USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 89:sc= 0.938 USER MOD Set 1.2: A 102 TYR OH : rot 121:sc= 0.62 USER MOD Set 2.1: A 89 ASN : amide:sc= 0.29 K(o=-1.1,f=-8.2!) USER MOD Set 2.2: A 94 GLN :FLIP amide:sc= -1.43 F(o=-2.3!,f=-1.1) USER MOD Set 3.1: A 57 THR OG1 : rot -93:sc= 0.613 USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0.546 USER MOD Set 4.1: A 8 THR OG1 : rot -77:sc= 0.685 USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0.622 USER MOD Set 5.1: A 17 TYR OH : rot -162:sc= 0.619 USER MOD Set 5.2: A 29 HIS : no HD1:sc= -0.469 K(o=0.15,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0205 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc=-0.00174 (180deg=-0.0491) USER MOD Single : A 9 GLN : amide:sc= 0.113 X(o=0.11,f=-0.27) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0288 X(o=0.029,f=-0.25) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 16 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.0059) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.03 X(o=-1,f=-0.87) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0192 (180deg=-0.172) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -0.203 (180deg=-1.77!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00105 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.015 (180deg=-0.152) USER MOD Single : A 55 SER OG : rot 30:sc= 0.256 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0841 F(o=-0.8,f=-0.084) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 0.9 (180deg=0.682) USER MOD Single : A 77 MET CE :methyl -154:sc=-0.00266 (180deg=-1.55) USER MOD Single : A 87 SER OG : rot -83:sc= 0.0176 USER MOD Single : A 88 LYS NZ :NH3+ -138:sc= -0.95 (180deg=-3.18!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.004 K(o=0.004,f=-3!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.919 -26.990 3.878 1.00 0.00 N ATOM 2 CA MET A 1 21.479 -27.256 4.089 1.00 0.00 C ATOM 3 C MET A 1 20.673 -25.990 3.779 1.00 0.00 C ATOM 4 O MET A 1 21.074 -24.893 4.170 1.00 0.00 O ATOM 5 CB MET A 1 21.232 -27.720 5.548 1.00 0.00 C ATOM 6 CG MET A 1 19.784 -28.146 5.856 1.00 0.00 C ATOM 7 SD MET A 1 19.563 -28.700 7.559 1.00 0.00 S ATOM 8 CE MET A 1 17.794 -29.010 7.633 1.00 0.00 C ATOM 0 H1 MET A 1 23.471 -27.452 4.629 1.00 0.00 H new ATOM 0 H2 MET A 1 23.210 -27.366 2.953 1.00 0.00 H new ATOM 0 H3 MET A 1 23.090 -25.964 3.904 1.00 0.00 H new ATOM 0 HA MET A 1 21.155 -28.052 3.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.896 -28.557 5.765 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.509 -26.910 6.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.115 -27.308 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.494 -28.949 5.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.527 -29.357 8.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.254 -28.089 7.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.527 -29.772 6.901 1.00 0.00 H new ATOM 20 N ILE A 2 19.538 -26.145 3.073 1.00 0.00 N ATOM 21 CA ILE A 2 18.670 -25.017 2.673 1.00 0.00 C ATOM 22 C ILE A 2 17.239 -25.250 3.191 1.00 0.00 C ATOM 23 O ILE A 2 16.758 -26.386 3.166 1.00 0.00 O ATOM 24 CB ILE A 2 18.632 -24.868 1.097 1.00 0.00 C ATOM 25 CG1 ILE A 2 20.062 -24.636 0.498 1.00 0.00 C ATOM 26 CG2 ILE A 2 17.664 -23.745 0.655 1.00 0.00 C ATOM 27 CD1 ILE A 2 20.763 -23.366 0.956 1.00 0.00 C ATOM 0 H ILE A 2 19.195 -27.054 2.763 1.00 0.00 H new ATOM 0 HA ILE A 2 19.078 -24.103 3.105 1.00 0.00 H new ATOM 0 HB ILE A 2 18.256 -25.811 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 2 20.688 -25.490 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 2 19.983 -24.616 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.664 -23.672 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 2 16.657 -23.975 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.988 -22.796 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.743 -23.301 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 2 20.166 -22.499 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.882 -23.387 2.039 1.00 0.00 H new ATOM 39 N GLU A 3 16.559 -24.179 3.657 1.00 0.00 N ATOM 40 CA GLU A 3 15.105 -24.205 3.917 1.00 0.00 C ATOM 41 C GLU A 3 14.407 -23.270 2.899 1.00 0.00 C ATOM 42 O GLU A 3 14.842 -22.127 2.718 1.00 0.00 O ATOM 43 CB GLU A 3 14.748 -23.792 5.382 1.00 0.00 C ATOM 44 CG GLU A 3 15.185 -22.376 5.810 1.00 0.00 C ATOM 45 CD GLU A 3 14.574 -21.909 7.142 1.00 0.00 C ATOM 46 OE1 GLU A 3 14.879 -22.507 8.194 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.779 -20.943 7.150 1.00 0.00 O ATOM 0 H GLU A 3 16.998 -23.281 3.861 1.00 0.00 H new ATOM 0 HA GLU A 3 14.752 -25.229 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.668 -23.871 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.202 -24.512 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.272 -22.351 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.908 -21.669 5.028 1.00 0.00 H new ATOM 54 N PRO A 4 13.350 -23.750 2.171 1.00 0.00 N ATOM 55 CA PRO A 4 12.528 -22.882 1.296 1.00 0.00 C ATOM 56 C PRO A 4 11.800 -21.804 2.121 1.00 0.00 C ATOM 57 O PRO A 4 11.109 -22.130 3.092 1.00 0.00 O ATOM 58 CB PRO A 4 11.523 -23.873 0.635 1.00 0.00 C ATOM 59 CG PRO A 4 12.160 -25.224 0.797 1.00 0.00 C ATOM 60 CD PRO A 4 12.899 -25.167 2.111 1.00 0.00 C ATOM 0 HA PRO A 4 13.118 -22.335 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.549 -23.833 1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.364 -23.633 -0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.409 -26.014 0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.841 -25.438 -0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.252 -25.422 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.739 -25.861 2.133 1.00 0.00 H new ATOM 68 N ILE A 5 11.960 -20.534 1.742 1.00 0.00 N ATOM 69 CA ILE A 5 11.380 -19.388 2.472 1.00 0.00 C ATOM 70 C ILE A 5 10.512 -18.553 1.521 1.00 0.00 C ATOM 71 O ILE A 5 10.333 -18.903 0.350 1.00 0.00 O ATOM 72 CB ILE A 5 12.495 -18.471 3.124 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.491 -17.966 2.039 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.230 -19.202 4.265 1.00 0.00 C ATOM 75 CD1 ILE A 5 14.564 -17.010 2.513 1.00 0.00 C ATOM 0 H ILE A 5 12.496 -20.263 0.918 1.00 0.00 H new ATOM 0 HA ILE A 5 10.769 -19.788 3.281 1.00 0.00 H new ATOM 0 HB ILE A 5 12.003 -17.603 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.977 -18.832 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.920 -17.477 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.988 -18.544 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.515 -19.479 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.707 -20.100 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.197 -16.727 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.098 -16.118 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.172 -17.495 3.277 1.00 0.00 H new ATOM 87 N LYS A 6 9.940 -17.479 2.075 1.00 0.00 N ATOM 88 CA LYS A 6 9.230 -16.431 1.330 1.00 0.00 C ATOM 89 C LYS A 6 9.127 -15.199 2.219 1.00 0.00 C ATOM 90 O LYS A 6 9.216 -15.316 3.448 1.00 0.00 O ATOM 91 CB LYS A 6 7.804 -16.876 0.861 1.00 0.00 C ATOM 92 CG LYS A 6 6.738 -17.066 1.967 1.00 0.00 C ATOM 93 CD LYS A 6 6.969 -18.308 2.869 1.00 0.00 C ATOM 94 CE LYS A 6 6.969 -19.636 2.091 1.00 0.00 C ATOM 95 NZ LYS A 6 5.729 -19.832 1.306 1.00 0.00 N ATOM 0 H LYS A 6 9.958 -17.309 3.081 1.00 0.00 H new ATOM 0 HA LYS A 6 9.797 -16.215 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.432 -16.136 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.902 -17.816 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.719 -16.175 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.757 -17.148 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.921 -18.199 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.192 -18.343 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.828 -19.661 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.087 -20.463 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.740 -20.776 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.904 -19.751 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.670 -19.107 0.563 1.00 0.00 H new ATOM 109 N ARG A 7 8.943 -14.021 1.614 1.00 0.00 N ATOM 110 CA ARG A 7 8.767 -12.771 2.379 1.00 0.00 C ATOM 111 C ARG A 7 7.495 -12.066 1.928 1.00 0.00 C ATOM 112 O ARG A 7 7.075 -12.211 0.767 1.00 0.00 O ATOM 113 CB ARG A 7 9.987 -11.824 2.207 1.00 0.00 C ATOM 114 CG ARG A 7 10.019 -10.656 3.219 1.00 0.00 C ATOM 115 CD ARG A 7 11.082 -9.607 2.882 1.00 0.00 C ATOM 116 NE ARG A 7 11.106 -8.509 3.858 1.00 0.00 N ATOM 117 CZ ARG A 7 10.192 -7.535 3.977 1.00 0.00 C ATOM 118 NH1 ARG A 7 9.116 -7.489 3.199 1.00 0.00 N ATOM 119 NH2 ARG A 7 10.350 -6.607 4.907 1.00 0.00 N ATOM 0 H ARG A 7 8.911 -13.901 0.602 1.00 0.00 H new ATOM 0 HA ARG A 7 8.688 -13.029 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.903 -12.405 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.979 -11.416 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.040 -10.178 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.209 -11.051 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.062 -10.083 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.890 -9.203 1.888 1.00 0.00 H new ATOM 0 HE ARG A 7 11.893 -8.485 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.969 -8.206 2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.437 -6.736 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.161 -6.637 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.661 -5.862 5.006 1.00 0.00 H new ATOM 133 N THR A 8 6.903 -11.284 2.842 1.00 0.00 N ATOM 134 CA THR A 8 5.687 -10.525 2.610 1.00 0.00 C ATOM 135 C THR A 8 5.980 -9.028 2.845 1.00 0.00 C ATOM 136 O THR A 8 6.236 -8.610 3.981 1.00 0.00 O ATOM 137 CB THR A 8 4.559 -11.022 3.579 1.00 0.00 C ATOM 138 OG1 THR A 8 4.344 -12.429 3.387 1.00 0.00 O ATOM 139 CG2 THR A 8 3.237 -10.269 3.383 1.00 0.00 C ATOM 0 H THR A 8 7.274 -11.166 3.785 1.00 0.00 H new ATOM 0 HA THR A 8 5.347 -10.669 1.584 1.00 0.00 H new ATOM 0 HB THR A 8 4.897 -10.823 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.821 -12.572 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.492 -10.654 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.393 -9.206 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.886 -10.411 2.361 1.00 0.00 H new ATOM 147 N GLN A 9 6.010 -8.242 1.764 1.00 0.00 N ATOM 148 CA GLN A 9 6.081 -6.778 1.834 1.00 0.00 C ATOM 149 C GLN A 9 4.675 -6.237 1.594 1.00 0.00 C ATOM 150 O GLN A 9 4.072 -6.561 0.581 1.00 0.00 O ATOM 151 CB GLN A 9 7.079 -6.234 0.767 1.00 0.00 C ATOM 152 CG GLN A 9 7.352 -4.716 0.842 1.00 0.00 C ATOM 153 CD GLN A 9 7.729 -4.256 2.253 1.00 0.00 C ATOM 154 OE1 GLN A 9 6.882 -3.807 3.032 1.00 0.00 O ATOM 155 NE2 GLN A 9 8.988 -4.430 2.608 1.00 0.00 N ATOM 0 H GLN A 9 5.986 -8.605 0.811 1.00 0.00 H new ATOM 0 HA GLN A 9 6.443 -6.455 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.026 -6.764 0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.692 -6.470 -0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.157 -4.461 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.466 -4.174 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.660 -4.803 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.289 -4.191 3.553 1.00 0.00 H new ATOM 164 N VAL A 10 4.122 -5.471 2.541 1.00 0.00 N ATOM 165 CA VAL A 10 2.792 -4.862 2.364 1.00 0.00 C ATOM 166 C VAL A 10 2.939 -3.355 2.079 1.00 0.00 C ATOM 167 O VAL A 10 3.521 -2.608 2.876 1.00 0.00 O ATOM 168 CB VAL A 10 1.816 -5.138 3.578 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.561 -6.657 3.753 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.310 -4.498 4.894 1.00 0.00 C ATOM 0 H VAL A 10 4.568 -5.257 3.433 1.00 0.00 H new ATOM 0 HA VAL A 10 2.325 -5.340 1.503 1.00 0.00 H new ATOM 0 HB VAL A 10 0.868 -4.658 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.887 -6.818 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.110 -7.057 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.506 -7.165 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.603 -4.719 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.288 -4.905 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.388 -3.418 4.767 1.00 0.00 H new ATOM 180 N VAL A 11 2.478 -2.927 0.892 1.00 0.00 N ATOM 181 CA VAL A 11 2.407 -1.505 0.518 1.00 0.00 C ATOM 182 C VAL A 11 0.985 -1.040 0.777 1.00 0.00 C ATOM 183 O VAL A 11 0.057 -1.478 0.105 1.00 0.00 O ATOM 184 CB VAL A 11 2.833 -1.252 -0.972 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.664 0.236 -1.377 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.288 -1.719 -1.187 1.00 0.00 C ATOM 0 H VAL A 11 2.144 -3.558 0.164 1.00 0.00 H new ATOM 0 HA VAL A 11 3.114 -0.933 1.119 1.00 0.00 H new ATOM 0 HB VAL A 11 2.173 -1.833 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.970 0.368 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.619 0.527 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.284 0.861 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.578 -1.541 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.950 -1.163 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.365 -2.784 -0.967 1.00 0.00 H new ATOM 196 N THR A 12 0.832 -0.184 1.785 1.00 0.00 N ATOM 197 CA THR A 12 -0.466 0.180 2.345 1.00 0.00 C ATOM 198 C THR A 12 -0.727 1.681 2.169 1.00 0.00 C ATOM 199 O THR A 12 0.138 2.488 2.494 1.00 0.00 O ATOM 200 CB THR A 12 -0.485 -0.183 3.864 1.00 0.00 C ATOM 201 OG1 THR A 12 -0.137 -1.568 4.034 1.00 0.00 O ATOM 202 CG2 THR A 12 -1.846 0.095 4.525 1.00 0.00 C ATOM 0 H THR A 12 1.616 0.282 2.241 1.00 0.00 H new ATOM 0 HA THR A 12 -1.248 -0.370 1.821 1.00 0.00 H new ATOM 0 HB THR A 12 0.248 0.456 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.148 -1.793 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.800 -0.176 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.086 1.154 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.618 -0.496 4.032 1.00 0.00 H new ATOM 210 N GLN A 13 -1.914 2.061 1.668 1.00 0.00 N ATOM 211 CA GLN A 13 -2.366 3.459 1.687 1.00 0.00 C ATOM 212 C GLN A 13 -3.397 3.598 2.808 1.00 0.00 C ATOM 213 O GLN A 13 -4.550 3.170 2.656 1.00 0.00 O ATOM 214 CB GLN A 13 -2.970 3.907 0.324 1.00 0.00 C ATOM 215 CG GLN A 13 -1.981 3.852 -0.853 1.00 0.00 C ATOM 216 CD GLN A 13 -2.517 4.482 -2.138 1.00 0.00 C ATOM 217 OE1 GLN A 13 -2.287 5.658 -2.401 1.00 0.00 O ATOM 218 NE2 GLN A 13 -3.277 3.716 -2.919 1.00 0.00 N ATOM 0 H GLN A 13 -2.579 1.415 1.243 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.509 4.109 1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.827 3.274 0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.344 4.926 0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.061 4.361 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.722 2.812 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.447 2.742 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.689 4.104 -3.768 1.00 0.00 H new ATOM 227 N THR A 14 -2.954 4.130 3.959 1.00 0.00 N ATOM 228 CA THR A 14 -3.863 4.475 5.050 1.00 0.00 C ATOM 229 C THR A 14 -4.565 5.786 4.667 1.00 0.00 C ATOM 230 O THR A 14 -4.002 6.872 4.795 1.00 0.00 O ATOM 231 CB THR A 14 -3.074 4.629 6.400 1.00 0.00 C ATOM 232 OG1 THR A 14 -1.826 5.299 6.169 1.00 0.00 O ATOM 233 CG2 THR A 14 -2.789 3.281 7.070 1.00 0.00 C ATOM 0 H THR A 14 -1.972 4.328 4.152 1.00 0.00 H new ATOM 0 HA THR A 14 -4.599 3.685 5.201 1.00 0.00 H new ATOM 0 HB THR A 14 -3.707 5.214 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.343 5.391 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.242 3.445 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.730 2.777 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.191 2.661 6.401 1.00 0.00 H new ATOM 241 N ILE A 15 -5.802 5.655 4.188 1.00 0.00 N ATOM 242 CA ILE A 15 -6.561 6.768 3.616 1.00 0.00 C ATOM 243 C ILE A 15 -7.592 7.307 4.622 1.00 0.00 C ATOM 244 O ILE A 15 -8.291 6.554 5.325 1.00 0.00 O ATOM 245 CB ILE A 15 -7.211 6.360 2.243 1.00 0.00 C ATOM 246 CG1 ILE A 15 -8.049 7.523 1.629 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.037 5.068 2.344 1.00 0.00 C ATOM 248 CD1 ILE A 15 -8.593 7.215 0.255 1.00 0.00 C ATOM 0 H ILE A 15 -6.309 4.770 4.186 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.871 7.585 3.406 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.385 6.155 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.880 7.753 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.428 8.417 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.463 4.832 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.394 4.249 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.840 5.205 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.165 8.068 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.767 7.014 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.241 6.340 0.308 1.00 0.00 H new ATOM 260 N HIS A 16 -7.633 8.641 4.693 1.00 0.00 N ATOM 261 CA HIS A 16 -8.413 9.408 5.658 1.00 0.00 C ATOM 262 C HIS A 16 -9.419 10.277 4.901 1.00 0.00 C ATOM 263 O HIS A 16 -9.157 10.714 3.774 1.00 0.00 O ATOM 264 CB HIS A 16 -7.475 10.315 6.507 1.00 0.00 C ATOM 265 CG HIS A 16 -6.435 9.581 7.333 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.383 9.645 8.708 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.388 8.799 6.969 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.361 8.941 9.145 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.743 8.421 8.113 1.00 0.00 N ATOM 0 H HIS A 16 -7.103 9.234 4.055 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.937 8.725 6.326 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.962 11.006 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.088 10.917 7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.114 8.525 5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.079 8.813 10.180 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.914 7.829 8.157 1.00 0.00 H new ATOM 278 N TYR A 17 -10.566 10.510 5.528 1.00 0.00 N ATOM 279 CA TYR A 17 -11.639 11.348 4.976 1.00 0.00 C ATOM 280 C TYR A 17 -12.006 12.396 6.009 1.00 0.00 C ATOM 281 O TYR A 17 -12.453 12.058 7.108 1.00 0.00 O ATOM 282 CB TYR A 17 -12.880 10.490 4.607 1.00 0.00 C ATOM 283 CG TYR A 17 -12.543 9.268 3.742 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.216 9.391 2.392 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.513 7.998 4.295 1.00 0.00 C ATOM 286 CE1 TYR A 17 -11.881 8.286 1.637 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.188 6.905 3.546 1.00 0.00 C ATOM 288 CZ TYR A 17 -11.870 7.042 2.225 1.00 0.00 C ATOM 289 OH TYR A 17 -11.541 5.925 1.498 1.00 0.00 O ATOM 0 H TYR A 17 -10.786 10.121 6.445 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.292 11.830 4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.365 10.154 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.599 11.114 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.225 10.367 1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.752 7.871 5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.629 8.396 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.182 5.925 4.001 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.850 5.124 1.971 1.00 0.00 H new ATOM 299 N ARG A 18 -11.769 13.665 5.666 1.00 0.00 N ATOM 300 CA ARG A 18 -12.104 14.816 6.518 1.00 0.00 C ATOM 301 C ARG A 18 -12.694 15.920 5.646 1.00 0.00 C ATOM 302 O ARG A 18 -12.388 16.007 4.462 1.00 0.00 O ATOM 303 CB ARG A 18 -10.855 15.336 7.292 1.00 0.00 C ATOM 304 CG ARG A 18 -10.273 14.333 8.313 1.00 0.00 C ATOM 305 CD ARG A 18 -9.168 14.932 9.193 1.00 0.00 C ATOM 306 NE ARG A 18 -8.059 15.518 8.406 1.00 0.00 N ATOM 307 CZ ARG A 18 -6.768 15.606 8.800 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.368 15.147 9.984 1.00 0.00 N ATOM 309 NH2 ARG A 18 -5.874 16.151 7.987 1.00 0.00 N ATOM 0 H ARG A 18 -11.335 13.928 4.781 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.835 14.503 7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.078 15.595 6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.123 16.254 7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.077 13.967 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.874 13.471 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.598 15.702 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.772 14.156 9.848 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.289 15.889 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.041 14.717 10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.388 15.226 10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.162 16.500 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.898 16.222 8.276 1.00 0.00 H new ATOM 323 N TYR A 19 -13.545 16.753 6.251 1.00 0.00 N ATOM 324 CA TYR A 19 -14.206 17.875 5.568 1.00 0.00 C ATOM 325 C TYR A 19 -13.233 19.064 5.408 1.00 0.00 C ATOM 326 O TYR A 19 -12.148 19.073 6.005 1.00 0.00 O ATOM 327 CB TYR A 19 -15.452 18.302 6.376 1.00 0.00 C ATOM 328 CG TYR A 19 -16.452 17.167 6.644 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.317 16.322 7.750 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.542 16.943 5.808 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.213 15.304 8.001 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.439 15.929 6.058 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.276 15.115 7.153 1.00 0.00 C ATOM 334 OH TYR A 19 -19.175 14.097 7.391 1.00 0.00 O ATOM 0 H TYR A 19 -13.798 16.670 7.236 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.514 17.556 4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.127 18.717 7.330 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.963 19.101 5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.488 16.471 8.426 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.687 17.577 4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.079 14.660 8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.274 15.773 5.391 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.867 14.103 6.697 1.00 0.00 H new ATOM 344 N GLU A 20 -13.641 20.073 4.614 1.00 0.00 N ATOM 345 CA GLU A 20 -12.854 21.314 4.423 1.00 0.00 C ATOM 346 C GLU A 20 -12.832 22.170 5.702 1.00 0.00 C ATOM 347 O GLU A 20 -11.932 22.989 5.896 1.00 0.00 O ATOM 348 CB GLU A 20 -13.400 22.155 3.234 1.00 0.00 C ATOM 349 CG GLU A 20 -14.859 22.657 3.402 1.00 0.00 C ATOM 350 CD GLU A 20 -15.166 23.904 2.555 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.563 23.772 1.389 1.00 0.00 O ATOM 352 OE2 GLU A 20 -14.981 25.029 3.049 1.00 0.00 O ATOM 0 H GLU A 20 -14.516 20.055 4.090 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.833 21.009 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.749 23.017 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.340 21.555 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.547 21.858 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.041 22.884 4.452 1.00 0.00 H new ATOM 359 N ASP A 21 -13.840 21.958 6.566 1.00 0.00 N ATOM 360 CA ASP A 21 -13.936 22.611 7.887 1.00 0.00 C ATOM 361 C ASP A 21 -12.924 22.006 8.888 1.00 0.00 C ATOM 362 O ASP A 21 -12.684 22.566 9.961 1.00 0.00 O ATOM 363 CB ASP A 21 -15.392 22.480 8.407 1.00 0.00 C ATOM 364 CG ASP A 21 -15.657 23.270 9.703 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.745 24.515 9.648 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.779 22.648 10.782 1.00 0.00 O ATOM 0 H ASP A 21 -14.616 21.326 6.368 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.684 23.667 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.078 22.826 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.613 21.427 8.581 1.00 0.00 H new ATOM 371 N GLY A 22 -12.328 20.857 8.509 1.00 0.00 N ATOM 372 CA GLY A 22 -11.347 20.165 9.347 1.00 0.00 C ATOM 373 C GLY A 22 -11.971 19.113 10.251 1.00 0.00 C ATOM 374 O GLY A 22 -11.268 18.484 11.044 1.00 0.00 O ATOM 0 H GLY A 22 -12.516 20.392 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.602 19.691 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.821 20.897 9.960 1.00 0.00 H new ATOM 378 N ALA A 23 -13.298 18.922 10.131 1.00 0.00 N ATOM 379 CA ALA A 23 -14.026 17.881 10.869 1.00 0.00 C ATOM 380 C ALA A 23 -13.666 16.490 10.322 1.00 0.00 C ATOM 381 O ALA A 23 -13.387 16.351 9.134 1.00 0.00 O ATOM 382 CB ALA A 23 -15.539 18.129 10.769 1.00 0.00 C ATOM 0 H ALA A 23 -13.891 19.485 9.521 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.736 17.921 11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.072 17.353 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.777 19.104 11.195 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.843 18.106 9.723 1.00 0.00 H new ATOM 388 N VAL A 24 -13.665 15.482 11.197 1.00 0.00 N ATOM 389 CA VAL A 24 -13.392 14.089 10.817 1.00 0.00 C ATOM 390 C VAL A 24 -14.665 13.440 10.258 1.00 0.00 C ATOM 391 O VAL A 24 -15.754 13.636 10.805 1.00 0.00 O ATOM 392 CB VAL A 24 -12.859 13.271 12.053 1.00 0.00 C ATOM 393 CG1 VAL A 24 -12.652 11.771 11.711 1.00 0.00 C ATOM 394 CG2 VAL A 24 -11.562 13.910 12.607 1.00 0.00 C ATOM 0 H VAL A 24 -13.854 15.606 12.192 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.622 14.083 10.045 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.620 13.312 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.284 11.245 12.592 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.601 11.335 11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.926 11.679 10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.208 13.332 13.461 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.798 13.915 11.830 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.766 14.934 12.921 1.00 0.00 H new ATOM 404 N ALA A 25 -14.520 12.701 9.148 1.00 0.00 N ATOM 405 CA ALA A 25 -15.588 11.835 8.620 1.00 0.00 C ATOM 406 C ALA A 25 -15.253 10.374 8.950 1.00 0.00 C ATOM 407 O ALA A 25 -15.944 9.736 9.749 1.00 0.00 O ATOM 408 CB ALA A 25 -15.742 12.039 7.101 1.00 0.00 C ATOM 0 H ALA A 25 -13.665 12.686 8.593 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.539 12.096 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.535 11.392 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.995 13.079 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.805 11.790 6.604 1.00 0.00 H new ATOM 414 N HIS A 26 -14.128 9.883 8.390 1.00 0.00 N ATOM 415 CA HIS A 26 -13.635 8.494 8.568 1.00 0.00 C ATOM 416 C HIS A 26 -12.119 8.466 8.291 1.00 0.00 C ATOM 417 O HIS A 26 -11.695 8.421 7.141 1.00 0.00 O ATOM 418 CB HIS A 26 -14.374 7.476 7.625 1.00 0.00 C ATOM 419 CG HIS A 26 -15.817 7.187 7.977 1.00 0.00 C ATOM 420 ND1 HIS A 26 -16.187 6.298 8.955 1.00 0.00 N ATOM 421 CD2 HIS A 26 -16.978 7.710 7.504 1.00 0.00 C ATOM 422 CE1 HIS A 26 -17.498 6.278 9.064 1.00 0.00 C ATOM 423 NE2 HIS A 26 -18.002 7.126 8.200 1.00 0.00 N ATOM 0 H HIS A 26 -13.524 10.446 7.791 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.842 8.186 9.593 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.337 7.860 6.606 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.822 6.536 7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -17.075 8.450 6.723 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -18.064 5.666 9.750 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.995 7.319 8.068 1.00 0.00 H new ATOM 432 N ASP A 27 -11.305 8.525 9.345 1.00 0.00 N ATOM 433 CA ASP A 27 -9.824 8.446 9.232 1.00 0.00 C ATOM 434 C ASP A 27 -9.322 6.995 9.079 1.00 0.00 C ATOM 435 O ASP A 27 -8.141 6.764 8.773 1.00 0.00 O ATOM 436 CB ASP A 27 -9.152 9.127 10.456 1.00 0.00 C ATOM 437 CG ASP A 27 -9.237 10.666 10.438 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.063 11.274 9.357 1.00 0.00 O ATOM 439 OD2 ASP A 27 -9.427 11.276 11.508 1.00 0.00 O ATOM 0 H ASP A 27 -11.639 8.628 10.303 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.542 8.979 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.621 8.757 11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.104 8.831 10.494 1.00 0.00 H new ATOM 444 N ASP A 28 -10.235 6.029 9.261 1.00 0.00 N ATOM 445 CA ASP A 28 -9.925 4.602 9.308 1.00 0.00 C ATOM 446 C ASP A 28 -10.465 3.883 8.062 1.00 0.00 C ATOM 447 O ASP A 28 -11.485 3.190 8.103 1.00 0.00 O ATOM 448 CB ASP A 28 -10.489 3.996 10.621 1.00 0.00 C ATOM 449 CG ASP A 28 -10.199 2.492 10.794 1.00 0.00 C ATOM 450 OD1 ASP A 28 -9.014 2.112 10.841 1.00 0.00 O ATOM 451 OD2 ASP A 28 -11.158 1.692 10.912 1.00 0.00 O ATOM 0 H ASP A 28 -11.228 6.228 9.382 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.844 4.464 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.068 4.536 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.567 4.153 10.647 1.00 0.00 H new ATOM 456 N HIS A 29 -9.827 4.148 6.924 1.00 0.00 N ATOM 457 CA HIS A 29 -9.885 3.270 5.751 1.00 0.00 C ATOM 458 C HIS A 29 -8.451 2.948 5.407 1.00 0.00 C ATOM 459 O HIS A 29 -7.637 3.851 5.230 1.00 0.00 O ATOM 460 CB HIS A 29 -10.620 3.919 4.545 1.00 0.00 C ATOM 461 CG HIS A 29 -12.072 3.542 4.396 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.737 3.638 3.195 1.00 0.00 N ATOM 463 CD2 HIS A 29 -12.985 3.083 5.287 1.00 0.00 C ATOM 464 CE1 HIS A 29 -13.978 3.255 3.353 1.00 0.00 C ATOM 465 NE2 HIS A 29 -14.157 2.912 4.608 1.00 0.00 N ATOM 0 H HIS A 29 -9.253 4.980 6.786 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.462 2.374 5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.551 5.003 4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.095 3.644 3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.817 2.889 6.336 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.731 3.226 2.579 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.031 2.573 5.010 1.00 0.00 H new ATOM 474 N VAL A 30 -8.120 1.663 5.387 1.00 0.00 N ATOM 475 CA VAL A 30 -6.745 1.205 5.227 1.00 0.00 C ATOM 476 C VAL A 30 -6.721 0.071 4.196 1.00 0.00 C ATOM 477 O VAL A 30 -7.254 -1.016 4.452 1.00 0.00 O ATOM 478 CB VAL A 30 -6.181 0.716 6.626 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.728 0.228 6.506 1.00 0.00 C ATOM 480 CG2 VAL A 30 -6.315 1.820 7.725 1.00 0.00 C ATOM 0 H VAL A 30 -8.799 0.907 5.481 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.112 2.018 4.873 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.793 -0.130 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.372 -0.100 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.681 -0.605 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.099 1.042 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.917 1.445 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.756 2.705 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.366 2.081 7.853 1.00 0.00 H new ATOM 490 N VAL A 31 -6.115 0.345 3.028 1.00 0.00 N ATOM 491 CA VAL A 31 -5.949 -0.633 1.946 1.00 0.00 C ATOM 492 C VAL A 31 -4.478 -1.065 1.889 1.00 0.00 C ATOM 493 O VAL A 31 -3.583 -0.226 1.808 1.00 0.00 O ATOM 494 CB VAL A 31 -6.427 -0.062 0.553 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.696 1.242 0.159 1.00 0.00 C ATOM 496 CG2 VAL A 31 -6.316 -1.128 -0.569 1.00 0.00 C ATOM 0 H VAL A 31 -5.724 1.261 2.809 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.578 -1.498 2.157 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.480 0.193 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.065 1.588 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.882 2.006 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.625 1.052 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.653 -0.699 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.278 -1.448 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.938 -1.987 -0.318 1.00 0.00 H new ATOM 506 N SER A 32 -4.232 -2.372 1.958 1.00 0.00 N ATOM 507 CA SER A 32 -2.879 -2.939 1.951 1.00 0.00 C ATOM 508 C SER A 32 -2.756 -3.943 0.810 1.00 0.00 C ATOM 509 O SER A 32 -3.652 -4.772 0.599 1.00 0.00 O ATOM 510 CB SER A 32 -2.572 -3.616 3.306 1.00 0.00 C ATOM 511 OG SER A 32 -3.521 -4.629 3.613 1.00 0.00 O ATOM 0 H SER A 32 -4.969 -3.074 2.021 1.00 0.00 H new ATOM 0 HA SER A 32 -2.154 -2.139 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.572 -4.050 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.572 -2.865 4.096 1.00 0.00 H new ATOM 0 HG SER A 32 -3.296 -5.037 4.475 1.00 0.00 H new ATOM 517 N LEU A 33 -1.659 -3.843 0.062 1.00 0.00 N ATOM 518 CA LEU A 33 -1.297 -4.817 -0.965 1.00 0.00 C ATOM 519 C LEU A 33 -0.258 -5.763 -0.391 1.00 0.00 C ATOM 520 O LEU A 33 0.798 -5.327 0.048 1.00 0.00 O ATOM 521 CB LEU A 33 -0.725 -4.109 -2.211 1.00 0.00 C ATOM 522 CG LEU A 33 -1.700 -3.199 -2.994 1.00 0.00 C ATOM 523 CD1 LEU A 33 -0.997 -2.602 -4.221 1.00 0.00 C ATOM 524 CD2 LEU A 33 -2.999 -3.945 -3.385 1.00 0.00 C ATOM 0 H LEU A 33 -0.991 -3.077 0.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.186 -5.370 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.129 -3.507 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.346 -4.871 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.999 -2.381 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.693 -1.963 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.140 -2.012 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.658 -3.407 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.656 -3.269 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.752 -4.801 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.505 -4.291 -2.484 1.00 0.00 H new ATOM 536 N ILE A 34 -0.572 -7.049 -0.421 1.00 0.00 N ATOM 537 CA ILE A 34 0.287 -8.106 0.098 1.00 0.00 C ATOM 538 C ILE A 34 1.147 -8.630 -1.065 1.00 0.00 C ATOM 539 O ILE A 34 0.610 -9.112 -2.066 1.00 0.00 O ATOM 540 CB ILE A 34 -0.561 -9.279 0.760 1.00 0.00 C ATOM 541 CG1 ILE A 34 -1.375 -8.781 2.017 1.00 0.00 C ATOM 542 CG2 ILE A 34 0.343 -10.472 1.151 1.00 0.00 C ATOM 543 CD1 ILE A 34 -2.607 -7.931 1.722 1.00 0.00 C ATOM 0 H ILE A 34 -1.447 -7.395 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 34 0.925 -7.707 0.887 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.275 -9.613 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.689 -9.653 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.704 -8.205 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.265 -11.257 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.838 -10.861 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.094 -10.140 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.086 -7.647 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.309 -7.034 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.308 -8.505 1.116 1.00 0.00 H new ATOM 555 N PHE A 35 2.470 -8.453 -0.950 1.00 0.00 N ATOM 556 CA PHE A 35 3.452 -9.002 -1.896 1.00 0.00 C ATOM 557 C PHE A 35 4.154 -10.175 -1.196 1.00 0.00 C ATOM 558 O PHE A 35 5.053 -9.952 -0.398 1.00 0.00 O ATOM 559 CB PHE A 35 4.510 -7.908 -2.289 1.00 0.00 C ATOM 560 CG PHE A 35 3.958 -6.630 -2.934 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.208 -5.712 -2.199 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.223 -6.324 -4.263 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.745 -4.546 -2.769 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.756 -5.158 -4.834 1.00 0.00 C ATOM 565 CZ PHE A 35 3.016 -4.268 -4.086 1.00 0.00 C ATOM 0 H PHE A 35 2.893 -7.920 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 35 2.955 -9.331 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.062 -7.628 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.227 -8.357 -2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.986 -5.919 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.805 -7.011 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.168 -3.850 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.971 -4.942 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.651 -3.356 -4.534 1.00 0.00 H new ATOM 575 N THR A 36 3.716 -11.409 -1.457 1.00 0.00 N ATOM 576 CA THR A 36 4.378 -12.614 -0.922 1.00 0.00 C ATOM 577 C THR A 36 4.964 -13.411 -2.078 1.00 0.00 C ATOM 578 O THR A 36 4.225 -13.862 -2.958 1.00 0.00 O ATOM 579 CB THR A 36 3.403 -13.511 -0.090 1.00 0.00 C ATOM 580 OG1 THR A 36 2.787 -12.722 0.935 1.00 0.00 O ATOM 581 CG2 THR A 36 4.129 -14.705 0.567 1.00 0.00 C ATOM 0 H THR A 36 2.901 -11.606 -2.038 1.00 0.00 H new ATOM 0 HA THR A 36 5.167 -12.292 -0.243 1.00 0.00 H new ATOM 0 HB THR A 36 2.655 -13.907 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.175 -13.283 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.412 -15.299 1.134 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.583 -15.325 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.905 -14.335 1.238 1.00 0.00 H new ATOM 589 N GLN A 37 6.295 -13.546 -2.101 1.00 0.00 N ATOM 590 CA GLN A 37 6.980 -14.392 -3.092 1.00 0.00 C ATOM 591 C GLN A 37 8.171 -15.080 -2.428 1.00 0.00 C ATOM 592 O GLN A 37 8.737 -14.568 -1.451 1.00 0.00 O ATOM 593 CB GLN A 37 7.393 -13.560 -4.341 1.00 0.00 C ATOM 594 CG GLN A 37 7.572 -14.350 -5.673 1.00 0.00 C ATOM 595 CD GLN A 37 8.888 -15.140 -5.839 1.00 0.00 C ATOM 596 OE1 GLN A 37 8.912 -16.181 -6.489 1.00 0.00 O ATOM 597 NE2 GLN A 37 9.983 -14.659 -5.272 1.00 0.00 N ATOM 0 H GLN A 37 6.922 -13.081 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 37 6.300 -15.165 -3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.641 -12.787 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.330 -13.051 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.741 -15.049 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.492 -13.645 -6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.941 -13.792 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.869 -15.155 -5.371 1.00 0.00 H new ATOM 606 N SER A 38 8.546 -16.225 -3.004 1.00 0.00 N ATOM 607 CA SER A 38 9.449 -17.203 -2.395 1.00 0.00 C ATOM 608 C SER A 38 10.937 -16.797 -2.445 1.00 0.00 C ATOM 609 O SER A 38 11.306 -15.738 -2.952 1.00 0.00 O ATOM 610 CB SER A 38 9.243 -18.569 -3.080 1.00 0.00 C ATOM 611 OG SER A 38 7.888 -18.972 -3.016 1.00 0.00 O ATOM 0 H SER A 38 8.222 -16.504 -3.930 1.00 0.00 H new ATOM 0 HA SER A 38 9.195 -17.257 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.559 -18.508 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.872 -19.319 -2.600 1.00 0.00 H new ATOM 0 HG SER A 38 7.784 -19.840 -3.459 1.00 0.00 H new ATOM 617 N GLY A 39 11.744 -17.677 -1.852 1.00 0.00 N ATOM 618 CA GLY A 39 13.195 -17.622 -1.877 1.00 0.00 C ATOM 619 C GLY A 39 13.777 -18.880 -1.262 1.00 0.00 C ATOM 620 O GLY A 39 13.041 -19.847 -1.017 1.00 0.00 O ATOM 0 H GLY A 39 11.387 -18.473 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.545 -17.515 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.543 -16.746 -1.329 1.00 0.00 H new ATOM 624 N LYS A 40 15.081 -18.874 -0.960 1.00 0.00 N ATOM 625 CA LYS A 40 15.738 -20.011 -0.285 1.00 0.00 C ATOM 626 C LYS A 40 16.732 -19.471 0.756 1.00 0.00 C ATOM 627 O LYS A 40 17.433 -18.496 0.491 1.00 0.00 O ATOM 628 CB LYS A 40 16.394 -20.970 -1.336 1.00 0.00 C ATOM 629 CG LYS A 40 17.673 -20.474 -2.080 1.00 0.00 C ATOM 630 CD LYS A 40 18.998 -20.831 -1.346 1.00 0.00 C ATOM 631 CE LYS A 40 20.246 -20.477 -2.165 1.00 0.00 C ATOM 632 NZ LYS A 40 20.316 -21.220 -3.452 1.00 0.00 N ATOM 0 H LYS A 40 15.706 -18.096 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 40 15.003 -20.614 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.643 -21.902 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.641 -21.207 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.693 -20.908 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.615 -19.392 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.033 -20.304 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.007 -21.897 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.251 -19.406 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.137 -20.694 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.262 -21.104 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.135 -22.230 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.600 -20.847 -4.108 1.00 0.00 H new ATOM 646 N ARG A 41 16.768 -20.087 1.947 1.00 0.00 N ATOM 647 CA ARG A 41 17.620 -19.635 3.059 1.00 0.00 C ATOM 648 C ARG A 41 18.747 -20.640 3.292 1.00 0.00 C ATOM 649 O ARG A 41 18.498 -21.833 3.498 1.00 0.00 O ATOM 650 CB ARG A 41 16.810 -19.449 4.365 1.00 0.00 C ATOM 651 CG ARG A 41 17.630 -18.935 5.571 1.00 0.00 C ATOM 652 CD ARG A 41 16.787 -18.799 6.849 1.00 0.00 C ATOM 653 NE ARG A 41 15.652 -17.869 6.678 1.00 0.00 N ATOM 654 CZ ARG A 41 14.765 -17.548 7.634 1.00 0.00 C ATOM 655 NH1 ARG A 41 14.840 -18.081 8.853 1.00 0.00 N ATOM 656 NH2 ARG A 41 13.807 -16.672 7.364 1.00 0.00 N ATOM 0 H ARG A 41 16.209 -20.911 2.167 1.00 0.00 H new ATOM 0 HA ARG A 41 18.038 -18.667 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.995 -18.751 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.356 -20.403 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.459 -19.618 5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.065 -17.967 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.409 -19.780 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.421 -18.449 7.664 1.00 0.00 H new ATOM 0 HE ARG A 41 15.533 -17.437 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.581 -18.746 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.156 -17.824 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.749 -16.249 6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.128 -16.421 8.083 1.00 0.00 H new ATOM 670 N ASP A 42 19.966 -20.125 3.254 1.00 0.00 N ATOM 671 CA ASP A 42 21.188 -20.854 3.570 1.00 0.00 C ATOM 672 C ASP A 42 21.300 -21.052 5.088 1.00 0.00 C ATOM 673 O ASP A 42 21.429 -20.078 5.823 1.00 0.00 O ATOM 674 CB ASP A 42 22.367 -20.032 3.040 1.00 0.00 C ATOM 675 CG ASP A 42 23.724 -20.638 3.346 1.00 0.00 C ATOM 676 OD1 ASP A 42 24.136 -21.578 2.636 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.363 -20.191 4.313 1.00 0.00 O ATOM 0 H ASP A 42 20.140 -19.154 2.993 1.00 0.00 H new ATOM 0 HA ASP A 42 21.183 -21.841 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.264 -19.921 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.322 -19.031 3.469 1.00 0.00 H new ATOM 682 N LEU A 43 21.220 -22.302 5.541 1.00 0.00 N ATOM 683 CA LEU A 43 21.224 -22.652 6.976 1.00 0.00 C ATOM 684 C LEU A 43 22.631 -22.783 7.584 1.00 0.00 C ATOM 685 O LEU A 43 22.746 -23.022 8.794 1.00 0.00 O ATOM 686 CB LEU A 43 20.370 -23.930 7.204 1.00 0.00 C ATOM 687 CG LEU A 43 18.845 -23.734 6.932 1.00 0.00 C ATOM 688 CD1 LEU A 43 18.060 -25.040 7.128 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.283 -22.593 7.810 1.00 0.00 C ATOM 0 H LEU A 43 21.150 -23.112 4.925 1.00 0.00 H new ATOM 0 HA LEU A 43 20.773 -21.817 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.744 -24.724 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.505 -24.265 8.232 1.00 0.00 H new ATOM 0 HG LEU A 43 18.722 -23.449 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.003 -24.862 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.436 -25.797 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.183 -25.388 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.219 -22.469 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.427 -22.839 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.806 -21.665 7.580 1.00 0.00 H new ATOM 701 N THR A 44 23.706 -22.614 6.783 1.00 0.00 N ATOM 702 CA THR A 44 25.085 -22.684 7.334 1.00 0.00 C ATOM 703 C THR A 44 25.542 -21.301 7.849 1.00 0.00 C ATOM 704 O THR A 44 26.340 -21.227 8.787 1.00 0.00 O ATOM 705 CB THR A 44 26.130 -23.328 6.351 1.00 0.00 C ATOM 706 OG1 THR A 44 27.423 -23.445 6.982 1.00 0.00 O ATOM 707 CG2 THR A 44 26.281 -22.582 5.034 1.00 0.00 C ATOM 0 H THR A 44 23.654 -22.433 5.781 1.00 0.00 H new ATOM 0 HA THR A 44 25.043 -23.367 8.183 1.00 0.00 H new ATOM 0 HB THR A 44 25.732 -24.315 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 44 28.058 -23.849 6.354 1.00 0.00 H new ATOM 0 HG21 THR A 44 27.019 -23.088 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 44 25.322 -22.561 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 44 26.610 -21.561 5.230 1.00 0.00 H new ATOM 715 N ASN A 45 25.017 -20.205 7.258 1.00 0.00 N ATOM 716 CA ASN A 45 25.220 -18.832 7.793 1.00 0.00 C ATOM 717 C ASN A 45 23.920 -18.310 8.423 1.00 0.00 C ATOM 718 O ASN A 45 23.953 -17.519 9.373 1.00 0.00 O ATOM 719 CB ASN A 45 25.652 -17.838 6.677 1.00 0.00 C ATOM 720 CG ASN A 45 26.944 -18.234 5.966 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.044 -18.015 6.477 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.823 -18.749 4.755 1.00 0.00 N ATOM 0 H ASN A 45 24.450 -20.240 6.411 1.00 0.00 H new ATOM 0 HA ASN A 45 26.011 -18.895 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 24.852 -17.762 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.778 -16.847 7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.656 -18.978 4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.897 -18.917 4.363 1.00 0.00 H new ATOM 729 N GLY A 46 22.778 -18.763 7.877 1.00 0.00 N ATOM 730 CA GLY A 46 21.456 -18.256 8.279 1.00 0.00 C ATOM 731 C GLY A 46 20.974 -17.132 7.361 1.00 0.00 C ATOM 732 O GLY A 46 19.979 -16.463 7.657 1.00 0.00 O ATOM 0 H GLY A 46 22.745 -19.482 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.734 -19.072 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.503 -17.892 9.305 1.00 0.00 H new ATOM 736 N LYS A 47 21.676 -16.960 6.224 1.00 0.00 N ATOM 737 CA LYS A 47 21.457 -15.852 5.280 1.00 0.00 C ATOM 738 C LYS A 47 20.316 -16.205 4.293 1.00 0.00 C ATOM 739 O LYS A 47 20.145 -17.371 3.932 1.00 0.00 O ATOM 740 CB LYS A 47 22.792 -15.543 4.532 1.00 0.00 C ATOM 741 CG LYS A 47 23.307 -16.666 3.619 1.00 0.00 C ATOM 742 CD LYS A 47 24.712 -16.418 3.013 1.00 0.00 C ATOM 743 CE LYS A 47 24.807 -15.185 2.086 1.00 0.00 C ATOM 744 NZ LYS A 47 24.883 -13.888 2.829 1.00 0.00 N ATOM 0 H LYS A 47 22.419 -17.595 5.934 1.00 0.00 H new ATOM 0 HA LYS A 47 21.151 -14.958 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.653 -14.644 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 47 23.560 -15.317 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.331 -17.595 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.596 -16.809 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.428 -16.300 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.011 -17.302 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.688 -15.284 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.939 -15.167 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.025 -13.330 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 24.959 -14.076 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.718 -13.355 2.512 1.00 0.00 H new ATOM 758 N GLU A 48 19.528 -15.198 3.876 1.00 0.00 N ATOM 759 CA GLU A 48 18.384 -15.390 2.956 1.00 0.00 C ATOM 760 C GLU A 48 18.763 -14.950 1.539 1.00 0.00 C ATOM 761 O GLU A 48 19.135 -13.797 1.318 1.00 0.00 O ATOM 762 CB GLU A 48 17.152 -14.600 3.463 1.00 0.00 C ATOM 763 CG GLU A 48 16.626 -15.097 4.823 1.00 0.00 C ATOM 764 CD GLU A 48 15.356 -14.376 5.285 1.00 0.00 C ATOM 765 OE1 GLU A 48 15.461 -13.261 5.829 1.00 0.00 O ATOM 766 OE2 GLU A 48 14.249 -14.920 5.104 1.00 0.00 O ATOM 0 H GLU A 48 19.663 -14.229 4.164 1.00 0.00 H new ATOM 0 HA GLU A 48 18.127 -16.449 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.415 -13.545 3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.354 -14.672 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.424 -16.166 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.404 -14.965 5.575 1.00 0.00 H new ATOM 773 N ILE A 49 18.662 -15.882 0.590 1.00 0.00 N ATOM 774 CA ILE A 49 19.002 -15.657 -0.821 1.00 0.00 C ATOM 775 C ILE A 49 17.699 -15.437 -1.596 1.00 0.00 C ATOM 776 O ILE A 49 16.840 -16.332 -1.660 1.00 0.00 O ATOM 777 CB ILE A 49 19.821 -16.850 -1.467 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.221 -17.036 -0.777 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.993 -16.650 -3.001 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.191 -17.660 0.609 1.00 0.00 C ATOM 0 H ILE A 49 18.337 -16.830 0.780 1.00 0.00 H new ATOM 0 HA ILE A 49 19.650 -14.782 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 49 19.244 -17.760 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.845 -17.655 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.704 -16.061 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.559 -17.484 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.012 -16.606 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.529 -15.719 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.208 -17.743 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.600 -17.033 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.743 -18.652 0.552 1.00 0.00 H new ATOM 792 N TRP A 50 17.555 -14.230 -2.147 1.00 0.00 N ATOM 793 CA TRP A 50 16.417 -13.824 -2.972 1.00 0.00 C ATOM 794 C TRP A 50 16.876 -13.691 -4.428 1.00 0.00 C ATOM 795 O TRP A 50 18.072 -13.526 -4.695 1.00 0.00 O ATOM 796 CB TRP A 50 15.857 -12.482 -2.441 1.00 0.00 C ATOM 797 CG TRP A 50 15.523 -12.524 -0.964 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.240 -11.966 0.057 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.408 -13.191 -0.348 1.00 0.00 C ATOM 800 NE1 TRP A 50 15.643 -12.240 1.254 1.00 0.00 N ATOM 801 CE2 TRP A 50 14.517 -12.980 1.036 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.327 -13.935 -0.832 1.00 0.00 C ATOM 803 CZ2 TRP A 50 13.591 -13.486 1.940 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.410 -14.440 0.066 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.547 -14.212 1.438 1.00 0.00 C ATOM 0 H TRP A 50 18.246 -13.489 -2.028 1.00 0.00 H new ATOM 0 HA TRP A 50 15.625 -14.572 -2.924 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.587 -11.693 -2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 50 14.961 -12.220 -3.003 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.147 -11.392 -0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.985 -11.939 2.167 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.212 -14.111 -1.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.692 -13.312 3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.574 -15.020 -0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 50 11.812 -14.618 2.117 1.00 0.00 H new ATOM 816 N ASP A 51 15.926 -13.759 -5.364 1.00 0.00 N ATOM 817 CA ASP A 51 16.212 -13.688 -6.800 1.00 0.00 C ATOM 818 C ASP A 51 16.339 -12.210 -7.204 1.00 0.00 C ATOM 819 O ASP A 51 15.436 -11.421 -6.940 1.00 0.00 O ATOM 820 CB ASP A 51 15.087 -14.409 -7.587 1.00 0.00 C ATOM 821 CG ASP A 51 15.382 -14.552 -9.089 1.00 0.00 C ATOM 822 OD1 ASP A 51 15.036 -13.647 -9.862 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.960 -15.585 -9.501 1.00 0.00 O ATOM 0 H ASP A 51 14.935 -13.865 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 51 17.151 -14.190 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.933 -15.400 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.155 -13.858 -7.459 1.00 0.00 H new ATOM 828 N SER A 52 17.463 -11.840 -7.827 1.00 0.00 N ATOM 829 CA SER A 52 17.760 -10.437 -8.170 1.00 0.00 C ATOM 830 C SER A 52 16.895 -9.934 -9.347 1.00 0.00 C ATOM 831 O SER A 52 16.629 -8.734 -9.451 1.00 0.00 O ATOM 832 CB SER A 52 19.269 -10.274 -8.449 1.00 0.00 C ATOM 833 OG SER A 52 19.734 -11.236 -9.380 1.00 0.00 O ATOM 0 H SER A 52 18.191 -12.497 -8.108 1.00 0.00 H new ATOM 0 HA SER A 52 17.500 -9.811 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.463 -9.272 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.825 -10.371 -7.516 1.00 0.00 H new ATOM 0 HG SER A 52 20.692 -11.104 -9.536 1.00 0.00 H new ATOM 839 N LYS A 53 16.443 -10.863 -10.209 1.00 0.00 N ATOM 840 CA LYS A 53 15.551 -10.545 -11.348 1.00 0.00 C ATOM 841 C LYS A 53 14.080 -10.432 -10.879 1.00 0.00 C ATOM 842 O LYS A 53 13.222 -9.952 -11.627 1.00 0.00 O ATOM 843 CB LYS A 53 15.669 -11.649 -12.438 1.00 0.00 C ATOM 844 CG LYS A 53 17.111 -11.927 -12.922 1.00 0.00 C ATOM 845 CD LYS A 53 17.188 -13.068 -13.965 1.00 0.00 C ATOM 846 CE LYS A 53 18.638 -13.427 -14.344 1.00 0.00 C ATOM 847 NZ LYS A 53 19.397 -13.966 -13.182 1.00 0.00 N ATOM 0 H LYS A 53 16.682 -11.852 -10.140 1.00 0.00 H new ATOM 0 HA LYS A 53 15.858 -9.586 -11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.247 -12.574 -12.046 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.062 -11.360 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.525 -11.017 -13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.733 -12.183 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.690 -13.953 -13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.644 -12.772 -14.862 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.632 -14.164 -15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.143 -12.541 -14.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.291 -14.382 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.601 -13.196 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.831 -14.697 -12.706 1.00 0.00 H new ATOM 861 N TRP A 54 13.812 -10.895 -9.643 1.00 0.00 N ATOM 862 CA TRP A 54 12.468 -10.898 -9.033 1.00 0.00 C ATOM 863 C TRP A 54 11.987 -9.467 -8.712 1.00 0.00 C ATOM 864 O TRP A 54 12.734 -8.640 -8.172 1.00 0.00 O ATOM 865 CB TRP A 54 12.493 -11.814 -7.770 1.00 0.00 C ATOM 866 CG TRP A 54 11.389 -11.650 -6.749 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.033 -11.634 -6.952 1.00 0.00 C ATOM 868 CD2 TRP A 54 11.578 -11.521 -5.336 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.386 -11.489 -5.756 1.00 0.00 N ATOM 870 CE2 TRP A 54 10.313 -11.425 -4.752 1.00 0.00 C ATOM 871 CE3 TRP A 54 12.702 -11.481 -4.512 1.00 0.00 C ATOM 872 CZ2 TRP A 54 10.135 -11.287 -3.382 1.00 0.00 C ATOM 873 CZ3 TRP A 54 12.525 -11.347 -3.152 1.00 0.00 C ATOM 874 CH2 TRP A 54 11.252 -11.258 -2.597 1.00 0.00 C ATOM 0 H TRP A 54 14.531 -11.282 -9.032 1.00 0.00 H new ATOM 0 HA TRP A 54 11.745 -11.300 -9.743 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.482 -12.850 -8.109 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.444 -11.655 -7.261 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.548 -11.723 -7.913 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.375 -11.437 -5.632 1.00 0.00 H new ATOM 0 HE3 TRP A 54 13.694 -11.554 -4.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.148 -11.205 -2.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 13.389 -11.310 -2.506 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.146 -11.164 -1.526 1.00 0.00 H new ATOM 885 N SER A 55 10.725 -9.220 -9.078 1.00 0.00 N ATOM 886 CA SER A 55 9.973 -8.013 -8.759 1.00 0.00 C ATOM 887 C SER A 55 8.492 -8.393 -8.718 1.00 0.00 C ATOM 888 O SER A 55 7.959 -8.914 -9.705 1.00 0.00 O ATOM 889 CB SER A 55 10.237 -6.911 -9.812 1.00 0.00 C ATOM 890 OG SER A 55 9.970 -7.362 -11.140 1.00 0.00 O ATOM 0 H SER A 55 10.182 -9.886 -9.627 1.00 0.00 H new ATOM 0 HA SER A 55 10.284 -7.611 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.615 -6.044 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.275 -6.585 -9.742 1.00 0.00 H new ATOM 0 HG SER A 55 9.270 -8.047 -11.118 1.00 0.00 H new ATOM 896 N LEU A 56 7.844 -8.167 -7.576 1.00 0.00 N ATOM 897 CA LEU A 56 6.436 -8.533 -7.371 1.00 0.00 C ATOM 898 C LEU A 56 5.596 -7.262 -7.581 1.00 0.00 C ATOM 899 O LEU A 56 5.876 -6.238 -6.958 1.00 0.00 O ATOM 900 CB LEU A 56 6.251 -9.142 -5.933 1.00 0.00 C ATOM 901 CG LEU A 56 5.096 -10.197 -5.742 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.678 -9.586 -5.901 1.00 0.00 C ATOM 903 CD2 LEU A 56 5.295 -11.405 -6.695 1.00 0.00 C ATOM 0 H LEU A 56 8.277 -7.725 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 56 6.110 -9.296 -8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.190 -9.612 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.077 -8.321 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 56 5.160 -10.547 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.928 -10.364 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.534 -8.802 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.574 -9.162 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.487 -12.122 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.288 -11.058 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.250 -11.885 -6.480 1.00 0.00 H new ATOM 915 N THR A 57 4.610 -7.314 -8.484 1.00 0.00 N ATOM 916 CA THR A 57 3.682 -6.200 -8.713 1.00 0.00 C ATOM 917 C THR A 57 2.291 -6.582 -8.195 1.00 0.00 C ATOM 918 O THR A 57 1.771 -7.661 -8.520 1.00 0.00 O ATOM 919 CB THR A 57 3.597 -5.826 -10.228 1.00 0.00 C ATOM 920 OG1 THR A 57 4.923 -5.596 -10.738 1.00 0.00 O ATOM 921 CG2 THR A 57 2.720 -4.577 -10.477 1.00 0.00 C ATOM 0 H THR A 57 4.433 -8.126 -9.075 1.00 0.00 H new ATOM 0 HA THR A 57 4.056 -5.329 -8.174 1.00 0.00 H new ATOM 0 HB THR A 57 3.128 -6.661 -10.749 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.135 -4.641 -10.678 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.693 -4.358 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.708 -4.766 -10.119 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.140 -3.725 -9.943 1.00 0.00 H new ATOM 929 N GLN A 58 1.702 -5.697 -7.390 1.00 0.00 N ATOM 930 CA GLN A 58 0.325 -5.831 -6.902 1.00 0.00 C ATOM 931 C GLN A 58 -0.382 -4.498 -7.189 1.00 0.00 C ATOM 932 O GLN A 58 0.253 -3.440 -7.111 1.00 0.00 O ATOM 933 CB GLN A 58 0.313 -6.172 -5.381 1.00 0.00 C ATOM 934 CG GLN A 58 -0.952 -6.899 -4.888 1.00 0.00 C ATOM 935 CD GLN A 58 -1.074 -8.342 -5.397 1.00 0.00 C ATOM 936 OE1 GLN A 58 0.046 -9.056 -5.516 1.00 0.00 O flip ATOM 937 NE2 GLN A 58 -2.176 -8.826 -5.645 1.00 0.00 N flip ATOM 0 H GLN A 58 2.171 -4.856 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.194 -6.647 -7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.181 -6.792 -5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.426 -5.247 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.954 -6.906 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.830 -6.336 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.017 -8.257 -5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.250 -9.796 -5.950 1.00 0.00 H new ATOM 946 N THR A 59 -1.678 -4.539 -7.511 1.00 0.00 N ATOM 947 CA THR A 59 -2.418 -3.362 -7.995 1.00 0.00 C ATOM 948 C THR A 59 -3.472 -2.894 -6.965 1.00 0.00 C ATOM 949 O THR A 59 -4.349 -3.678 -6.575 1.00 0.00 O ATOM 950 CB THR A 59 -3.116 -3.715 -9.352 1.00 0.00 C ATOM 951 OG1 THR A 59 -2.157 -4.320 -10.237 1.00 0.00 O ATOM 952 CG2 THR A 59 -3.726 -2.481 -10.035 1.00 0.00 C ATOM 0 H THR A 59 -2.245 -5.384 -7.445 1.00 0.00 H new ATOM 0 HA THR A 59 -1.711 -2.545 -8.140 1.00 0.00 H new ATOM 0 HB THR A 59 -3.930 -4.406 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.591 -4.544 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.198 -2.779 -10.971 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.473 -2.034 -9.379 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.941 -1.753 -10.240 1.00 0.00 H new ATOM 960 N PHE A 60 -3.342 -1.629 -6.495 1.00 0.00 N ATOM 961 CA PHE A 60 -4.419 -0.921 -5.775 1.00 0.00 C ATOM 962 C PHE A 60 -5.598 -0.697 -6.735 1.00 0.00 C ATOM 963 O PHE A 60 -5.388 -0.335 -7.895 1.00 0.00 O ATOM 964 CB PHE A 60 -3.949 0.462 -5.225 1.00 0.00 C ATOM 965 CG PHE A 60 -3.054 0.434 -3.990 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.567 0.059 -2.750 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.713 0.806 -4.056 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.764 0.052 -1.624 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.915 0.802 -2.930 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.441 0.424 -1.717 1.00 0.00 C ATOM 0 H PHE A 60 -2.491 -1.077 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.713 -1.538 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.416 0.983 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.833 1.055 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.604 -0.230 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.291 1.103 -5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.175 -0.246 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.122 1.096 -3.001 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.816 0.419 -0.836 1.00 0.00 H new ATOM 980 N GLU A 61 -6.816 -0.938 -6.240 1.00 0.00 N ATOM 981 CA GLU A 61 -8.063 -0.730 -6.999 1.00 0.00 C ATOM 982 C GLU A 61 -9.267 -0.877 -6.066 1.00 0.00 C ATOM 983 O GLU A 61 -10.223 -0.105 -6.143 1.00 0.00 O ATOM 984 CB GLU A 61 -8.166 -1.724 -8.194 1.00 0.00 C ATOM 985 CG GLU A 61 -7.989 -3.208 -7.805 1.00 0.00 C ATOM 986 CD GLU A 61 -7.981 -4.143 -9.008 1.00 0.00 C ATOM 987 OE1 GLU A 61 -7.001 -4.111 -9.776 1.00 0.00 O ATOM 988 OE2 GLU A 61 -8.955 -4.904 -9.207 1.00 0.00 O ATOM 0 H GLU A 61 -6.970 -1.286 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.055 0.279 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.138 -1.599 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.411 -1.462 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.055 -3.325 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.794 -3.500 -7.131 1.00 0.00 H new ATOM 995 N ALA A 62 -9.206 -1.877 -5.181 1.00 0.00 N ATOM 996 CA ALA A 62 -10.271 -2.152 -4.217 1.00 0.00 C ATOM 997 C ALA A 62 -10.163 -1.179 -3.030 1.00 0.00 C ATOM 998 O ALA A 62 -9.490 -1.462 -2.035 1.00 0.00 O ATOM 999 CB ALA A 62 -10.200 -3.625 -3.774 1.00 0.00 C ATOM 0 H ALA A 62 -8.415 -2.518 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.246 -1.995 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.994 -3.828 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.322 -4.272 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.233 -3.819 -3.310 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.776 0.004 -3.188 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.813 1.041 -2.154 1.00 0.00 C ATOM 1007 C LEU A 63 -12.189 1.746 -2.230 1.00 0.00 C ATOM 1008 O LEU A 63 -12.469 2.433 -3.216 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.619 2.042 -2.333 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.349 3.076 -1.166 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -10.342 4.257 -1.155 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.310 2.372 0.198 1.00 0.00 C ATOM 0 H LEU A 63 -11.263 0.267 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.696 0.601 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.711 1.458 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.789 2.607 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.367 3.507 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.100 4.928 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.272 4.800 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.356 3.878 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.123 3.106 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.266 1.881 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.514 1.628 0.201 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.066 1.589 -1.187 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.346 2.318 -1.080 1.00 0.00 C ATOM 1026 C PRO A 64 -14.198 3.615 -0.258 1.00 0.00 C ATOM 1027 O PRO A 64 -13.126 3.901 0.283 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.221 1.279 -0.354 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.279 0.612 0.607 1.00 0.00 C ATOM 1030 CD PRO A 64 -12.893 0.674 -0.025 1.00 0.00 C ATOM 0 HA PRO A 64 -14.750 2.654 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.052 1.753 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.651 0.562 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.287 1.119 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.577 -0.421 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.151 1.056 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.554 -0.313 -0.341 1.00 0.00 H new ATOM 1038 N SER A 65 -15.288 4.368 -0.119 1.00 0.00 N ATOM 1039 CA SER A 65 -15.261 5.672 0.558 1.00 0.00 C ATOM 1040 C SER A 65 -16.677 6.059 1.024 1.00 0.00 C ATOM 1041 O SER A 65 -17.661 5.612 0.416 1.00 0.00 O ATOM 1042 CB SER A 65 -14.686 6.718 -0.422 1.00 0.00 C ATOM 1043 OG SER A 65 -14.544 7.988 0.169 1.00 0.00 O ATOM 0 H SER A 65 -16.208 4.099 -0.467 1.00 0.00 H new ATOM 0 HA SER A 65 -14.629 5.626 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.715 6.378 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.340 6.796 -1.291 1.00 0.00 H new ATOM 0 HG SER A 65 -13.661 8.057 0.588 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.819 6.863 2.129 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.127 7.397 2.541 1.00 0.00 C ATOM 1051 C PRO A 66 -18.610 8.475 1.550 1.00 0.00 C ATOM 1052 O PRO A 66 -17.955 9.514 1.380 1.00 0.00 O ATOM 1053 CB PRO A 66 -17.836 7.993 3.945 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.384 8.353 3.914 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.735 7.288 3.062 1.00 0.00 C ATOM 0 HA PRO A 66 -18.920 6.649 2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.456 8.868 4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.048 7.270 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.232 9.345 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.960 8.368 4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.873 7.679 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.379 6.454 3.667 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.750 8.217 0.892 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.371 9.186 -0.011 1.00 0.00 C ATOM 1065 C VAL A 67 -21.072 10.242 0.843 1.00 0.00 C ATOM 1066 O VAL A 67 -22.087 9.953 1.480 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.385 8.506 -1.004 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.069 9.556 -1.922 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.678 7.402 -1.834 1.00 0.00 C ATOM 0 H VAL A 67 -20.260 7.338 0.972 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.600 9.645 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.171 8.034 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.763 9.053 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.614 10.275 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.311 10.078 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.395 6.943 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.864 7.844 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.278 6.642 -1.163 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.500 11.447 0.889 1.00 0.00 N ATOM 1080 CA ILE A 68 -20.983 12.524 1.756 1.00 0.00 C ATOM 1081 C ILE A 68 -21.786 13.534 0.927 1.00 0.00 C ATOM 1082 O ILE A 68 -21.239 14.190 0.036 1.00 0.00 O ATOM 1083 CB ILE A 68 -19.792 13.228 2.500 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -18.950 12.184 3.305 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.316 14.339 3.427 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -17.816 12.765 4.128 1.00 0.00 C ATOM 0 H ILE A 68 -19.689 11.704 0.326 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.635 12.095 2.517 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.142 13.685 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.618 11.638 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -18.535 11.459 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.477 14.816 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -20.853 15.082 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -20.990 13.908 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.294 11.961 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.119 13.285 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.219 13.467 4.858 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.087 13.652 1.243 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.016 14.528 0.522 1.00 0.00 C ATOM 1100 C ILE A 69 -23.825 15.969 1.018 1.00 0.00 C ATOM 1101 O ILE A 69 -23.608 16.197 2.216 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.509 14.052 0.717 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -25.693 12.568 0.236 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.525 14.988 0.008 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.390 12.313 -1.241 1.00 0.00 C ATOM 0 H ILE A 69 -23.522 13.139 2.010 1.00 0.00 H new ATOM 0 HA ILE A 69 -23.802 14.483 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.719 14.101 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.048 11.927 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.721 12.264 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.537 14.618 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.437 15.995 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.315 15.009 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.548 11.259 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.052 12.920 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.354 12.578 -1.451 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.873 16.924 0.079 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.585 18.325 0.369 1.00 0.00 C ATOM 1119 C GLY A 70 -22.105 18.626 0.342 1.00 0.00 C ATOM 1120 O GLY A 70 -21.695 19.746 0.652 1.00 0.00 O ATOM 0 H GLY A 70 -24.112 16.743 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.095 18.956 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.987 18.580 1.349 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.291 17.607 -0.011 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.830 17.721 -0.134 1.00 0.00 C ATOM 1126 C TYR A 71 -19.353 17.002 -1.391 1.00 0.00 C ATOM 1127 O TYR A 71 -20.132 16.319 -2.061 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.103 17.165 1.119 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.342 17.993 2.383 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -20.448 17.765 3.189 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -18.477 19.023 2.761 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -20.685 18.513 4.314 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -18.713 19.781 3.893 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.820 19.519 4.669 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.066 20.257 5.808 1.00 0.00 O ATOM 0 H TYR A 71 -21.640 16.672 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.583 18.780 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.434 16.142 1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.032 17.123 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -21.140 16.979 2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.606 19.231 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -21.554 18.310 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -18.033 20.574 4.167 1.00 0.00 H new ATOM 0 HH TYR A 71 -19.362 20.929 5.921 1.00 0.00 H new ATOM 1145 N THR A 72 -18.066 17.194 -1.696 1.00 0.00 N ATOM 1146 CA THR A 72 -17.397 16.672 -2.883 1.00 0.00 C ATOM 1147 C THR A 72 -15.892 16.650 -2.574 1.00 0.00 C ATOM 1148 O THR A 72 -15.265 17.710 -2.417 1.00 0.00 O ATOM 1149 CB THR A 72 -17.695 17.545 -4.166 1.00 0.00 C ATOM 1150 OG1 THR A 72 -19.107 17.539 -4.450 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.948 17.047 -5.418 1.00 0.00 C ATOM 0 H THR A 72 -17.442 17.737 -1.099 1.00 0.00 H new ATOM 0 HA THR A 72 -17.768 15.672 -3.109 1.00 0.00 H new ATOM 0 HB THR A 72 -17.344 18.552 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.283 18.084 -5.245 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.193 17.686 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.874 17.079 -5.238 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.248 16.022 -5.637 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.342 15.437 -2.408 1.00 0.00 N ATOM 1160 CA ALA A 73 -13.919 15.224 -2.125 1.00 0.00 C ATOM 1161 C ALA A 73 -13.053 15.579 -3.336 1.00 0.00 C ATOM 1162 O ALA A 73 -13.486 15.448 -4.495 1.00 0.00 O ATOM 1163 CB ALA A 73 -13.677 13.771 -1.715 1.00 0.00 C ATOM 0 H ALA A 73 -15.879 14.572 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.636 15.882 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.617 13.623 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.257 13.544 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.984 13.109 -2.525 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.815 16.001 -3.051 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.812 16.324 -4.078 1.00 0.00 C ATOM 1171 C ASP A 74 -10.280 15.032 -4.726 1.00 0.00 C ATOM 1172 O ASP A 74 -9.671 15.076 -5.785 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.670 17.177 -3.461 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.774 16.456 -2.444 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.264 15.582 -1.705 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -7.571 16.784 -2.367 1.00 0.00 O ATOM 0 H ASP A 74 -11.477 16.129 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.277 16.918 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.042 17.550 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.113 18.046 -2.975 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.459 13.902 -4.017 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.465 12.558 -4.596 1.00 0.00 C ATOM 1183 C LYS A 75 -11.367 11.665 -3.716 1.00 0.00 C ATOM 1184 O LYS A 75 -10.955 11.240 -2.643 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.034 11.940 -4.798 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.110 11.842 -3.550 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.435 13.168 -3.154 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.521 13.718 -4.253 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.830 14.963 -3.827 1.00 0.00 N ATOM 0 H LYS A 75 -10.606 13.904 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.865 12.622 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.156 10.936 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.516 12.531 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.697 11.481 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.337 11.098 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.202 13.906 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.853 13.017 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.780 12.965 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.109 13.918 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.473 15.466 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.499 15.574 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.034 14.722 -3.202 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.647 11.375 -4.135 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.544 10.462 -3.371 1.00 0.00 C ATOM 1205 C PRO A 76 -13.087 8.989 -3.411 1.00 0.00 C ATOM 1206 O PRO A 76 -13.762 8.126 -2.872 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.924 10.664 -4.053 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.600 11.106 -5.447 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.330 11.925 -5.342 1.00 0.00 C ATOM 0 HA PRO A 76 -13.554 10.693 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.503 9.741 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.519 11.412 -3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.458 10.249 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.413 11.699 -5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.712 11.820 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.548 12.987 -5.229 1.00 0.00 H new ATOM 1217 N MET A 77 -11.970 8.715 -4.101 1.00 0.00 N ATOM 1218 CA MET A 77 -11.324 7.402 -4.113 1.00 0.00 C ATOM 1219 C MET A 77 -9.810 7.574 -4.328 1.00 0.00 C ATOM 1220 O MET A 77 -9.397 8.397 -5.158 1.00 0.00 O ATOM 1221 CB MET A 77 -11.955 6.552 -5.242 1.00 0.00 C ATOM 1222 CG MET A 77 -11.501 5.093 -5.311 1.00 0.00 C ATOM 1223 SD MET A 77 -12.289 4.236 -6.689 1.00 0.00 S ATOM 1224 CE MET A 77 -11.771 2.546 -6.435 1.00 0.00 C ATOM 0 H MET A 77 -11.487 9.409 -4.672 1.00 0.00 H new ATOM 0 HA MET A 77 -11.473 6.893 -3.161 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.038 6.570 -5.122 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.732 7.028 -6.197 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.418 5.050 -5.423 1.00 0.00 H new ATOM 0 HG3 MET A 77 -11.745 4.588 -4.376 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.773 2.018 -7.388 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.765 2.533 -6.015 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.458 2.054 -5.747 1.00 0.00 H new ATOM 1234 N VAL A 78 -8.987 6.826 -3.566 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.555 6.609 -3.887 1.00 0.00 C ATOM 1236 C VAL A 78 -7.319 5.094 -4.031 1.00 0.00 C ATOM 1237 O VAL A 78 -7.277 4.375 -3.036 1.00 0.00 O ATOM 1238 CB VAL A 78 -6.570 7.192 -2.799 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -5.097 6.909 -3.172 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -6.798 8.699 -2.568 1.00 0.00 C ATOM 0 H VAL A 78 -9.291 6.356 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.340 7.143 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.788 6.681 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.442 7.322 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.940 5.833 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.869 7.373 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.101 9.061 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.635 9.239 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.820 8.864 -2.227 1.00 0.00 H new ATOM 1250 N GLY A 79 -7.118 4.633 -5.266 1.00 0.00 N ATOM 1251 CA GLY A 79 -7.002 3.209 -5.561 1.00 0.00 C ATOM 1252 C GLY A 79 -6.217 2.970 -6.846 1.00 0.00 C ATOM 1253 O GLY A 79 -4.987 3.002 -6.788 1.00 0.00 O ATOM 0 H GLY A 79 -7.032 5.235 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.508 2.703 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.997 2.773 -5.654 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.923 2.794 -8.030 1.00 0.00 N ATOM 1258 CA PRO A 80 -6.339 2.335 -9.329 1.00 0.00 C ATOM 1259 C PRO A 80 -4.885 2.790 -9.619 1.00 0.00 C ATOM 1260 O PRO A 80 -4.648 3.903 -10.110 1.00 0.00 O ATOM 1261 CB PRO A 80 -7.349 2.897 -10.362 1.00 0.00 C ATOM 1262 CG PRO A 80 -8.671 2.769 -9.671 1.00 0.00 C ATOM 1263 CD PRO A 80 -8.392 3.042 -8.193 1.00 0.00 C ATOM 0 HA PRO A 80 -6.222 1.251 -9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.128 3.934 -10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.327 2.330 -11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.393 3.481 -10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.092 1.774 -9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.653 4.065 -7.923 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.978 2.384 -7.551 1.00 0.00 H new ATOM 1271 N ASP A 81 -3.930 1.908 -9.258 1.00 0.00 N ATOM 1272 CA ASP A 81 -2.487 2.139 -9.403 1.00 0.00 C ATOM 1273 C ASP A 81 -1.738 0.820 -9.168 1.00 0.00 C ATOM 1274 O ASP A 81 -1.933 0.174 -8.136 1.00 0.00 O ATOM 1275 CB ASP A 81 -1.993 3.205 -8.383 1.00 0.00 C ATOM 1276 CG ASP A 81 -0.486 3.514 -8.500 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -0.105 4.388 -9.303 1.00 0.00 O ATOM 1278 OD2 ASP A 81 0.329 2.879 -7.789 1.00 0.00 O ATOM 0 H ASP A 81 -4.150 0.999 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.290 2.507 -10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.557 4.126 -8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.207 2.857 -7.373 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.883 0.438 -10.128 1.00 0.00 N ATOM 1284 CA GLU A 82 0.011 -0.726 -9.994 1.00 0.00 C ATOM 1285 C GLU A 82 1.268 -0.317 -9.211 1.00 0.00 C ATOM 1286 O GLU A 82 1.962 0.615 -9.620 1.00 0.00 O ATOM 1287 CB GLU A 82 0.430 -1.260 -11.390 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.735 -1.725 -12.289 1.00 0.00 C ATOM 1289 CD GLU A 82 -0.280 -2.083 -13.715 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -0.158 -1.166 -14.556 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -0.027 -3.274 -14.007 1.00 0.00 O ATOM 0 H GLU A 82 -0.790 0.926 -11.019 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.522 -1.514 -9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.981 -0.477 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.117 -2.095 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.213 -2.593 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.486 -0.937 -12.339 1.00 0.00 H new ATOM 1298 N VAL A 83 1.529 -0.989 -8.079 1.00 0.00 N ATOM 1299 CA VAL A 83 2.784 -0.847 -7.311 1.00 0.00 C ATOM 1300 C VAL A 83 3.685 -2.061 -7.577 1.00 0.00 C ATOM 1301 O VAL A 83 3.266 -3.193 -7.369 1.00 0.00 O ATOM 1302 CB VAL A 83 2.514 -0.725 -5.758 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.839 -0.706 -4.953 1.00 0.00 C ATOM 1304 CG2 VAL A 83 1.675 0.527 -5.446 1.00 0.00 C ATOM 0 H VAL A 83 0.873 -1.652 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 83 3.274 0.070 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 83 1.949 -1.605 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.617 -0.621 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.390 -1.629 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.443 0.145 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.502 0.590 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.210 1.416 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.718 0.463 -5.965 1.00 0.00 H new ATOM 1314 N THR A 84 4.910 -1.814 -8.054 1.00 0.00 N ATOM 1315 CA THR A 84 5.954 -2.836 -8.183 1.00 0.00 C ATOM 1316 C THR A 84 6.961 -2.660 -7.038 1.00 0.00 C ATOM 1317 O THR A 84 7.389 -1.533 -6.758 1.00 0.00 O ATOM 1318 CB THR A 84 6.697 -2.715 -9.556 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.746 -2.767 -10.636 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.744 -3.834 -9.751 1.00 0.00 C ATOM 0 H THR A 84 5.207 -0.889 -8.365 1.00 0.00 H new ATOM 0 HA THR A 84 5.490 -3.821 -8.135 1.00 0.00 H new ATOM 0 HB THR A 84 7.219 -1.758 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.218 -2.689 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.234 -3.710 -10.717 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.488 -3.778 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.250 -4.805 -9.717 1.00 0.00 H new ATOM 1328 N VAL A 85 7.284 -3.760 -6.354 1.00 0.00 N ATOM 1329 CA VAL A 85 8.349 -3.816 -5.349 1.00 0.00 C ATOM 1330 C VAL A 85 9.369 -4.877 -5.794 1.00 0.00 C ATOM 1331 O VAL A 85 9.053 -6.072 -5.830 1.00 0.00 O ATOM 1332 CB VAL A 85 7.779 -4.160 -3.917 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.887 -4.116 -2.846 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.618 -3.219 -3.534 1.00 0.00 C ATOM 0 H VAL A 85 6.805 -4.651 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 85 8.826 -2.839 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 85 7.390 -5.177 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.461 -4.357 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.661 -4.842 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.323 -3.117 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.248 -3.482 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.972 -2.188 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.812 -3.321 -4.261 1.00 0.00 H new ATOM 1344 N ASP A 86 10.577 -4.423 -6.148 1.00 0.00 N ATOM 1345 CA ASP A 86 11.676 -5.290 -6.617 1.00 0.00 C ATOM 1346 C ASP A 86 12.352 -5.939 -5.415 1.00 0.00 C ATOM 1347 O ASP A 86 12.188 -5.453 -4.304 1.00 0.00 O ATOM 1348 CB ASP A 86 12.741 -4.463 -7.388 1.00 0.00 C ATOM 1349 CG ASP A 86 12.179 -3.718 -8.596 1.00 0.00 C ATOM 1350 OD1 ASP A 86 11.498 -2.700 -8.396 1.00 0.00 O ATOM 1351 OD2 ASP A 86 12.428 -4.129 -9.746 1.00 0.00 O ATOM 0 H ASP A 86 10.826 -3.434 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 86 11.257 -6.046 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.194 -3.743 -6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.536 -5.130 -7.721 1.00 0.00 H new ATOM 1356 N SER A 87 13.153 -6.989 -5.665 1.00 0.00 N ATOM 1357 CA SER A 87 14.061 -7.582 -4.660 1.00 0.00 C ATOM 1358 C SER A 87 14.992 -6.497 -4.068 1.00 0.00 C ATOM 1359 O SER A 87 15.282 -6.492 -2.862 1.00 0.00 O ATOM 1360 CB SER A 87 14.881 -8.714 -5.318 1.00 0.00 C ATOM 1361 OG SER A 87 15.499 -8.273 -6.526 1.00 0.00 O ATOM 0 H SER A 87 13.191 -7.454 -6.572 1.00 0.00 H new ATOM 0 HA SER A 87 13.475 -8.000 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.645 -9.064 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.230 -9.562 -5.529 1.00 0.00 H new ATOM 0 HG SER A 87 14.855 -8.331 -7.263 1.00 0.00 H new ATOM 1367 N LYS A 88 15.391 -5.563 -4.958 1.00 0.00 N ATOM 1368 CA LYS A 88 16.208 -4.375 -4.641 1.00 0.00 C ATOM 1369 C LYS A 88 15.683 -3.613 -3.410 1.00 0.00 C ATOM 1370 O LYS A 88 16.458 -3.266 -2.514 1.00 0.00 O ATOM 1371 CB LYS A 88 16.206 -3.418 -5.862 1.00 0.00 C ATOM 1372 CG LYS A 88 16.755 -4.039 -7.164 1.00 0.00 C ATOM 1373 CD LYS A 88 16.648 -3.104 -8.401 1.00 0.00 C ATOM 1374 CE LYS A 88 17.579 -1.871 -8.349 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.188 -0.862 -7.319 1.00 0.00 N ATOM 0 H LYS A 88 15.145 -5.618 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 88 17.216 -4.721 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.186 -3.078 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.798 -2.536 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.800 -4.309 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.214 -4.962 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.877 -3.680 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.617 -2.763 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.597 -2.205 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.587 -1.392 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.283 0.094 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.201 -1.022 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.808 -0.955 -6.489 1.00 0.00 H new ATOM 1389 N ASN A 89 14.367 -3.336 -3.408 1.00 0.00 N ATOM 1390 CA ASN A 89 13.694 -2.575 -2.341 1.00 0.00 C ATOM 1391 C ASN A 89 12.601 -3.410 -1.653 1.00 0.00 C ATOM 1392 O ASN A 89 11.695 -2.849 -1.047 1.00 0.00 O ATOM 1393 CB ASN A 89 13.119 -1.236 -2.897 1.00 0.00 C ATOM 1394 CG ASN A 89 12.022 -1.400 -3.960 1.00 0.00 C ATOM 1395 OD1 ASN A 89 12.035 -2.334 -4.760 1.00 0.00 O ATOM 1396 ND2 ASN A 89 11.063 -0.491 -3.969 1.00 0.00 N ATOM 0 H ASN A 89 13.737 -3.636 -4.152 1.00 0.00 H new ATOM 0 HA ASN A 89 14.439 -2.334 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.717 -0.656 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.936 -0.655 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.308 -0.553 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.078 0.273 -3.293 1.00 0.00 H new ATOM 1403 N PHE A 90 12.699 -4.752 -1.708 1.00 0.00 N ATOM 1404 CA PHE A 90 11.677 -5.645 -1.103 1.00 0.00 C ATOM 1405 C PHE A 90 11.809 -5.682 0.430 1.00 0.00 C ATOM 1406 O PHE A 90 10.873 -6.060 1.136 1.00 0.00 O ATOM 1407 CB PHE A 90 11.737 -7.076 -1.711 1.00 0.00 C ATOM 1408 CG PHE A 90 10.418 -7.844 -1.571 1.00 0.00 C ATOM 1409 CD1 PHE A 90 9.423 -7.762 -2.555 1.00 0.00 C ATOM 1410 CD2 PHE A 90 10.155 -8.611 -0.443 1.00 0.00 C ATOM 1411 CE1 PHE A 90 8.222 -8.434 -2.404 1.00 0.00 C ATOM 1412 CE2 PHE A 90 8.959 -9.278 -0.293 1.00 0.00 C ATOM 1413 CZ PHE A 90 7.991 -9.190 -1.271 1.00 0.00 C ATOM 0 H PHE A 90 13.469 -5.245 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 90 10.697 -5.231 -1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.999 -7.005 -2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.532 -7.639 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.595 -7.168 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.903 -8.686 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.466 -8.367 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.779 -9.871 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.053 -9.712 -1.151 1.00 0.00 H new ATOM 1423 N LEU A 91 12.983 -5.293 0.924 1.00 0.00 N ATOM 1424 CA LEU A 91 13.264 -5.176 2.362 1.00 0.00 C ATOM 1425 C LEU A 91 12.943 -3.738 2.827 1.00 0.00 C ATOM 1426 O LEU A 91 12.822 -3.468 4.028 1.00 0.00 O ATOM 1427 CB LEU A 91 14.744 -5.562 2.664 1.00 0.00 C ATOM 1428 CG LEU A 91 15.199 -7.019 2.272 1.00 0.00 C ATOM 1429 CD1 LEU A 91 14.269 -8.070 2.889 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.336 -7.222 0.737 1.00 0.00 C ATOM 0 H LEU A 91 13.778 -5.046 0.334 1.00 0.00 H new ATOM 0 HA LEU A 91 12.632 -5.869 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.391 -4.854 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.917 -5.429 3.732 1.00 0.00 H new ATOM 0 HG LEU A 91 16.198 -7.153 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.605 -9.066 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.287 -7.979 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.252 -7.913 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.652 -8.245 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.375 -7.036 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.078 -6.527 0.343 1.00 0.00 H new ATOM 1442 N ASP A 92 12.825 -2.820 1.843 1.00 0.00 N ATOM 1443 CA ASP A 92 12.302 -1.459 2.040 1.00 0.00 C ATOM 1444 C ASP A 92 10.779 -1.458 1.851 1.00 0.00 C ATOM 1445 O ASP A 92 10.215 -2.365 1.228 1.00 0.00 O ATOM 1446 CB ASP A 92 12.933 -0.463 1.026 1.00 0.00 C ATOM 1447 CG ASP A 92 14.443 -0.298 1.209 1.00 0.00 C ATOM 1448 OD1 ASP A 92 14.868 0.464 2.107 1.00 0.00 O ATOM 1449 OD2 ASP A 92 15.218 -0.936 0.472 1.00 0.00 O ATOM 0 H ASP A 92 13.095 -3.011 0.878 1.00 0.00 H new ATOM 0 HA ASP A 92 12.559 -1.143 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.731 -0.809 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.452 0.509 1.133 1.00 0.00 H new ATOM 1454 N LYS A 93 10.124 -0.421 2.369 1.00 0.00 N ATOM 1455 CA LYS A 93 8.684 -0.184 2.168 1.00 0.00 C ATOM 1456 C LYS A 93 8.488 1.068 1.297 1.00 0.00 C ATOM 1457 O LYS A 93 9.396 1.897 1.175 1.00 0.00 O ATOM 1458 CB LYS A 93 7.978 -0.036 3.540 1.00 0.00 C ATOM 1459 CG LYS A 93 8.532 1.091 4.438 1.00 0.00 C ATOM 1460 CD LYS A 93 7.799 1.183 5.796 1.00 0.00 C ATOM 1461 CE LYS A 93 7.868 -0.128 6.607 1.00 0.00 C ATOM 1462 NZ LYS A 93 7.217 0.011 7.941 1.00 0.00 N ATOM 0 H LYS A 93 10.576 0.288 2.946 1.00 0.00 H new ATOM 0 HA LYS A 93 8.236 -1.033 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.917 0.144 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.058 -0.981 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.594 0.922 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.443 2.044 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.234 1.991 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.755 1.442 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.383 -0.928 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.910 -0.419 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.284 -0.890 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.696 0.757 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.216 0.264 7.814 1.00 0.00 H new ATOM 1476 N GLN A 94 7.307 1.187 0.675 1.00 0.00 N ATOM 1477 CA GLN A 94 6.946 2.354 -0.162 1.00 0.00 C ATOM 1478 C GLN A 94 5.455 2.692 0.018 1.00 0.00 C ATOM 1479 O GLN A 94 4.797 3.195 -0.896 1.00 0.00 O ATOM 1480 CB GLN A 94 7.330 2.083 -1.652 1.00 0.00 C ATOM 1481 CG GLN A 94 6.620 0.886 -2.320 1.00 0.00 C ATOM 1482 CD GLN A 94 7.097 0.637 -3.760 1.00 0.00 C ATOM 1483 OE1 GLN A 94 8.085 -0.215 -3.929 1.00 0.00 O flip ATOM 1484 NE2 GLN A 94 6.561 1.191 -4.707 1.00 0.00 N flip ATOM 0 H GLN A 94 6.572 0.482 0.734 1.00 0.00 H new ATOM 0 HA GLN A 94 7.511 3.229 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.114 2.980 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.406 1.920 -1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.793 -0.011 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.545 1.064 -2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.797 1.848 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.877 0.997 -5.657 1.00 0.00 H new ATOM 1493 N ASN A 95 4.963 2.456 1.247 1.00 0.00 N ATOM 1494 CA ASN A 95 3.569 2.742 1.656 1.00 0.00 C ATOM 1495 C ASN A 95 3.282 4.259 1.692 1.00 0.00 C ATOM 1496 O ASN A 95 4.203 5.080 1.673 1.00 0.00 O ATOM 1497 CB ASN A 95 3.280 2.132 3.057 1.00 0.00 C ATOM 1498 CG ASN A 95 4.119 2.744 4.191 1.00 0.00 C ATOM 1499 OD1 ASN A 95 5.305 3.031 4.026 1.00 0.00 O ATOM 1500 ND2 ASN A 95 3.500 2.984 5.337 1.00 0.00 N ATOM 0 H ASN A 95 5.527 2.056 1.997 1.00 0.00 H new ATOM 0 HA ASN A 95 2.915 2.287 0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.223 2.265 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.466 1.059 3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.007 3.417 6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.517 2.736 5.447 1.00 0.00 H new ATOM 1507 N ARG A 96 1.989 4.614 1.771 1.00 0.00 N ATOM 1508 CA ARG A 96 1.522 6.016 1.828 1.00 0.00 C ATOM 1509 C ARG A 96 0.405 6.194 2.867 1.00 0.00 C ATOM 1510 O ARG A 96 -0.165 5.219 3.362 1.00 0.00 O ATOM 1511 CB ARG A 96 1.031 6.475 0.422 1.00 0.00 C ATOM 1512 CG ARG A 96 2.155 6.818 -0.576 1.00 0.00 C ATOM 1513 CD ARG A 96 2.974 8.049 -0.154 1.00 0.00 C ATOM 1514 NE ARG A 96 2.128 9.255 -0.067 1.00 0.00 N ATOM 1515 CZ ARG A 96 2.516 10.447 0.413 1.00 0.00 C ATOM 1516 NH1 ARG A 96 3.755 10.633 0.874 1.00 0.00 N ATOM 1517 NH2 ARG A 96 1.662 11.461 0.411 1.00 0.00 N ATOM 0 H ARG A 96 1.230 3.933 1.798 1.00 0.00 H new ATOM 0 HA ARG A 96 2.363 6.638 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.412 5.686 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.393 7.350 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.821 5.961 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.719 6.997 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.444 7.862 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.777 8.217 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 96 1.167 9.176 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.424 9.863 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.033 11.545 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.718 11.332 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.949 12.370 0.774 1.00 0.00 H new ATOM 1531 N GLU A 97 0.123 7.462 3.196 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.000 7.857 4.056 1.00 0.00 C ATOM 1533 C GLU A 97 -1.776 8.971 3.340 1.00 0.00 C ATOM 1534 O GLU A 97 -1.277 10.099 3.218 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.500 8.352 5.446 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.638 8.595 6.477 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.248 9.528 7.636 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -0.338 9.175 8.417 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -1.867 10.608 7.785 1.00 0.00 O ATOM 0 H GLU A 97 0.677 8.253 2.867 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.645 6.996 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.195 7.618 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.058 9.278 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.499 9.018 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.953 7.635 6.887 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.974 8.655 2.846 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.792 9.600 2.073 1.00 0.00 C ATOM 1548 C GLU A 98 -4.775 10.314 2.991 1.00 0.00 C ATOM 1549 O GLU A 98 -5.213 9.746 3.981 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.540 8.829 0.958 1.00 0.00 C ATOM 1551 CG GLU A 98 -3.617 7.966 0.078 1.00 0.00 C ATOM 1552 CD GLU A 98 -2.498 8.785 -0.586 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -2.795 9.548 -1.530 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -1.327 8.707 -0.147 1.00 0.00 O ATOM 0 H GLU A 98 -3.407 7.740 2.968 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.151 10.353 1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.295 8.189 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.067 9.543 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.173 7.178 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.211 7.476 -0.694 1.00 0.00 H new ATOM 1561 N THR A 99 -5.062 11.587 2.701 1.00 0.00 N ATOM 1562 CA THR A 99 -6.090 12.360 3.416 1.00 0.00 C ATOM 1563 C THR A 99 -6.852 13.213 2.405 1.00 0.00 C ATOM 1564 O THR A 99 -6.363 14.276 1.991 1.00 0.00 O ATOM 1565 CB THR A 99 -5.460 13.260 4.538 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.633 12.453 5.389 1.00 0.00 O ATOM 1567 CG2 THR A 99 -6.542 13.958 5.392 1.00 0.00 C ATOM 0 H THR A 99 -4.590 12.113 1.965 1.00 0.00 H new ATOM 0 HA THR A 99 -6.774 11.669 3.910 1.00 0.00 H new ATOM 0 HB THR A 99 -4.866 14.033 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.238 13.014 6.089 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.063 14.570 6.156 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.158 14.591 4.753 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.169 13.206 5.870 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.024 12.724 1.973 1.00 0.00 N ATOM 1576 CA VAL A 100 -8.877 13.423 1.000 1.00 0.00 C ATOM 1577 C VAL A 100 -9.770 14.424 1.766 1.00 0.00 C ATOM 1578 O VAL A 100 -10.208 14.154 2.902 1.00 0.00 O ATOM 1579 CB VAL A 100 -9.735 12.424 0.109 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.063 11.032 -0.022 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.206 12.292 0.558 1.00 0.00 C ATOM 0 H VAL A 100 -8.407 11.833 2.288 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.242 13.961 0.295 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.761 12.881 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.685 10.384 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.083 11.143 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.948 10.589 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.725 11.594 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.242 11.922 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.691 13.267 0.507 1.00 0.00 H new ATOM 1591 N ILE A 101 -9.994 15.588 1.159 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.776 16.679 1.743 1.00 0.00 C ATOM 1593 C ILE A 101 -12.114 16.835 1.011 1.00 0.00 C ATOM 1594 O ILE A 101 -12.153 17.160 -0.183 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.963 18.024 1.716 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.641 17.867 2.534 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.797 19.225 2.235 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.842 17.473 3.999 1.00 0.00 C ATOM 0 H ILE A 101 -9.631 15.804 0.231 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.984 16.432 2.784 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.715 18.240 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.018 17.114 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.092 18.808 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.192 20.131 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.681 19.352 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.105 19.037 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.872 17.387 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.436 18.235 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.361 16.516 4.050 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.204 16.608 1.761 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.567 16.833 1.307 1.00 0.00 C ATOM 1612 C TYR A 102 -14.895 18.304 1.490 1.00 0.00 C ATOM 1613 O TYR A 102 -15.216 18.748 2.595 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.570 15.945 2.091 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.532 14.473 1.686 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -14.557 13.609 2.190 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -16.466 13.944 0.783 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -14.516 12.283 1.814 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -16.421 12.614 0.405 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.444 11.790 0.924 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.390 10.474 0.544 1.00 0.00 O ATOM 0 H TYR A 102 -13.151 16.256 2.717 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.651 16.561 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.357 16.025 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.579 16.329 1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -13.823 13.986 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -17.233 14.586 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.756 11.631 2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -17.147 12.223 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.230 10.030 0.784 1.00 0.00 H new ATOM 1631 N SER A 103 -14.785 19.056 0.402 1.00 0.00 N ATOM 1632 CA SER A 103 -15.179 20.459 0.373 1.00 0.00 C ATOM 1633 C SER A 103 -16.683 20.491 0.112 1.00 0.00 C ATOM 1634 O SER A 103 -17.217 19.488 -0.365 1.00 0.00 O ATOM 1635 CB SER A 103 -14.395 21.191 -0.727 1.00 0.00 C ATOM 1636 OG SER A 103 -13.000 21.000 -0.554 1.00 0.00 O ATOM 0 H SER A 103 -14.420 18.710 -0.486 1.00 0.00 H new ATOM 0 HA SER A 103 -14.957 20.964 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.700 20.822 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.628 22.255 -0.701 1.00 0.00 H new ATOM 0 HG SER A 103 -12.515 21.471 -1.263 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.371 21.606 0.436 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.801 21.779 0.101 1.00 0.00 C ATOM 1644 C ALA A 104 -19.031 21.457 -1.388 1.00 0.00 C ATOM 1645 O ALA A 104 -18.134 21.711 -2.213 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.272 23.194 0.461 1.00 0.00 C ATOM 0 H ALA A 104 -16.960 22.399 0.929 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.397 21.083 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.327 23.302 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.137 23.362 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.688 23.925 -0.098 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.203 20.853 -1.692 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.489 20.159 -2.977 1.00 0.00 C ATOM 1654 C ASN A 105 -20.060 20.992 -4.186 1.00 0.00 C ATOM 1655 O ASN A 105 -20.043 22.226 -4.109 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.999 19.787 -3.072 1.00 0.00 C ATOM 1657 CG ASN A 105 -22.352 18.805 -4.200 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -22.760 19.205 -5.286 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.174 17.517 -3.953 1.00 0.00 N ATOM 0 H ASN A 105 -20.991 20.832 -1.044 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.900 19.242 -2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -22.312 19.355 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -22.576 20.701 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.377 16.826 -4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.833 17.215 -3.040 1.00 0.00 H new