537 17.685 -13.701 1.00 0.00 C ATOM 808 O GLY A 51 6.583 17.539 -12.938 1.00 0.00 O ATOM 0 H GLY A 51 8.759 16.504 -15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.325 15.728 -13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.418 17.033 -12.903 1.00 0.00 H new ATOM 812 N ARG A 52 7.583 18.695 -14.578 1.00 0.00 N ATOM 813 CA ARG A 52 6.572 19.755 -14.579 1.00 0.00 C ATOM 814 C ARG A 52 5.188 19.242 -14.965 1.00 0.00 C ATOM 815 O ARG A 52 4.220 19.576 -14.290 1.00 0.00 O ATOM 816 CB ARG A 52 7.021 20.974 -15.391 1.00 0.00 C ATOM 817 CG ARG A 52 7.159 20.767 -16.903 1.00 0.00 C ATOM 818 CD ARG A 52 7.688 22.076 -17.484 1.00 0.00 C ATOM 819 NE ARG A 52 7.806 22.020 -18.953 1.00 0.00 N ATOM 820 CZ ARG A 52 8.874 21.612 -19.654 1.00 0.00 C ATOM 821 NH1 ARG A 52 9.977 21.192 -19.037 1.00 0.00 N ATOM 822 NH2 ARG A 52 8.830 21.625 -20.982 1.00 0.00 N ATOM 0 H ARG A 52 8.305 18.799 -15.291 1.00 0.00 H new ATOM 0 HA ARG A 52 6.472 20.102 -13.551 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.309 21.781 -15.219 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.982 21.309 -15.002 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.841 19.945 -17.119 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.198 20.508 -17.347 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.022 22.892 -17.205 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.663 22.298 -17.050 1.00 0.00 H new ATOM 0 HE ARG A 52 6.993 22.322 -19.490 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.017 21.178 -18.018 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.781 20.885 -19.584 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.988 21.944 -21.461 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.638 21.316 -21.522 1.00 0.00 H new ATOM 836 N GLN A 53 5.076 18.405 -16.000 1.00 0.00 N ATOM 837 CA GLN A 53 3.782 17.908 -16.472 1.00 0.00 C ATOM 838 C GLN A 53 3.178 16.930 -15.461 1.00 0.00 C ATOM 839 O GLN A 53 1.962 16.906 -15.294 1.00 0.00 O ATOM 840 CB GLN A 53 3.910 17.236 -17.847 1.00 0.00 C ATOM 841 CG GLN A 53 4.470 18.146 -18.949 1.00 0.00 C ATOM 842 CD GLN A 53 4.811 17.337 -20.197 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.738 16.529 -20.190 1.00 0.00 O ATOM 844 NE2 GLN A 53 4.091 17.528 -21.291 1.00 0.00 N ATOM 0 H GLN A 53 5.874 18.055 -16.531 1.00 0.00 H new ATOM 0 HA GLN A 53 3.116 18.765 -16.574 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.555 16.362 -17.752 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.928 16.876 -18.154 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.740 18.916 -19.197 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.362 18.658 -18.587 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.324 18.201 -21.286 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.303 17.003 -22.139 1.00 0.00 H new ATOM 853 N SER A 54 3.991 16.151 -14.744 1.00 0.00 N ATOM 854 CA SER A 54 3.504 15.354 -13.627 1.00 0.00 C ATOM 855 C SER A 54 3.067 16.255 -12.472 1.00 0.00 C ATOM 856 O SER A 54 2.077 15.952 -11.812 1.00 0.00 O ATOM 857 CB SER A 54 4.548 14.320 -13.211 1.00 0.00 C ATOM 858 OG SER A 54 5.869 14.696 -13.571 1.00 0.00 O ATOM 0 H SER A 54 4.991 16.058 -14.921 1.00 0.00 H new ATOM 0 HA SER A 54 2.620 14.799 -13.942 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.498 14.174 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.309 13.363 -13.674 1.00 0.00 H new ATOM 0 HG SER A 54 6.511 14.208 -13.014 1.00 0.00 H new ATOM 864 N GLY A 55 3.730 17.397 -12.275 1.00 0.00 N ATOM 865 CA GLY A 55 3.277 18.450 -11.379 1.00 0.00 C ATOM 866 C GLY A 55 1.864 18.902 -11.756 1.00 0.00 C ATOM 867 O GLY A 55 0.970 18.912 -10.908 1.00 0.00 O ATOM 0 H GLY A 55 4.610 17.614 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.288 18.090 -10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.961 19.297 -11.428 1.00 0.00 H new ATOM 871 N GLN A 56 1.629 19.189 -13.041 1.00 0.00 N ATOM 872 CA GLN A 56 0.311 19.566 -13.546 1.00 0.00 C ATOM 873 C GLN A 56 -0.700 18.446 -13.303 1.00 0.00 C ATOM 874 O GLN A 56 -1.786 18.713 -12.794 1.00 0.00 O ATOM 875 CB GLN A 56 0.354 19.888 -15.045 1.00 0.00 C ATOM 876 CG GLN A 56 1.283 21.055 -15.400 1.00 0.00 C ATOM 877 CD GLN A 56 1.223 21.395 -16.890 1.00 0.00 C ATOM 878 OE1 GLN A 56 2.076 20.982 -17.671 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.220 22.143 -17.322 1.00 0.00 N ATOM 0 H GLN A 56 2.352 19.165 -13.760 1.00 0.00 H new ATOM 0 HA GLN A 56 0.003 20.461 -13.005 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.677 19.000 -15.589 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.655 20.122 -15.386 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.005 21.932 -14.815 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.307 20.801 -15.126 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.484 22.481 -16.666 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.151 22.381 -18.311 1.00 0.00 H new ATOM 888 N ALA A 57 -0.353 17.194 -13.620 1.00 0.00 N ATOM 889 CA ALA A 57 -1.237 16.058 -13.382 1.00 0.00 C ATOM 890 C ALA A 57 -1.582 15.941 -11.899 1.00 0.00 C ATOM 891 O ALA A 57 -2.716 15.615 -11.557 1.00 0.00 O ATOM 892 CB ALA A 57 -0.605 14.758 -13.888 1.00 0.00 C ATOM 0 H ALA A 57 0.541 16.945 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.159 16.229 -13.938 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.283 13.926 -13.699 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.418 14.837 -14.959 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.336 14.584 -13.367 1.00 0.00 H new ATOM 898 N LYS A 58 -0.632 16.241 -11.013 1.00 0.00 N ATOM 899 CA LYS A 58 -0.883 16.176 -9.576 1.00 0.00 C ATOM 900 C LYS A 58 -1.919 17.234 -9.209 1.00 0.00 C ATOM 901 O LYS A 58 -2.843 16.930 -8.458 1.00 0.00 O ATOM 902 CB LYS A 58 0.437 16.286 -8.783 1.00 0.00 C ATOM 903 CG LYS A 58 0.305 15.810 -7.324 1.00 0.00 C ATOM 904 CD LYS A 58 -0.170 16.891 -6.339 1.00 0.00 C ATOM 905 CE LYS A 58 -0.673 16.227 -5.050 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.356 17.190 -4.152 1.00 0.00 N ATOM 0 H LYS A 58 0.313 16.530 -11.265 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.299 15.207 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.205 15.696 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.774 17.322 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.393 14.974 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.271 15.432 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.647 17.575 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.966 17.483 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.360 15.420 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.168 15.776 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.558 16.732 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.742 18.015 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.248 17.500 -4.589 1.00 0.00 H new ATOM 920 N GLU A 59 -1.818 18.450 -9.750 1.00 0.00 N ATOM 921 CA GLU A 59 -2.803 19.501 -9.509 1.00 0.00 C ATOM 922 C GLU A 59 -4.179 19.107 -10.064 1.00 0.00 C ATOM 923 O GLU A 59 -5.177 19.288 -9.366 1.00 0.00 O ATOM 924 CB GLU A 59 -2.333 20.842 -10.096 1.00 0.00 C ATOM 925 CG GLU A 59 -1.138 21.425 -9.328 1.00 0.00 C ATOM 926 CD GLU A 59 -0.730 22.802 -9.880 1.00 0.00 C ATOM 927 OE1 GLU A 59 0.119 22.875 -10.798 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.240 23.835 -9.387 1.00 0.00 O ATOM 0 H GLU A 59 -1.054 18.731 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.903 19.625 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.058 20.702 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.158 21.554 -10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.392 21.516 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.293 20.740 -9.394 1.00 0.00 H new ATOM 935 N ILE A 60 -4.248 18.517 -11.267 1.00 0.00 N ATOM 936 CA ILE A 60 -5.501 18.014 -11.843 1.00 0.00 C ATOM 937 C ILE A 60 -6.131 17.024 -10.861 1.00 0.00 C ATOM 938 O ILE A 60 -7.308 17.146 -10.520 1.00 0.00 O ATOM 939 CB ILE A 60 -5.261 17.362 -13.233 1.00 0.00 C ATOM 940 CG1 ILE A 60 -4.846 18.407 -14.293 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.505 16.607 -13.742 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.446 17.784 -15.641 1.00 0.00 C ATOM 0 H ILE A 60 -3.435 18.376 -11.867 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.186 18.846 -12.004 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.448 16.650 -13.090 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.672 19.100 -14.452 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.010 18.991 -13.909 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.291 16.168 -14.716 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.765 15.817 -13.037 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.340 17.301 -13.833 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.166 18.574 -16.338 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.600 17.113 -15.495 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.288 17.223 -16.047 1.00 0.00 H new ATOM 954 N LEU A 61 -5.364 16.038 -10.394 1.00 0.00 N ATOM 955 CA LEU A 61 -5.920 14.977 -9.567 1.00 0.00 C ATOM 956 C LEU A 61 -6.231 15.463 -8.150 1.00 0.00 C ATOM 957 O LEU A 61 -7.132 14.919 -7.510 1.00 0.00 O ATOM 958 CB LEU A 61 -5.004 13.747 -9.574 1.00 0.00 C ATOM 959 CG LEU A 61 -4.826 13.088 -10.960 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.994 11.808 -10.826 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.166 12.772 -11.630 1.00 0.00 C ATOM 0 H LEU A 61 -4.364 15.956 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.874 14.677 -10.001 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.024 14.037 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.406 13.006 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.305 13.804 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.873 11.349 -11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.014 12.052 -10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.503 11.111 -10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.987 12.310 -12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.734 12.087 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.732 13.694 -11.765 1.00 0.00 H new ATOM 973 N SER A 62 -5.557 16.514 -7.679 1.00 0.00 N ATOM 974 CA SER A 62 -5.911 17.191 -6.439 1.00 0.00 C ATOM 975 C SER A 62 -7.261 17.901 -6.589 1.00 0.00 C ATOM 976 O SER A 62 -8.077 17.845 -5.671 1.00 0.00 O ATOM 977 CB SER A 62 -4.816 18.186 -6.042 1.00 0.00 C ATOM 978 OG SER A 62 -3.562 17.532 -5.944 1.00 0.00 O ATOM 0 H SER A 62 -4.748 16.918 -8.152 1.00 0.00 H new ATOM 0 HA SER A 62 -5.999 16.447 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.759 18.986 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.066 18.650 -5.088 1.00 0.00 H new ATOM 0 HG SER A 62 -3.176 17.429 -6.839 1.00 0.00 H new ATOM 984 N GLU A 63 -7.544 18.512 -7.746 1.00 0.00 N ATOM 985 CA GLU A 63 -8.843 19.122 -8.026 1.00 0.00 C ATOM 986 C GLU A 63 -9.930 18.038 -8.126 1.00 0.00 C ATOM 987 O GLU A 63 -11.038 18.227 -7.620 1.00 0.00 O ATOM 988 CB GLU A 63 -8.749 19.981 -9.299 1.00 0.00 C ATOM 989 CG GLU A 63 -10.011 20.824 -9.525 1.00 0.00 C ATOM 990 CD GLU A 63 -9.855 21.764 -10.733 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.385 22.913 -10.562 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.226 21.378 -11.865 1.00 0.00 O ATOM 0 H GLU A 63 -6.876 18.596 -8.513 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.127 19.781 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.883 20.639 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.588 19.334 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.865 20.166 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.222 21.411 -8.631 1.00 0.00 H new ATOM 999 N MET A 64 -9.599 16.874 -8.700 1.00 0.00 N ATOM 1000 CA MET A 64 -10.462 15.688 -8.691 1.00 0.00 C ATOM 1001 C MET A 64 -10.627 15.096 -7.278 1.00 0.00 C ATOM 1002 O MET A 64 -11.511 14.263 -7.067 1.00 0.00 O ATOM 1003 CB MET A 64 -9.918 14.618 -9.653 1.00 0.00 C ATOM 1004 CG MET A 64 -9.972 15.022 -11.132 1.00 0.00 C ATOM 1005 SD MET A 64 -11.635 15.190 -11.844 1.00 0.00 S ATOM 1006 CE MET A 64 -12.213 13.470 -11.742 1.00 0.00 C ATOM 0 H MET A 64 -8.715 16.729 -9.188 1.00 0.00 H new ATOM 0 HA MET A 64 -11.448 16.008 -9.028 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.885 14.395 -9.385 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.488 13.699 -9.517 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.449 15.971 -11.249 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.422 14.281 -11.712 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.106 13.349 -12.356 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.431 12.801 -12.103 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.449 13.226 -10.706 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.810 15.513 -6.305 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.950 15.160 -4.899 1.00 0.00 C ATOM 1018 C GLY A 65 -9.283 13.839 -4.522 1.00 0.00 C ATOM 1019 O GLY A 65 -9.592 13.312 -3.452 1.00 0.00 O ATOM 0 H GLY A 65 -9.012 16.123 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.524 15.957 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.010 15.103 -4.653 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.408 13.277 -5.366 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.675 12.052 -5.045 1.00 0.00 C ATOM 1025 C TYR A 66 -6.762 12.354 -3.853 1.00 0.00 C ATOM 1026 O TYR A 66 -5.948 13.279 -3.901 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.918 11.521 -6.270 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.799 10.764 -7.251 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.797 11.441 -7.980 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -7.666 9.367 -7.387 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.690 10.728 -8.799 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -8.557 8.647 -8.205 1.00 0.00 C ATOM 1033 CZ TYR A 66 -9.583 9.322 -8.902 1.00 0.00 C ATOM 1034 OH TYR A 66 -10.465 8.614 -9.663 1.00 0.00 O ATOM 0 H TYR A 66 -8.191 13.659 -6.286 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.360 11.251 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.449 12.358 -6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.116 10.864 -5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.876 12.516 -7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.878 8.848 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.457 11.254 -9.349 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.456 7.576 -8.300 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.242 7.661 -9.620 1.00 0.00 H new ATOM 1044 N THR A 67 -6.920 11.590 -2.773 1.00 0.00 N ATOM 1045 CA THR A 67 -6.379 11.907 -1.463 1.00 0.00 C ATOM 1046 C THR A 67 -4.846 11.844 -1.364 1.00 0.00 C ATOM 1047 O THR A 67 -4.267 12.609 -0.589 1.00 0.00 O ATOM 1048 CB THR A 67 -7.047 10.956 -0.449 1.00 0.00 C ATOM 1049 OG1 THR A 67 -8.393 10.659 -0.813 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.102 11.575 0.943 1.00 0.00 C ATOM 0 H THR A 67 -7.441 10.713 -2.791 1.00 0.00 H new ATOM 0 HA THR A 67 -6.607 12.951 -1.248 1.00 0.00 H new ATOM 0 HB THR A 67 -6.439 10.051 -0.449 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.785 10.053 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.579 10.878 1.632 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.090 11.790 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.677 12.500 0.907 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.174 10.977 -2.136 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.761 10.649 -1.918 1.00 0.00 C ATOM 1060 C HIS A 68 -1.974 10.564 -3.236 1.00 0.00 C ATOM 1061 O HIS A 68 -1.185 9.641 -3.444 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.673 9.355 -1.084 1.00 0.00 C ATOM 1063 CG HIS A 68 -3.305 9.441 0.285 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -4.362 8.686 0.740 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.923 10.260 1.315 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -4.614 9.041 2.010 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.761 10.003 2.411 1.00 0.00 N ATOM 0 H HIS A 68 -4.594 10.486 -2.925 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.287 11.456 -1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.151 8.548 -1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.623 9.084 -0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.867 7.979 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.117 10.978 1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.393 8.614 2.625 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.203 11.503 -4.156 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.370 11.630 -5.353 1.00 0.00 C ATOM 1077 C VAL A 69 -0.070 12.349 -4.968 1.00 0.00 C ATOM 1078 O VAL A 69 -0.083 13.248 -4.122 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.126 12.368 -6.476 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.411 12.246 -7.832 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.546 11.807 -6.628 1.00 0.00 C ATOM 0 H VAL A 69 -2.958 12.186 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.126 10.642 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.160 13.419 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.980 12.781 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.412 12.676 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.334 11.195 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.064 12.340 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.494 10.747 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.090 11.935 -5.692 1.00 0.00 H new ATOM 1091 N GLU A 70 1.039 11.999 -5.617 1.00 0.00 N ATOM 1092 CA GLU A 70 2.349 12.598 -5.419 1.00 0.00 C ATOM 1093 C GLU A 70 3.050 12.686 -6.779 1.00 0.00 C ATOM 1094 O GLU A 70 2.993 11.744 -7.575 1.00 0.00 O ATOM 1095 CB GLU A 70 3.129 11.714 -4.432 1.00 0.00 C ATOM 1096 CG GLU A 70 4.529 12.256 -4.122 1.00 0.00 C ATOM 1097 CD GLU A 70 5.256 11.358 -3.111 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.676 10.243 -3.493 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.426 11.763 -1.937 1.00 0.00 O ATOM 0 H GLU A 70 1.045 11.261 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 70 2.280 13.604 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.564 11.629 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.217 10.709 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.110 12.319 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.451 13.268 -3.725 1.00 0.00 H new ATOM 1106 N ASN A 71 3.718 13.809 -7.056 1.00 0.00 N ATOM 1107 CA ASN A 71 4.601 13.910 -8.212 1.00 0.00 C ATOM 1108 C ASN A 71 5.913 13.214 -7.856 1.00 0.00 C ATOM 1109 O ASN A 71 6.631 13.664 -6.960 1.00 0.00 O ATOM 1110 CB ASN A 71 4.857 15.371 -8.607 1.00 0.00 C ATOM 1111 CG ASN A 71 5.770 15.468 -9.829 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.135 14.477 -10.447 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.145 16.664 -10.226 1.00 0.00 N ATOM 0 H ASN A 71 3.662 14.658 -6.494 1.00 0.00 H new ATOM 0 HA ASN A 71 4.131 13.433 -9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.908 15.863 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.310 15.902 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.740 16.765 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.841 17.491 -9.711 1.00 0.00 H new ATOM 1120 N ALA A 72 6.215 12.113 -8.541 1.00 0.00 N ATOM 1121 CA ALA A 72 7.435 11.349 -8.340 1.00 0.00 C ATOM 1122 C ALA A 72 8.667 12.079 -8.886 1.00 0.00 C ATOM 1123 O ALA A 72 9.771 11.862 -8.383 1.00 0.00 O ATOM 1124 CB ALA A 72 7.283 10.013 -9.065 1.00 0.00 C ATOM 0 H ALA A 72 5.607 11.724 -9.261 1.00 0.00 H new ATOM 0 HA ALA A 72 7.584 11.208 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.188 9.420 -8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.430 9.472 -8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.123 10.192 -10.128 1.00 0.00 H new ATOM 1130 N GLY A 73 8.497 12.902 -9.924 1.00 0.00 N ATOM 1131 CA GLY A 73 9.577 13.504 -10.687 1.00 0.00 C ATOM 1132 C GLY A 73 9.272 13.347 -12.170 1.00 0.00 C ATOM 1133 O GLY A 73 8.111 13.363 -12.583 1.00 0.00 O ATOM 0 H GLY A 73 7.573 13.172 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.678 14.559 -10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.525 13.025 -10.443 1.00 0.00 H new ATOM 1137 N GLY A 74 10.314 13.163 -12.974 1.00 0.00 N ATOM 1138 CA GLY A 74 10.210 12.809 -14.380 1.00 0.00 C ATOM 1139 C GLY A 74 10.992 11.530 -14.637 1.00 0.00 C ATOM 1140 O GLY A 74 11.759 11.078 -13.788 1.00 0.00 O ATOM 0 H GLY A 74 11.278 13.259 -12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.164 12.671 -14.655 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.599 13.617 -15.000 1.00 0.00 H new ATOM 1144 N LEU A 75 10.824 10.939 -15.814 1.00 0.00 N ATOM 1145 CA LEU A 75 11.477 9.696 -16.206 1.00 0.00 C ATOM 1146 C LEU A 75 13.000 9.847 -16.306 1.00 0.00 C ATOM 1147 O LEU A 75 13.728 8.865 -16.142 1.00 0.00 O ATOM 1148 CB LEU A 75 10.875 9.248 -17.547 1.00 0.00 C ATOM 1149 CG LEU A 75 11.402 7.902 -18.070 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.118 6.765 -17.083 1.00 0.00 C ATOM 1151 CD2 LEU A 75 10.744 7.590 -19.410 1.00 0.00 C ATOM 0 H LEU A 75 10.216 11.320 -16.539 1.00 0.00 H new ATOM 0 HA LEU A 75 11.301 8.941 -15.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.792 9.182 -17.440 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.075 10.016 -18.294 1.00 0.00 H new ATOM 0 HG LEU A 75 12.483 7.982 -18.189 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.504 5.829 -17.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.605 6.979 -16.131 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.043 6.677 -16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.115 6.636 -19.784 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.663 7.533 -19.280 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.983 8.378 -20.125 1.00 0.00 H new ATOM 1163 N LYS A 76 13.496 11.066 -16.555 1.00 0.00 N ATOM 1164 CA LYS A 76 14.929 11.361 -16.512 1.00 0.00 C ATOM 1165 C LYS A 76 15.449 11.522 -15.077 1.00 0.00 C ATOM 1166 O LYS A 76 16.656 11.687 -14.895 1.00 0.00 O ATOM 1167 CB LYS A 76 15.228 12.603 -17.375 1.00 0.00 C ATOM 1168 CG LYS A 76 14.895 13.942 -16.688 1.00 0.00 C ATOM 1169 CD LYS A 76 14.810 15.115 -17.677 1.00 0.00 C ATOM 1170 CE LYS A 76 16.120 15.328 -18.452 1.00 0.00 C ATOM 1171 NZ LYS A 76 16.028 16.461 -19.406 1.00 0.00 N ATOM 0 H LYS A 76 12.915 11.871 -16.791 1.00 0.00 H new ATOM 0 HA LYS A 76 15.466 10.508 -16.928 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.284 12.599 -17.645 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.661 12.532 -18.303 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.946 13.848 -16.161 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.656 14.159 -15.938 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.000 14.933 -18.383 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.561 16.027 -17.134 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.931 15.513 -17.748 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.371 14.417 -18.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.933 16.568 -19.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.272 16.274 -20.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.814 17.336 -18.886 1.00 0.00 H new ATOM 1185 N ASP A 77 14.570 11.506 -14.069 1.00 0.00 N ATOM 1186 CA ASP A 77 14.890 11.873 -12.691 1.00 0.00 C ATOM 1187 C ASP A 77 14.588 10.747 -11.701 1.00 0.00 C ATOM 1188 O ASP A 77 15.370 10.577 -10.762 1.00 0.00 O ATOM 1189 CB ASP A 77 14.139 13.151 -12.303 1.00 0.00 C ATOM 1190 CG ASP A 77 14.438 13.549 -10.848 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.551 14.051 -10.570 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.546 13.396 -9.985 1.00 0.00 O ATOM 0 H ASP A 77 13.596 11.231 -14.194 1.00 0.00 H new ATOM 0 HA ASP A 77 15.964 12.055 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.426 13.962 -12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.067 12.999 -12.429 1.00 0.00 H new ATOM 1197 N ILE A 78 13.532 9.937 -11.897 1.00 0.00 N ATOM 1198 CA ILE A 78 13.369 8.713 -11.108 1.00 0.00 C ATOM 1199 C ILE A 78 14.594 7.809 -11.344 1.00 0.00 C ATOM 1200 O ILE A 78 15.135 7.751 -12.453 1.00 0.00 O ATOM 1201 CB ILE A 78 12.042 8.009 -11.466 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.825 8.897 -11.138 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.894 6.677 -10.699 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.596 8.476 -11.942 1.00 0.00 C ATOM 0 H ILE A 78 12.795 10.106 -12.582 1.00 0.00 H new ATOM 0 HA ILE A 78 13.315 8.952 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 78 12.071 7.816 -12.538 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.604 8.835 -10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.064 9.938 -11.354 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.951 6.203 -10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.720 6.015 -10.957 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.907 6.871 -9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.756 9.122 -11.687 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.811 8.563 -13.007 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.343 7.442 -11.706 1.00 0.00 H new ATOM 1216 N ALA A 79 14.997 7.068 -10.306 1.00 0.00 N ATOM 1217 CA ALA A 79 16.136 6.161 -10.307 1.00 0.00 C ATOM 1218 C ALA A 79 15.666 4.792 -9.800 1.00 0.00 C ATOM 1219 O ALA A 79 16.026 4.358 -8.703 1.00 0.00 O ATOM 1220 CB ALA A 79 17.284 6.767 -9.487 1.00 0.00 C ATOM 0 H ALA A 79 14.514 7.089 -9.408 1.00 0.00 H new ATOM 0 HA ALA A 79 16.532 6.016 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.134 6.084 -9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.581 7.719 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.953 6.928 -8.461 1.00 0.00 H new ATOM 1226 N MET A 80 14.813 4.134 -10.591 1.00 0.00 N ATOM 1227 CA MET A 80 14.336 2.771 -10.357 1.00 0.00 C ATOM 1228 C MET A 80 14.276 2.035 -11.707 1.00 0.00 C ATOM 1229 O MET A 80 14.376 2.700 -12.744 1.00 0.00 O ATOM 1230 CB MET A 80 12.988 2.794 -9.604 1.00 0.00 C ATOM 1231 CG MET A 80 11.741 2.956 -10.481 1.00 0.00 C ATOM 1232 SD MET A 80 10.190 3.068 -9.546 1.00 0.00 S ATOM 1233 CE MET A 80 10.045 1.378 -8.904 1.00 0.00 C ATOM 0 H MET A 80 14.424 4.550 -11.438 1.00 0.00 H new ATOM 0 HA MET A 80 15.023 2.222 -9.713 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.893 1.868 -9.037 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.010 3.610 -8.881 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.852 3.853 -11.090 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.680 2.111 -11.167 1.00 0.00 H new ATOM 0 HE1 MET A 80 9.065 1.246 -8.444 1.00 0.00 H new ATOM 0 HE2 MET A 80 10.161 0.667 -9.722 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.822 1.204 -8.159 1.00 0.00 H new ATOM 1243 N PRO A 81 14.139 0.694 -11.726 1.00 0.00 N ATOM 1244 CA PRO A 81 14.136 -0.092 -12.955 1.00 0.00 C ATOM 1245 C PRO A 81 13.124 0.401 -13.995 1.00 0.00 C ATOM 1246 O PRO A 81 12.020 0.853 -13.663 1.00 0.00 O ATOM 1247 CB PRO A 81 13.852 -1.537 -12.534 1.00 0.00 C ATOM 1248 CG PRO A 81 14.369 -1.592 -11.099 1.00 0.00 C ATOM 1249 CD PRO A 81 14.061 -0.193 -10.571 1.00 0.00 C ATOM 0 HA PRO A 81 15.099 0.003 -13.456 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.789 -1.770 -12.588 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.368 -2.252 -13.175 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.864 -2.363 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.436 -1.812 -11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.071 -0.156 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.776 0.101 -9.803 1.00 0.00 H new ATOM 1257 N LYS A 82 13.487 0.246 -15.269 1.00 0.00 N ATOM 1258 CA LYS A 82 12.672 0.630 -16.410 1.00 0.00 C ATOM 1259 C LYS A 82 12.407 -0.601 -17.268 1.00 0.00 C ATOM 1260 O LYS A 82 13.133 -1.596 -17.199 1.00 0.00 O ATOM 1261 CB LYS A 82 13.377 1.736 -17.218 1.00 0.00 C ATOM 1262 CG LYS A 82 13.540 3.043 -16.424 1.00 0.00 C ATOM 1263 CD LYS A 82 14.253 4.112 -17.259 1.00 0.00 C ATOM 1264 CE LYS A 82 14.392 5.420 -16.467 1.00 0.00 C ATOM 1265 NZ LYS A 82 15.125 6.461 -17.228 1.00 0.00 N ATOM 0 H LYS A 82 14.382 -0.162 -15.537 1.00 0.00 H new ATOM 0 HA LYS A 82 11.718 1.030 -16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.359 1.381 -17.530 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.807 1.936 -18.125 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.561 3.410 -16.118 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.107 2.850 -15.513 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.239 3.753 -17.552 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.695 4.295 -18.177 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.401 5.792 -16.207 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.914 5.222 -15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.717 7.395 -17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.127 6.452 -16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.045 6.267 -18.247 1.00 0.00 H new ATOM 1279 N VAL A 83 11.371 -0.512 -18.089 1.00 0.00 N ATOM 1280 CA VAL A 83 10.879 -1.542 -18.991 1.00 0.00 C ATOM 1281 C VAL A 83 10.697 -0.840 -20.345 1.00 0.00 C ATOM 1282 O VAL A 83 10.580 0.388 -20.394 1.00 0.00 O ATOM 1283 CB VAL A 83 9.584 -2.137 -18.384 1.00 0.00 C ATOM 1284 CG1 VAL A 83 8.895 -3.161 -19.299 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.862 -2.833 -17.038 1.00 0.00 C ATOM 0 H VAL A 83 10.814 0.341 -18.146 1.00 0.00 H new ATOM 0 HA VAL A 83 11.549 -2.390 -19.133 1.00 0.00 H new ATOM 0 HB VAL A 83 8.922 -1.281 -18.251 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.995 -3.537 -18.812 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.625 -2.684 -20.241 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.575 -3.990 -19.494 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.932 -3.239 -16.640 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.577 -3.642 -17.188 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.274 -2.111 -16.333 1.00 0.00 H new ATOM 1295 N LYS A 84 10.734 -1.587 -21.452 1.00 0.00 N ATOM 1296 CA LYS A 84 10.776 -1.041 -22.811 1.00 0.00 C ATOM 1297 C LYS A 84 9.782 -1.802 -23.686 1.00 0.00 C ATOM 1298 O LYS A 84 9.441 -2.948 -23.376 1.00 0.00 O ATOM 1299 CB LYS A 84 12.204 -1.153 -23.386 1.00 0.00 C ATOM 1300 CG LYS A 84 13.263 -0.422 -22.543 1.00 0.00 C ATOM 1301 CD LYS A 84 14.659 -0.459 -23.189 1.00 0.00 C ATOM 1302 CE LYS A 84 15.631 0.499 -22.476 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.606 1.867 -23.052 1.00 0.00 N ATOM 0 H LYS A 84 10.736 -2.607 -21.428 1.00 0.00 H new ATOM 0 HA LYS A 84 10.501 0.014 -22.791 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.475 -2.206 -23.462 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.213 -0.747 -24.398 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.959 0.615 -22.403 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.312 -0.876 -21.553 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.053 -1.475 -23.151 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.582 -0.186 -24.241 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.375 0.549 -21.418 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.643 0.099 -22.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.663 2.568 -22.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.416 1.989 -23.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.722 2.005 -23.582 1.00 0.00 H new ATOM 1317 N GLY A 85 9.318 -1.168 -24.766 1.00 0.00 N ATOM 1318 CA GLY A 85 8.455 -1.792 -25.760 1.00 0.00 C ATOM 1319 C GLY A 85 9.136 -3.025 -26.345 1.00 0.00 C ATOM 1320 O GLY A 85 10.326 -2.935 -26.715 1.00 0.00 O ATOM 1321 OXT GLY A 85 8.477 -4.079 -26.444 1.00 0.00 O ATOM 0 H GLY A 85 9.537 -0.194 -24.973 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.506 -2.073 -25.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.229 -1.081 -26.554 1.00 0.00 H new TER 1325 GLY A 85