USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1074 hydrogens (12 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 100 ASN :FLIP amide:sc= -0.6 F(o=-5!,f=-3.4) USER MOD Set 1.2: A 119 TYR OH : rot 180:sc= -2.78 USER MOD Set 2.1: A 115 GLN : amide:sc= -0.969 K(o=-0.4,f=-12!) USER MOD Set 2.2: A 117 TYR OH : rot -103:sc= 0.574 USER MOD Set 3.1: A 81 THR OG1 : rot 180:sc= 0.00672 USER MOD Set 3.2: A 92 LYS NZ :NH3+ 160:sc= 0.00648 (180deg=0) USER MOD Set 4.1: A 11 SER OG : rot 110:sc= -1.19 USER MOD Set 4.2: A 33 HIS :FLIP no HD1:sc= -3.64 F(o=-6.3!,f=-4.8) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.4!) USER MOD Single : A 14 TYR OH : rot -123:sc= 0.651 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 156:sc= -2.25 (180deg=-4.45) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= -0.0696 (180deg=-0.0696) USER MOD Single : A 21 MET CE :methyl -165:sc= -3.27 (180deg=-3.88!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -1.59 (180deg=-3.87!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= -0.907 (180deg=-1.83) USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 41 THR OG1 : rot 62:sc= -0.116 USER MOD Single : A 42 GLN : amide:sc= -0.0896 K(o=-0.09,f=-2.4!) USER MOD Single : A 45 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.37) USER MOD Single : A 46 LYS NZ :NH3+ -129:sc= -0.0208 (180deg=-0.828) USER MOD Single : A 48 THR OG1 : rot 166:sc= -0.946 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -1.65! USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.73) USER MOD Single : A 70 TYR OH : rot -68:sc= -2.96! USER MOD Single : A 71 ASN : amide:sc= -0.696 X(o=-0.7,f=-0.91) USER MOD Single : A 76 THR OG1 : rot 162:sc= 0.944 USER MOD Single : A 83 SER OG : rot 13:sc= 0.00501 USER MOD Single : A 87 ASN : amide:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.729 (180deg=-2.07!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.849 K(o=0.85,f=-0.0057) USER MOD Single : A 103 ASN : amide:sc= -0.303 K(o=-0.3,f=-5.9!) USER MOD Single : A 104 THR OG1 : rot 170:sc= -3.52 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 178:sc= 0.252 (180deg=0.25) USER MOD Single : A 129 LYS NZ :NH3+ 157:sc= 0.762 (180deg=0.228) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 KTR O3 : rot -119:sc= -1.34! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.611 0.844 17.464 1.00 0.00 N ATOM 2 CA ALA A 1 -4.284 -0.412 17.043 1.00 0.00 C ATOM 3 C ALA A 1 -4.027 -0.702 15.567 1.00 0.00 C ATOM 4 O ALA A 1 -4.920 -0.564 14.732 1.00 0.00 O ATOM 5 CB ALA A 1 -5.779 -0.325 17.311 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.801 1.019 18.471 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.586 0.755 17.316 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.975 1.639 16.900 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.868 -1.232 17.628 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.259 -1.252 16.998 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.949 -0.170 18.376 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.201 0.510 16.751 1.00 0.00 H new ATOM 13 N PHE A 2 -2.799 -1.103 15.254 1.00 0.00 N ATOM 14 CA PHE A 2 -2.424 -1.412 13.879 1.00 0.00 C ATOM 15 C PHE A 2 -2.690 -2.881 13.560 1.00 0.00 C ATOM 16 O PHE A 2 -3.310 -3.205 12.547 1.00 0.00 O ATOM 17 CB PHE A 2 -0.949 -1.082 13.645 1.00 0.00 C ATOM 18 CG PHE A 2 -0.731 0.263 13.014 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.348 0.588 11.816 1.00 0.00 C ATOM 20 CD2 PHE A 2 0.089 1.203 13.618 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.151 1.825 11.233 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.290 2.441 13.039 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.331 2.753 11.845 1.00 0.00 C ATOM 0 H PHE A 2 -2.047 -1.221 15.933 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.034 -0.800 13.214 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.421 -1.118 14.598 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.509 -1.849 13.008 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.990 -0.134 11.333 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.576 0.965 14.552 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.638 2.066 10.300 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.932 3.164 13.519 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.176 3.721 11.391 1.00 0.00 H new ATOM 33 N ASP A 3 -2.216 -3.765 14.434 1.00 0.00 N ATOM 34 CA ASP A 3 -2.400 -5.202 14.253 1.00 0.00 C ATOM 35 C ASP A 3 -3.879 -5.549 14.109 1.00 0.00 C ATOM 36 O ASP A 3 -4.632 -5.499 15.081 1.00 0.00 O ATOM 37 CB ASP A 3 -1.802 -5.960 15.442 1.00 0.00 C ATOM 38 CG ASP A 3 -0.733 -6.947 15.021 1.00 0.00 C ATOM 39 OD1 ASP A 3 -1.082 -8.111 14.735 1.00 0.00 O ATOM 40 OD2 ASP A 3 0.452 -6.556 14.981 1.00 0.00 O ATOM 0 H ASP A 3 -1.700 -3.510 15.277 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.886 -5.499 13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.376 -5.246 16.147 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.596 -6.491 15.967 1.00 0.00 H new ATOM 45 N SER A 4 -4.294 -5.894 12.891 1.00 0.00 N ATOM 46 CA SER A 4 -5.690 -6.241 12.633 1.00 0.00 C ATOM 47 C SER A 4 -5.949 -6.430 11.140 1.00 0.00 C ATOM 48 O SER A 4 -5.056 -6.244 10.314 1.00 0.00 O ATOM 49 CB SER A 4 -6.610 -5.139 13.168 1.00 0.00 C ATOM 50 OG SER A 4 -7.598 -5.672 14.033 1.00 0.00 O ATOM 0 H SER A 4 -3.688 -5.941 12.072 1.00 0.00 H new ATOM 0 HA SER A 4 -5.899 -7.181 13.143 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.019 -4.395 13.702 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.091 -4.626 12.335 1.00 0.00 H new ATOM 0 HG SER A 4 -8.170 -4.948 14.362 1.00 0.00 H new ATOM 56 N THR A 5 -7.192 -6.772 10.805 1.00 0.00 N ATOM 57 CA THR A 5 -7.589 -6.953 9.413 1.00 0.00 C ATOM 58 C THR A 5 -8.052 -5.615 8.859 1.00 0.00 C ATOM 59 O THR A 5 -8.911 -4.960 9.449 1.00 0.00 O ATOM 60 CB THR A 5 -8.711 -7.982 9.298 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.321 -9.220 9.866 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.124 -8.240 7.870 1.00 0.00 C ATOM 0 H THR A 5 -7.940 -6.929 11.480 1.00 0.00 H new ATOM 0 HA THR A 5 -6.736 -7.320 8.841 1.00 0.00 H new ATOM 0 HB THR A 5 -9.557 -7.556 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.055 -9.864 9.783 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.924 -8.980 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.476 -7.312 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.270 -8.615 7.306 1.00 0.00 H new ATOM 70 N TRP A 6 -7.455 -5.179 7.755 1.00 0.00 N ATOM 71 CA TRP A 6 -7.800 -3.884 7.188 1.00 0.00 C ATOM 72 C TRP A 6 -8.412 -3.990 5.800 1.00 0.00 C ATOM 73 O TRP A 6 -7.845 -4.589 4.889 1.00 0.00 O ATOM 74 CB TRP A 6 -6.559 -2.990 7.142 1.00 0.00 C ATOM 75 CG TRP A 6 -6.108 -2.523 8.492 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.293 -3.166 9.682 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.394 -1.321 8.792 1.00 0.00 C ATOM 78 NE1 TRP A 6 -5.742 -2.435 10.704 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.184 -1.299 10.184 1.00 0.00 C ATOM 80 CE3 TRP A 6 -4.912 -0.260 8.021 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.515 -0.260 10.820 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.246 0.771 8.654 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.052 0.765 10.042 1.00 0.00 C ATOM 0 H TRP A 6 -6.740 -5.696 7.242 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.557 -3.444 7.837 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.745 -3.536 6.665 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.770 -2.122 6.518 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.799 -4.112 9.802 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.747 -2.696 11.690 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.057 -0.246 6.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.366 -0.262 11.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.868 1.596 8.069 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.526 1.586 10.506 1.00 0.00 H new ATOM 94 N LYS A 7 -9.565 -3.357 5.649 1.00 0.00 N ATOM 95 CA LYS A 7 -10.265 -3.324 4.374 1.00 0.00 C ATOM 96 C LYS A 7 -10.356 -1.898 3.863 1.00 0.00 C ATOM 97 O LYS A 7 -10.875 -1.006 4.533 1.00 0.00 O ATOM 98 CB LYS A 7 -11.663 -3.936 4.492 1.00 0.00 C ATOM 99 CG LYS A 7 -12.557 -3.226 5.494 1.00 0.00 C ATOM 100 CD LYS A 7 -14.028 -3.379 5.139 1.00 0.00 C ATOM 101 CE LYS A 7 -14.768 -2.055 5.245 1.00 0.00 C ATOM 102 NZ LYS A 7 -16.123 -2.222 5.839 1.00 0.00 N ATOM 0 H LYS A 7 -10.039 -2.855 6.400 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.696 -3.922 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.142 -3.917 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.569 -4.983 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.379 -3.629 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.298 -2.168 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.120 -3.768 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.490 -4.109 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.187 -1.362 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.858 -1.609 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.594 -1.297 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.686 -2.863 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.036 -2.623 6.794 1.00 0.00 H new ATOM 116 N VAL A 8 -9.831 -1.693 2.672 1.00 0.00 N ATOM 117 CA VAL A 8 -9.831 -0.383 2.057 1.00 0.00 C ATOM 118 C VAL A 8 -11.252 0.059 1.714 1.00 0.00 C ATOM 119 O VAL A 8 -12.020 -0.697 1.118 1.00 0.00 O ATOM 120 CB VAL A 8 -8.946 -0.377 0.798 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.613 -1.121 -0.353 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.612 1.044 0.401 1.00 0.00 C ATOM 0 H VAL A 8 -9.396 -2.423 2.108 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.419 0.327 2.774 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.019 -0.901 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.962 -1.098 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.793 -2.156 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.562 -0.642 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.986 1.035 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.532 1.589 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.077 1.533 1.215 1.00 0.00 H new ATOM 132 N ASP A 9 -11.603 1.281 2.107 1.00 0.00 N ATOM 133 CA ASP A 9 -12.939 1.808 1.851 1.00 0.00 C ATOM 134 C ASP A 9 -12.998 2.530 0.509 1.00 0.00 C ATOM 135 O ASP A 9 -13.460 1.970 -0.485 1.00 0.00 O ATOM 136 CB ASP A 9 -13.363 2.749 2.982 1.00 0.00 C ATOM 137 CG ASP A 9 -14.735 3.354 2.753 1.00 0.00 C ATOM 138 OD1 ASP A 9 -15.738 2.709 3.124 1.00 0.00 O ATOM 139 OD2 ASP A 9 -14.805 4.473 2.203 1.00 0.00 O ATOM 0 H ASP A 9 -10.983 1.922 2.602 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.633 0.968 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.364 2.201 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.629 3.549 3.079 1.00 0.00 H new ATOM 144 N ARG A 10 -12.530 3.773 0.483 1.00 0.00 N ATOM 145 CA ARG A 10 -12.536 4.558 -0.744 1.00 0.00 C ATOM 146 C ARG A 10 -11.116 4.836 -1.213 1.00 0.00 C ATOM 147 O ARG A 10 -10.171 4.821 -0.422 1.00 0.00 O ATOM 148 CB ARG A 10 -13.279 5.878 -0.540 1.00 0.00 C ATOM 149 CG ARG A 10 -12.819 6.640 0.682 1.00 0.00 C ATOM 150 CD ARG A 10 -13.618 7.918 0.879 1.00 0.00 C ATOM 151 NE ARG A 10 -13.912 8.167 2.288 1.00 0.00 N ATOM 152 CZ ARG A 10 -14.703 9.148 2.718 1.00 0.00 C ATOM 153 NH1 ARG A 10 -15.280 9.972 1.853 1.00 0.00 N ATOM 154 NH2 ARG A 10 -14.918 9.304 4.017 1.00 0.00 N ATOM 0 H ARG A 10 -12.144 4.256 1.294 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.053 3.977 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.143 6.504 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.347 5.676 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.919 6.008 1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.761 6.883 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.061 8.761 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.551 7.852 0.320 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.487 7.554 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.119 9.856 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.885 10.722 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.478 8.673 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.524 10.055 4.347 1.00 0.00 H new ATOM 168 N SER A 11 -10.977 5.089 -2.504 1.00 0.00 N ATOM 169 CA SER A 11 -9.676 5.369 -3.093 1.00 0.00 C ATOM 170 C SER A 11 -9.726 6.631 -3.945 1.00 0.00 C ATOM 171 O SER A 11 -10.728 6.911 -4.603 1.00 0.00 O ATOM 172 CB SER A 11 -9.212 4.181 -3.937 1.00 0.00 C ATOM 173 OG SER A 11 -10.187 3.830 -4.904 1.00 0.00 O ATOM 0 H SER A 11 -11.752 5.106 -3.167 1.00 0.00 H new ATOM 0 HA SER A 11 -8.963 5.530 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.274 4.429 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.013 3.327 -3.290 1.00 0.00 H new ATOM 0 HG SER A 11 -9.860 4.063 -5.798 1.00 0.00 H new ATOM 179 N GLU A 12 -8.637 7.387 -3.926 1.00 0.00 N ATOM 180 CA GLU A 12 -8.546 8.622 -4.696 1.00 0.00 C ATOM 181 C GLU A 12 -7.185 8.726 -5.373 1.00 0.00 C ATOM 182 O GLU A 12 -6.150 8.504 -4.744 1.00 0.00 O ATOM 183 CB GLU A 12 -8.780 9.835 -3.793 1.00 0.00 C ATOM 184 CG GLU A 12 -8.073 9.741 -2.452 1.00 0.00 C ATOM 185 CD GLU A 12 -8.353 10.934 -1.560 1.00 0.00 C ATOM 186 OE1 GLU A 12 -7.967 12.061 -1.938 1.00 0.00 O ATOM 187 OE2 GLU A 12 -8.958 10.743 -0.484 1.00 0.00 O ATOM 0 H GLU A 12 -7.801 7.167 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.319 8.606 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.442 10.733 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.851 9.949 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.387 8.830 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.999 9.660 -2.617 1.00 0.00 H new ATOM 194 N ASN A 13 -7.193 9.055 -6.660 1.00 0.00 N ATOM 195 CA ASN A 13 -5.966 9.176 -7.424 1.00 0.00 C ATOM 196 C ASN A 13 -5.225 7.836 -7.489 1.00 0.00 C ATOM 197 O ASN A 13 -4.072 7.757 -7.927 1.00 0.00 O ATOM 198 CB ASN A 13 -5.083 10.253 -6.811 1.00 0.00 C ATOM 199 CG ASN A 13 -5.327 11.626 -7.412 1.00 0.00 C ATOM 200 OD1 ASN A 13 -4.399 12.418 -7.569 1.00 0.00 O ATOM 201 ND2 ASN A 13 -6.580 11.918 -7.744 1.00 0.00 N ATOM 0 H ASN A 13 -8.042 9.243 -7.194 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.217 9.464 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.261 10.295 -5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.037 9.981 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.802 12.829 -8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.320 11.231 -7.597 1.00 0.00 H new ATOM 208 N TYR A 14 -5.899 6.768 -7.081 1.00 0.00 N ATOM 209 CA TYR A 14 -5.301 5.448 -7.131 1.00 0.00 C ATOM 210 C TYR A 14 -4.920 5.143 -8.575 1.00 0.00 C ATOM 211 O TYR A 14 -3.794 4.738 -8.864 1.00 0.00 O ATOM 212 CB TYR A 14 -6.280 4.410 -6.588 1.00 0.00 C ATOM 213 CG TYR A 14 -5.620 3.164 -6.040 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.543 2.581 -6.691 1.00 0.00 C ATOM 215 CD2 TYR A 14 -6.081 2.569 -4.872 1.00 0.00 C ATOM 216 CE1 TYR A 14 -3.944 1.439 -6.197 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.486 1.428 -4.370 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.418 0.867 -5.036 1.00 0.00 C ATOM 219 OH TYR A 14 -3.824 -0.272 -4.542 1.00 0.00 O ATOM 0 H TYR A 14 -6.851 6.793 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.406 5.414 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.878 4.868 -5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.967 4.124 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.167 3.028 -7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.918 3.006 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.108 0.996 -6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.856 0.978 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.497 -0.978 -4.450 1.00 0.00 H new ATOM 229 N ASP A 15 -5.861 5.393 -9.485 1.00 0.00 N ATOM 230 CA ASP A 15 -5.622 5.193 -10.910 1.00 0.00 C ATOM 231 C ASP A 15 -4.377 5.963 -11.336 1.00 0.00 C ATOM 232 O ASP A 15 -3.692 5.593 -12.288 1.00 0.00 O ATOM 233 CB ASP A 15 -6.829 5.668 -11.721 1.00 0.00 C ATOM 234 CG ASP A 15 -8.095 4.910 -11.374 1.00 0.00 C ATOM 235 OD1 ASP A 15 -8.714 5.232 -10.338 1.00 0.00 O ATOM 236 OD2 ASP A 15 -8.467 3.994 -12.137 1.00 0.00 O ATOM 0 H ASP A 15 -6.795 5.734 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.470 4.130 -11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.986 6.732 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.618 5.550 -12.784 1.00 0.00 H new ATOM 241 N LYS A 16 -4.088 7.035 -10.603 1.00 0.00 N ATOM 242 CA LYS A 16 -2.923 7.866 -10.869 1.00 0.00 C ATOM 243 C LYS A 16 -1.662 7.024 -10.856 1.00 0.00 C ATOM 244 O LYS A 16 -0.796 7.163 -11.720 1.00 0.00 O ATOM 245 CB LYS A 16 -2.828 8.969 -9.814 1.00 0.00 C ATOM 246 CG LYS A 16 -2.271 10.277 -10.332 1.00 0.00 C ATOM 247 CD LYS A 16 -3.339 11.348 -10.371 1.00 0.00 C ATOM 248 CE LYS A 16 -3.065 12.376 -11.457 1.00 0.00 C ATOM 249 NZ LYS A 16 -2.408 13.597 -10.913 1.00 0.00 N ATOM 0 H LYS A 16 -4.652 7.349 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.027 8.319 -11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.821 9.148 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.200 8.619 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.448 10.603 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.862 10.131 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.311 10.886 -10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.390 11.846 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.430 11.933 -12.224 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.002 12.653 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.238 14.273 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.025 14.034 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.501 13.337 -10.475 1.00 0.00 H new ATOM 263 N PHE A 17 -1.565 6.153 -9.866 1.00 0.00 N ATOM 264 CA PHE A 17 -0.399 5.287 -9.737 1.00 0.00 C ATOM 265 C PHE A 17 -0.382 4.230 -10.832 1.00 0.00 C ATOM 266 O PHE A 17 0.679 3.730 -11.207 1.00 0.00 O ATOM 267 CB PHE A 17 -0.356 4.648 -8.348 1.00 0.00 C ATOM 268 CG PHE A 17 -0.021 5.640 -7.280 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.441 6.952 -7.416 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.727 5.283 -6.161 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.132 7.897 -6.475 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.037 6.232 -5.208 1.00 0.00 C ATOM 273 CZ PHE A 17 0.610 7.541 -5.367 1.00 0.00 C ATOM 0 H PHE A 17 -2.273 6.025 -9.143 1.00 0.00 H new ATOM 0 HA PHE A 17 0.496 5.897 -9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.322 4.193 -8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.382 3.846 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.023 7.235 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.064 4.264 -6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.467 8.916 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.613 5.954 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.858 8.283 -4.623 1.00 0.00 H new ATOM 283 N MET A 18 -1.557 3.908 -11.358 1.00 0.00 N ATOM 284 CA MET A 18 -1.661 2.929 -12.426 1.00 0.00 C ATOM 285 C MET A 18 -1.016 3.465 -13.702 1.00 0.00 C ATOM 286 O MET A 18 -0.500 2.698 -14.515 1.00 0.00 O ATOM 287 CB MET A 18 -3.127 2.581 -12.693 1.00 0.00 C ATOM 288 CG MET A 18 -3.685 1.528 -11.754 1.00 0.00 C ATOM 289 SD MET A 18 -4.026 2.169 -10.105 1.00 0.00 S ATOM 290 CE MET A 18 -2.506 1.742 -9.258 1.00 0.00 C ATOM 0 H MET A 18 -2.447 4.310 -11.062 1.00 0.00 H new ATOM 0 HA MET A 18 -1.136 2.026 -12.115 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.728 3.487 -12.607 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.226 2.229 -13.720 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.603 1.121 -12.177 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.976 0.703 -11.678 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.366 2.406 -8.405 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.561 0.711 -8.909 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.665 1.849 -9.943 1.00 0.00 H new ATOM 300 N GLU A 19 -1.061 4.786 -13.881 1.00 0.00 N ATOM 301 CA GLU A 19 -0.493 5.409 -15.073 1.00 0.00 C ATOM 302 C GLU A 19 0.987 5.765 -14.902 1.00 0.00 C ATOM 303 O GLU A 19 1.835 5.288 -15.657 1.00 0.00 O ATOM 304 CB GLU A 19 -1.287 6.665 -15.438 1.00 0.00 C ATOM 305 CG GLU A 19 -2.793 6.456 -15.428 1.00 0.00 C ATOM 306 CD GLU A 19 -3.243 5.418 -16.437 1.00 0.00 C ATOM 307 OE1 GLU A 19 -3.274 4.220 -16.084 1.00 0.00 O ATOM 308 OE2 GLU A 19 -3.566 5.803 -17.581 1.00 0.00 O ATOM 0 H GLU A 19 -1.482 5.439 -13.220 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.561 4.677 -15.878 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.034 7.461 -14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.982 7.003 -16.428 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.107 6.148 -14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.289 7.403 -15.640 1.00 0.00 H new ATOM 315 N LYS A 20 1.292 6.616 -13.923 1.00 0.00 N ATOM 316 CA LYS A 20 2.670 7.046 -13.677 1.00 0.00 C ATOM 317 C LYS A 20 3.619 5.854 -13.586 1.00 0.00 C ATOM 318 O LYS A 20 4.682 5.846 -14.207 1.00 0.00 O ATOM 319 CB LYS A 20 2.742 7.864 -12.385 1.00 0.00 C ATOM 320 CG LYS A 20 3.071 9.330 -12.587 1.00 0.00 C ATOM 321 CD LYS A 20 4.426 9.548 -13.222 1.00 0.00 C ATOM 322 CE LYS A 20 5.507 8.718 -12.557 1.00 0.00 C ATOM 323 NZ LYS A 20 6.816 8.843 -13.256 1.00 0.00 N ATOM 0 H LYS A 20 0.605 7.022 -13.287 1.00 0.00 H new ATOM 0 HA LYS A 20 2.982 7.664 -14.519 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.786 7.787 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.494 7.422 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.304 9.786 -13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.041 9.840 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.375 9.295 -14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.690 10.604 -13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.619 9.033 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.203 7.671 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.527 8.260 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.717 8.519 -14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.120 9.838 -13.248 1.00 0.00 H new ATOM 337 N MET A 21 3.231 4.854 -12.804 1.00 0.00 N ATOM 338 CA MET A 21 4.050 3.661 -12.626 1.00 0.00 C ATOM 339 C MET A 21 3.750 2.624 -13.704 1.00 0.00 C ATOM 340 O MET A 21 4.608 1.814 -14.055 1.00 0.00 O ATOM 341 CB MET A 21 3.807 3.061 -11.239 1.00 0.00 C ATOM 342 CG MET A 21 4.600 1.791 -10.974 1.00 0.00 C ATOM 343 SD MET A 21 3.590 0.476 -10.266 1.00 0.00 S ATOM 344 CE MET A 21 2.670 1.388 -9.028 1.00 0.00 C ATOM 0 H MET A 21 2.354 4.845 -12.283 1.00 0.00 H new ATOM 0 HA MET A 21 5.097 3.950 -12.714 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.063 3.803 -10.482 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.744 2.845 -11.128 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.042 1.442 -11.907 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.423 2.016 -10.296 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.205 0.689 -8.332 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.347 2.046 -8.483 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.898 1.984 -9.514 1.00 0.00 H new ATOM 354 N GLY A 22 2.528 2.651 -14.224 1.00 0.00 N ATOM 355 CA GLY A 22 2.142 1.703 -15.251 1.00 0.00 C ATOM 356 C GLY A 22 1.649 0.397 -14.664 1.00 0.00 C ATOM 357 O GLY A 22 2.152 -0.675 -15.003 1.00 0.00 O ATOM 0 H GLY A 22 1.799 3.311 -13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.359 2.140 -15.871 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.994 1.508 -15.903 1.00 0.00 H new ATOM 361 N VAL A 23 0.661 0.488 -13.781 1.00 0.00 N ATOM 362 CA VAL A 23 0.095 -0.696 -13.140 1.00 0.00 C ATOM 363 C VAL A 23 -1.026 -1.280 -13.992 1.00 0.00 C ATOM 364 O VAL A 23 -1.999 -0.596 -14.306 1.00 0.00 O ATOM 365 CB VAL A 23 -0.451 -0.370 -11.733 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.728 -1.644 -10.948 1.00 0.00 C ATOM 367 CG2 VAL A 23 0.512 0.531 -10.971 1.00 0.00 C ATOM 0 H VAL A 23 0.235 1.368 -13.492 1.00 0.00 H new ATOM 0 HA VAL A 23 0.898 -1.427 -13.041 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.393 0.165 -11.856 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.112 -1.387 -9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.466 -2.245 -11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.195 -2.214 -10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.105 0.746 -9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.474 0.029 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.648 1.464 -11.518 1.00 0.00 H new ATOM 377 N ASN A 24 -0.878 -2.544 -14.376 1.00 0.00 N ATOM 378 CA ASN A 24 -1.871 -3.210 -15.203 1.00 0.00 C ATOM 379 C ASN A 24 -3.211 -3.319 -14.488 1.00 0.00 C ATOM 380 O ASN A 24 -3.359 -2.899 -13.340 1.00 0.00 O ATOM 381 CB ASN A 24 -1.380 -4.600 -15.599 1.00 0.00 C ATOM 382 CG ASN A 24 -0.799 -4.633 -16.999 1.00 0.00 C ATOM 383 OD1 ASN A 24 -1.529 -4.733 -17.985 1.00 0.00 O ATOM 384 ND2 ASN A 24 0.523 -4.550 -17.093 1.00 0.00 N ATOM 0 H ASN A 24 -0.078 -3.126 -14.126 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.015 -2.607 -16.099 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.624 -4.931 -14.887 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.208 -5.306 -15.536 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.971 -4.568 -18.009 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.090 -4.468 -16.249 1.00 0.00 H new ATOM 391 N ILE A 25 -4.181 -3.894 -15.183 1.00 0.00 N ATOM 392 CA ILE A 25 -5.520 -4.073 -14.638 1.00 0.00 C ATOM 393 C ILE A 25 -5.648 -5.415 -13.932 1.00 0.00 C ATOM 394 O ILE A 25 -6.396 -5.556 -12.969 1.00 0.00 O ATOM 395 CB ILE A 25 -6.585 -3.988 -15.748 1.00 0.00 C ATOM 396 CG1 ILE A 25 -7.992 -4.025 -15.147 1.00 0.00 C ATOM 397 CG2 ILE A 25 -6.402 -5.117 -16.753 1.00 0.00 C ATOM 398 CD1 ILE A 25 -8.950 -3.051 -15.794 1.00 0.00 C ATOM 0 H ILE A 25 -4.065 -4.247 -16.133 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.684 -3.270 -13.919 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.460 -3.040 -16.271 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.393 -5.034 -15.242 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.929 -3.807 -14.081 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.163 -5.040 -17.529 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.413 -5.044 -17.206 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.498 -6.076 -16.244 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.927 -3.132 -15.318 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.572 -2.036 -15.676 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.043 -3.282 -16.855 1.00 0.00 H new ATOM 410 N VAL A 26 -4.913 -6.398 -14.427 1.00 0.00 N ATOM 411 CA VAL A 26 -4.938 -7.741 -13.856 1.00 0.00 C ATOM 412 C VAL A 26 -4.724 -7.708 -12.345 1.00 0.00 C ATOM 413 O VAL A 26 -5.498 -8.291 -11.586 1.00 0.00 O ATOM 414 CB VAL A 26 -3.866 -8.644 -14.494 1.00 0.00 C ATOM 415 CG1 VAL A 26 -4.046 -10.086 -14.044 1.00 0.00 C ATOM 416 CG2 VAL A 26 -3.909 -8.539 -16.012 1.00 0.00 C ATOM 0 H VAL A 26 -4.288 -6.293 -15.226 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.925 -8.152 -14.069 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.886 -8.304 -14.160 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.280 -10.709 -14.505 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.956 -10.143 -12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.032 -10.441 -14.345 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.144 -9.185 -16.443 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.890 -8.850 -16.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.724 -7.507 -16.311 1.00 0.00 H new ATOM 426 N LYS A 27 -3.672 -7.020 -11.917 1.00 0.00 N ATOM 427 CA LYS A 27 -3.359 -6.909 -10.497 1.00 0.00 C ATOM 428 C LYS A 27 -4.130 -5.758 -9.861 1.00 0.00 C ATOM 429 O LYS A 27 -4.481 -5.807 -8.682 1.00 0.00 O ATOM 430 CB LYS A 27 -1.856 -6.703 -10.299 1.00 0.00 C ATOM 431 CG LYS A 27 -1.386 -6.981 -8.881 1.00 0.00 C ATOM 432 CD LYS A 27 -1.302 -8.473 -8.605 1.00 0.00 C ATOM 433 CE LYS A 27 -1.172 -8.758 -7.118 1.00 0.00 C ATOM 434 NZ LYS A 27 -0.183 -7.858 -6.462 1.00 0.00 N ATOM 0 H LYS A 27 -3.022 -6.531 -12.532 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.658 -7.837 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.315 -7.353 -10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.600 -5.677 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.408 -6.525 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.071 -6.517 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.192 -8.967 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.447 -8.894 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.144 -8.639 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.871 -9.795 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.350 -8.391 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.474 -7.485 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.682 -7.068 -6.005 1.00 0.00 H new ATOM 448 N ARG A 28 -4.384 -4.722 -10.652 1.00 0.00 N ATOM 449 CA ARG A 28 -5.106 -3.550 -10.175 1.00 0.00 C ATOM 450 C ARG A 28 -6.602 -3.827 -10.027 1.00 0.00 C ATOM 451 O ARG A 28 -7.302 -3.119 -9.306 1.00 0.00 O ATOM 452 CB ARG A 28 -4.888 -2.382 -11.129 1.00 0.00 C ATOM 453 CG ARG A 28 -5.423 -1.080 -10.596 1.00 0.00 C ATOM 454 CD ARG A 28 -6.750 -0.733 -11.221 1.00 0.00 C ATOM 455 NE ARG A 28 -6.598 -0.126 -12.541 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.541 0.601 -13.136 1.00 0.00 C ATOM 457 NH1 ARG A 28 -8.704 0.814 -12.533 1.00 0.00 N ATOM 458 NH2 ARG A 28 -7.320 1.116 -14.337 1.00 0.00 N ATOM 0 H ARG A 28 -4.099 -4.671 -11.630 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.715 -3.298 -9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.821 -2.276 -11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.369 -2.603 -12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.535 -1.147 -9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.707 -0.283 -10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.356 -1.635 -11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.289 -0.047 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.717 -0.268 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.879 0.420 -11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.423 1.372 -12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.428 0.955 -14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.042 1.673 -14.794 1.00 0.00 H new ATOM 472 N LYS A 29 -7.090 -4.853 -10.717 1.00 0.00 N ATOM 473 CA LYS A 29 -8.503 -5.216 -10.667 1.00 0.00 C ATOM 474 C LYS A 29 -9.019 -5.260 -9.232 1.00 0.00 C ATOM 475 O LYS A 29 -10.087 -4.727 -8.930 1.00 0.00 O ATOM 476 CB LYS A 29 -8.717 -6.568 -11.342 1.00 0.00 C ATOM 477 CG LYS A 29 -9.244 -6.453 -12.761 1.00 0.00 C ATOM 478 CD LYS A 29 -9.912 -7.739 -13.202 1.00 0.00 C ATOM 479 CE LYS A 29 -10.172 -7.750 -14.700 1.00 0.00 C ATOM 480 NZ LYS A 29 -11.618 -7.582 -15.014 1.00 0.00 N ATOM 0 H LYS A 29 -6.525 -5.451 -11.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.066 -4.450 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.773 -7.113 -11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.417 -7.156 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.957 -5.630 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.424 -6.215 -13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.281 -8.587 -12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.854 -7.862 -12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.602 -6.950 -15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.815 -8.689 -15.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.753 -7.595 -16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.159 -8.359 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.953 -6.674 -14.632 1.00 0.00 H new ATOM 494 N LEU A 30 -8.255 -5.894 -8.351 1.00 0.00 N ATOM 495 CA LEU A 30 -8.639 -6.002 -6.949 1.00 0.00 C ATOM 496 C LEU A 30 -7.899 -4.964 -6.113 1.00 0.00 C ATOM 497 O LEU A 30 -8.441 -4.422 -5.150 1.00 0.00 O ATOM 498 CB LEU A 30 -8.347 -7.412 -6.417 1.00 0.00 C ATOM 499 CG LEU A 30 -8.138 -8.488 -7.488 1.00 0.00 C ATOM 500 CD1 LEU A 30 -6.659 -8.638 -7.811 1.00 0.00 C ATOM 501 CD2 LEU A 30 -8.727 -9.817 -7.032 1.00 0.00 C ATOM 0 H LEU A 30 -7.367 -6.340 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.710 -5.815 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.456 -7.368 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.173 -7.718 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.657 -8.178 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.529 -9.406 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.269 -7.690 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.117 -8.926 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.569 -10.569 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.238 -10.135 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.796 -9.699 -6.853 1.00 0.00 H new ATOM 513 N ALA A 31 -6.657 -4.694 -6.494 1.00 0.00 N ATOM 514 CA ALA A 31 -5.829 -3.725 -5.790 1.00 0.00 C ATOM 515 C ALA A 31 -6.342 -2.299 -5.977 1.00 0.00 C ATOM 516 O ALA A 31 -5.934 -1.389 -5.256 1.00 0.00 O ATOM 517 CB ALA A 31 -4.388 -3.828 -6.266 1.00 0.00 C ATOM 0 H ALA A 31 -6.199 -5.136 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.878 -3.957 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.776 -3.100 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.011 -4.832 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.343 -3.627 -7.336 1.00 0.00 H new ATOM 523 N ALA A 32 -7.223 -2.100 -6.955 1.00 0.00 N ATOM 524 CA ALA A 32 -7.759 -0.770 -7.231 1.00 0.00 C ATOM 525 C ALA A 32 -8.413 -0.153 -5.997 1.00 0.00 C ATOM 526 O ALA A 32 -8.142 0.999 -5.665 1.00 0.00 O ATOM 527 CB ALA A 32 -8.757 -0.830 -8.376 1.00 0.00 C ATOM 0 H ALA A 32 -7.578 -2.836 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.922 -0.133 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.148 0.169 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.262 -1.206 -9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.578 -1.495 -8.109 1.00 0.00 H new ATOM 533 N HIS A 33 -9.265 -0.922 -5.315 1.00 0.00 N ATOM 534 CA HIS A 33 -9.946 -0.436 -4.110 1.00 0.00 C ATOM 535 C HIS A 33 -11.131 -1.323 -3.737 1.00 0.00 C ATOM 536 O HIS A 33 -11.290 -1.711 -2.580 1.00 0.00 O ATOM 537 CB HIS A 33 -10.442 1.001 -4.302 1.00 0.00 C ATOM 538 CG HIS A 33 -11.157 1.221 -5.599 1.00 0.00 C ATOM 539 ND1 HIS A 33 -10.691 1.590 -6.815 1.00 0.00 N flip ATOM 540 CD2 HIS A 33 -12.519 1.064 -5.744 1.00 0.00 C flip ATOM 541 CE1 HIS A 33 -11.769 1.648 -7.664 1.00 0.00 C flip ATOM 542 NE2 HIS A 33 -12.860 1.326 -6.994 1.00 0.00 N flip ATOM 0 H HIS A 33 -9.500 -1.880 -5.574 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.215 -0.465 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -11.110 1.258 -3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.591 1.680 -4.246 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.201 0.772 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.730 1.914 -8.710 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.805 1.286 -7.376 1.00 0.00 H new ATOM 551 N ASP A 34 -11.970 -1.618 -4.723 1.00 0.00 N ATOM 552 CA ASP A 34 -13.159 -2.435 -4.507 1.00 0.00 C ATOM 553 C ASP A 34 -12.823 -3.763 -3.840 1.00 0.00 C ATOM 554 O ASP A 34 -13.378 -4.097 -2.793 1.00 0.00 O ATOM 555 CB ASP A 34 -13.873 -2.688 -5.836 1.00 0.00 C ATOM 556 CG ASP A 34 -14.882 -1.606 -6.166 1.00 0.00 C ATOM 557 OD1 ASP A 34 -15.936 -1.553 -5.497 1.00 0.00 O ATOM 558 OD2 ASP A 34 -14.619 -0.810 -7.092 1.00 0.00 O ATOM 0 H ASP A 34 -11.848 -1.302 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.818 -1.883 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.135 -2.749 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.379 -3.653 -5.795 1.00 0.00 H new ATOM 563 N ASN A 35 -11.924 -4.524 -4.452 1.00 0.00 N ATOM 564 CA ASN A 35 -11.537 -5.817 -3.913 1.00 0.00 C ATOM 565 C ASN A 35 -10.095 -5.802 -3.419 1.00 0.00 C ATOM 566 O ASN A 35 -9.220 -6.442 -4.002 1.00 0.00 O ATOM 567 CB ASN A 35 -11.721 -6.913 -4.966 1.00 0.00 C ATOM 568 CG ASN A 35 -13.062 -6.821 -5.669 1.00 0.00 C ATOM 569 OD1 ASN A 35 -14.054 -7.392 -5.216 1.00 0.00 O ATOM 570 ND2 ASN A 35 -13.097 -6.100 -6.784 1.00 0.00 N ATOM 0 H ASN A 35 -11.452 -4.267 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.185 -6.030 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.922 -6.842 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.630 -7.889 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.971 -6.003 -7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.250 -5.644 -7.123 1.00 0.00 H new ATOM 577 N LEU A 36 -9.854 -5.070 -2.338 1.00 0.00 N ATOM 578 CA LEU A 36 -8.517 -4.978 -1.767 1.00 0.00 C ATOM 579 C LEU A 36 -8.555 -5.147 -0.252 1.00 0.00 C ATOM 580 O LEU A 36 -9.190 -4.365 0.456 1.00 0.00 O ATOM 581 CB LEU A 36 -7.878 -3.635 -2.127 1.00 0.00 C ATOM 582 CG LEU A 36 -6.497 -3.390 -1.518 1.00 0.00 C ATOM 583 CD1 LEU A 36 -5.443 -4.222 -2.233 1.00 0.00 C ATOM 584 CD2 LEU A 36 -6.144 -1.912 -1.579 1.00 0.00 C ATOM 0 H LEU A 36 -10.565 -4.533 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.915 -5.784 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.797 -3.568 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.546 -2.835 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.522 -3.695 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.467 -4.035 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.688 -5.280 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.418 -3.949 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.158 -1.755 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.137 -1.582 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.884 -1.338 -1.021 1.00 0.00 H new ATOM 596 N LYS A 37 -7.858 -6.166 0.237 1.00 0.00 N ATOM 597 CA LYS A 37 -7.794 -6.437 1.666 1.00 0.00 C ATOM 598 C LYS A 37 -6.369 -6.285 2.158 1.00 0.00 C ATOM 599 O LYS A 37 -5.475 -7.029 1.761 1.00 0.00 O ATOM 600 CB LYS A 37 -8.304 -7.846 1.977 1.00 0.00 C ATOM 601 CG LYS A 37 -9.228 -7.913 3.183 1.00 0.00 C ATOM 602 CD LYS A 37 -8.595 -7.297 4.424 1.00 0.00 C ATOM 603 CE LYS A 37 -9.639 -6.614 5.286 1.00 0.00 C ATOM 604 NZ LYS A 37 -10.837 -7.474 5.497 1.00 0.00 N ATOM 0 H LYS A 37 -7.328 -6.820 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.432 -5.718 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.832 -8.232 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.450 -8.502 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.159 -7.394 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.485 -8.953 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.091 -8.072 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.834 -6.575 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.202 -6.358 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.942 -5.679 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.244 -7.278 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.545 -7.270 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.560 -8.475 5.442 1.00 0.00 H new ATOM 618 N LEU A 38 -6.173 -5.316 3.028 1.00 0.00 N ATOM 619 CA LEU A 38 -4.870 -5.045 3.598 1.00 0.00 C ATOM 620 C LEU A 38 -4.878 -5.486 5.061 1.00 0.00 C ATOM 621 O LEU A 38 -5.735 -5.069 5.826 1.00 0.00 O ATOM 622 CB LEU A 38 -4.568 -3.543 3.447 1.00 0.00 C ATOM 623 CG LEU A 38 -3.087 -3.164 3.239 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.402 -4.130 2.279 1.00 0.00 C ATOM 625 CD2 LEU A 38 -2.959 -1.733 2.718 1.00 0.00 C ATOM 0 H LEU A 38 -6.911 -4.695 3.359 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.085 -5.598 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.141 -3.161 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.932 -3.029 4.337 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.592 -3.230 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.360 -3.838 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.449 -5.141 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.907 -4.103 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.906 -1.489 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.480 -1.645 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.399 -1.043 3.438 1.00 0.00 H new ATOM 637 N THR A 39 -3.962 -6.370 5.444 1.00 0.00 N ATOM 638 CA THR A 39 -3.941 -6.869 6.820 1.00 0.00 C ATOM 639 C THR A 39 -2.643 -6.524 7.539 1.00 0.00 C ATOM 640 O THR A 39 -1.596 -6.348 6.915 1.00 0.00 O ATOM 641 CB THR A 39 -4.165 -8.382 6.840 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.357 -8.722 6.155 1.00 0.00 O ATOM 643 CG2 THR A 39 -4.262 -8.953 8.239 1.00 0.00 C ATOM 0 H THR A 39 -3.237 -6.751 4.837 1.00 0.00 H new ATOM 0 HA THR A 39 -4.752 -6.374 7.354 1.00 0.00 H new ATOM 0 HB THR A 39 -3.291 -8.810 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.180 -8.766 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.421 -10.030 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.337 -8.751 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.098 -8.490 8.764 1.00 0.00 H new ATOM 651 N ILE A 40 -2.730 -6.432 8.865 1.00 0.00 N ATOM 652 CA ILE A 40 -1.579 -6.110 9.699 1.00 0.00 C ATOM 653 C ILE A 40 -1.470 -7.080 10.873 1.00 0.00 C ATOM 654 O ILE A 40 -2.379 -7.173 11.698 1.00 0.00 O ATOM 655 CB ILE A 40 -1.675 -4.672 10.250 1.00 0.00 C ATOM 656 CG1 ILE A 40 -1.917 -3.678 9.112 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.410 -4.308 11.016 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.372 -2.315 9.587 1.00 0.00 C ATOM 0 H ILE A 40 -3.595 -6.578 9.386 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.693 -6.196 9.070 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.520 -4.622 10.937 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.998 -3.565 8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.668 -4.088 8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.496 -3.290 11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.278 -4.998 11.849 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.450 -4.375 10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.524 -1.662 8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.308 -2.415 10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.612 -1.885 10.239 1.00 0.00 H new ATOM 670 N THR A 41 -0.354 -7.800 10.946 1.00 0.00 N ATOM 671 CA THR A 41 -0.133 -8.758 12.024 1.00 0.00 C ATOM 672 C THR A 41 0.979 -8.281 12.954 1.00 0.00 C ATOM 673 O THR A 41 1.601 -7.247 12.712 1.00 0.00 O ATOM 674 CB THR A 41 0.212 -10.134 11.455 1.00 0.00 C ATOM 675 OG1 THR A 41 -0.343 -10.294 10.162 1.00 0.00 O ATOM 676 CG2 THR A 41 -0.284 -11.278 12.312 1.00 0.00 C ATOM 0 H THR A 41 0.410 -7.738 10.273 1.00 0.00 H new ATOM 0 HA THR A 41 -1.055 -8.837 12.600 1.00 0.00 H new ATOM 0 HB THR A 41 1.301 -10.170 11.425 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.039 -9.624 9.557 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.006 -12.226 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.165 -11.211 13.303 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.369 -11.223 12.400 1.00 0.00 H new ATOM 684 N GLN A 42 1.217 -9.035 14.024 1.00 0.00 N ATOM 685 CA GLN A 42 2.248 -8.678 14.994 1.00 0.00 C ATOM 686 C GLN A 42 3.389 -9.691 14.994 1.00 0.00 C ATOM 687 O GLN A 42 3.175 -10.885 15.204 1.00 0.00 O ATOM 688 CB GLN A 42 1.641 -8.578 16.396 1.00 0.00 C ATOM 689 CG GLN A 42 2.002 -7.293 17.124 1.00 0.00 C ATOM 690 CD GLN A 42 3.225 -7.446 18.006 1.00 0.00 C ATOM 691 OE1 GLN A 42 3.903 -8.473 17.974 1.00 0.00 O ATOM 692 NE2 GLN A 42 3.513 -6.423 18.802 1.00 0.00 N ATOM 0 H GLN A 42 0.712 -9.894 14.241 1.00 0.00 H new ATOM 0 HA GLN A 42 2.656 -7.709 14.705 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.556 -8.650 16.319 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.976 -9.429 16.990 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.182 -6.504 16.393 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.156 -6.976 17.734 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.924 -5.591 18.796 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.324 -6.470 19.419 1.00 0.00 H new ATOM 701 N GLU A 43 4.603 -9.199 14.768 1.00 0.00 N ATOM 702 CA GLU A 43 5.790 -10.048 14.750 1.00 0.00 C ATOM 703 C GLU A 43 7.032 -9.238 15.101 1.00 0.00 C ATOM 704 O GLU A 43 7.696 -8.691 14.221 1.00 0.00 O ATOM 705 CB GLU A 43 5.971 -10.694 13.377 1.00 0.00 C ATOM 706 CG GLU A 43 4.907 -11.724 13.035 1.00 0.00 C ATOM 707 CD GLU A 43 4.979 -12.954 13.920 1.00 0.00 C ATOM 708 OE1 GLU A 43 4.723 -12.827 15.135 1.00 0.00 O ATOM 709 OE2 GLU A 43 5.291 -14.044 13.396 1.00 0.00 O ATOM 0 H GLU A 43 4.791 -8.212 14.594 1.00 0.00 H new ATOM 0 HA GLU A 43 5.653 -10.832 15.495 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.965 -9.914 12.616 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.950 -11.171 13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.921 -11.269 13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.019 -12.024 11.993 1.00 0.00 H new ATOM 716 N GLY A 44 7.338 -9.157 16.390 1.00 0.00 N ATOM 717 CA GLY A 44 8.499 -8.401 16.829 1.00 0.00 C ATOM 718 C GLY A 44 8.484 -6.978 16.299 1.00 0.00 C ATOM 719 O GLY A 44 7.435 -6.335 16.276 1.00 0.00 O ATOM 0 H GLY A 44 6.805 -9.600 17.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.529 -8.382 17.918 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.407 -8.903 16.494 1.00 0.00 H new ATOM 723 N ASN A 45 9.639 -6.483 15.856 1.00 0.00 N ATOM 724 CA ASN A 45 9.718 -5.130 15.312 1.00 0.00 C ATOM 725 C ASN A 45 9.177 -5.086 13.887 1.00 0.00 C ATOM 726 O ASN A 45 9.185 -4.035 13.247 1.00 0.00 O ATOM 727 CB ASN A 45 11.159 -4.603 15.319 1.00 0.00 C ATOM 728 CG ASN A 45 12.195 -5.692 15.107 1.00 0.00 C ATOM 729 OD1 ASN A 45 12.988 -5.993 15.999 1.00 0.00 O ATOM 730 ND2 ASN A 45 12.192 -6.289 13.921 1.00 0.00 N ATOM 0 H ASN A 45 10.523 -6.992 15.863 1.00 0.00 H new ATOM 0 HA ASN A 45 9.108 -4.493 15.953 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.268 -3.850 14.538 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.353 -4.106 16.270 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.865 -7.029 13.721 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.517 -6.008 13.210 1.00 0.00 H new ATOM 737 N LYS A 46 8.714 -6.230 13.387 1.00 0.00 N ATOM 738 CA LYS A 46 8.184 -6.297 12.034 1.00 0.00 C ATOM 739 C LYS A 46 6.689 -6.595 12.029 1.00 0.00 C ATOM 740 O LYS A 46 6.170 -7.278 12.911 1.00 0.00 O ATOM 741 CB LYS A 46 8.952 -7.346 11.210 1.00 0.00 C ATOM 742 CG LYS A 46 8.188 -8.641 10.951 1.00 0.00 C ATOM 743 CD LYS A 46 9.127 -9.809 10.686 1.00 0.00 C ATOM 744 CE LYS A 46 10.175 -9.468 9.637 1.00 0.00 C ATOM 745 NZ LYS A 46 11.494 -9.152 10.252 1.00 0.00 N ATOM 0 H LYS A 46 8.696 -7.114 13.896 1.00 0.00 H new ATOM 0 HA LYS A 46 8.322 -5.319 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.227 -6.905 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.880 -7.586 11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.558 -8.869 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.525 -8.507 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.622 -10.095 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.549 -10.672 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.287 -10.306 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.835 -8.616 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.844 -8.247 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.388 -9.082 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.173 -9.906 10.024 1.00 0.00 H new ATOM 759 N PHE A 47 6.011 -6.076 11.016 1.00 0.00 N ATOM 760 CA PHE A 47 4.578 -6.276 10.861 1.00 0.00 C ATOM 761 C PHE A 47 4.293 -7.207 9.688 1.00 0.00 C ATOM 762 O PHE A 47 4.839 -7.031 8.604 1.00 0.00 O ATOM 763 CB PHE A 47 3.890 -4.937 10.613 1.00 0.00 C ATOM 764 CG PHE A 47 4.161 -3.907 11.672 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.101 -4.238 13.016 1.00 0.00 C ATOM 766 CD2 PHE A 47 4.476 -2.605 11.321 1.00 0.00 C ATOM 767 CE1 PHE A 47 4.351 -3.287 13.989 1.00 0.00 C ATOM 768 CE2 PHE A 47 4.727 -1.652 12.288 1.00 0.00 C ATOM 769 CZ PHE A 47 4.664 -1.993 13.624 1.00 0.00 C ATOM 0 H PHE A 47 6.435 -5.508 10.283 1.00 0.00 H new ATOM 0 HA PHE A 47 4.193 -6.725 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.215 -4.546 9.649 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.814 -5.100 10.545 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.857 -5.249 13.307 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.526 -2.331 10.277 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.301 -3.557 15.034 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.972 -0.641 11.999 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.859 -1.249 14.382 1.00 0.00 H new ATOM 779 N THR A 48 3.430 -8.191 9.906 1.00 0.00 N ATOM 780 CA THR A 48 3.078 -9.136 8.851 1.00 0.00 C ATOM 781 C THR A 48 1.857 -8.648 8.082 1.00 0.00 C ATOM 782 O THR A 48 0.834 -8.308 8.677 1.00 0.00 O ATOM 783 CB THR A 48 2.805 -10.521 9.438 1.00 0.00 C ATOM 784 OG1 THR A 48 3.367 -10.637 10.734 1.00 0.00 O ATOM 785 CG2 THR A 48 3.361 -11.648 8.595 1.00 0.00 C ATOM 0 H THR A 48 2.963 -8.356 10.798 1.00 0.00 H new ATOM 0 HA THR A 48 3.921 -9.207 8.164 1.00 0.00 H new ATOM 0 HB THR A 48 1.719 -10.612 9.469 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.999 -11.428 11.181 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.133 -12.603 9.068 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.910 -11.617 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.442 -11.537 8.506 1.00 0.00 H new ATOM 793 N VAL A 49 1.969 -8.605 6.759 1.00 0.00 N ATOM 794 CA VAL A 49 0.869 -8.147 5.922 1.00 0.00 C ATOM 795 C VAL A 49 0.208 -9.300 5.183 1.00 0.00 C ATOM 796 O VAL A 49 0.863 -10.053 4.463 1.00 0.00 O ATOM 797 CB VAL A 49 1.331 -7.102 4.892 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.132 -6.420 4.249 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.250 -6.078 5.539 1.00 0.00 C ATOM 0 H VAL A 49 2.806 -8.880 6.246 1.00 0.00 H new ATOM 0 HA VAL A 49 0.146 -7.689 6.598 1.00 0.00 H new ATOM 0 HB VAL A 49 1.892 -7.615 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.478 -5.684 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.483 -7.165 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.459 -5.922 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.565 -5.349 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.718 -5.568 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.127 -6.582 5.946 1.00 0.00 H new ATOM 809 N LYS A 50 -1.100 -9.420 5.361 1.00 0.00 N ATOM 810 CA LYS A 50 -1.872 -10.468 4.707 1.00 0.00 C ATOM 811 C LYS A 50 -2.912 -9.854 3.777 1.00 0.00 C ATOM 812 O LYS A 50 -3.857 -9.208 4.228 1.00 0.00 O ATOM 813 CB LYS A 50 -2.557 -11.355 5.749 1.00 0.00 C ATOM 814 CG LYS A 50 -2.540 -12.833 5.395 1.00 0.00 C ATOM 815 CD LYS A 50 -2.977 -13.692 6.570 1.00 0.00 C ATOM 816 CE LYS A 50 -1.816 -13.986 7.507 1.00 0.00 C ATOM 817 NZ LYS A 50 -2.253 -14.746 8.711 1.00 0.00 N ATOM 0 H LYS A 50 -1.651 -8.801 5.956 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.192 -11.083 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.066 -11.215 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.591 -11.030 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.200 -13.013 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.536 -13.122 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.769 -13.183 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.395 -14.629 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.055 -14.556 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.354 -13.049 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.433 -14.926 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.961 -14.191 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.671 -15.652 8.417 1.00 0.00 H new ATOM 831 N GLU A 51 -2.729 -10.048 2.476 1.00 0.00 N ATOM 832 CA GLU A 51 -3.653 -9.501 1.492 1.00 0.00 C ATOM 833 C GLU A 51 -4.655 -10.555 1.034 1.00 0.00 C ATOM 834 O GLU A 51 -4.315 -11.728 0.886 1.00 0.00 O ATOM 835 CB GLU A 51 -2.886 -8.945 0.291 1.00 0.00 C ATOM 836 CG GLU A 51 -3.235 -7.503 -0.040 1.00 0.00 C ATOM 837 CD GLU A 51 -4.463 -7.389 -0.922 1.00 0.00 C ATOM 838 OE1 GLU A 51 -5.515 -7.951 -0.551 1.00 0.00 O ATOM 839 OE2 GLU A 51 -4.373 -6.736 -1.983 1.00 0.00 O ATOM 0 H GLU A 51 -1.952 -10.578 2.080 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.205 -8.689 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.817 -9.015 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.090 -9.568 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.404 -6.952 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.388 -7.033 -0.540 1.00 0.00 H new ATOM 846 N SER A 52 -5.892 -10.124 0.812 1.00 0.00 N ATOM 847 CA SER A 52 -6.947 -11.027 0.369 1.00 0.00 C ATOM 848 C SER A 52 -7.672 -10.460 -0.846 1.00 0.00 C ATOM 849 O SER A 52 -7.869 -9.248 -0.956 1.00 0.00 O ATOM 850 CB SER A 52 -7.944 -11.275 1.503 1.00 0.00 C ATOM 851 OG SER A 52 -7.406 -12.159 2.471 1.00 0.00 O ATOM 0 H SER A 52 -6.188 -9.155 0.932 1.00 0.00 H new ATOM 0 HA SER A 52 -6.487 -11.974 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.205 -10.328 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.865 -11.693 1.097 1.00 0.00 H new ATOM 0 HG SER A 52 -8.062 -12.300 3.186 1.00 0.00 H new ATOM 857 N SER A 53 -8.065 -11.344 -1.757 1.00 0.00 N ATOM 858 CA SER A 53 -8.768 -10.937 -2.967 1.00 0.00 C ATOM 859 C SER A 53 -9.763 -12.009 -3.402 1.00 0.00 C ATOM 860 O SER A 53 -9.910 -13.036 -2.740 1.00 0.00 O ATOM 861 CB SER A 53 -7.769 -10.658 -4.093 1.00 0.00 C ATOM 862 OG SER A 53 -7.648 -9.267 -4.336 1.00 0.00 O ATOM 0 H SER A 53 -7.908 -12.349 -1.679 1.00 0.00 H new ATOM 0 HA SER A 53 -9.320 -10.023 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.795 -11.070 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.093 -11.162 -5.003 1.00 0.00 H new ATOM 0 HG SER A 53 -6.744 -9.069 -4.659 1.00 0.00 H new ATOM 868 N ALA A 54 -10.444 -11.762 -4.515 1.00 0.00 N ATOM 869 CA ALA A 54 -11.426 -12.706 -5.035 1.00 0.00 C ATOM 870 C ALA A 54 -10.883 -13.477 -6.236 1.00 0.00 C ATOM 871 O ALA A 54 -11.432 -14.511 -6.618 1.00 0.00 O ATOM 872 CB ALA A 54 -12.707 -11.977 -5.412 1.00 0.00 C ATOM 0 H ALA A 54 -10.334 -10.916 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.643 -13.428 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.432 -12.693 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.118 -11.484 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.490 -11.231 -6.177 1.00 0.00 H new ATOM 878 N PHE A 55 -9.806 -12.971 -6.833 1.00 0.00 N ATOM 879 CA PHE A 55 -9.203 -13.620 -7.992 1.00 0.00 C ATOM 880 C PHE A 55 -7.838 -14.211 -7.649 1.00 0.00 C ATOM 881 O PHE A 55 -7.395 -15.173 -8.276 1.00 0.00 O ATOM 882 CB PHE A 55 -9.062 -12.622 -9.143 1.00 0.00 C ATOM 883 CG PHE A 55 -10.266 -12.565 -10.039 1.00 0.00 C ATOM 884 CD1 PHE A 55 -11.420 -11.916 -9.629 1.00 0.00 C ATOM 885 CD2 PHE A 55 -10.244 -13.160 -11.290 1.00 0.00 C ATOM 886 CE1 PHE A 55 -12.530 -11.862 -10.451 1.00 0.00 C ATOM 887 CE2 PHE A 55 -11.351 -13.109 -12.116 1.00 0.00 C ATOM 888 CZ PHE A 55 -12.495 -12.459 -11.696 1.00 0.00 C ATOM 0 H PHE A 55 -9.335 -12.117 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.860 -14.434 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.878 -11.629 -8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.188 -12.888 -9.738 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.452 -11.447 -8.657 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.352 -13.669 -11.623 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.424 -11.354 -10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.321 -13.577 -13.089 1.00 0.00 H new ATOM 0 HZ PHE A 55 -13.361 -12.418 -12.340 1.00 0.00 H new ATOM 898 N ARG A 56 -7.174 -13.633 -6.652 1.00 0.00 N ATOM 899 CA ARG A 56 -5.860 -14.109 -6.236 1.00 0.00 C ATOM 900 C ARG A 56 -5.550 -13.681 -4.804 1.00 0.00 C ATOM 901 O ARG A 56 -6.435 -13.236 -4.073 1.00 0.00 O ATOM 902 CB ARG A 56 -4.781 -13.584 -7.188 1.00 0.00 C ATOM 903 CG ARG A 56 -3.947 -14.684 -7.826 1.00 0.00 C ATOM 904 CD ARG A 56 -2.475 -14.551 -7.467 1.00 0.00 C ATOM 905 NE ARG A 56 -1.856 -15.848 -7.205 1.00 0.00 N ATOM 906 CZ ARG A 56 -0.710 -16.004 -6.545 1.00 0.00 C ATOM 907 NH1 ARG A 56 -0.057 -14.947 -6.078 1.00 0.00 N ATOM 908 NH2 ARG A 56 -0.218 -17.219 -6.350 1.00 0.00 N ATOM 0 H ARG A 56 -7.524 -12.837 -6.119 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.867 -15.198 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.256 -12.997 -7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.122 -12.910 -6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.315 -15.656 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.063 -14.647 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.947 -14.055 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.372 -13.916 -6.587 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.330 -16.684 -7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.433 -14.010 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.820 -15.072 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.717 -18.034 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.660 -17.339 -5.844 1.00 0.00 H new ATOM 922 N ASN A 57 -4.287 -13.819 -4.410 1.00 0.00 N ATOM 923 CA ASN A 57 -3.860 -13.447 -3.066 1.00 0.00 C ATOM 924 C ASN A 57 -2.551 -12.664 -3.108 1.00 0.00 C ATOM 925 O ASN A 57 -1.803 -12.735 -4.083 1.00 0.00 O ATOM 926 CB ASN A 57 -3.693 -14.696 -2.198 1.00 0.00 C ATOM 927 CG ASN A 57 -4.962 -15.054 -1.451 1.00 0.00 C ATOM 928 OD1 ASN A 57 -5.476 -14.263 -0.661 1.00 0.00 O ATOM 929 ND2 ASN A 57 -5.475 -16.254 -1.697 1.00 0.00 N ATOM 0 H ASN A 57 -3.542 -14.186 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.630 -12.810 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.396 -15.535 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.887 -14.533 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.328 -16.551 -1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.016 -16.879 -2.360 1.00 0.00 H new ATOM 936 N ILE A 58 -2.283 -11.916 -2.042 1.00 0.00 N ATOM 937 CA ILE A 58 -1.065 -11.115 -1.953 1.00 0.00 C ATOM 938 C ILE A 58 -0.620 -10.968 -0.505 1.00 0.00 C ATOM 939 O ILE A 58 -1.398 -11.200 0.420 1.00 0.00 O ATOM 940 CB ILE A 58 -1.254 -9.710 -2.570 1.00 0.00 C ATOM 941 CG1 ILE A 58 -2.299 -9.743 -3.690 1.00 0.00 C ATOM 942 CG2 ILE A 58 0.073 -9.184 -3.096 1.00 0.00 C ATOM 943 CD1 ILE A 58 -2.659 -8.373 -4.226 1.00 0.00 C ATOM 0 H ILE A 58 -2.893 -11.847 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.298 -11.643 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.613 -9.038 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.922 -10.356 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.202 -10.227 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.074 -8.194 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.789 -9.120 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.455 -9.860 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.404 -8.475 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.066 -7.762 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.767 -7.894 -4.629 1.00 0.00 H new ATOM 955 N GLU A 59 0.638 -10.587 -0.311 1.00 0.00 N ATOM 956 CA GLU A 59 1.177 -10.415 1.031 1.00 0.00 C ATOM 957 C GLU A 59 2.603 -9.874 0.992 1.00 0.00 C ATOM 958 O GLU A 59 3.226 -9.811 -0.068 1.00 0.00 O ATOM 959 CB GLU A 59 1.143 -11.742 1.791 1.00 0.00 C ATOM 960 CG GLU A 59 1.882 -12.867 1.084 1.00 0.00 C ATOM 961 CD GLU A 59 2.061 -14.089 1.962 1.00 0.00 C ATOM 962 OE1 GLU A 59 1.076 -14.833 2.153 1.00 0.00 O ATOM 963 OE2 GLU A 59 3.186 -14.303 2.459 1.00 0.00 O ATOM 0 H GLU A 59 1.300 -10.393 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 59 0.552 -9.688 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.579 -11.597 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.105 -12.039 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.334 -13.148 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.860 -12.509 0.763 1.00 0.00 H new ATOM 970 N VAL A 60 3.111 -9.487 2.158 1.00 0.00 N ATOM 971 CA VAL A 60 4.462 -8.951 2.270 1.00 0.00 C ATOM 972 C VAL A 60 4.768 -8.544 3.710 1.00 0.00 C ATOM 973 O VAL A 60 4.034 -7.763 4.312 1.00 0.00 O ATOM 974 CB VAL A 60 4.665 -7.734 1.337 1.00 0.00 C ATOM 975 CG1 VAL A 60 3.586 -6.685 1.571 1.00 0.00 C ATOM 976 CG2 VAL A 60 6.053 -7.132 1.520 1.00 0.00 C ATOM 0 H VAL A 60 2.604 -9.535 3.042 1.00 0.00 H new ATOM 0 HA VAL A 60 5.148 -9.742 1.967 1.00 0.00 H new ATOM 0 HB VAL A 60 4.582 -8.083 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.750 -5.839 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.607 -7.120 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.628 -6.344 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.170 -6.278 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.174 -6.805 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.809 -7.882 1.286 1.00 0.00 H new ATOM 986 N VAL A 61 5.856 -9.072 4.259 1.00 0.00 N ATOM 987 CA VAL A 61 6.244 -8.745 5.625 1.00 0.00 C ATOM 988 C VAL A 61 6.845 -7.347 5.683 1.00 0.00 C ATOM 989 O VAL A 61 7.569 -6.933 4.778 1.00 0.00 O ATOM 990 CB VAL A 61 7.247 -9.776 6.197 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.328 -9.107 7.038 1.00 0.00 C ATOM 992 CG2 VAL A 61 6.517 -10.830 7.015 1.00 0.00 C ATOM 0 H VAL A 61 6.480 -9.723 3.783 1.00 0.00 H new ATOM 0 HA VAL A 61 5.344 -8.777 6.239 1.00 0.00 H new ATOM 0 HB VAL A 61 7.738 -10.259 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.012 -9.864 7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.881 -8.397 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.866 -8.580 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.237 -11.547 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.992 -10.350 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.798 -11.349 6.381 1.00 0.00 H new ATOM 1002 N PHE A 62 6.544 -6.634 6.757 1.00 0.00 N ATOM 1003 CA PHE A 62 7.051 -5.283 6.949 1.00 0.00 C ATOM 1004 C PHE A 62 7.833 -5.188 8.238 1.00 0.00 C ATOM 1005 O PHE A 62 7.607 -5.946 9.175 1.00 0.00 O ATOM 1006 CB PHE A 62 5.902 -4.266 6.982 1.00 0.00 C ATOM 1007 CG PHE A 62 5.103 -4.164 5.709 1.00 0.00 C ATOM 1008 CD1 PHE A 62 5.595 -4.656 4.511 1.00 0.00 C ATOM 1009 CD2 PHE A 62 3.853 -3.562 5.717 1.00 0.00 C ATOM 1010 CE1 PHE A 62 4.857 -4.552 3.348 1.00 0.00 C ATOM 1011 CE2 PHE A 62 3.111 -3.455 4.556 1.00 0.00 C ATOM 1012 CZ PHE A 62 3.613 -3.951 3.370 1.00 0.00 C ATOM 0 H PHE A 62 5.948 -6.970 7.513 1.00 0.00 H new ATOM 0 HA PHE A 62 7.706 -5.054 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.227 -4.530 7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.313 -3.284 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.567 -5.126 4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.455 -3.172 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.252 -4.941 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.139 -2.984 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.035 -3.870 2.461 1.00 0.00 H new ATOM 1022 N GLU A 63 8.750 -4.245 8.271 1.00 0.00 N ATOM 1023 CA GLU A 63 9.572 -4.026 9.439 1.00 0.00 C ATOM 1024 C GLU A 63 9.958 -2.563 9.528 1.00 0.00 C ATOM 1025 O GLU A 63 10.004 -1.854 8.519 1.00 0.00 O ATOM 1026 CB GLU A 63 10.814 -4.914 9.390 1.00 0.00 C ATOM 1027 CG GLU A 63 11.359 -5.281 10.761 1.00 0.00 C ATOM 1028 CD GLU A 63 12.838 -4.977 10.902 1.00 0.00 C ATOM 1029 OE1 GLU A 63 13.184 -3.796 11.117 1.00 0.00 O ATOM 1030 OE2 GLU A 63 13.650 -5.920 10.798 1.00 0.00 O ATOM 0 H GLU A 63 8.945 -3.613 7.494 1.00 0.00 H new ATOM 0 HA GLU A 63 9.003 -4.291 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.574 -5.829 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.593 -4.403 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.805 -4.736 11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.191 -6.343 10.942 1.00 0.00 H new ATOM 1037 N LEU A 64 10.233 -2.106 10.729 1.00 0.00 N ATOM 1038 CA LEU A 64 10.613 -0.727 10.913 1.00 0.00 C ATOM 1039 C LEU A 64 12.092 -0.558 10.601 1.00 0.00 C ATOM 1040 O LEU A 64 12.953 -0.859 11.428 1.00 0.00 O ATOM 1041 CB LEU A 64 10.290 -0.302 12.336 1.00 0.00 C ATOM 1042 CG LEU A 64 8.841 -0.558 12.759 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.600 -0.019 14.156 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.874 0.076 11.771 1.00 0.00 C ATOM 0 H LEU A 64 10.201 -2.663 11.583 1.00 0.00 H new ATOM 0 HA LEU A 64 10.052 -0.088 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.954 -0.831 13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.504 0.761 12.442 1.00 0.00 H new ATOM 0 HG LEU A 64 8.667 -1.634 12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.566 -0.207 14.445 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.269 -0.516 14.858 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.791 1.054 14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.850 -0.117 12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.045 1.152 11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.033 -0.351 10.781 1.00 0.00 H new ATOM 1056 N GLY A 65 12.379 -0.085 9.391 1.00 0.00 N ATOM 1057 CA GLY A 65 13.755 0.103 8.980 1.00 0.00 C ATOM 1058 C GLY A 65 14.189 -0.857 7.893 1.00 0.00 C ATOM 1059 O GLY A 65 15.374 -1.158 7.755 1.00 0.00 O ATOM 0 H GLY A 65 11.683 0.170 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.885 1.126 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.406 -0.020 9.846 1.00 0.00 H new ATOM 1063 N VAL A 66 13.227 -1.344 7.131 1.00 0.00 N ATOM 1064 CA VAL A 66 13.499 -2.287 6.054 1.00 0.00 C ATOM 1065 C VAL A 66 12.999 -1.737 4.730 1.00 0.00 C ATOM 1066 O VAL A 66 12.166 -0.831 4.693 1.00 0.00 O ATOM 1067 CB VAL A 66 12.805 -3.627 6.345 1.00 0.00 C ATOM 1068 CG1 VAL A 66 11.426 -3.340 6.876 1.00 0.00 C ATOM 1069 CG2 VAL A 66 12.750 -4.523 5.114 1.00 0.00 C ATOM 0 H VAL A 66 12.242 -1.102 7.237 1.00 0.00 H new ATOM 0 HA VAL A 66 14.576 -2.440 5.991 1.00 0.00 H new ATOM 0 HB VAL A 66 13.383 -4.175 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.915 -4.279 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.503 -2.753 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.859 -2.780 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.251 -5.459 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.196 -4.019 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.763 -4.733 4.771 1.00 0.00 H new ATOM 1079 N THR A 67 13.511 -2.293 3.647 1.00 0.00 N ATOM 1080 CA THR A 67 13.118 -1.866 2.322 1.00 0.00 C ATOM 1081 C THR A 67 11.881 -2.633 1.856 1.00 0.00 C ATOM 1082 O THR A 67 11.719 -3.817 2.152 1.00 0.00 O ATOM 1083 CB THR A 67 14.286 -2.058 1.356 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.210 -0.990 1.476 1.00 0.00 O ATOM 1085 CG2 THR A 67 13.874 -2.140 -0.100 1.00 0.00 C ATOM 0 H THR A 67 14.202 -3.043 3.662 1.00 0.00 H new ATOM 0 HA THR A 67 12.858 -0.808 2.346 1.00 0.00 H new ATOM 0 HB THR A 67 14.731 -3.012 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.953 -1.128 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.759 -2.276 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.199 -2.984 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.367 -1.219 -0.387 1.00 0.00 H new ATOM 1093 N PHE A 68 11.011 -1.939 1.133 1.00 0.00 N ATOM 1094 CA PHE A 68 9.781 -2.529 0.625 1.00 0.00 C ATOM 1095 C PHE A 68 10.040 -3.298 -0.663 1.00 0.00 C ATOM 1096 O PHE A 68 11.007 -3.030 -1.376 1.00 0.00 O ATOM 1097 CB PHE A 68 8.738 -1.432 0.381 1.00 0.00 C ATOM 1098 CG PHE A 68 7.549 -1.488 1.303 1.00 0.00 C ATOM 1099 CD1 PHE A 68 7.654 -2.030 2.574 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.320 -0.998 0.891 1.00 0.00 C ATOM 1101 CE1 PHE A 68 6.558 -2.084 3.411 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.221 -1.050 1.722 1.00 0.00 C ATOM 1103 CZ PHE A 68 5.339 -1.595 2.983 1.00 0.00 C ATOM 0 H PHE A 68 11.137 -0.958 0.884 1.00 0.00 H new ATOM 0 HA PHE A 68 9.401 -3.228 1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.219 -0.460 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.388 -1.503 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.604 -2.415 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.222 -0.569 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.653 -2.508 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.270 -0.665 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.479 -1.640 3.635 1.00 0.00 H new ATOM 1113 N ASN A 69 9.168 -4.254 -0.953 1.00 0.00 N ATOM 1114 CA ASN A 69 9.297 -5.069 -2.154 1.00 0.00 C ATOM 1115 C ASN A 69 7.932 -5.374 -2.761 1.00 0.00 C ATOM 1116 O ASN A 69 7.085 -6.006 -2.129 1.00 0.00 O ATOM 1117 CB ASN A 69 10.027 -6.374 -1.833 1.00 0.00 C ATOM 1118 CG ASN A 69 9.430 -7.091 -0.637 1.00 0.00 C ATOM 1119 OD1 ASN A 69 8.567 -7.956 -0.785 1.00 0.00 O ATOM 1120 ND2 ASN A 69 9.889 -6.734 0.556 1.00 0.00 N ATOM 0 H ASN A 69 8.362 -4.485 -0.372 1.00 0.00 H new ATOM 0 HA ASN A 69 9.877 -4.503 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.991 -7.031 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.078 -6.161 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.526 -7.182 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.605 -6.012 0.632 1.00 0.00 H new ATOM 1127 N TYR A 70 7.730 -4.924 -3.994 1.00 0.00 N ATOM 1128 CA TYR A 70 6.474 -5.148 -4.699 1.00 0.00 C ATOM 1129 C TYR A 70 6.689 -5.052 -6.206 1.00 0.00 C ATOM 1130 O TYR A 70 6.165 -4.156 -6.867 1.00 0.00 O ATOM 1131 CB TYR A 70 5.417 -4.138 -4.242 1.00 0.00 C ATOM 1132 CG TYR A 70 4.123 -4.778 -3.793 1.00 0.00 C ATOM 1133 CD1 TYR A 70 3.473 -5.712 -4.591 1.00 0.00 C ATOM 1134 CD2 TYR A 70 3.551 -4.449 -2.570 1.00 0.00 C ATOM 1135 CE1 TYR A 70 2.290 -6.299 -4.183 1.00 0.00 C ATOM 1136 CE2 TYR A 70 2.369 -5.032 -2.155 1.00 0.00 C ATOM 1137 CZ TYR A 70 1.743 -5.956 -2.965 1.00 0.00 C ATOM 1138 OH TYR A 70 0.565 -6.538 -2.555 1.00 0.00 O ATOM 0 H TYR A 70 8.423 -4.400 -4.528 1.00 0.00 H new ATOM 0 HA TYR A 70 6.116 -6.150 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.823 -3.545 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.207 -3.449 -5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.899 -5.984 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.038 -3.726 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.797 -7.023 -4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.938 -4.765 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.169 -6.229 -3.126 1.00 0.00 H new ATOM 1148 N ASN A 71 7.474 -5.980 -6.740 1.00 0.00 N ATOM 1149 CA ASN A 71 7.772 -6.002 -8.167 1.00 0.00 C ATOM 1150 C ASN A 71 6.736 -6.823 -8.927 1.00 0.00 C ATOM 1151 O ASN A 71 6.063 -6.314 -9.823 1.00 0.00 O ATOM 1152 CB ASN A 71 9.174 -6.572 -8.422 1.00 0.00 C ATOM 1153 CG ASN A 71 10.096 -6.435 -7.223 1.00 0.00 C ATOM 1154 OD1 ASN A 71 10.038 -7.232 -6.287 1.00 0.00 O ATOM 1155 ND2 ASN A 71 10.953 -5.421 -7.245 1.00 0.00 N ATOM 0 H ASN A 71 7.916 -6.728 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 71 7.738 -4.974 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.089 -7.625 -8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.619 -6.061 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.596 -5.280 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.968 -4.783 -8.041 1.00 0.00 H new ATOM 1162 N LEU A 72 6.616 -8.096 -8.566 1.00 0.00 N ATOM 1163 CA LEU A 72 5.665 -8.988 -9.217 1.00 0.00 C ATOM 1164 C LEU A 72 6.017 -9.166 -10.690 1.00 0.00 C ATOM 1165 O LEU A 72 6.067 -8.197 -11.449 1.00 0.00 O ATOM 1166 CB LEU A 72 4.242 -8.443 -9.082 1.00 0.00 C ATOM 1167 CG LEU A 72 3.132 -9.471 -9.309 1.00 0.00 C ATOM 1168 CD1 LEU A 72 1.937 -9.173 -8.416 1.00 0.00 C ATOM 1169 CD2 LEU A 72 2.715 -9.489 -10.772 1.00 0.00 C ATOM 0 H LEU A 72 7.166 -8.533 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 72 5.718 -9.959 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.125 -8.018 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.112 -7.627 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 72 3.517 -10.457 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.158 -9.915 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.245 -9.211 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.551 -8.180 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.925 -10.226 -10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.349 -8.503 -11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.573 -9.751 -11.392 1.00 0.00 H new ATOM 1181 N ALA A 73 6.262 -10.412 -11.087 1.00 0.00 N ATOM 1182 CA ALA A 73 6.614 -10.723 -12.468 1.00 0.00 C ATOM 1183 C ALA A 73 5.590 -10.152 -13.444 1.00 0.00 C ATOM 1184 O ALA A 73 4.383 -10.286 -13.242 1.00 0.00 O ATOM 1185 CB ALA A 73 6.738 -12.228 -12.653 1.00 0.00 C ATOM 0 H ALA A 73 6.223 -11.223 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 73 7.576 -10.258 -12.683 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.001 -12.447 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.514 -12.613 -11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.787 -12.704 -12.412 1.00 0.00 H new ATOM 1191 N ASP A 74 6.081 -9.515 -14.501 1.00 0.00 N ATOM 1192 CA ASP A 74 5.212 -8.922 -15.510 1.00 0.00 C ATOM 1193 C ASP A 74 4.322 -7.843 -14.900 1.00 0.00 C ATOM 1194 O ASP A 74 3.223 -7.584 -15.388 1.00 0.00 O ATOM 1195 CB ASP A 74 4.347 -10.001 -16.166 1.00 0.00 C ATOM 1196 CG ASP A 74 4.116 -9.739 -17.641 1.00 0.00 C ATOM 1197 OD1 ASP A 74 4.957 -9.054 -18.261 1.00 0.00 O ATOM 1198 OD2 ASP A 74 3.095 -10.219 -18.176 1.00 0.00 O ATOM 0 H ASP A 74 7.078 -9.396 -14.681 1.00 0.00 H new ATOM 0 HA ASP A 74 5.843 -8.459 -16.268 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.827 -10.972 -16.043 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.386 -10.053 -15.654 1.00 0.00 H new ATOM 1203 N GLY A 75 4.805 -7.216 -13.831 1.00 0.00 N ATOM 1204 CA GLY A 75 4.039 -6.173 -13.178 1.00 0.00 C ATOM 1205 C GLY A 75 4.829 -4.891 -13.024 1.00 0.00 C ATOM 1206 O GLY A 75 4.678 -3.962 -13.818 1.00 0.00 O ATOM 0 H GLY A 75 5.712 -7.412 -13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.136 -5.974 -13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.720 -6.521 -12.196 1.00 0.00 H new ATOM 1210 N THR A 76 5.665 -4.834 -11.995 1.00 0.00 N ATOM 1211 CA THR A 76 6.469 -3.652 -11.736 1.00 0.00 C ATOM 1212 C THR A 76 7.700 -3.993 -10.899 1.00 0.00 C ATOM 1213 O THR A 76 8.056 -5.161 -10.745 1.00 0.00 O ATOM 1214 CB THR A 76 5.615 -2.613 -11.018 1.00 0.00 C ATOM 1215 OG1 THR A 76 6.300 -1.378 -10.911 1.00 0.00 O ATOM 1216 CG2 THR A 76 5.206 -3.041 -9.625 1.00 0.00 C ATOM 0 H THR A 76 5.802 -5.593 -11.328 1.00 0.00 H new ATOM 0 HA THR A 76 6.817 -3.250 -12.687 1.00 0.00 H new ATOM 0 HB THR A 76 4.717 -2.506 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.658 -0.664 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.600 -2.259 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.626 -3.962 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.097 -3.211 -9.020 1.00 0.00 H new ATOM 1224 N GLU A 77 8.340 -2.961 -10.358 1.00 0.00 N ATOM 1225 CA GLU A 77 9.529 -3.135 -9.530 1.00 0.00 C ATOM 1226 C GLU A 77 9.686 -1.950 -8.583 1.00 0.00 C ATOM 1227 O GLU A 77 10.528 -1.078 -8.799 1.00 0.00 O ATOM 1228 CB GLU A 77 10.775 -3.271 -10.409 1.00 0.00 C ATOM 1229 CG GLU A 77 11.146 -4.711 -10.727 1.00 0.00 C ATOM 1230 CD GLU A 77 12.116 -4.820 -11.887 1.00 0.00 C ATOM 1231 OE1 GLU A 77 12.013 -4.003 -12.826 1.00 0.00 O ATOM 1232 OE2 GLU A 77 12.979 -5.723 -11.856 1.00 0.00 O ATOM 0 H GLU A 77 8.053 -1.990 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 77 9.414 -4.046 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.610 -2.733 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.616 -2.791 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.588 -5.172 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.241 -5.272 -10.961 1.00 0.00 H new ATOM 1239 N LEU A 78 8.862 -1.915 -7.540 1.00 0.00 N ATOM 1240 CA LEU A 78 8.901 -0.828 -6.573 1.00 0.00 C ATOM 1241 C LEU A 78 9.608 -1.252 -5.287 1.00 0.00 C ATOM 1242 O LEU A 78 9.168 -2.170 -4.594 1.00 0.00 O ATOM 1243 CB LEU A 78 7.477 -0.353 -6.274 1.00 0.00 C ATOM 1244 CG LEU A 78 6.942 0.712 -7.238 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.642 0.259 -7.880 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.735 2.038 -6.539 1.00 0.00 C ATOM 0 H LEU A 78 8.160 -2.628 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 78 9.471 -0.004 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.809 -1.214 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.447 0.046 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 78 7.692 0.848 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.283 1.032 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.813 -0.663 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.896 0.082 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.355 2.770 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.016 1.914 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.684 2.387 -6.132 1.00 0.00 H new ATOM 1258 N ARG A 79 10.711 -0.574 -4.983 1.00 0.00 N ATOM 1259 CA ARG A 79 11.498 -0.863 -3.787 1.00 0.00 C ATOM 1260 C ARG A 79 11.674 0.393 -2.933 1.00 0.00 C ATOM 1261 O ARG A 79 12.272 1.366 -3.377 1.00 0.00 O ATOM 1262 CB ARG A 79 12.871 -1.398 -4.194 1.00 0.00 C ATOM 1263 CG ARG A 79 13.370 -2.534 -3.318 1.00 0.00 C ATOM 1264 CD ARG A 79 14.884 -2.512 -3.183 1.00 0.00 C ATOM 1265 NE ARG A 79 15.381 -1.197 -2.785 1.00 0.00 N ATOM 1266 CZ ARG A 79 16.661 -0.839 -2.845 1.00 0.00 C ATOM 1267 NH1 ARG A 79 17.577 -1.693 -3.286 1.00 0.00 N ATOM 1268 NH2 ARG A 79 17.028 0.377 -2.464 1.00 0.00 N ATOM 0 H ARG A 79 11.083 0.186 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 79 10.968 -1.611 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.825 -1.742 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.593 -0.582 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.915 -2.460 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.056 -3.487 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.193 -3.254 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.336 -2.798 -4.133 1.00 0.00 H new ATOM 0 HE ARG A 79 14.707 -0.513 -2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.301 -2.630 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.557 -1.413 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.329 1.038 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.009 0.651 -2.510 1.00 0.00 H new ATOM 1282 N GLY A 80 11.160 0.372 -1.708 1.00 0.00 N ATOM 1283 CA GLY A 80 11.294 1.532 -0.838 1.00 0.00 C ATOM 1284 C GLY A 80 11.530 1.152 0.610 1.00 0.00 C ATOM 1285 O GLY A 80 12.443 0.387 0.906 1.00 0.00 O ATOM 0 H GLY A 80 10.657 -0.418 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.122 2.149 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.392 2.140 -0.908 1.00 0.00 H new ATOM 1289 N THR A 81 10.700 1.675 1.515 1.00 0.00 N ATOM 1290 CA THR A 81 10.823 1.365 2.941 1.00 0.00 C ATOM 1291 C THR A 81 9.508 1.605 3.679 1.00 0.00 C ATOM 1292 O THR A 81 8.536 2.094 3.106 1.00 0.00 O ATOM 1293 CB THR A 81 11.932 2.196 3.593 1.00 0.00 C ATOM 1294 OG1 THR A 81 11.816 3.561 3.232 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.327 1.739 3.224 1.00 0.00 C ATOM 0 H THR A 81 9.938 2.313 1.287 1.00 0.00 H new ATOM 0 HA THR A 81 11.079 0.308 3.016 1.00 0.00 H new ATOM 0 HB THR A 81 11.798 2.058 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.532 4.075 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.061 2.373 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.467 0.705 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.459 1.810 2.144 1.00 0.00 H new ATOM 1303 N TRP A 82 9.498 1.259 4.962 1.00 0.00 N ATOM 1304 CA TRP A 82 8.323 1.430 5.814 1.00 0.00 C ATOM 1305 C TRP A 82 8.769 1.773 7.233 1.00 0.00 C ATOM 1306 O TRP A 82 9.601 1.074 7.812 1.00 0.00 O ATOM 1307 CB TRP A 82 7.488 0.146 5.829 1.00 0.00 C ATOM 1308 CG TRP A 82 6.032 0.373 5.558 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.486 0.904 4.429 1.00 0.00 C ATOM 1310 CD2 TRP A 82 4.937 0.071 6.432 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.118 0.953 4.543 1.00 0.00 N ATOM 1312 CE2 TRP A 82 3.757 0.448 5.763 1.00 0.00 C ATOM 1313 CE3 TRP A 82 4.838 -0.480 7.713 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 2.495 0.291 6.332 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 3.585 -0.635 8.276 1.00 0.00 C ATOM 1316 CH2 TRP A 82 2.429 -0.251 7.586 1.00 0.00 C ATOM 0 H TRP A 82 10.302 0.853 5.441 1.00 0.00 H new ATOM 0 HA TRP A 82 7.711 2.241 5.418 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.884 -0.544 5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.597 -0.337 6.800 1.00 0.00 H new ATOM 0 HD1 TRP A 82 6.047 1.238 3.569 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.476 1.308 3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.724 -0.779 8.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.601 0.586 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.496 -1.060 9.265 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.465 -0.386 8.054 1.00 0.00 H new ATOM 1327 N SER A 83 8.227 2.849 7.791 1.00 0.00 N ATOM 1328 CA SER A 83 8.596 3.263 9.138 1.00 0.00 C ATOM 1329 C SER A 83 7.378 3.711 9.933 1.00 0.00 C ATOM 1330 O SER A 83 6.413 4.229 9.373 1.00 0.00 O ATOM 1331 CB SER A 83 9.623 4.395 9.080 1.00 0.00 C ATOM 1332 OG SER A 83 10.915 3.897 8.780 1.00 0.00 O ATOM 0 H SER A 83 7.536 3.446 7.336 1.00 0.00 H new ATOM 0 HA SER A 83 9.034 2.402 9.643 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.325 5.122 8.324 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.645 4.920 10.035 1.00 0.00 H new ATOM 0 HG SER A 83 10.844 2.971 8.468 1.00 0.00 H new ATOM 1338 N LEU A 84 7.434 3.511 11.244 1.00 0.00 N ATOM 1339 CA LEU A 84 6.341 3.898 12.125 1.00 0.00 C ATOM 1340 C LEU A 84 6.826 4.882 13.180 1.00 0.00 C ATOM 1341 O LEU A 84 7.778 4.609 13.911 1.00 0.00 O ATOM 1342 CB LEU A 84 5.735 2.666 12.795 1.00 0.00 C ATOM 1343 CG LEU A 84 4.215 2.702 12.965 1.00 0.00 C ATOM 1344 CD1 LEU A 84 3.608 1.346 12.640 1.00 0.00 C ATOM 1345 CD2 LEU A 84 3.847 3.129 14.378 1.00 0.00 C ATOM 0 H LEU A 84 8.227 3.082 11.721 1.00 0.00 H new ATOM 0 HA LEU A 84 5.573 4.384 11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.999 1.786 12.209 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.192 2.544 13.777 1.00 0.00 H new ATOM 0 HG LEU A 84 3.808 3.434 12.268 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.526 1.392 12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.842 1.080 11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.020 0.593 13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.762 3.149 14.481 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.266 2.421 15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.249 4.123 14.574 1.00 0.00 H new ATOM 1357 N GLU A 85 6.165 6.027 13.250 1.00 0.00 N ATOM 1358 CA GLU A 85 6.524 7.061 14.212 1.00 0.00 C ATOM 1359 C GLU A 85 5.412 7.256 15.236 1.00 0.00 C ATOM 1360 O GLU A 85 4.463 8.005 15.001 1.00 0.00 O ATOM 1361 CB GLU A 85 6.807 8.379 13.488 1.00 0.00 C ATOM 1362 CG GLU A 85 7.769 8.235 12.321 1.00 0.00 C ATOM 1363 CD GLU A 85 9.204 8.535 12.707 1.00 0.00 C ATOM 1364 OE1 GLU A 85 9.821 7.695 13.394 1.00 0.00 O ATOM 1365 OE2 GLU A 85 9.710 9.610 12.323 1.00 0.00 O ATOM 0 H GLU A 85 5.375 6.265 12.651 1.00 0.00 H new ATOM 0 HA GLU A 85 7.424 6.743 14.737 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.867 8.794 13.124 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.217 9.095 14.200 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.707 7.220 11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.464 8.907 11.519 1.00 0.00 H new ATOM 1372 N GLY A 86 5.530 6.572 16.370 1.00 0.00 N ATOM 1373 CA GLY A 86 4.521 6.682 17.405 1.00 0.00 C ATOM 1374 C GLY A 86 3.161 6.240 16.917 1.00 0.00 C ATOM 1375 O GLY A 86 2.885 5.044 16.820 1.00 0.00 O ATOM 0 H GLY A 86 6.304 5.945 16.589 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.813 6.076 18.263 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.465 7.715 17.749 1.00 0.00 H new ATOM 1379 N ASN A 87 2.314 7.206 16.601 1.00 0.00 N ATOM 1380 CA ASN A 87 0.976 6.913 16.108 1.00 0.00 C ATOM 1381 C ASN A 87 0.880 7.182 14.608 1.00 0.00 C ATOM 1382 O ASN A 87 -0.212 7.375 14.072 1.00 0.00 O ATOM 1383 CB ASN A 87 -0.063 7.749 16.858 1.00 0.00 C ATOM 1384 CG ASN A 87 -0.575 7.053 18.104 1.00 0.00 C ATOM 1385 OD1 ASN A 87 -0.360 7.520 19.222 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -1.256 5.928 17.916 1.00 0.00 N ATOM 0 H ASN A 87 2.528 8.200 16.677 1.00 0.00 H new ATOM 0 HA ASN A 87 0.773 5.856 16.284 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.377 8.707 17.135 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.901 7.963 16.194 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.624 5.415 18.717 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.411 5.577 16.971 1.00 0.00 H new ATOM 1393 N LYS A 88 2.029 7.196 13.934 1.00 0.00 N ATOM 1394 CA LYS A 88 2.070 7.444 12.498 1.00 0.00 C ATOM 1395 C LYS A 88 2.782 6.310 11.765 1.00 0.00 C ATOM 1396 O LYS A 88 3.689 5.678 12.306 1.00 0.00 O ATOM 1397 CB LYS A 88 2.773 8.772 12.210 1.00 0.00 C ATOM 1398 CG LYS A 88 2.068 9.976 12.812 1.00 0.00 C ATOM 1399 CD LYS A 88 2.716 10.406 14.118 1.00 0.00 C ATOM 1400 CE LYS A 88 4.073 11.048 13.882 1.00 0.00 C ATOM 1401 NZ LYS A 88 4.773 11.353 15.161 1.00 0.00 N ATOM 0 H LYS A 88 2.942 7.038 14.361 1.00 0.00 H new ATOM 0 HA LYS A 88 1.043 7.495 12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.791 8.726 12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.848 8.907 11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.091 10.804 12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.019 9.735 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.064 11.111 14.634 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.830 9.541 14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.690 10.381 13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.945 11.967 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.694 11.790 14.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.196 12.009 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.918 10.473 15.696 1.00 0.00 H new ATOM 1415 N LEU A 89 2.361 6.062 10.529 1.00 0.00 N ATOM 1416 CA LEU A 89 2.949 5.008 9.709 1.00 0.00 C ATOM 1417 C LEU A 89 3.327 5.554 8.335 1.00 0.00 C ATOM 1418 O LEU A 89 2.508 6.180 7.662 1.00 0.00 O ATOM 1419 CB LEU A 89 1.958 3.845 9.571 1.00 0.00 C ATOM 1420 CG LEU A 89 2.340 2.744 8.573 1.00 0.00 C ATOM 1421 CD1 LEU A 89 2.092 3.200 7.141 1.00 0.00 C ATOM 1422 CD2 LEU A 89 3.791 2.317 8.761 1.00 0.00 C ATOM 0 H LEU A 89 1.611 6.580 10.071 1.00 0.00 H new ATOM 0 HA LEU A 89 3.855 4.644 10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.828 3.388 10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.990 4.252 9.278 1.00 0.00 H new ATOM 0 HG LEU A 89 1.706 1.879 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.370 2.403 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.036 3.438 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.692 4.086 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.036 1.536 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.446 3.174 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.930 1.935 9.773 1.00 0.00 H new ATOM 1434 N ILE A 90 4.570 5.322 7.921 1.00 0.00 N ATOM 1435 CA ILE A 90 5.038 5.803 6.625 1.00 0.00 C ATOM 1436 C ILE A 90 5.635 4.681 5.782 1.00 0.00 C ATOM 1437 O ILE A 90 6.404 3.855 6.272 1.00 0.00 O ATOM 1438 CB ILE A 90 6.087 6.927 6.768 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.801 7.784 8.006 1.00 0.00 C ATOM 1440 CG2 ILE A 90 6.101 7.791 5.515 1.00 0.00 C ATOM 1441 CD1 ILE A 90 6.563 7.345 9.238 1.00 0.00 C ATOM 0 H ILE A 90 5.267 4.808 8.460 1.00 0.00 H new ATOM 0 HA ILE A 90 4.156 6.200 6.122 1.00 0.00 H new ATOM 0 HB ILE A 90 7.069 6.470 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.052 8.821 7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.733 7.753 8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.844 8.581 5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.352 7.175 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.117 8.237 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.310 7.997 10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.294 6.318 9.485 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.634 7.403 9.043 1.00 0.00 H new ATOM 1453 N GLY A 91 5.279 4.679 4.505 1.00 0.00 N ATOM 1454 CA GLY A 91 5.777 3.688 3.574 1.00 0.00 C ATOM 1455 C GLY A 91 6.306 4.340 2.316 1.00 0.00 C ATOM 1456 O GLY A 91 5.927 5.465 1.999 1.00 0.00 O ATOM 0 H GLY A 91 4.642 5.360 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.569 3.106 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.979 2.991 3.318 1.00 0.00 H new ATOM 1460 N LYS A 92 7.196 3.657 1.608 1.00 0.00 N ATOM 1461 CA LYS A 92 7.778 4.212 0.398 1.00 0.00 C ATOM 1462 C LYS A 92 8.192 3.118 -0.583 1.00 0.00 C ATOM 1463 O LYS A 92 8.419 1.972 -0.193 1.00 0.00 O ATOM 1464 CB LYS A 92 9.001 5.058 0.756 1.00 0.00 C ATOM 1465 CG LYS A 92 8.667 6.397 1.402 1.00 0.00 C ATOM 1466 CD LYS A 92 9.207 6.497 2.825 1.00 0.00 C ATOM 1467 CE LYS A 92 8.705 5.363 3.707 1.00 0.00 C ATOM 1468 NZ LYS A 92 9.520 5.222 4.945 1.00 0.00 N ATOM 0 H LYS A 92 7.528 2.723 1.851 1.00 0.00 H new ATOM 0 HA LYS A 92 7.019 4.830 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.637 4.489 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.581 5.239 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.083 7.204 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.586 6.534 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.297 6.482 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.911 7.452 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.664 5.545 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.731 4.428 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.977 4.698 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.395 4.704 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.758 6.165 5.313 1.00 0.00 H new ATOM 1482 N PHE A 93 8.319 3.497 -1.852 1.00 0.00 N ATOM 1483 CA PHE A 93 8.748 2.577 -2.903 1.00 0.00 C ATOM 1484 C PHE A 93 9.666 3.301 -3.883 1.00 0.00 C ATOM 1485 O PHE A 93 9.780 4.527 -3.856 1.00 0.00 O ATOM 1486 CB PHE A 93 7.574 2.010 -3.711 1.00 0.00 C ATOM 1487 CG PHE A 93 6.765 0.927 -3.042 1.00 0.00 C ATOM 1488 CD1 PHE A 93 7.255 -0.368 -2.970 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.500 1.189 -2.524 1.00 0.00 C ATOM 1490 CE1 PHE A 93 6.509 -1.379 -2.396 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.755 0.180 -1.944 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.258 -1.105 -1.882 1.00 0.00 C ATOM 0 H PHE A 93 8.129 4.444 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 93 9.259 1.756 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.904 2.832 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.963 1.616 -4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.234 -0.589 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.097 2.190 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.904 -2.383 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.778 0.396 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.673 -1.894 -1.432 1.00 0.00 H new ATOM 1502 N LYS A 94 10.281 2.536 -4.775 1.00 0.00 N ATOM 1503 CA LYS A 94 11.150 3.095 -5.805 1.00 0.00 C ATOM 1504 C LYS A 94 11.149 2.198 -7.035 1.00 0.00 C ATOM 1505 O LYS A 94 11.440 1.006 -6.948 1.00 0.00 O ATOM 1506 CB LYS A 94 12.582 3.290 -5.303 1.00 0.00 C ATOM 1507 CG LYS A 94 12.834 4.665 -4.711 1.00 0.00 C ATOM 1508 CD LYS A 94 13.422 5.616 -5.742 1.00 0.00 C ATOM 1509 CE LYS A 94 14.941 5.622 -5.709 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.472 5.675 -4.319 1.00 0.00 N ATOM 0 H LYS A 94 10.194 1.520 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 94 10.755 4.077 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.801 2.533 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.274 3.127 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.899 5.074 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.515 4.579 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.082 5.328 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.051 6.624 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.317 4.728 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.312 6.479 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.316 6.283 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.745 6.063 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.726 4.716 -4.008 1.00 0.00 H new ATOM 1524 N ARG A 95 10.810 2.779 -8.178 1.00 0.00 N ATOM 1525 CA ARG A 95 10.760 2.027 -9.427 1.00 0.00 C ATOM 1526 C ARG A 95 12.157 1.769 -9.972 1.00 0.00 C ATOM 1527 O ARG A 95 13.054 2.601 -9.840 1.00 0.00 O ATOM 1528 CB ARG A 95 9.927 2.769 -10.472 1.00 0.00 C ATOM 1529 CG ARG A 95 8.468 2.344 -10.504 1.00 0.00 C ATOM 1530 CD ARG A 95 7.963 2.190 -11.930 1.00 0.00 C ATOM 1531 NE ARG A 95 8.483 0.982 -12.567 1.00 0.00 N ATOM 1532 CZ ARG A 95 8.053 0.518 -13.738 1.00 0.00 C ATOM 1533 NH1 ARG A 95 7.097 1.156 -14.402 1.00 0.00 N ATOM 1534 NH2 ARG A 95 8.580 -0.587 -14.247 1.00 0.00 N ATOM 0 H ARG A 95 10.566 3.765 -8.267 1.00 0.00 H new ATOM 0 HA ARG A 95 10.290 1.067 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.980 3.839 -10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.366 2.606 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.351 1.400 -9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.861 3.083 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.873 2.158 -11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.255 3.063 -12.514 1.00 0.00 H new ATOM 0 HE ARG A 95 9.218 0.464 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.688 2.007 -14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.771 0.796 -15.299 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.315 -1.081 -13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.251 -0.943 -15.144 1.00 0.00 H new ATOM 1548 N THR A 96 12.326 0.606 -10.586 1.00 0.00 N ATOM 1549 CA THR A 96 13.605 0.217 -11.161 1.00 0.00 C ATOM 1550 C THR A 96 13.816 0.880 -12.524 1.00 0.00 C ATOM 1551 O THR A 96 14.947 1.013 -12.990 1.00 0.00 O ATOM 1552 CB THR A 96 13.666 -1.310 -11.274 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.464 -1.854 -10.238 1.00 0.00 O ATOM 1554 CG2 THR A 96 14.221 -1.821 -12.591 1.00 0.00 C ATOM 0 H THR A 96 11.587 -0.088 -10.699 1.00 0.00 H new ATOM 0 HA THR A 96 14.409 0.556 -10.508 1.00 0.00 H new ATOM 0 HB THR A 96 12.627 -1.632 -11.201 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.491 -2.830 -10.324 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.228 -2.911 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.596 -1.467 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.238 -1.452 -12.725 1.00 0.00 H new ATOM 1562 N ASP A 97 12.720 1.292 -13.157 1.00 0.00 N ATOM 1563 CA ASP A 97 12.784 1.938 -14.465 1.00 0.00 C ATOM 1564 C ASP A 97 13.794 3.084 -14.463 1.00 0.00 C ATOM 1565 O ASP A 97 14.516 3.290 -15.438 1.00 0.00 O ATOM 1566 CB ASP A 97 11.402 2.460 -14.864 1.00 0.00 C ATOM 1567 CG ASP A 97 11.399 3.100 -16.239 1.00 0.00 C ATOM 1568 OD1 ASP A 97 11.887 4.243 -16.364 1.00 0.00 O ATOM 1569 OD2 ASP A 97 10.908 2.457 -17.192 1.00 0.00 O ATOM 0 H ASP A 97 11.776 1.190 -12.784 1.00 0.00 H new ATOM 0 HA ASP A 97 13.111 1.196 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.688 1.637 -14.848 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.065 3.189 -14.127 1.00 0.00 H new ATOM 1574 N ASN A 98 13.838 3.825 -13.360 1.00 0.00 N ATOM 1575 CA ASN A 98 14.759 4.948 -13.231 1.00 0.00 C ATOM 1576 C ASN A 98 14.880 5.386 -11.775 1.00 0.00 C ATOM 1577 O ASN A 98 15.093 6.563 -11.486 1.00 0.00 O ATOM 1578 CB ASN A 98 14.289 6.122 -14.091 1.00 0.00 C ATOM 1579 CG ASN A 98 15.445 6.902 -14.686 1.00 0.00 C ATOM 1580 OD1 ASN A 98 15.631 6.930 -15.902 1.00 0.00 O ATOM 1581 ND2 ASN A 98 16.231 7.542 -13.827 1.00 0.00 N ATOM 0 H ASN A 98 13.247 3.668 -12.544 1.00 0.00 H new ATOM 0 HA ASN A 98 15.740 4.623 -13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.654 5.749 -14.895 1.00 0.00 H new ATOM 0 HB3 ASN A 98 13.677 6.790 -13.485 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.025 8.083 -14.168 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.040 7.492 -12.826 1.00 0.00 H new ATOM 1588 N GLY A 99 14.742 4.430 -10.862 1.00 0.00 N ATOM 1589 CA GLY A 99 14.836 4.734 -9.446 1.00 0.00 C ATOM 1590 C GLY A 99 13.864 5.812 -9.016 1.00 0.00 C ATOM 1591 O GLY A 99 14.184 6.640 -8.163 1.00 0.00 O ATOM 0 H GLY A 99 14.566 3.449 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.646 3.828 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.852 5.052 -9.213 1.00 0.00 H new ATOM 1595 N ASN A 100 12.670 5.801 -9.599 1.00 0.00 N ATOM 1596 CA ASN A 100 11.650 6.784 -9.255 1.00 0.00 C ATOM 1597 C ASN A 100 11.246 6.624 -7.794 1.00 0.00 C ATOM 1598 O ASN A 100 11.067 5.510 -7.315 1.00 0.00 O ATOM 1599 CB ASN A 100 10.432 6.629 -10.165 1.00 0.00 C ATOM 1600 CG ASN A 100 10.739 6.972 -11.611 1.00 0.00 C ATOM 1601 OD1 ASN A 100 11.374 8.118 -11.829 1.00 0.00 O flip ATOM 1602 ND2 ASN A 100 10.408 6.214 -12.523 1.00 0.00 N flip ATOM 0 H ASN A 100 12.386 5.126 -10.309 1.00 0.00 H new ATOM 0 HA ASN A 100 12.061 7.783 -9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.068 5.603 -10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.629 7.273 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.921 5.343 -12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.620 6.457 -13.491 1.00 0.00 H new ATOM 1609 N GLU A 101 11.120 7.741 -7.091 1.00 0.00 N ATOM 1610 CA GLU A 101 10.761 7.728 -5.683 1.00 0.00 C ATOM 1611 C GLU A 101 9.263 7.621 -5.488 1.00 0.00 C ATOM 1612 O GLU A 101 8.474 8.096 -6.308 1.00 0.00 O ATOM 1613 CB GLU A 101 11.281 8.987 -4.993 1.00 0.00 C ATOM 1614 CG GLU A 101 12.781 8.976 -4.762 1.00 0.00 C ATOM 1615 CD GLU A 101 13.181 8.134 -3.566 1.00 0.00 C ATOM 1616 OE1 GLU A 101 12.515 7.107 -3.314 1.00 0.00 O ATOM 1617 OE2 GLU A 101 14.159 8.501 -2.882 1.00 0.00 O ATOM 0 H GLU A 101 11.263 8.674 -7.478 1.00 0.00 H new ATOM 0 HA GLU A 101 11.224 6.849 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.021 9.856 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.775 9.102 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.279 8.594 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.130 9.998 -4.615 1.00 0.00 H new ATOM 1624 N LEU A 102 8.885 6.992 -4.389 1.00 0.00 N ATOM 1625 CA LEU A 102 7.484 6.806 -4.058 1.00 0.00 C ATOM 1626 C LEU A 102 7.273 6.915 -2.552 1.00 0.00 C ATOM 1627 O LEU A 102 7.735 6.069 -1.787 1.00 0.00 O ATOM 1628 CB LEU A 102 7.019 5.451 -4.579 1.00 0.00 C ATOM 1629 CG LEU A 102 5.500 5.258 -4.650 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.105 4.516 -5.914 1.00 0.00 C ATOM 1631 CD2 LEU A 102 5.000 4.517 -3.420 1.00 0.00 C ATOM 0 H LEU A 102 9.534 6.599 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 102 6.892 7.588 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.434 5.303 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.437 4.673 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 102 5.034 6.243 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.022 4.392 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.426 5.086 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.583 3.536 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.920 4.389 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.479 3.539 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.243 5.091 -2.526 1.00 0.00 H new ATOM 1643 N ASN A 103 6.587 7.974 -2.133 1.00 0.00 N ATOM 1644 CA ASN A 103 6.330 8.211 -0.720 1.00 0.00 C ATOM 1645 C ASN A 103 4.901 7.843 -0.347 1.00 0.00 C ATOM 1646 O ASN A 103 3.988 7.934 -1.166 1.00 0.00 O ATOM 1647 CB ASN A 103 6.587 9.680 -0.370 1.00 0.00 C ATOM 1648 CG ASN A 103 7.843 10.223 -1.024 1.00 0.00 C ATOM 1649 OD1 ASN A 103 7.803 10.730 -2.145 1.00 0.00 O ATOM 1650 ND2 ASN A 103 8.967 10.119 -0.325 1.00 0.00 N ATOM 0 H ASN A 103 6.199 8.683 -2.756 1.00 0.00 H new ATOM 0 HA ASN A 103 7.010 7.577 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.731 10.279 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.671 9.783 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.843 10.467 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 103 8.954 9.691 0.601 1.00 0.00 H new ATOM 1657 N THR A 104 4.722 7.438 0.903 1.00 0.00 N ATOM 1658 CA THR A 104 3.409 7.063 1.412 1.00 0.00 C ATOM 1659 C THR A 104 3.278 7.444 2.883 1.00 0.00 C ATOM 1660 O THR A 104 4.016 6.944 3.732 1.00 0.00 O ATOM 1661 CB THR A 104 3.160 5.560 1.231 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.611 4.831 2.358 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.836 4.977 0.006 1.00 0.00 C ATOM 0 H THR A 104 5.474 7.360 1.587 1.00 0.00 H new ATOM 0 HA THR A 104 2.658 7.607 0.840 1.00 0.00 H new ATOM 0 HB THR A 104 2.081 5.467 1.108 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.301 3.904 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.617 3.911 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.465 5.478 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.914 5.122 0.082 1.00 0.00 H new ATOM 1671 N VAL A 105 2.337 8.334 3.178 1.00 0.00 N ATOM 1672 CA VAL A 105 2.114 8.784 4.547 1.00 0.00 C ATOM 1673 C VAL A 105 0.753 8.328 5.061 1.00 0.00 C ATOM 1674 O VAL A 105 -0.285 8.700 4.514 1.00 0.00 O ATOM 1675 CB VAL A 105 2.203 10.317 4.655 1.00 0.00 C ATOM 1676 CG1 VAL A 105 2.165 10.754 6.111 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.461 10.828 3.969 1.00 0.00 C ATOM 0 H VAL A 105 1.717 8.758 2.488 1.00 0.00 H new ATOM 0 HA VAL A 105 2.898 8.338 5.158 1.00 0.00 H new ATOM 0 HB VAL A 105 1.340 10.749 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.229 11.841 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.232 10.422 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.007 10.313 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.507 11.914 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.338 10.389 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.440 10.548 2.916 1.00 0.00 H new ATOM 1687 N ARG A 106 0.766 7.523 6.118 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.467 7.018 6.708 1.00 0.00 C ATOM 1689 C ARG A 106 -0.662 7.573 8.115 1.00 0.00 C ATOM 1690 O ARG A 106 0.131 7.300 9.016 1.00 0.00 O ATOM 1691 CB ARG A 106 -0.450 5.489 6.748 1.00 0.00 C ATOM 1692 CG ARG A 106 -1.808 4.858 6.485 1.00 0.00 C ATOM 1693 CD ARG A 106 -1.902 3.466 7.087 1.00 0.00 C ATOM 1694 NE ARG A 106 -1.645 2.423 6.097 1.00 0.00 N ATOM 1695 CZ ARG A 106 -1.322 1.169 6.407 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -1.216 0.799 7.678 1.00 0.00 N ATOM 1697 NH2 ARG A 106 -1.105 0.283 5.445 1.00 0.00 N ATOM 0 H ARG A 106 1.617 7.207 6.583 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.300 7.348 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.261 5.122 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.090 5.163 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.591 5.490 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.983 4.803 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.186 3.375 7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.894 3.323 7.516 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.717 2.670 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.382 1.477 8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.968 -0.163 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.185 0.562 4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.858 -0.678 5.683 1.00 0.00 H new ATOM 1711 N GLU A 107 -1.723 8.351 8.295 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.026 8.945 9.593 1.00 0.00 C ATOM 1713 C GLU A 107 -3.337 8.394 10.142 1.00 0.00 C ATOM 1714 O GLU A 107 -4.314 8.251 9.408 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.113 10.471 9.481 1.00 0.00 C ATOM 1716 CG GLU A 107 -1.217 11.063 8.404 1.00 0.00 C ATOM 1717 CD GLU A 107 0.257 10.866 8.698 1.00 0.00 C ATOM 1718 OE1 GLU A 107 0.630 9.763 9.149 1.00 0.00 O ATOM 1719 OE2 GLU A 107 1.038 11.816 8.479 1.00 0.00 O ATOM 0 H GLU A 107 -2.389 8.586 7.559 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.219 8.686 10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.146 10.752 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.848 10.912 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.457 10.604 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.425 12.129 8.309 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.354 8.086 11.434 1.00 0.00 N ATOM 1727 CA ILE A 108 -4.554 7.552 12.066 1.00 0.00 C ATOM 1728 C ILE A 108 -5.590 8.645 12.282 1.00 0.00 C ATOM 1729 O ILE A 108 -5.698 9.206 13.372 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.250 6.894 13.427 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -3.050 5.944 13.317 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -5.484 6.162 13.944 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -3.365 4.635 12.626 1.00 0.00 C ATOM 0 H ILE A 108 -2.556 8.196 12.060 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.945 6.795 11.386 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.990 7.675 14.142 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.250 6.447 12.774 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.673 5.734 14.318 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.258 5.701 14.906 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.303 6.871 14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -5.774 5.390 13.231 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.467 4.019 12.587 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -4.143 4.109 13.180 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.713 4.833 11.612 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.363 8.934 11.244 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.398 9.947 11.336 1.00 0.00 C ATOM 1747 C ILE A 109 -8.584 9.401 12.121 1.00 0.00 C ATOM 1748 O ILE A 109 -9.195 8.407 11.726 1.00 0.00 O ATOM 1749 CB ILE A 109 -7.854 10.415 9.936 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -8.383 11.848 9.996 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -8.909 9.478 9.372 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -7.382 12.842 10.543 1.00 0.00 C ATOM 0 H ILE A 109 -6.291 8.481 10.333 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.985 10.811 11.857 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.991 10.394 9.271 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.680 12.159 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.279 11.870 10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.216 9.827 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.496 8.473 9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.773 9.462 10.036 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.827 13.837 10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.103 12.556 11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.494 12.850 9.911 1.00 0.00 H new ATOM 1764 N GLY A 110 -8.896 10.032 13.246 1.00 0.00 N ATOM 1765 CA GLY A 110 -9.999 9.560 14.059 1.00 0.00 C ATOM 1766 C GLY A 110 -9.919 8.070 14.308 1.00 0.00 C ATOM 1767 O GLY A 110 -8.933 7.567 14.845 1.00 0.00 O ATOM 0 H GLY A 110 -8.411 10.853 13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.999 10.088 15.013 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.941 9.795 13.564 1.00 0.00 H new ATOM 1771 N ASP A 111 -10.955 7.373 13.890 1.00 0.00 N ATOM 1772 CA ASP A 111 -11.022 5.924 14.031 1.00 0.00 C ATOM 1773 C ASP A 111 -10.760 5.248 12.684 1.00 0.00 C ATOM 1774 O ASP A 111 -11.053 4.066 12.503 1.00 0.00 O ATOM 1775 CB ASP A 111 -12.390 5.503 14.572 1.00 0.00 C ATOM 1776 CG ASP A 111 -12.299 4.321 15.517 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -12.180 3.178 15.029 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -12.346 4.539 16.746 1.00 0.00 O ATOM 0 H ASP A 111 -11.773 7.788 13.444 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.255 5.610 14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -12.847 6.345 15.091 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.045 5.249 13.738 1.00 0.00 H new ATOM 1783 N GLU A 112 -10.209 6.014 11.742 1.00 0.00 N ATOM 1784 CA GLU A 112 -9.906 5.507 10.410 1.00 0.00 C ATOM 1785 C GLU A 112 -8.497 5.906 9.998 1.00 0.00 C ATOM 1786 O GLU A 112 -7.796 6.597 10.737 1.00 0.00 O ATOM 1787 CB GLU A 112 -10.914 6.046 9.394 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.344 6.040 9.900 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.299 6.756 8.965 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -12.824 7.548 8.124 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -14.522 6.525 9.074 1.00 0.00 O ATOM 0 H GLU A 112 -9.963 6.994 11.882 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.973 4.419 10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.637 7.065 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.856 5.448 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.674 5.010 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.380 6.513 10.881 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.083 5.464 8.818 1.00 0.00 N ATOM 1799 CA LEU A 113 -6.749 5.777 8.320 1.00 0.00 C ATOM 1800 C LEU A 113 -6.800 6.549 7.008 1.00 0.00 C ATOM 1801 O LEU A 113 -7.472 6.145 6.059 1.00 0.00 O ATOM 1802 CB LEU A 113 -5.937 4.494 8.129 1.00 0.00 C ATOM 1803 CG LEU A 113 -5.172 4.016 9.363 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -3.880 4.803 9.527 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -6.041 4.131 10.609 1.00 0.00 C ATOM 0 H LEU A 113 -8.647 4.891 8.191 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.266 6.409 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.612 3.700 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.225 4.651 7.319 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.915 2.966 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.348 4.449 10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.254 4.662 8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.111 5.862 9.642 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.480 3.786 11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.332 5.171 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.934 3.518 10.488 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.057 7.648 6.957 1.00 0.00 N ATOM 1818 CA VAL A 114 -5.982 8.470 5.755 1.00 0.00 C ATOM 1819 C VAL A 114 -4.637 8.246 5.073 1.00 0.00 C ATOM 1820 O VAL A 114 -3.597 8.673 5.575 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.157 9.970 6.077 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.143 10.423 7.120 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -6.043 10.809 4.812 1.00 0.00 C ATOM 0 H VAL A 114 -5.496 7.992 7.737 1.00 0.00 H new ATOM 0 HA VAL A 114 -6.795 8.175 5.092 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.155 10.114 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.286 11.483 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.282 9.849 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.134 10.261 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.169 11.863 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.062 10.658 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -6.816 10.508 4.105 1.00 0.00 H new ATOM 1833 N GLN A 115 -4.661 7.547 3.945 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.438 7.235 3.217 1.00 0.00 C ATOM 1835 C GLN A 115 -3.143 8.255 2.121 1.00 0.00 C ATOM 1836 O GLN A 115 -4.038 8.690 1.398 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.534 5.836 2.608 1.00 0.00 C ATOM 1838 CG GLN A 115 -4.152 4.805 3.539 1.00 0.00 C ATOM 1839 CD GLN A 115 -3.433 3.471 3.492 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -2.219 3.400 3.679 1.00 0.00 O ATOM 1841 NE2 GLN A 115 -4.183 2.404 3.240 1.00 0.00 N ATOM 0 H GLN A 115 -5.513 7.186 3.515 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.616 7.273 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.125 5.887 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.535 5.504 2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -4.135 5.187 4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -5.198 4.659 3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -5.187 2.510 3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.755 1.479 3.195 1.00 0.00 H new ATOM 1850 N THR A 116 -1.868 8.611 2.003 1.00 0.00 N ATOM 1851 CA THR A 116 -1.410 9.559 0.994 1.00 0.00 C ATOM 1852 C THR A 116 -0.105 9.067 0.380 1.00 0.00 C ATOM 1853 O THR A 116 0.917 8.982 1.060 1.00 0.00 O ATOM 1854 CB THR A 116 -1.209 10.944 1.609 1.00 0.00 C ATOM 1855 OG1 THR A 116 -2.045 11.119 2.738 1.00 0.00 O ATOM 1856 CG2 THR A 116 -1.493 12.076 0.645 1.00 0.00 C ATOM 0 H THR A 116 -1.125 8.252 2.602 1.00 0.00 H new ATOM 0 HA THR A 116 -2.169 9.634 0.215 1.00 0.00 H new ATOM 0 HB THR A 116 -0.156 10.984 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.900 12.011 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.331 13.030 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.826 11.999 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.527 12.015 0.307 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.146 8.736 -0.904 1.00 0.00 N ATOM 1865 CA TYR A 117 1.032 8.244 -1.602 1.00 0.00 C ATOM 1866 C TYR A 117 1.443 9.213 -2.703 1.00 0.00 C ATOM 1867 O TYR A 117 0.617 9.975 -3.203 1.00 0.00 O ATOM 1868 CB TYR A 117 0.750 6.870 -2.216 1.00 0.00 C ATOM 1869 CG TYR A 117 0.086 5.881 -1.281 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.219 6.070 -0.843 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.763 4.748 -0.850 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -1.827 5.161 -0.001 1.00 0.00 C ATOM 1873 CE2 TYR A 117 0.160 3.833 -0.008 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.134 4.044 0.414 1.00 0.00 C ATOM 1875 OH TYR A 117 -1.738 3.136 1.252 1.00 0.00 O ATOM 0 H TYR A 117 -0.984 8.800 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 117 1.844 8.158 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.115 7.003 -3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.690 6.444 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.767 6.943 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.778 4.579 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.842 5.324 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.701 2.957 0.318 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.406 3.262 2.165 1.00 0.00 H new ATOM 1885 N VAL A 118 2.714 9.171 -3.092 1.00 0.00 N ATOM 1886 CA VAL A 118 3.211 10.038 -4.146 1.00 0.00 C ATOM 1887 C VAL A 118 4.375 9.395 -4.898 1.00 0.00 C ATOM 1888 O VAL A 118 5.336 8.932 -4.288 1.00 0.00 O ATOM 1889 CB VAL A 118 3.662 11.402 -3.588 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.956 11.269 -2.799 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.819 12.397 -4.721 1.00 0.00 C ATOM 0 H VAL A 118 3.414 8.546 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 118 2.383 10.192 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 118 2.896 11.768 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.251 12.246 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.805 10.584 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.740 10.882 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.138 13.359 -4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.567 12.032 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.865 12.517 -5.235 1.00 0.00 H new ATOM 1901 N TYR A 119 4.285 9.384 -6.224 1.00 0.00 N ATOM 1902 CA TYR A 119 5.335 8.814 -7.061 1.00 0.00 C ATOM 1903 C TYR A 119 5.560 9.677 -8.294 1.00 0.00 C ATOM 1904 O TYR A 119 4.672 9.819 -9.135 1.00 0.00 O ATOM 1905 CB TYR A 119 4.980 7.383 -7.469 1.00 0.00 C ATOM 1906 CG TYR A 119 5.887 6.791 -8.530 1.00 0.00 C ATOM 1907 CD1 TYR A 119 7.028 6.093 -8.171 1.00 0.00 C ATOM 1908 CD2 TYR A 119 5.596 6.915 -9.884 1.00 0.00 C ATOM 1909 CE1 TYR A 119 7.859 5.537 -9.121 1.00 0.00 C ATOM 1910 CE2 TYR A 119 6.423 6.356 -10.843 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.552 5.669 -10.456 1.00 0.00 C ATOM 1912 OH TYR A 119 8.374 5.113 -11.408 1.00 0.00 O ATOM 0 H TYR A 119 3.494 9.764 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 119 6.259 8.788 -6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 119 5.013 6.747 -6.584 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.954 7.367 -7.835 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.272 5.982 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.713 7.455 -10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.746 5.001 -8.819 1.00 0.00 H new ATOM 0 HE2 TYR A 119 6.184 6.458 -11.891 1.00 0.00 H new ATOM 0 HH TYR A 119 8.013 5.298 -12.300 1.00 0.00 H new ATOM 1922 N GLU A 120 6.761 10.243 -8.387 1.00 0.00 N ATOM 1923 CA GLU A 120 7.153 11.099 -9.500 1.00 0.00 C ATOM 1924 C GLU A 120 5.963 11.766 -10.188 1.00 0.00 C ATOM 1925 O GLU A 120 5.412 11.233 -11.149 1.00 0.00 O ATOM 1926 CB GLU A 120 7.941 10.278 -10.512 1.00 0.00 C ATOM 1927 CG GLU A 120 9.328 9.898 -10.030 1.00 0.00 C ATOM 1928 CD GLU A 120 10.340 11.010 -10.226 1.00 0.00 C ATOM 1929 OE1 GLU A 120 10.935 11.084 -11.322 1.00 0.00 O ATOM 1930 OE2 GLU A 120 10.538 11.805 -9.284 1.00 0.00 O ATOM 0 H GLU A 120 7.493 10.119 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 120 7.769 11.900 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.384 9.370 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.029 10.845 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.282 9.636 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.663 9.009 -10.564 1.00 0.00 H new ATOM 1937 N GLY A 121 5.591 12.949 -9.709 1.00 0.00 N ATOM 1938 CA GLY A 121 4.493 13.681 -10.314 1.00 0.00 C ATOM 1939 C GLY A 121 3.113 13.276 -9.821 1.00 0.00 C ATOM 1940 O GLY A 121 2.225 14.121 -9.704 1.00 0.00 O ATOM 0 H GLY A 121 6.030 13.413 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.634 14.745 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.533 13.543 -11.394 1.00 0.00 H new ATOM 1944 N VAL A 122 2.911 11.988 -9.566 1.00 0.00 N ATOM 1945 CA VAL A 122 1.607 11.500 -9.129 1.00 0.00 C ATOM 1946 C VAL A 122 1.499 11.379 -7.610 1.00 0.00 C ATOM 1947 O VAL A 122 2.452 11.013 -6.926 1.00 0.00 O ATOM 1948 CB VAL A 122 1.284 10.140 -9.799 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.291 9.324 -8.998 1.00 0.00 C ATOM 1950 CG2 VAL A 122 0.775 10.371 -11.213 1.00 0.00 C ATOM 0 H VAL A 122 3.627 11.267 -9.653 1.00 0.00 H new ATOM 0 HA VAL A 122 0.873 12.243 -9.443 1.00 0.00 H new ATOM 0 HB VAL A 122 2.207 9.561 -9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.098 8.381 -9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.700 9.123 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.641 9.880 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.549 9.412 -11.680 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.129 10.980 -11.180 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.539 10.887 -11.795 1.00 0.00 H new ATOM 1960 N GLU A 123 0.303 11.675 -7.106 1.00 0.00 N ATOM 1961 CA GLU A 123 0.003 11.593 -5.685 1.00 0.00 C ATOM 1962 C GLU A 123 -1.404 11.037 -5.498 1.00 0.00 C ATOM 1963 O GLU A 123 -2.380 11.638 -5.947 1.00 0.00 O ATOM 1964 CB GLU A 123 0.120 12.970 -5.029 1.00 0.00 C ATOM 1965 CG GLU A 123 0.569 12.912 -3.579 1.00 0.00 C ATOM 1966 CD GLU A 123 1.389 14.121 -3.172 1.00 0.00 C ATOM 1967 OE1 GLU A 123 1.930 14.801 -4.069 1.00 0.00 O ATOM 1968 OE2 GLU A 123 1.491 14.387 -1.956 1.00 0.00 O ATOM 0 H GLU A 123 -0.486 11.979 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 123 0.722 10.928 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.827 13.576 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.846 13.473 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.307 12.838 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.158 12.009 -3.421 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.507 9.879 -4.853 1.00 0.00 N ATOM 1976 CA ALA A 124 -2.802 9.246 -4.639 1.00 0.00 C ATOM 1977 C ALA A 124 -3.095 9.062 -3.159 1.00 0.00 C ATOM 1978 O ALA A 124 -2.236 8.639 -2.393 1.00 0.00 O ATOM 1979 CB ALA A 124 -2.868 7.905 -5.374 1.00 0.00 C ATOM 0 H ALA A 124 -0.714 9.363 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.568 9.906 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.841 7.445 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.725 8.068 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.085 7.246 -5.000 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.324 9.377 -2.770 1.00 0.00 N ATOM 1986 CA LYS A 125 -4.750 9.244 -1.384 1.00 0.00 C ATOM 1987 C LYS A 125 -5.708 8.069 -1.258 1.00 0.00 C ATOM 1988 O LYS A 125 -6.209 7.565 -2.264 1.00 0.00 O ATOM 1989 CB LYS A 125 -5.427 10.530 -0.906 1.00 0.00 C ATOM 1990 CG LYS A 125 -4.476 11.502 -0.230 1.00 0.00 C ATOM 1991 CD LYS A 125 -4.920 12.943 -0.428 1.00 0.00 C ATOM 1992 CE LYS A 125 -4.728 13.392 -1.867 1.00 0.00 C ATOM 1993 NZ LYS A 125 -5.834 14.278 -2.325 1.00 0.00 N ATOM 0 H LYS A 125 -5.046 9.728 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.875 9.065 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.893 11.024 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.226 10.273 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -4.423 11.279 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.472 11.371 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.970 13.043 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.352 13.594 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.779 13.920 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.671 12.518 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -5.648 14.589 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -6.733 13.756 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.894 15.108 -1.702 1.00 0.00 H new ATOM 2007 N ARG A 126 -5.950 7.614 -0.036 1.00 0.00 N ATOM 2008 CA ARG A 126 -6.836 6.478 0.166 1.00 0.00 C ATOM 2009 C ARG A 126 -7.380 6.418 1.589 1.00 0.00 C ATOM 2010 O ARG A 126 -6.630 6.213 2.544 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.083 5.186 -0.163 1.00 0.00 C ATOM 2012 CG ARG A 126 -6.875 3.915 0.103 1.00 0.00 C ATOM 2013 CD ARG A 126 -5.972 2.798 0.602 1.00 0.00 C ATOM 2014 NE ARG A 126 -5.339 2.077 -0.499 1.00 0.00 N ATOM 2015 CZ ARG A 126 -4.871 0.835 -0.403 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -4.962 0.168 0.741 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -4.309 0.257 -1.455 1.00 0.00 N ATOM 0 H ARG A 126 -5.552 8.007 0.817 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.691 6.595 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.792 5.206 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.163 5.156 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.652 4.115 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.378 3.599 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.203 3.216 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -6.555 2.102 1.205 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.250 2.554 -1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.393 0.607 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.601 -0.784 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.236 0.764 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.950 -0.695 -1.383 1.00 0.00 H new ATOM 2031 N ILE A 127 -8.697 6.559 1.719 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.344 6.478 3.020 1.00 0.00 C ATOM 2033 C ILE A 127 -9.527 5.015 3.389 1.00 0.00 C ATOM 2034 O ILE A 127 -9.870 4.190 2.538 1.00 0.00 O ATOM 2035 CB ILE A 127 -10.718 7.179 3.047 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -10.726 8.405 2.131 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.075 7.575 4.473 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -9.651 9.412 2.454 1.00 0.00 C ATOM 0 H ILE A 127 -9.333 6.729 0.940 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.703 6.990 3.737 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.468 6.480 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.605 8.077 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -11.699 8.892 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.047 8.069 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.116 6.683 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.318 8.256 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -9.720 10.252 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -9.783 9.770 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -8.672 8.943 2.358 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.269 4.682 4.641 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.377 3.300 5.080 1.00 0.00 C ATOM 2052 C PHE A 128 -10.436 3.105 6.162 1.00 0.00 C ATOM 2053 O PHE A 128 -10.740 4.012 6.934 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.020 2.817 5.592 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.117 1.581 6.429 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.229 0.341 5.833 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.121 1.659 7.813 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.344 -0.790 6.592 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.230 0.517 8.580 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.342 -0.709 7.967 1.00 0.00 C ATOM 0 H PHE A 128 -8.986 5.341 5.366 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.689 2.711 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.365 2.623 4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.556 3.610 6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.226 0.264 4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.038 2.622 8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.437 -1.752 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.227 0.586 9.658 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.428 -1.606 8.562 1.00 0.00 H new ATOM 2070 N LYS A 129 -10.961 1.884 6.216 1.00 0.00 N ATOM 2071 CA LYS A 129 -11.959 1.494 7.205 1.00 0.00 C ATOM 2072 C LYS A 129 -11.700 0.055 7.633 1.00 0.00 C ATOM 2073 O LYS A 129 -10.996 -0.681 6.945 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.374 1.631 6.642 1.00 0.00 C ATOM 2075 CG LYS A 129 -13.712 3.040 6.184 1.00 0.00 C ATOM 2076 CD LYS A 129 -13.792 4.003 7.357 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.223 4.175 7.840 1.00 0.00 C ATOM 2078 NZ LYS A 129 -15.918 5.288 7.134 1.00 0.00 N ATOM 0 H LYS A 129 -10.705 1.135 5.572 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.879 2.156 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.489 0.947 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.091 1.324 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -12.956 3.386 5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.664 3.032 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.173 3.634 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.387 4.971 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -15.773 3.247 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -15.223 4.369 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -16.946 5.141 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -15.676 6.192 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.617 5.309 6.139 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.254 -0.349 8.766 1.00 0.00 N ATOM 2093 CA LYS A 130 -12.045 -1.709 9.254 1.00 0.00 C ATOM 2094 C LYS A 130 -13.261 -2.593 9.013 1.00 0.00 C ATOM 2095 O LYS A 130 -14.395 -2.117 8.964 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.693 -1.703 10.739 1.00 0.00 C ATOM 2097 CG LYS A 130 -12.769 -1.090 11.622 1.00 0.00 C ATOM 2098 CD LYS A 130 -12.167 -0.233 12.723 1.00 0.00 C ATOM 2099 CE LYS A 130 -12.971 -0.334 14.009 1.00 0.00 C ATOM 2100 NZ LYS A 130 -12.453 -1.403 14.907 1.00 0.00 N ATOM 0 H LYS A 130 -12.844 0.234 9.360 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.210 -2.125 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.510 -2.727 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.763 -1.152 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -13.439 -0.483 11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.372 -1.882 12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -11.140 -0.546 12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.129 0.806 12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.943 0.623 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -14.015 -0.536 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -13.029 -1.439 15.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.503 -2.320 14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.465 -1.198 15.157 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.004 -3.888 8.864 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.059 -4.863 8.626 1.00 0.00 C ATOM 2116 C ASP A 131 -14.911 -5.061 9.876 1.00 0.00 C ATOM 2117 O ASP A 131 -16.149 -4.935 9.772 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.443 -6.195 8.194 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.363 -6.993 7.291 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -14.451 -6.661 6.091 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -14.996 -7.950 7.785 1.00 0.00 O ATOM 2122 OXT ASP A 131 -14.333 -5.342 10.947 1.00 0.35 O ATOM 0 H ASP A 131 -12.066 -4.288 8.905 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.704 -4.488 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.503 -6.006 7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.205 -6.786 9.079 1.00 0.00 H new TER 2127 ASP A 131 HETATM 2128 O3 KTR A 201 1.064 4.099 -3.410 1.00 20.00 O HETATM 2129 C4 KTR A 201 -1.036 0.484 -4.782 1.00 20.00 C HETATM 2130 C5 KTR A 201 -0.055 0.745 -3.926 1.00 20.00 C HETATM 2131 C6 KTR A 201 1.864 -0.084 -2.927 1.00 20.00 C HETATM 2132 N1 KTR A 201 0.714 -0.359 -3.823 1.00 20.00 N HETATM 2133 C7 KTR A 201 1.487 1.096 -2.116 1.00 20.00 C HETATM 2134 C8 KTR A 201 0.516 1.823 -3.010 1.00 20.00 C HETATM 2135 C9 KTR A 201 1.205 2.926 -3.817 1.00 20.00 C HETATM 2136 C10 KTR A 201 1.160 -3.183 -6.198 1.00 20.00 C HETATM 2137 C11 KTR A 201 1.083 -4.528 -6.546 1.00 20.00 C HETATM 2138 C12 KTR A 201 1.456 -4.953 -7.815 1.00 20.00 C HETATM 2139 C13 KTR A 201 1.911 -4.029 -8.748 1.00 20.00 C HETATM 2140 C14 KTR A 201 1.992 -2.684 -8.410 1.00 20.00 C HETATM 2141 C15 KTR A 201 1.617 -2.266 -7.140 1.00 20.00 C HETATM 2142 O1 KTR A 201 0.858 -3.474 -3.835 1.00 20.00 O HETATM 2143 C1 KTR A 201 0.747 -2.718 -4.800 1.00 20.00 C HETATM 2144 C2 KTR A 201 0.194 -1.304 -4.615 1.00 20.00 C HETATM 2145 C3 KTR A 201 -0.880 -0.809 -5.214 1.00 20.00 C HETATM 2146 O2 KTR A 201 1.857 2.570 -4.822 1.00 20.00 O HETATM 0 H9 KTR A 201 1.392 -6.009 -8.078 1.00 20.00 H new HETATM 0 H8 KTR A 201 0.727 -5.255 -5.816 1.00 20.00 H new HETATM 0 H7 KTR A 201 -0.260 2.328 -2.434 1.00 20.00 H new HETATM 0 H6 KTR A 201 1.027 0.806 -1.171 1.00 20.00 H new HETATM 0 H5 KTR A 201 2.352 1.713 -1.874 1.00 20.00 H new HETATM 0 H4 KTR A 201 2.074 -0.943 -2.289 1.00 20.00 H new HETATM 0 H3 KTR A 201 2.768 0.113 -3.504 1.00 20.00 H new HETATM 0 H2 KTR A 201 -1.824 1.173 -5.087 1.00 20.00 H new HETATM 0 H13 KTR A 201 -1.522 -1.334 -5.921 1.00 20.00 H new HETATM 0 H12 KTR A 201 1.681 -1.210 -6.878 1.00 20.00 H new HETATM 0 H11 KTR A 201 2.349 -1.958 -9.140 1.00 20.00 H new HETATM 0 H10 KTR A 201 2.204 -4.359 -9.744 1.00 20.00 H new HETATM 0 H1 KTR A 201 0.614 4.632 -4.098 1.00 20.00 H new