USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 668 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 ASN :FLIP amide:sc= -0.311 F(o=-1.8,f=0.38) USER MOD Set 1.2: A 70 TYR OH : rot 167:sc= 0.688 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.373 X(o=-0.55,f=-0.26) USER MOD Set 2.2: A 22 GLN : amide:sc= -0.176 K(o=-0.55,f=-1.6) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= -0.0812 (180deg=-0.109) USER MOD Single : A 7 GLN :FLIP amide:sc=-0.00908 F(o=-1.3,f=-0.0091) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.95! C(o=-3.7!,f=-3!) USER MOD Single : A 11 MET CE :methyl -142:sc= -0.484 (180deg=-2.9!) USER MOD Single : A 12 GLN : amide:sc= -2.85! C(o=-2.8!,f=-5.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -157:sc= 1.43 USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -2 (180deg=-5.56!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0862 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.804 F(o=-2.1!,f=-0.8) USER MOD Single : A 35 SER OG : rot -42:sc= 0.0595 USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= 1.31 (180deg=0.366) USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= -1.58 (180deg=-3.29!) USER MOD Single : A 42 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.57) USER MOD Single : A 45 THR OG1 : rot -64:sc= -1.01! USER MOD Single : A 47 MET CE :methyl 130:sc= -0.0431 (180deg=-0.995) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0.826) USER MOD Single : A 52 GLN : amide:sc= -5.24! C(o=-5.2!,f=-16!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.1) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.0888 (180deg=-0.382) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.305 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 72 MET CE :methyl -128:sc= -1.45 (180deg=-2.68!) USER MOD Single : A 74 ASN : amide:sc= -0.661 K(o=-0.66,f=-3.6!) USER MOD Single : A 79 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.645 -0.912 -0.912 1.00 0.00 N ATOM 2 CA PRO A 1 1.664 -0.713 -1.964 1.00 0.00 C ATOM 3 C PRO A 1 1.797 -1.979 -2.798 1.00 0.00 C ATOM 4 O PRO A 1 1.065 -2.944 -2.576 1.00 0.00 O ATOM 5 CB PRO A 1 2.990 -0.356 -1.308 1.00 0.00 C ATOM 6 CG PRO A 1 2.760 -0.676 0.124 1.00 0.00 C ATOM 7 CD PRO A 1 1.277 -0.500 0.357 1.00 0.00 C ATOM 0 H2 PRO A 1 0.349 -1.887 -0.872 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.188 -0.355 -1.102 1.00 0.00 H new ATOM 0 HA PRO A 1 1.365 0.100 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.813 -0.937 -1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.239 0.696 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.072 -1.695 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.338 -0.014 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.932 -1.114 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.035 0.534 0.602 1.00 0.00 H new ATOM 17 N VAL A 2 2.722 -1.985 -3.746 1.00 0.00 N ATOM 18 CA VAL A 2 2.874 -3.131 -4.629 1.00 0.00 C ATOM 19 C VAL A 2 4.269 -3.716 -4.507 1.00 0.00 C ATOM 20 O VAL A 2 5.227 -3.015 -4.169 1.00 0.00 O ATOM 21 CB VAL A 2 2.592 -2.782 -6.108 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.248 -2.093 -6.251 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.701 -1.928 -6.697 1.00 0.00 C ATOM 0 H VAL A 2 3.372 -1.219 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 2 2.134 -3.866 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 2 2.560 -3.716 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.070 -1.856 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.460 -2.754 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.247 -1.173 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.471 -1.701 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.784 -0.999 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.645 -2.470 -6.644 1.00 0.00 H new ATOM 33 N SER A 3 4.379 -5.001 -4.773 1.00 0.00 N ATOM 34 CA SER A 3 5.652 -5.681 -4.685 1.00 0.00 C ATOM 35 C SER A 3 6.395 -5.567 -6.008 1.00 0.00 C ATOM 36 O SER A 3 5.909 -6.017 -7.047 1.00 0.00 O ATOM 37 CB SER A 3 5.442 -7.150 -4.319 1.00 0.00 C ATOM 38 OG SER A 3 4.554 -7.276 -3.220 1.00 0.00 O ATOM 0 H SER A 3 3.599 -5.596 -5.053 1.00 0.00 H new ATOM 0 HA SER A 3 6.250 -5.211 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.043 -7.689 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.400 -7.608 -4.072 1.00 0.00 H new ATOM 0 HG SER A 3 4.433 -8.224 -3.004 1.00 0.00 H new ATOM 44 N ILE A 4 7.562 -4.954 -5.966 1.00 0.00 N ATOM 45 CA ILE A 4 8.367 -4.760 -7.158 1.00 0.00 C ATOM 46 C ILE A 4 9.719 -5.433 -7.016 1.00 0.00 C ATOM 47 O ILE A 4 10.314 -5.452 -5.937 1.00 0.00 O ATOM 48 CB ILE A 4 8.568 -3.269 -7.476 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.747 -2.473 -6.189 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.398 -2.733 -8.290 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.063 -1.015 -6.419 1.00 0.00 C ATOM 0 H ILE A 4 7.977 -4.579 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 4 7.822 -5.217 -7.984 1.00 0.00 H new ATOM 0 HB ILE A 4 9.473 -3.159 -8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.836 -2.549 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.549 -2.922 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.558 -1.677 -8.505 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.322 -3.287 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.475 -2.852 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.177 -0.512 -5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.990 -0.929 -6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.251 -0.550 -6.978 1.00 0.00 H new ATOM 63 N LYS A 5 10.190 -5.999 -8.105 1.00 0.00 N ATOM 64 CA LYS A 5 11.446 -6.716 -8.108 1.00 0.00 C ATOM 65 C LYS A 5 12.365 -6.167 -9.179 1.00 0.00 C ATOM 66 O LYS A 5 11.912 -5.716 -10.228 1.00 0.00 O ATOM 67 CB LYS A 5 11.203 -8.197 -8.362 1.00 0.00 C ATOM 68 CG LYS A 5 10.308 -8.856 -7.329 1.00 0.00 C ATOM 69 CD LYS A 5 9.804 -10.202 -7.813 1.00 0.00 C ATOM 70 CE LYS A 5 8.376 -10.113 -8.322 1.00 0.00 C ATOM 71 NZ LYS A 5 7.854 -11.444 -8.733 1.00 0.00 N ATOM 0 H LYS A 5 9.717 -5.976 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 5 11.917 -6.588 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.755 -8.318 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.162 -8.715 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.859 -8.985 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.461 -8.205 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.452 -10.570 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.857 -10.925 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.737 -9.696 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.334 -9.428 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.909 -11.332 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.496 -11.868 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.791 -12.064 -7.901 1.00 0.00 H new ATOM 85 N VAL A 6 13.650 -6.222 -8.906 1.00 0.00 N ATOM 86 CA VAL A 6 14.657 -5.751 -9.837 1.00 0.00 C ATOM 87 C VAL A 6 15.682 -6.849 -10.077 1.00 0.00 C ATOM 88 O VAL A 6 16.500 -7.156 -9.206 1.00 0.00 O ATOM 89 CB VAL A 6 15.375 -4.480 -9.325 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.366 -3.980 -10.361 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.374 -3.388 -8.976 1.00 0.00 C ATOM 0 H VAL A 6 14.028 -6.593 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 6 14.151 -5.494 -10.768 1.00 0.00 H new ATOM 0 HB VAL A 6 15.918 -4.741 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.863 -3.085 -9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.109 -4.753 -10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.838 -3.742 -11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.907 -2.507 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.795 -3.128 -9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.702 -3.746 -8.196 1.00 0.00 H new ATOM 101 N GLN A 7 15.606 -7.461 -11.246 1.00 0.00 N ATOM 102 CA GLN A 7 16.522 -8.523 -11.615 1.00 0.00 C ATOM 103 C GLN A 7 17.904 -7.943 -11.859 1.00 0.00 C ATOM 104 O GLN A 7 18.137 -7.268 -12.857 1.00 0.00 O ATOM 105 CB GLN A 7 16.021 -9.255 -12.864 1.00 0.00 C ATOM 106 CG GLN A 7 16.230 -10.756 -12.812 1.00 0.00 C ATOM 107 CD GLN A 7 17.687 -11.149 -12.887 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.365 -11.034 -11.766 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 18.207 -11.483 -13.951 1.00 0.00 N flip ATOM 0 H GLN A 7 14.913 -7.237 -11.960 1.00 0.00 H new ATOM 0 HA GLN A 7 16.577 -9.243 -10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.959 -9.049 -12.994 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.533 -8.855 -13.739 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.801 -11.146 -11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.690 -11.222 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.639 -11.558 -14.795 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.206 -11.684 -13.989 1.00 0.00 H new ATOM 118 N VAL A 8 18.798 -8.189 -10.925 1.00 0.00 N ATOM 119 CA VAL A 8 20.160 -7.718 -11.029 1.00 0.00 C ATOM 120 C VAL A 8 20.947 -8.589 -12.006 1.00 0.00 C ATOM 121 O VAL A 8 20.946 -9.812 -11.883 1.00 0.00 O ATOM 122 CB VAL A 8 20.847 -7.729 -9.646 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.293 -7.298 -9.754 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.095 -6.843 -8.665 1.00 0.00 C ATOM 0 H VAL A 8 18.601 -8.719 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 8 20.140 -6.694 -11.401 1.00 0.00 H new ATOM 0 HB VAL A 8 20.828 -8.752 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.752 -7.315 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.828 -7.981 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.342 -6.288 -10.160 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.596 -6.865 -7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.075 -5.820 -9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.074 -7.208 -8.554 1.00 0.00 H new ATOM 134 N PRO A 9 21.630 -7.976 -12.985 1.00 0.00 N ATOM 135 CA PRO A 9 22.403 -8.717 -13.980 1.00 0.00 C ATOM 136 C PRO A 9 23.581 -9.453 -13.346 1.00 0.00 C ATOM 137 O PRO A 9 24.122 -9.026 -12.320 1.00 0.00 O ATOM 138 CB PRO A 9 22.887 -7.630 -14.949 1.00 0.00 C ATOM 139 CG PRO A 9 22.861 -6.374 -14.153 1.00 0.00 C ATOM 140 CD PRO A 9 21.715 -6.520 -13.194 1.00 0.00 C ATOM 0 HA PRO A 9 21.814 -9.492 -14.471 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.891 -7.845 -15.316 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.237 -7.559 -15.821 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.801 -6.230 -13.620 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.723 -5.506 -14.797 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.902 -5.990 -12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.790 -6.119 -13.608 1.00 0.00 H new ATOM 148 N ASN A 10 23.952 -10.576 -13.938 1.00 0.00 N ATOM 149 CA ASN A 10 25.072 -11.362 -13.444 1.00 0.00 C ATOM 150 C ASN A 10 26.388 -10.709 -13.826 1.00 0.00 C ATOM 151 O ASN A 10 26.976 -11.040 -14.852 1.00 0.00 O ATOM 152 CB ASN A 10 25.029 -12.789 -14.001 1.00 0.00 C ATOM 153 CG ASN A 10 23.951 -13.644 -13.371 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.306 -14.368 -12.317 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 22.809 -13.661 -13.830 1.00 0.00 N flip ATOM 0 H ASN A 10 23.494 -10.965 -14.762 1.00 0.00 H new ATOM 0 HA ASN A 10 24.994 -11.407 -12.358 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.867 -12.747 -15.078 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.998 -13.263 -13.843 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.577 -13.089 -14.642 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.094 -14.247 -13.398 1.00 0.00 H new ATOM 162 N MET A 11 26.841 -9.758 -13.022 1.00 0.00 N ATOM 163 CA MET A 11 28.118 -9.117 -13.283 1.00 0.00 C ATOM 164 C MET A 11 28.891 -8.950 -11.992 1.00 0.00 C ATOM 165 O MET A 11 28.995 -7.851 -11.456 1.00 0.00 O ATOM 166 CB MET A 11 27.923 -7.757 -13.978 1.00 0.00 C ATOM 167 CG MET A 11 27.546 -7.876 -15.448 1.00 0.00 C ATOM 168 SD MET A 11 27.907 -6.391 -16.416 1.00 0.00 S ATOM 169 CE MET A 11 26.844 -5.180 -15.640 1.00 0.00 C ATOM 0 H MET A 11 26.350 -9.418 -12.195 1.00 0.00 H new ATOM 0 HA MET A 11 28.691 -9.756 -13.955 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.146 -7.199 -13.456 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.843 -7.179 -13.892 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.080 -8.721 -15.883 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.482 -8.098 -15.524 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.429 -4.519 -16.401 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.032 -5.689 -15.120 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.422 -4.593 -14.926 1.00 0.00 H new ATOM 179 N GLN A 12 29.451 -10.057 -11.510 1.00 0.00 N ATOM 180 CA GLN A 12 30.133 -10.074 -10.221 1.00 0.00 C ATOM 181 C GLN A 12 31.520 -9.483 -10.368 1.00 0.00 C ATOM 182 O GLN A 12 31.962 -8.661 -9.565 1.00 0.00 O ATOM 183 CB GLN A 12 30.271 -11.507 -9.680 1.00 0.00 C ATOM 184 CG GLN A 12 29.041 -12.392 -9.842 1.00 0.00 C ATOM 185 CD GLN A 12 28.850 -12.889 -11.261 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.805 -12.995 -12.031 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.619 -13.214 -11.610 1.00 0.00 N ATOM 0 H GLN A 12 29.445 -10.955 -11.995 1.00 0.00 H new ATOM 0 HA GLN A 12 29.537 -9.486 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.111 -11.987 -10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.522 -11.454 -8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.125 -13.247 -9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.156 -11.834 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 12 26.855 -13.111 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.431 -13.568 -12.548 1.00 0.00 H new ATOM 196 N ASP A 13 32.198 -9.916 -11.418 1.00 0.00 N ATOM 197 CA ASP A 13 33.555 -9.472 -11.692 1.00 0.00 C ATOM 198 C ASP A 13 33.605 -8.779 -13.042 1.00 0.00 C ATOM 199 O ASP A 13 34.646 -8.295 -13.479 1.00 0.00 O ATOM 200 CB ASP A 13 34.516 -10.664 -11.670 1.00 0.00 C ATOM 201 CG ASP A 13 35.967 -10.242 -11.560 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.389 -9.863 -10.449 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.690 -10.293 -12.576 1.00 0.00 O ATOM 0 H ASP A 13 31.828 -10.579 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 13 33.862 -8.766 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.266 -11.312 -10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.380 -11.252 -12.578 1.00 0.00 H new ATOM 208 N LYS A 14 32.449 -8.714 -13.689 1.00 0.00 N ATOM 209 CA LYS A 14 32.348 -8.119 -15.015 1.00 0.00 C ATOM 210 C LYS A 14 32.272 -6.606 -14.876 1.00 0.00 C ATOM 211 O LYS A 14 32.288 -5.867 -15.858 1.00 0.00 O ATOM 212 CB LYS A 14 31.101 -8.630 -15.751 1.00 0.00 C ATOM 213 CG LYS A 14 30.645 -10.023 -15.334 1.00 0.00 C ATOM 214 CD LYS A 14 31.699 -11.079 -15.595 1.00 0.00 C ATOM 215 CE LYS A 14 31.277 -12.421 -15.025 1.00 0.00 C ATOM 216 NZ LYS A 14 32.319 -13.463 -15.204 1.00 0.00 N ATOM 0 H LYS A 14 31.567 -9.066 -13.317 1.00 0.00 H new ATOM 0 HA LYS A 14 33.227 -8.400 -15.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.283 -7.929 -15.583 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.303 -8.634 -16.822 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.395 -10.018 -14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.735 -10.281 -15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.868 -11.172 -16.668 1.00 0.00 H new ATOM 0 HD3 LYS A 14 32.645 -10.772 -15.149 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.057 -12.309 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.356 -12.745 -15.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 31.985 -14.361 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.512 -13.591 -16.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.191 -13.168 -14.720 1.00 0.00 H new ATOM 230 N THR A 15 32.186 -6.167 -13.632 1.00 0.00 N ATOM 231 CA THR A 15 32.081 -4.760 -13.313 1.00 0.00 C ATOM 232 C THR A 15 32.376 -4.546 -11.827 1.00 0.00 C ATOM 233 O THR A 15 32.716 -5.494 -11.116 1.00 0.00 O ATOM 234 CB THR A 15 30.680 -4.214 -13.670 1.00 0.00 C ATOM 235 OG1 THR A 15 30.660 -2.784 -13.556 1.00 0.00 O ATOM 236 CG2 THR A 15 29.609 -4.830 -12.777 1.00 0.00 C ATOM 0 H THR A 15 32.187 -6.779 -12.816 1.00 0.00 H new ATOM 0 HA THR A 15 32.813 -4.212 -13.906 1.00 0.00 H new ATOM 0 HB THR A 15 30.461 -4.490 -14.702 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.738 -2.479 -13.421 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.633 -4.428 -13.050 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.605 -5.912 -12.907 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.822 -4.590 -11.735 1.00 0.00 H new ATOM 244 N GLU A 16 32.234 -3.310 -11.367 1.00 0.00 N ATOM 245 CA GLU A 16 32.588 -2.950 -10.001 1.00 0.00 C ATOM 246 C GLU A 16 31.354 -2.825 -9.114 1.00 0.00 C ATOM 247 O GLU A 16 31.458 -2.530 -7.924 1.00 0.00 O ATOM 248 CB GLU A 16 33.354 -1.629 -9.999 1.00 0.00 C ATOM 249 CG GLU A 16 32.561 -0.468 -10.583 1.00 0.00 C ATOM 250 CD GLU A 16 33.285 0.851 -10.449 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.378 1.369 -9.316 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.767 1.377 -11.473 1.00 0.00 O ATOM 0 H GLU A 16 31.874 -2.535 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 16 33.214 -3.746 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.640 -1.385 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.276 -1.752 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.359 -0.663 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.596 -0.402 -10.081 1.00 0.00 H new ATOM 259 N TRP A 17 30.191 -3.051 -9.692 1.00 0.00 N ATOM 260 CA TRP A 17 28.940 -2.912 -8.956 1.00 0.00 C ATOM 261 C TRP A 17 28.616 -4.195 -8.198 1.00 0.00 C ATOM 262 O TRP A 17 29.235 -5.235 -8.425 1.00 0.00 O ATOM 263 CB TRP A 17 27.797 -2.565 -9.911 1.00 0.00 C ATOM 264 CG TRP A 17 28.096 -1.374 -10.769 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.539 -0.154 -10.349 1.00 0.00 C ATOM 266 CD2 TRP A 17 27.972 -1.289 -12.192 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.709 0.680 -11.425 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.369 0.005 -12.567 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.571 -2.183 -13.186 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.370 0.425 -13.893 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.576 -1.765 -14.501 1.00 0.00 C ATOM 272 CH2 TRP A 17 27.974 -0.472 -14.844 1.00 0.00 C ATOM 0 H TRP A 17 30.081 -3.331 -10.667 1.00 0.00 H new ATOM 0 HA TRP A 17 29.056 -2.103 -8.235 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.590 -3.424 -10.550 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.893 -2.373 -9.333 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.728 0.116 -9.320 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.035 1.645 -11.381 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.262 -3.186 -12.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.673 1.426 -14.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.267 -2.449 -15.277 1.00 0.00 H new ATOM 0 HH2 TRP A 17 27.969 -0.175 -15.882 1.00 0.00 H new ATOM 283 N LYS A 18 27.628 -4.116 -7.313 1.00 0.00 N ATOM 284 CA LYS A 18 27.231 -5.253 -6.488 1.00 0.00 C ATOM 285 C LYS A 18 26.320 -6.205 -7.271 1.00 0.00 C ATOM 286 O LYS A 18 25.494 -6.915 -6.702 1.00 0.00 O ATOM 287 CB LYS A 18 26.521 -4.748 -5.220 1.00 0.00 C ATOM 288 CG LYS A 18 25.128 -4.174 -5.463 1.00 0.00 C ATOM 289 CD LYS A 18 24.051 -5.116 -4.939 1.00 0.00 C ATOM 290 CE LYS A 18 22.902 -5.282 -5.921 1.00 0.00 C ATOM 291 NZ LYS A 18 22.015 -4.089 -5.932 1.00 0.00 N ATOM 0 H LYS A 18 27.083 -3.270 -7.147 1.00 0.00 H new ATOM 0 HA LYS A 18 28.125 -5.807 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.443 -5.571 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.140 -3.982 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.039 -3.205 -4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.981 -4.005 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.493 -6.091 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.666 -4.734 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.299 -5.450 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.321 -6.166 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.619 -3.960 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.241 -4.225 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.564 -3.246 -5.668 1.00 0.00 H new ATOM 305 N LEU A 19 26.484 -6.240 -8.578 1.00 0.00 N ATOM 306 CA LEU A 19 25.644 -7.068 -9.419 1.00 0.00 C ATOM 307 C LEU A 19 26.137 -8.508 -9.366 1.00 0.00 C ATOM 308 O LEU A 19 27.318 -8.760 -9.547 1.00 0.00 O ATOM 309 CB LEU A 19 25.679 -6.561 -10.863 1.00 0.00 C ATOM 310 CG LEU A 19 25.542 -5.047 -11.028 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.490 -4.674 -12.494 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.309 -4.538 -10.311 1.00 0.00 C ATOM 0 H LEU A 19 27.192 -5.704 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 19 24.617 -7.021 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.618 -6.876 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.876 -7.045 -11.420 1.00 0.00 H new ATOM 0 HG LEU A 19 26.418 -4.577 -10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.392 -3.593 -12.591 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.406 -5.001 -12.985 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.634 -5.159 -12.963 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.232 -3.459 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.423 -5.018 -10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.384 -4.770 -9.249 1.00 0.00 H new ATOM 324 N ASN A 20 25.254 -9.455 -9.096 1.00 0.00 N ATOM 325 CA ASN A 20 25.678 -10.851 -8.970 1.00 0.00 C ATOM 326 C ASN A 20 24.669 -11.794 -9.598 1.00 0.00 C ATOM 327 O ASN A 20 24.775 -13.010 -9.460 1.00 0.00 O ATOM 328 CB ASN A 20 25.888 -11.215 -7.495 1.00 0.00 C ATOM 329 CG ASN A 20 27.072 -10.492 -6.880 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.177 -11.029 -6.793 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.849 -9.251 -6.487 1.00 0.00 N ATOM 0 H ASN A 20 24.256 -9.294 -8.961 1.00 0.00 H new ATOM 0 HA ASN A 20 26.622 -10.960 -9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.986 -10.972 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.038 -12.291 -7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.609 -8.697 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.917 -8.847 -6.578 1.00 0.00 H new ATOM 338 N GLY A 21 23.707 -11.234 -10.315 1.00 0.00 N ATOM 339 CA GLY A 21 22.672 -12.048 -10.918 1.00 0.00 C ATOM 340 C GLY A 21 21.530 -12.340 -9.974 1.00 0.00 C ATOM 341 O GLY A 21 20.677 -13.181 -10.263 1.00 0.00 O ATOM 0 H GLY A 21 23.624 -10.233 -10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.286 -11.540 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.107 -12.989 -11.256 1.00 0.00 H new ATOM 345 N GLN A 22 21.516 -11.660 -8.840 1.00 0.00 N ATOM 346 CA GLN A 22 20.451 -11.836 -7.868 1.00 0.00 C ATOM 347 C GLN A 22 19.251 -10.967 -8.230 1.00 0.00 C ATOM 348 O GLN A 22 19.279 -10.233 -9.210 1.00 0.00 O ATOM 349 CB GLN A 22 20.939 -11.492 -6.462 1.00 0.00 C ATOM 350 CG GLN A 22 21.234 -10.019 -6.268 1.00 0.00 C ATOM 351 CD GLN A 22 22.659 -9.760 -5.852 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.283 -10.573 -5.177 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.185 -8.629 -6.275 1.00 0.00 N ATOM 0 H GLN A 22 22.229 -10.982 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 22 20.147 -12.883 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.185 -11.802 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.841 -12.066 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 22 21.029 -9.486 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.560 -9.614 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.626 -7.984 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.151 -8.398 -6.044 1.00 0.00 H new ATOM 362 N VAL A 23 18.211 -11.044 -7.431 1.00 0.00 N ATOM 363 CA VAL A 23 17.001 -10.270 -7.670 1.00 0.00 C ATOM 364 C VAL A 23 16.654 -9.454 -6.434 1.00 0.00 C ATOM 365 O VAL A 23 16.564 -9.995 -5.335 1.00 0.00 O ATOM 366 CB VAL A 23 15.797 -11.173 -8.032 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.548 -10.338 -8.277 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.109 -12.028 -9.249 1.00 0.00 C ATOM 0 H VAL A 23 18.173 -11.638 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 23 17.200 -9.612 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 23 15.608 -11.834 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.715 -10.994 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.305 -9.774 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.728 -9.647 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.248 -12.654 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.332 -11.383 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.971 -12.661 -9.038 1.00 0.00 H new ATOM 378 N LEU A 24 16.475 -8.155 -6.616 1.00 0.00 N ATOM 379 CA LEU A 24 16.104 -7.277 -5.517 1.00 0.00 C ATOM 380 C LEU A 24 14.592 -7.244 -5.376 1.00 0.00 C ATOM 381 O LEU A 24 13.875 -7.258 -6.373 1.00 0.00 O ATOM 382 CB LEU A 24 16.630 -5.860 -5.752 1.00 0.00 C ATOM 383 CG LEU A 24 18.138 -5.750 -5.994 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.543 -4.296 -6.188 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.914 -6.372 -4.841 1.00 0.00 C ATOM 0 H LEU A 24 16.581 -7.685 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 24 16.549 -7.664 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.110 -5.435 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.372 -5.247 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 24 18.380 -6.299 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.618 -4.237 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.016 -3.883 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.286 -3.725 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.983 -6.283 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.667 -5.853 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.648 -7.425 -4.749 1.00 0.00 H new ATOM 397 N VAL A 25 14.114 -7.207 -4.145 1.00 0.00 N ATOM 398 CA VAL A 25 12.686 -7.193 -3.883 1.00 0.00 C ATOM 399 C VAL A 25 12.341 -6.042 -2.954 1.00 0.00 C ATOM 400 O VAL A 25 12.768 -6.014 -1.795 1.00 0.00 O ATOM 401 CB VAL A 25 12.204 -8.520 -3.254 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.693 -8.506 -3.059 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.617 -9.709 -4.112 1.00 0.00 C ATOM 0 H VAL A 25 14.697 -7.186 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 25 12.179 -7.067 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 25 12.678 -8.621 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.375 -9.449 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.419 -7.683 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.203 -8.375 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.266 -10.631 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.177 -9.612 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.703 -9.736 -4.198 1.00 0.00 H new ATOM 413 N PHE A 26 11.583 -5.092 -3.473 1.00 0.00 N ATOM 414 CA PHE A 26 11.176 -3.931 -2.704 1.00 0.00 C ATOM 415 C PHE A 26 9.669 -3.731 -2.831 1.00 0.00 C ATOM 416 O PHE A 26 9.017 -4.355 -3.665 1.00 0.00 O ATOM 417 CB PHE A 26 11.922 -2.676 -3.177 1.00 0.00 C ATOM 418 CG PHE A 26 13.405 -2.708 -2.912 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.888 -2.777 -1.615 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.317 -2.675 -3.958 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.246 -2.812 -1.366 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.676 -2.712 -3.714 1.00 0.00 C ATOM 423 CZ PHE A 26 16.141 -2.780 -2.416 1.00 0.00 C ATOM 0 H PHE A 26 11.235 -5.103 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 26 11.427 -4.100 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.757 -2.550 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.494 -1.804 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.194 -2.804 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.959 -2.620 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.608 -2.864 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.374 -2.688 -4.538 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.203 -2.808 -2.223 1.00 0.00 H new ATOM 433 N THR A 27 9.111 -2.895 -1.981 1.00 0.00 N ATOM 434 CA THR A 27 7.695 -2.597 -2.041 1.00 0.00 C ATOM 435 C THR A 27 7.471 -1.091 -2.109 1.00 0.00 C ATOM 436 O THR A 27 7.934 -0.346 -1.246 1.00 0.00 O ATOM 437 CB THR A 27 6.960 -3.175 -0.818 1.00 0.00 C ATOM 438 OG1 THR A 27 7.464 -4.490 -0.531 1.00 0.00 O ATOM 439 CG2 THR A 27 5.460 -3.250 -1.058 1.00 0.00 C ATOM 0 H THR A 27 9.616 -2.409 -1.240 1.00 0.00 H new ATOM 0 HA THR A 27 7.293 -3.060 -2.942 1.00 0.00 H new ATOM 0 HB THR A 27 7.138 -2.512 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.997 -4.856 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.971 -3.662 -0.176 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.072 -2.250 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.261 -3.891 -1.917 1.00 0.00 H new ATOM 447 N LEU A 28 6.775 -0.651 -3.140 1.00 0.00 N ATOM 448 CA LEU A 28 6.472 0.763 -3.317 1.00 0.00 C ATOM 449 C LEU A 28 5.042 0.930 -3.803 1.00 0.00 C ATOM 450 O LEU A 28 4.491 0.025 -4.421 1.00 0.00 O ATOM 451 CB LEU A 28 7.444 1.412 -4.312 1.00 0.00 C ATOM 452 CG LEU A 28 8.864 1.640 -3.792 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.775 2.093 -4.919 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.863 2.670 -2.673 1.00 0.00 C ATOM 0 H LEU A 28 6.405 -1.255 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 28 6.586 1.261 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.498 0.785 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.031 2.372 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 28 9.240 0.696 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.782 2.251 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.801 1.329 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.398 3.025 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.882 2.820 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.468 3.614 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.239 2.316 -1.853 1.00 0.00 H new ATOM 466 N PRO A 29 4.406 2.067 -3.498 1.00 0.00 N ATOM 467 CA PRO A 29 3.067 2.366 -3.993 1.00 0.00 C ATOM 468 C PRO A 29 3.063 2.603 -5.497 1.00 0.00 C ATOM 469 O PRO A 29 4.060 3.038 -6.072 1.00 0.00 O ATOM 470 CB PRO A 29 2.677 3.643 -3.242 1.00 0.00 C ATOM 471 CG PRO A 29 3.972 4.274 -2.865 1.00 0.00 C ATOM 472 CD PRO A 29 4.934 3.143 -2.640 1.00 0.00 C ATOM 0 HA PRO A 29 2.373 1.542 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.083 4.306 -3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.076 3.416 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.327 4.937 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.864 4.879 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.950 3.419 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.963 2.843 -1.592 1.00 0.00 H new ATOM 480 N LEU A 30 1.928 2.330 -6.120 1.00 0.00 N ATOM 481 CA LEU A 30 1.759 2.502 -7.563 1.00 0.00 C ATOM 482 C LEU A 30 1.886 3.980 -7.956 1.00 0.00 C ATOM 483 O LEU A 30 1.915 4.326 -9.137 1.00 0.00 O ATOM 484 CB LEU A 30 0.385 1.959 -7.976 1.00 0.00 C ATOM 485 CG LEU A 30 0.132 1.859 -9.478 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.082 0.854 -10.107 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.312 1.464 -9.748 1.00 0.00 C ATOM 0 H LEU A 30 1.095 1.983 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 30 2.543 1.950 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.261 0.968 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.383 2.598 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 30 0.313 2.836 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.890 0.793 -11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.111 1.172 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.927 -0.125 -9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.476 1.397 -10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.517 0.497 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.980 2.215 -9.325 1.00 0.00 H new ATOM 499 N THR A 31 1.973 4.836 -6.951 1.00 0.00 N ATOM 500 CA THR A 31 2.048 6.271 -7.152 1.00 0.00 C ATOM 501 C THR A 31 3.475 6.721 -7.433 1.00 0.00 C ATOM 502 O THR A 31 3.699 7.829 -7.925 1.00 0.00 O ATOM 503 CB THR A 31 1.515 7.000 -5.913 1.00 0.00 C ATOM 504 OG1 THR A 31 2.269 6.610 -4.754 1.00 0.00 O ATOM 505 CG2 THR A 31 0.052 6.664 -5.693 1.00 0.00 C ATOM 0 H THR A 31 1.994 4.553 -5.971 1.00 0.00 H new ATOM 0 HA THR A 31 1.436 6.519 -8.019 1.00 0.00 H new ATOM 0 HB THR A 31 1.617 8.073 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.925 7.080 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.313 7.189 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.527 6.972 -6.563 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.057 5.589 -5.547 1.00 0.00 H new ATOM 513 N ASP A 32 4.438 5.867 -7.110 1.00 0.00 N ATOM 514 CA ASP A 32 5.835 6.172 -7.388 1.00 0.00 C ATOM 515 C ASP A 32 6.156 5.934 -8.856 1.00 0.00 C ATOM 516 O ASP A 32 5.267 5.652 -9.670 1.00 0.00 O ATOM 517 CB ASP A 32 6.775 5.365 -6.488 1.00 0.00 C ATOM 518 CG ASP A 32 6.947 6.005 -5.125 1.00 0.00 C ATOM 519 OD1 ASP A 32 5.927 6.287 -4.459 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.103 6.252 -4.718 1.00 0.00 O ATOM 0 H ASP A 32 4.280 4.966 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 32 5.994 7.228 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.383 4.355 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.748 5.273 -6.970 1.00 0.00 H new ATOM 525 N GLN A 33 7.423 6.054 -9.205 1.00 0.00 N ATOM 526 CA GLN A 33 7.823 6.015 -10.596 1.00 0.00 C ATOM 527 C GLN A 33 9.185 5.360 -10.764 1.00 0.00 C ATOM 528 O GLN A 33 9.853 5.031 -9.781 1.00 0.00 O ATOM 529 CB GLN A 33 7.840 7.433 -11.185 1.00 0.00 C ATOM 530 CG GLN A 33 8.653 8.441 -10.376 1.00 0.00 C ATOM 531 CD GLN A 33 7.924 8.973 -9.149 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.611 9.126 -9.243 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.546 9.277 -8.132 1.00 0.00 N flip ATOM 0 H GLN A 33 8.190 6.179 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 33 7.093 5.413 -11.137 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.242 7.388 -12.197 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.814 7.793 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.585 7.972 -10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.921 9.279 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.557 9.146 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.051 9.660 -7.327 1.00 0.00 H new ATOM 542 N VAL A 34 9.590 5.191 -12.020 1.00 0.00 N ATOM 543 CA VAL A 34 10.858 4.547 -12.352 1.00 0.00 C ATOM 544 C VAL A 34 12.025 5.306 -11.735 1.00 0.00 C ATOM 545 O VAL A 34 13.051 4.715 -11.403 1.00 0.00 O ATOM 546 CB VAL A 34 11.081 4.466 -13.877 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.288 3.607 -14.201 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.837 3.951 -14.578 1.00 0.00 C ATOM 0 H VAL A 34 9.052 5.494 -12.832 1.00 0.00 H new ATOM 0 HA VAL A 34 10.809 3.536 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 34 11.279 5.472 -14.246 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.425 3.565 -15.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.176 4.038 -13.739 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.132 2.600 -13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.018 3.903 -15.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.595 2.956 -14.206 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.003 4.625 -14.381 1.00 0.00 H new ATOM 558 N SER A 35 11.849 6.614 -11.577 1.00 0.00 N ATOM 559 CA SER A 35 12.863 7.482 -10.991 1.00 0.00 C ATOM 560 C SER A 35 13.324 6.961 -9.629 1.00 0.00 C ATOM 561 O SER A 35 14.469 7.164 -9.229 1.00 0.00 O ATOM 562 CB SER A 35 12.293 8.890 -10.853 1.00 0.00 C ATOM 563 OG SER A 35 11.475 9.194 -11.967 1.00 0.00 O ATOM 0 H SER A 35 10.997 7.102 -11.853 1.00 0.00 H new ATOM 0 HA SER A 35 13.733 7.497 -11.647 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.713 8.967 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.105 9.614 -10.779 1.00 0.00 H new ATOM 0 HG SER A 35 11.905 8.871 -12.786 1.00 0.00 H new ATOM 569 N VAL A 36 12.430 6.272 -8.933 1.00 0.00 N ATOM 570 CA VAL A 36 12.741 5.701 -7.638 1.00 0.00 C ATOM 571 C VAL A 36 13.539 4.410 -7.798 1.00 0.00 C ATOM 572 O VAL A 36 14.393 4.085 -6.973 1.00 0.00 O ATOM 573 CB VAL A 36 11.452 5.418 -6.851 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.774 4.961 -5.444 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.563 6.651 -6.830 1.00 0.00 C ATOM 0 H VAL A 36 11.477 6.096 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 36 13.343 6.423 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 36 10.911 4.614 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.848 4.766 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.369 4.049 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.338 5.739 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.654 6.435 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.095 7.475 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.302 6.929 -7.851 1.00 0.00 H new ATOM 585 N ILE A 37 13.264 3.688 -8.870 1.00 0.00 N ATOM 586 CA ILE A 37 13.952 2.433 -9.135 1.00 0.00 C ATOM 587 C ILE A 37 15.399 2.696 -9.523 1.00 0.00 C ATOM 588 O ILE A 37 16.316 2.069 -9.005 1.00 0.00 O ATOM 589 CB ILE A 37 13.272 1.611 -10.259 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.757 1.520 -10.032 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.888 0.220 -10.339 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.359 0.920 -8.699 1.00 0.00 C ATOM 0 H ILE A 37 12.570 3.947 -9.571 1.00 0.00 H new ATOM 0 HA ILE A 37 13.906 1.851 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 37 13.438 2.122 -11.207 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.330 2.520 -10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.317 0.923 -10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.402 -0.348 -11.132 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.953 0.306 -10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.750 -0.294 -9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.272 0.894 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.753 -0.094 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.765 1.528 -7.891 1.00 0.00 H new ATOM 604 N LYS A 38 15.596 3.640 -10.424 1.00 0.00 N ATOM 605 CA LYS A 38 16.934 3.992 -10.878 1.00 0.00 C ATOM 606 C LYS A 38 17.797 4.528 -9.743 1.00 0.00 C ATOM 607 O LYS A 38 18.962 4.145 -9.607 1.00 0.00 O ATOM 608 CB LYS A 38 16.864 5.026 -11.991 1.00 0.00 C ATOM 609 CG LYS A 38 15.778 6.053 -11.774 1.00 0.00 C ATOM 610 CD LYS A 38 16.073 7.352 -12.483 1.00 0.00 C ATOM 611 CE LYS A 38 17.263 8.065 -11.870 1.00 0.00 C ATOM 612 NZ LYS A 38 17.389 9.447 -12.399 1.00 0.00 N ATOM 0 H LYS A 38 14.847 4.179 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 38 17.395 3.078 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.826 5.533 -12.070 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.693 4.519 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.827 5.655 -12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.666 6.241 -10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.269 7.155 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.197 7.999 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.153 8.096 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.175 7.506 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.385 9.643 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.814 9.543 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.056 10.124 -11.683 1.00 0.00 H new ATOM 626 N VAL A 39 17.230 5.410 -8.925 1.00 0.00 N ATOM 627 CA VAL A 39 17.990 6.034 -7.852 1.00 0.00 C ATOM 628 C VAL A 39 18.369 5.005 -6.790 1.00 0.00 C ATOM 629 O VAL A 39 19.461 5.062 -6.225 1.00 0.00 O ATOM 630 CB VAL A 39 17.225 7.216 -7.204 1.00 0.00 C ATOM 631 CG1 VAL A 39 15.990 6.745 -6.445 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.143 8.015 -6.287 1.00 0.00 C ATOM 0 H VAL A 39 16.256 5.705 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 39 18.899 6.437 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 39 16.886 7.865 -8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.483 7.604 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.313 6.236 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.289 6.058 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.586 8.840 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.522 7.367 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 39 18.979 8.411 -6.864 1.00 0.00 H new ATOM 642 N LYS A 40 17.482 4.045 -6.547 1.00 0.00 N ATOM 643 CA LYS A 40 17.741 3.028 -5.542 1.00 0.00 C ATOM 644 C LYS A 40 18.864 2.093 -5.998 1.00 0.00 C ATOM 645 O LYS A 40 19.668 1.639 -5.185 1.00 0.00 O ATOM 646 CB LYS A 40 16.461 2.253 -5.192 1.00 0.00 C ATOM 647 CG LYS A 40 16.024 1.226 -6.209 1.00 0.00 C ATOM 648 CD LYS A 40 14.521 0.976 -6.152 1.00 0.00 C ATOM 649 CE LYS A 40 14.046 0.464 -4.796 1.00 0.00 C ATOM 650 NZ LYS A 40 14.044 1.507 -3.733 1.00 0.00 N ATOM 0 H LYS A 40 16.587 3.953 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 40 18.073 3.525 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.611 1.751 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.651 2.968 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.298 1.564 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.555 0.291 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.996 1.902 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.251 0.252 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.038 0.062 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.687 -0.360 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.252 1.336 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.940 1.468 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.938 2.446 -4.168 1.00 0.00 H new ATOM 664 N ILE A 41 18.936 1.826 -7.301 1.00 0.00 N ATOM 665 CA ILE A 41 19.981 0.970 -7.838 1.00 0.00 C ATOM 666 C ILE A 41 21.313 1.712 -7.865 1.00 0.00 C ATOM 667 O ILE A 41 22.354 1.164 -7.501 1.00 0.00 O ATOM 668 CB ILE A 41 19.634 0.496 -9.257 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.326 -0.284 -9.240 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.757 -0.359 -9.827 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.784 -0.555 -10.619 1.00 0.00 C ATOM 0 H ILE A 41 18.285 2.190 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 41 20.062 0.099 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 41 19.514 1.370 -9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.481 -1.232 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.585 0.273 -8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.492 -0.685 -10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.676 0.226 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.909 -1.231 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.851 -1.114 -10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.599 0.390 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.509 -1.138 -11.187 1.00 0.00 H new ATOM 683 N HIS A 42 21.258 2.968 -8.283 1.00 0.00 N ATOM 684 CA HIS A 42 22.438 3.830 -8.341 1.00 0.00 C ATOM 685 C HIS A 42 23.112 3.952 -6.975 1.00 0.00 C ATOM 686 O HIS A 42 24.329 4.077 -6.889 1.00 0.00 O ATOM 687 CB HIS A 42 22.050 5.213 -8.888 1.00 0.00 C ATOM 688 CG HIS A 42 23.087 6.288 -8.690 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.405 6.159 -9.083 1.00 0.00 N ATOM 690 CD2 HIS A 42 22.984 7.516 -8.133 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.064 7.263 -8.772 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.224 8.099 -8.197 1.00 0.00 N ATOM 0 H HIS A 42 20.398 3.421 -8.592 1.00 0.00 H new ATOM 0 HA HIS A 42 23.161 3.374 -9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.843 5.121 -9.954 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.123 5.530 -8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.091 7.956 -7.715 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.112 7.447 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.458 9.031 -7.854 1.00 0.00 H new ATOM 701 N GLU A 43 22.329 3.902 -5.914 1.00 0.00 N ATOM 702 CA GLU A 43 22.874 4.030 -4.570 1.00 0.00 C ATOM 703 C GLU A 43 23.303 2.670 -4.034 1.00 0.00 C ATOM 704 O GLU A 43 24.225 2.569 -3.226 1.00 0.00 O ATOM 705 CB GLU A 43 21.844 4.655 -3.630 1.00 0.00 C ATOM 706 CG GLU A 43 21.415 6.058 -4.031 1.00 0.00 C ATOM 707 CD GLU A 43 22.562 7.046 -4.048 1.00 0.00 C ATOM 708 OE1 GLU A 43 22.832 7.665 -2.999 1.00 0.00 O ATOM 709 OE2 GLU A 43 23.187 7.222 -5.115 1.00 0.00 O ATOM 0 H GLU A 43 21.318 3.774 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 43 23.747 4.681 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.964 4.013 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.258 4.686 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.958 6.023 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.650 6.410 -3.339 1.00 0.00 H new ATOM 716 N ALA A 44 22.630 1.627 -4.497 1.00 0.00 N ATOM 717 CA ALA A 44 22.900 0.274 -4.034 1.00 0.00 C ATOM 718 C ALA A 44 24.118 -0.329 -4.727 1.00 0.00 C ATOM 719 O ALA A 44 24.962 -0.951 -4.086 1.00 0.00 O ATOM 720 CB ALA A 44 21.682 -0.610 -4.255 1.00 0.00 C ATOM 0 H ALA A 44 21.890 1.692 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 44 23.118 0.328 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.897 -1.620 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.834 -0.206 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.441 -0.638 -5.318 1.00 0.00 H new ATOM 726 N THR A 45 24.197 -0.161 -6.038 1.00 0.00 N ATOM 727 CA THR A 45 25.285 -0.738 -6.812 1.00 0.00 C ATOM 728 C THR A 45 26.354 0.310 -7.101 1.00 0.00 C ATOM 729 O THR A 45 27.551 0.052 -6.969 1.00 0.00 O ATOM 730 CB THR A 45 24.769 -1.323 -8.149 1.00 0.00 C ATOM 731 OG1 THR A 45 24.562 -0.279 -9.110 1.00 0.00 O ATOM 732 CG2 THR A 45 23.452 -2.046 -7.938 1.00 0.00 C ATOM 0 H THR A 45 23.521 0.370 -6.588 1.00 0.00 H new ATOM 0 HA THR A 45 25.718 -1.543 -6.218 1.00 0.00 H new ATOM 0 HB THR A 45 25.521 -2.020 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.852 0.319 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.103 -2.451 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.593 -2.860 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.712 -1.347 -7.548 1.00 0.00 H new ATOM 740 N GLY A 46 25.902 1.487 -7.505 1.00 0.00 N ATOM 741 CA GLY A 46 26.800 2.563 -7.844 1.00 0.00 C ATOM 742 C GLY A 46 26.530 3.100 -9.233 1.00 0.00 C ATOM 743 O GLY A 46 26.940 4.210 -9.571 1.00 0.00 O ATOM 0 H GLY A 46 24.913 1.715 -7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.695 3.367 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.830 2.210 -7.784 1.00 0.00 H new ATOM 747 N MET A 47 25.810 2.323 -10.032 1.00 0.00 N ATOM 748 CA MET A 47 25.552 2.683 -11.423 1.00 0.00 C ATOM 749 C MET A 47 24.373 3.652 -11.541 1.00 0.00 C ATOM 750 O MET A 47 23.242 3.334 -11.184 1.00 0.00 O ATOM 751 CB MET A 47 25.296 1.426 -12.260 1.00 0.00 C ATOM 752 CG MET A 47 24.000 0.711 -11.918 1.00 0.00 C ATOM 753 SD MET A 47 23.977 -1.022 -12.427 1.00 0.00 S ATOM 754 CE MET A 47 23.915 -0.884 -14.212 1.00 0.00 C ATOM 0 H MET A 47 25.393 1.438 -9.742 1.00 0.00 H new ATOM 0 HA MET A 47 26.438 3.189 -11.807 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.280 1.701 -13.315 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.128 0.735 -12.123 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.836 0.768 -10.842 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.170 1.232 -12.395 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.685 -1.517 -14.653 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.935 -1.203 -14.568 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.087 0.152 -14.503 1.00 0.00 H new ATOM 764 N PRO A 48 24.636 4.869 -12.019 1.00 0.00 N ATOM 765 CA PRO A 48 23.590 5.857 -12.270 1.00 0.00 C ATOM 766 C PRO A 48 22.682 5.447 -13.427 1.00 0.00 C ATOM 767 O PRO A 48 23.043 4.591 -14.242 1.00 0.00 O ATOM 768 CB PRO A 48 24.363 7.132 -12.611 1.00 0.00 C ATOM 769 CG PRO A 48 25.712 6.675 -13.044 1.00 0.00 C ATOM 770 CD PRO A 48 25.977 5.381 -12.327 1.00 0.00 C ATOM 0 HA PRO A 48 22.926 5.975 -11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 48 23.866 7.693 -13.403 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.431 7.793 -11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.745 6.533 -14.124 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.471 7.418 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.537 4.685 -12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.563 5.538 -11.421 1.00 0.00 H new ATOM 778 N ALA A 49 21.520 6.076 -13.508 1.00 0.00 N ATOM 779 CA ALA A 49 20.519 5.727 -14.515 1.00 0.00 C ATOM 780 C ALA A 49 20.971 6.107 -15.919 1.00 0.00 C ATOM 781 O ALA A 49 20.322 5.759 -16.907 1.00 0.00 O ATOM 782 CB ALA A 49 19.205 6.406 -14.203 1.00 0.00 C ATOM 0 H ALA A 49 21.242 6.836 -12.887 1.00 0.00 H new ATOM 0 HA ALA A 49 20.390 4.645 -14.484 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.468 6.138 -14.960 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.852 6.083 -13.223 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.346 7.487 -14.200 1.00 0.00 H new ATOM 788 N GLY A 50 22.079 6.831 -15.999 1.00 0.00 N ATOM 789 CA GLY A 50 22.630 7.220 -17.280 1.00 0.00 C ATOM 790 C GLY A 50 22.993 6.027 -18.138 1.00 0.00 C ATOM 791 O GLY A 50 22.968 6.107 -19.360 1.00 0.00 O ATOM 0 H GLY A 50 22.609 7.158 -15.191 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.907 7.839 -17.811 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.517 7.833 -17.120 1.00 0.00 H new ATOM 795 N LYS A 51 23.326 4.919 -17.488 1.00 0.00 N ATOM 796 CA LYS A 51 23.714 3.704 -18.186 1.00 0.00 C ATOM 797 C LYS A 51 22.890 2.528 -17.678 1.00 0.00 C ATOM 798 O LYS A 51 22.720 1.527 -18.370 1.00 0.00 O ATOM 799 CB LYS A 51 25.209 3.396 -18.011 1.00 0.00 C ATOM 800 CG LYS A 51 26.054 4.543 -17.467 1.00 0.00 C ATOM 801 CD LYS A 51 25.844 4.744 -15.970 1.00 0.00 C ATOM 802 CE LYS A 51 25.915 3.435 -15.210 1.00 0.00 C ATOM 803 NZ LYS A 51 27.241 2.781 -15.384 1.00 0.00 N ATOM 0 H LYS A 51 23.334 4.839 -16.471 1.00 0.00 H new ATOM 0 HA LYS A 51 23.525 3.861 -19.248 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.311 2.543 -17.341 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.616 3.094 -18.976 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.107 4.342 -17.662 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.802 5.462 -17.996 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.600 5.429 -15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.874 5.211 -15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.733 3.616 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.128 2.766 -15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.231 1.849 -14.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.440 2.664 -16.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 27.979 3.373 -14.952 1.00 0.00 H new ATOM 817 N GLN A 52 22.396 2.658 -16.457 1.00 0.00 N ATOM 818 CA GLN A 52 21.533 1.657 -15.857 1.00 0.00 C ATOM 819 C GLN A 52 20.141 1.711 -16.496 1.00 0.00 C ATOM 820 O GLN A 52 19.427 2.706 -16.369 1.00 0.00 O ATOM 821 CB GLN A 52 21.459 1.916 -14.349 1.00 0.00 C ATOM 822 CG GLN A 52 20.260 1.273 -13.673 1.00 0.00 C ATOM 823 CD GLN A 52 19.578 2.156 -12.643 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.368 2.082 -12.479 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.332 2.960 -11.912 1.00 0.00 N ATOM 0 H GLN A 52 22.583 3.460 -15.856 1.00 0.00 H new ATOM 0 HA GLN A 52 21.937 0.659 -16.029 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.370 1.544 -13.881 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.428 2.992 -14.176 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.533 0.996 -14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.581 0.351 -13.189 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.339 3.000 -12.072 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.907 3.540 -11.188 1.00 0.00 H new ATOM 834 N LYS A 53 19.781 0.654 -17.211 1.00 0.00 N ATOM 835 CA LYS A 53 18.483 0.582 -17.869 1.00 0.00 C ATOM 836 C LYS A 53 17.563 -0.401 -17.153 1.00 0.00 C ATOM 837 O LYS A 53 17.999 -1.461 -16.702 1.00 0.00 O ATOM 838 CB LYS A 53 18.645 0.169 -19.341 1.00 0.00 C ATOM 839 CG LYS A 53 19.600 1.051 -20.148 1.00 0.00 C ATOM 840 CD LYS A 53 18.951 2.352 -20.629 1.00 0.00 C ATOM 841 CE LYS A 53 18.475 3.217 -19.474 1.00 0.00 C ATOM 842 NZ LYS A 53 18.036 4.569 -19.906 1.00 0.00 N ATOM 0 H LYS A 53 20.370 -0.167 -17.350 1.00 0.00 H new ATOM 0 HA LYS A 53 18.032 1.573 -17.827 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.002 -0.860 -19.379 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.666 0.184 -19.819 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.470 1.290 -19.536 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.961 0.491 -21.011 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.667 2.913 -21.230 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.106 2.117 -21.277 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.649 2.717 -18.969 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.280 3.317 -18.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.723 5.113 -19.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.829 5.062 -20.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.249 4.480 -20.580 1.00 0.00 H new ATOM 856 N LEU A 54 16.289 -0.038 -17.049 1.00 0.00 N ATOM 857 CA LEU A 54 15.302 -0.881 -16.385 1.00 0.00 C ATOM 858 C LEU A 54 14.305 -1.408 -17.404 1.00 0.00 C ATOM 859 O LEU A 54 13.676 -0.638 -18.129 1.00 0.00 O ATOM 860 CB LEU A 54 14.552 -0.112 -15.285 1.00 0.00 C ATOM 861 CG LEU A 54 15.406 0.490 -14.165 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.450 -0.506 -13.697 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.048 1.796 -14.612 1.00 0.00 C ATOM 0 H LEU A 54 15.915 0.837 -17.417 1.00 0.00 H new ATOM 0 HA LEU A 54 15.832 -1.712 -15.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.990 0.695 -15.756 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.824 -0.786 -14.834 1.00 0.00 H new ATOM 0 HG LEU A 54 14.755 0.716 -13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.047 -0.060 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.956 -1.402 -13.322 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.099 -0.772 -14.532 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.649 2.203 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.685 1.611 -15.477 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.270 2.510 -14.881 1.00 0.00 H new ATOM 875 N GLN A 55 14.172 -2.716 -17.466 1.00 0.00 N ATOM 876 CA GLN A 55 13.268 -3.346 -18.409 1.00 0.00 C ATOM 877 C GLN A 55 12.147 -4.081 -17.684 1.00 0.00 C ATOM 878 O GLN A 55 12.383 -5.057 -16.985 1.00 0.00 O ATOM 879 CB GLN A 55 14.055 -4.304 -19.295 1.00 0.00 C ATOM 880 CG GLN A 55 13.195 -5.238 -20.123 1.00 0.00 C ATOM 881 CD GLN A 55 14.019 -6.152 -21.002 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.434 -7.227 -20.579 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.242 -5.741 -22.239 1.00 0.00 N ATOM 0 H GLN A 55 14.682 -3.369 -16.871 1.00 0.00 H new ATOM 0 HA GLN A 55 12.808 -2.576 -19.029 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.689 -3.723 -19.965 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.717 -4.900 -18.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.574 -5.839 -19.460 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.520 -4.650 -20.746 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.879 -4.840 -22.550 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.777 -6.325 -22.882 1.00 0.00 H new ATOM 892 N TYR A 56 10.923 -3.625 -17.873 1.00 0.00 N ATOM 893 CA TYR A 56 9.774 -4.253 -17.236 1.00 0.00 C ATOM 894 C TYR A 56 9.049 -5.127 -18.223 1.00 0.00 C ATOM 895 O TYR A 56 8.410 -4.645 -19.148 1.00 0.00 O ATOM 896 CB TYR A 56 8.839 -3.198 -16.647 1.00 0.00 C ATOM 897 CG TYR A 56 7.504 -3.733 -16.149 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.434 -4.900 -15.397 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.315 -3.068 -16.429 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.224 -5.387 -14.940 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.101 -3.549 -15.974 1.00 0.00 C ATOM 902 CZ TYR A 56 5.062 -4.708 -15.229 1.00 0.00 C ATOM 903 OH TYR A 56 3.857 -5.190 -14.768 1.00 0.00 O ATOM 0 H TYR A 56 10.696 -2.823 -18.461 1.00 0.00 H new ATOM 0 HA TYR A 56 10.127 -4.879 -16.417 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.348 -2.704 -15.819 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.650 -2.437 -17.404 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.342 -5.436 -15.165 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.340 -2.159 -17.012 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.190 -6.297 -14.359 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.188 -3.019 -16.201 1.00 0.00 H new ATOM 0 HH TYR A 56 3.134 -4.595 -15.057 1.00 0.00 H new ATOM 913 N GLU A 57 9.197 -6.426 -18.015 1.00 0.00 N ATOM 914 CA GLU A 57 8.587 -7.439 -18.863 1.00 0.00 C ATOM 915 C GLU A 57 8.993 -7.282 -20.326 1.00 0.00 C ATOM 916 O GLU A 57 8.265 -7.678 -21.235 1.00 0.00 O ATOM 917 CB GLU A 57 7.072 -7.382 -18.709 1.00 0.00 C ATOM 918 CG GLU A 57 6.610 -7.842 -17.341 1.00 0.00 C ATOM 919 CD GLU A 57 6.874 -9.319 -17.102 1.00 0.00 C ATOM 920 OE1 GLU A 57 8.045 -9.743 -17.201 1.00 0.00 O ATOM 921 OE2 GLU A 57 5.914 -10.067 -16.827 1.00 0.00 O ATOM 0 H GLU A 57 9.748 -6.810 -17.247 1.00 0.00 H new ATOM 0 HA GLU A 57 8.948 -8.416 -18.542 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.731 -6.361 -18.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.609 -8.005 -19.474 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.118 -7.257 -16.574 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.543 -7.646 -17.237 1.00 0.00 H new ATOM 928 N GLY A 58 10.187 -6.752 -20.543 1.00 0.00 N ATOM 929 CA GLY A 58 10.689 -6.589 -21.893 1.00 0.00 C ATOM 930 C GLY A 58 10.478 -5.183 -22.411 1.00 0.00 C ATOM 931 O GLY A 58 10.604 -4.925 -23.607 1.00 0.00 O ATOM 0 H GLY A 58 10.818 -6.431 -19.809 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.752 -6.828 -21.916 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.189 -7.297 -22.554 1.00 0.00 H new ATOM 935 N ILE A 59 10.176 -4.268 -21.500 1.00 0.00 N ATOM 936 CA ILE A 59 9.912 -2.887 -21.855 1.00 0.00 C ATOM 937 C ILE A 59 10.951 -1.995 -21.204 1.00 0.00 C ATOM 938 O ILE A 59 11.036 -1.940 -19.977 1.00 0.00 O ATOM 939 CB ILE A 59 8.509 -2.444 -21.385 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.461 -3.489 -21.788 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.163 -1.080 -21.969 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.106 -3.278 -21.147 1.00 0.00 C ATOM 0 H ILE A 59 10.108 -4.464 -20.501 1.00 0.00 H new ATOM 0 HA ILE A 59 9.958 -2.801 -22.941 1.00 0.00 H new ATOM 0 HB ILE A 59 8.511 -2.361 -20.298 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.346 -3.474 -22.872 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.828 -4.480 -21.520 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.172 -0.780 -21.630 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.897 -0.346 -21.638 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.172 -1.137 -23.057 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.420 -4.057 -21.481 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.206 -3.323 -20.062 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.715 -2.302 -21.435 1.00 0.00 H new ATOM 954 N PHE A 60 11.761 -1.326 -22.010 1.00 0.00 N ATOM 955 CA PHE A 60 12.754 -0.413 -21.475 1.00 0.00 C ATOM 956 C PHE A 60 12.078 0.836 -20.945 1.00 0.00 C ATOM 957 O PHE A 60 11.754 1.758 -21.697 1.00 0.00 O ATOM 958 CB PHE A 60 13.802 -0.050 -22.527 1.00 0.00 C ATOM 959 CG PHE A 60 14.759 -1.167 -22.829 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.133 -2.058 -21.837 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.292 -1.318 -24.098 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.024 -3.079 -22.104 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.182 -2.340 -24.372 1.00 0.00 C ATOM 964 CZ PHE A 60 16.546 -3.222 -23.374 1.00 0.00 C ATOM 0 H PHE A 60 11.750 -1.398 -23.027 1.00 0.00 H new ATOM 0 HA PHE A 60 13.269 -0.914 -20.655 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.296 0.243 -23.447 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.365 0.818 -22.183 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.723 -1.953 -20.843 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.010 -0.631 -24.882 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.312 -3.764 -21.321 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.592 -2.448 -25.365 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.238 -4.023 -23.587 1.00 0.00 H new ATOM 974 N ILE A 61 11.826 0.832 -19.649 1.00 0.00 N ATOM 975 CA ILE A 61 11.198 1.963 -18.989 1.00 0.00 C ATOM 976 C ILE A 61 12.251 3.002 -18.620 1.00 0.00 C ATOM 977 O ILE A 61 13.427 2.677 -18.451 1.00 0.00 O ATOM 978 CB ILE A 61 10.422 1.521 -17.722 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.372 1.348 -16.525 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.643 0.237 -18.005 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.007 0.210 -15.596 1.00 0.00 C ATOM 0 H ILE A 61 12.048 0.053 -19.029 1.00 0.00 H new ATOM 0 HA ILE A 61 10.483 2.402 -19.684 1.00 0.00 H new ATOM 0 HB ILE A 61 9.709 2.303 -17.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.383 1.185 -16.899 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.389 2.276 -15.954 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.101 -0.065 -17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.935 0.412 -18.815 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.336 -0.553 -18.293 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.729 0.160 -14.781 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.010 0.378 -15.188 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.019 -0.729 -16.149 1.00 0.00 H new ATOM 993 N LYS A 62 11.834 4.249 -18.515 1.00 0.00 N ATOM 994 CA LYS A 62 12.752 5.323 -18.169 1.00 0.00 C ATOM 995 C LYS A 62 12.192 6.214 -17.076 1.00 0.00 C ATOM 996 O LYS A 62 11.041 6.064 -16.663 1.00 0.00 O ATOM 997 CB LYS A 62 13.123 6.158 -19.399 1.00 0.00 C ATOM 998 CG LYS A 62 12.001 6.375 -20.399 1.00 0.00 C ATOM 999 CD LYS A 62 10.951 7.353 -19.918 1.00 0.00 C ATOM 1000 CE LYS A 62 9.958 7.683 -21.024 1.00 0.00 C ATOM 1001 NZ LYS A 62 10.608 8.329 -22.197 1.00 0.00 N ATOM 0 H LYS A 62 10.869 4.545 -18.663 1.00 0.00 H new ATOM 0 HA LYS A 62 13.658 4.852 -17.786 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.481 7.131 -19.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.954 5.672 -19.910 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.424 6.738 -21.336 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.525 5.418 -20.614 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.421 6.931 -19.064 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.433 8.268 -19.574 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.460 6.768 -21.346 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.186 8.344 -20.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.889 8.818 -22.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.315 9.017 -21.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.076 7.604 -22.778 1.00 0.00 H new ATOM 1015 N ASP A 63 13.025 7.148 -16.640 1.00 0.00 N ATOM 1016 CA ASP A 63 12.717 8.070 -15.548 1.00 0.00 C ATOM 1017 C ASP A 63 11.389 8.784 -15.775 1.00 0.00 C ATOM 1018 O ASP A 63 10.702 9.146 -14.824 1.00 0.00 O ATOM 1019 CB ASP A 63 13.806 9.156 -15.437 1.00 0.00 C ATOM 1020 CG ASP A 63 15.244 8.657 -15.532 1.00 0.00 C ATOM 1021 OD1 ASP A 63 15.533 7.746 -16.344 1.00 0.00 O ATOM 1022 OD2 ASP A 63 16.108 9.213 -14.813 1.00 0.00 O ATOM 0 H ASP A 63 13.952 7.292 -17.041 1.00 0.00 H new ATOM 0 HA ASP A 63 12.666 7.472 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.642 9.891 -16.225 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.682 9.674 -14.486 1.00 0.00 H new ATOM 1027 N SER A 64 11.017 8.971 -17.036 1.00 0.00 N ATOM 1028 CA SER A 64 9.882 9.829 -17.356 1.00 0.00 C ATOM 1029 C SER A 64 8.566 9.051 -17.293 1.00 0.00 C ATOM 1030 O SER A 64 7.515 9.547 -17.700 1.00 0.00 O ATOM 1031 CB SER A 64 10.072 10.449 -18.737 1.00 0.00 C ATOM 1032 OG SER A 64 11.397 10.930 -18.897 1.00 0.00 O ATOM 0 H SER A 64 11.476 8.548 -17.842 1.00 0.00 H new ATOM 0 HA SER A 64 9.833 10.625 -16.613 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.854 9.708 -19.506 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.365 11.267 -18.873 1.00 0.00 H new ATOM 0 HG SER A 64 11.497 11.322 -19.790 1.00 0.00 H new ATOM 1038 N ASN A 65 8.632 7.838 -16.765 1.00 0.00 N ATOM 1039 CA ASN A 65 7.464 6.985 -16.644 1.00 0.00 C ATOM 1040 C ASN A 65 7.154 6.762 -15.179 1.00 0.00 C ATOM 1041 O ASN A 65 7.932 7.150 -14.307 1.00 0.00 O ATOM 1042 CB ASN A 65 7.705 5.636 -17.328 1.00 0.00 C ATOM 1043 CG ASN A 65 7.919 5.758 -18.825 1.00 0.00 C ATOM 1044 OD1 ASN A 65 8.726 4.865 -19.376 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 7.368 6.642 -19.477 1.00 0.00 N flip ATOM 0 H ASN A 65 9.493 7.421 -16.411 1.00 0.00 H new ATOM 0 HA ASN A 65 6.621 7.475 -17.131 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.577 5.159 -16.880 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.853 4.983 -17.141 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.753 7.310 -19.013 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.525 6.707 -20.483 1.00 0.00 H new ATOM 1052 N SER A 66 6.035 6.131 -14.904 1.00 0.00 N ATOM 1053 CA SER A 66 5.650 5.851 -13.542 1.00 0.00 C ATOM 1054 C SER A 66 5.276 4.386 -13.418 1.00 0.00 C ATOM 1055 O SER A 66 5.102 3.699 -14.429 1.00 0.00 O ATOM 1056 CB SER A 66 4.479 6.743 -13.128 1.00 0.00 C ATOM 1057 OG SER A 66 3.312 6.431 -13.869 1.00 0.00 O ATOM 0 H SER A 66 5.375 5.802 -15.608 1.00 0.00 H new ATOM 0 HA SER A 66 6.488 6.063 -12.877 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.282 6.618 -12.063 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.743 7.789 -13.283 1.00 0.00 H new ATOM 0 HG SER A 66 2.578 7.014 -13.584 1.00 0.00 H new ATOM 1063 N LEU A 67 5.165 3.907 -12.196 1.00 0.00 N ATOM 1064 CA LEU A 67 4.761 2.532 -11.964 1.00 0.00 C ATOM 1065 C LEU A 67 3.319 2.339 -12.426 1.00 0.00 C ATOM 1066 O LEU A 67 2.994 1.354 -13.090 1.00 0.00 O ATOM 1067 CB LEU A 67 4.897 2.194 -10.479 1.00 0.00 C ATOM 1068 CG LEU A 67 6.211 2.642 -9.833 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.178 2.434 -8.332 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.393 1.911 -10.441 1.00 0.00 C ATOM 0 H LEU A 67 5.348 4.446 -11.349 1.00 0.00 H new ATOM 0 HA LEU A 67 5.406 1.862 -12.532 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.069 2.653 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.798 1.115 -10.356 1.00 0.00 H new ATOM 0 HG LEU A 67 6.329 3.708 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.123 2.760 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.362 3.015 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.025 1.377 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.314 2.248 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.276 0.838 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.440 2.121 -11.510 1.00 0.00 H new ATOM 1082 N ALA A 68 2.464 3.300 -12.079 1.00 0.00 N ATOM 1083 CA ALA A 68 1.068 3.301 -12.512 1.00 0.00 C ATOM 1084 C ALA A 68 0.951 3.301 -14.034 1.00 0.00 C ATOM 1085 O ALA A 68 0.084 2.629 -14.593 1.00 0.00 O ATOM 1086 CB ALA A 68 0.340 4.503 -11.930 1.00 0.00 C ATOM 0 H ALA A 68 2.718 4.095 -11.493 1.00 0.00 H new ATOM 0 HA ALA A 68 0.605 2.386 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.699 4.494 -12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.376 4.458 -10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.820 5.420 -12.272 1.00 0.00 H new ATOM 1092 N TYR A 69 1.832 4.049 -14.693 1.00 0.00 N ATOM 1093 CA TYR A 69 1.845 4.148 -16.154 1.00 0.00 C ATOM 1094 C TYR A 69 1.996 2.771 -16.803 1.00 0.00 C ATOM 1095 O TYR A 69 1.345 2.473 -17.804 1.00 0.00 O ATOM 1096 CB TYR A 69 2.981 5.077 -16.595 1.00 0.00 C ATOM 1097 CG TYR A 69 3.200 5.145 -18.090 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.434 5.978 -18.894 1.00 0.00 C ATOM 1099 CD2 TYR A 69 4.181 4.375 -18.694 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.641 6.038 -20.259 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.395 4.429 -20.054 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.624 5.260 -20.834 1.00 0.00 C ATOM 1103 OH TYR A 69 3.838 5.314 -22.192 1.00 0.00 O ATOM 0 H TYR A 69 2.555 4.602 -14.234 1.00 0.00 H new ATOM 0 HA TYR A 69 0.892 4.563 -16.482 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.774 6.082 -16.226 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.906 4.748 -16.121 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.664 6.589 -18.446 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.789 3.720 -18.087 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.037 6.690 -20.872 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.165 3.821 -20.506 1.00 0.00 H new ATOM 0 HH TYR A 69 4.567 4.705 -22.433 1.00 0.00 H new ATOM 1113 N TYR A 70 2.851 1.934 -16.231 1.00 0.00 N ATOM 1114 CA TYR A 70 3.044 0.581 -16.748 1.00 0.00 C ATOM 1115 C TYR A 70 2.184 -0.429 -16.000 1.00 0.00 C ATOM 1116 O TYR A 70 2.293 -1.635 -16.226 1.00 0.00 O ATOM 1117 CB TYR A 70 4.515 0.173 -16.682 1.00 0.00 C ATOM 1118 CG TYR A 70 5.354 0.804 -17.763 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.234 0.389 -19.083 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.255 1.814 -17.471 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.989 0.964 -20.082 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.015 2.396 -18.465 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.880 1.967 -19.768 1.00 0.00 C ATOM 1124 OH TYR A 70 7.637 2.549 -20.760 1.00 0.00 O ATOM 0 H TYR A 70 3.419 2.163 -15.415 1.00 0.00 H new ATOM 0 HA TYR A 70 2.731 0.586 -17.792 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.919 0.451 -15.709 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.589 -0.912 -16.760 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.537 -0.398 -19.331 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.365 2.151 -16.451 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.883 0.631 -21.104 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.713 3.184 -18.223 1.00 0.00 H new ATOM 0 HH TYR A 70 8.053 3.367 -20.417 1.00 0.00 H new ATOM 1134 N ASN A 71 1.325 0.080 -15.121 1.00 0.00 N ATOM 1135 CA ASN A 71 0.402 -0.750 -14.350 1.00 0.00 C ATOM 1136 C ASN A 71 1.160 -1.762 -13.498 1.00 0.00 C ATOM 1137 O ASN A 71 0.727 -2.906 -13.356 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.572 -1.497 -15.272 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.342 -0.595 -16.221 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.702 -1.010 -17.323 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.610 0.635 -15.809 1.00 0.00 N ATOM 0 H ASN A 71 1.249 1.078 -14.923 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.164 -0.084 -13.699 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.014 -2.229 -15.856 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.282 -2.052 -14.659 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.131 1.273 -16.411 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.296 0.945 -14.889 1.00 0.00 H new ATOM 1148 N MET A 72 2.285 -1.337 -12.929 1.00 0.00 N ATOM 1149 CA MET A 72 3.095 -2.209 -12.083 1.00 0.00 C ATOM 1150 C MET A 72 2.364 -2.551 -10.792 1.00 0.00 C ATOM 1151 O MET A 72 2.501 -1.865 -9.782 1.00 0.00 O ATOM 1152 CB MET A 72 4.440 -1.557 -11.754 1.00 0.00 C ATOM 1153 CG MET A 72 5.321 -1.326 -12.966 1.00 0.00 C ATOM 1154 SD MET A 72 6.930 -0.653 -12.522 1.00 0.00 S ATOM 1155 CE MET A 72 7.742 -0.618 -14.114 1.00 0.00 C ATOM 0 H MET A 72 2.657 -0.393 -13.039 1.00 0.00 H new ATOM 0 HA MET A 72 3.275 -3.129 -12.640 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.259 -0.602 -11.261 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.974 -2.187 -11.043 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.458 -2.268 -13.498 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.820 -0.642 -13.652 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.706 -1.122 -14.042 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.121 -1.127 -14.851 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.896 0.416 -14.421 1.00 0.00 H new ATOM 1165 N ALA A 73 1.562 -3.600 -10.844 1.00 0.00 N ATOM 1166 CA ALA A 73 0.836 -4.071 -9.679 1.00 0.00 C ATOM 1167 C ALA A 73 1.724 -4.973 -8.832 1.00 0.00 C ATOM 1168 O ALA A 73 2.934 -5.043 -9.046 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.421 -4.809 -10.111 1.00 0.00 C ATOM 0 H ALA A 73 1.397 -4.146 -11.690 1.00 0.00 H new ATOM 0 HA ALA A 73 0.544 -3.213 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.959 -5.158 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.060 -4.136 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.147 -5.663 -10.731 1.00 0.00 H new ATOM 1175 N ASN A 74 1.121 -5.656 -7.868 1.00 0.00 N ATOM 1176 CA ASN A 74 1.854 -6.582 -7.020 1.00 0.00 C ATOM 1177 C ASN A 74 2.512 -7.655 -7.866 1.00 0.00 C ATOM 1178 O ASN A 74 1.835 -8.453 -8.517 1.00 0.00 O ATOM 1179 CB ASN A 74 0.926 -7.240 -5.990 1.00 0.00 C ATOM 1180 CG ASN A 74 0.482 -6.293 -4.892 1.00 0.00 C ATOM 1181 OD1 ASN A 74 0.334 -5.093 -5.109 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.263 -6.831 -3.706 1.00 0.00 N ATOM 0 H ASN A 74 0.126 -5.585 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 74 2.619 -6.016 -6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.046 -7.631 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.438 -8.091 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.041 -6.245 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.398 -7.833 -3.568 1.00 0.00 H new ATOM 1189 N GLY A 75 3.831 -7.663 -7.864 1.00 0.00 N ATOM 1190 CA GLY A 75 4.561 -8.666 -8.600 1.00 0.00 C ATOM 1191 C GLY A 75 5.142 -8.133 -9.893 1.00 0.00 C ATOM 1192 O GLY A 75 5.179 -8.846 -10.897 1.00 0.00 O ATOM 0 H GLY A 75 4.412 -6.990 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.367 -9.054 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.898 -9.503 -8.822 1.00 0.00 H new ATOM 1196 N ALA A 76 5.597 -6.887 -9.881 1.00 0.00 N ATOM 1197 CA ALA A 76 6.226 -6.312 -11.058 1.00 0.00 C ATOM 1198 C ALA A 76 7.690 -6.729 -11.122 1.00 0.00 C ATOM 1199 O ALA A 76 8.487 -6.366 -10.258 1.00 0.00 O ATOM 1200 CB ALA A 76 6.100 -4.801 -11.038 1.00 0.00 C ATOM 0 H ALA A 76 5.542 -6.262 -9.077 1.00 0.00 H new ATOM 0 HA ALA A 76 5.719 -6.685 -11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.576 -4.384 -11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.046 -4.524 -11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.588 -4.407 -10.146 1.00 0.00 H new ATOM 1206 N VAL A 77 8.035 -7.505 -12.139 1.00 0.00 N ATOM 1207 CA VAL A 77 9.397 -8.006 -12.285 1.00 0.00 C ATOM 1208 C VAL A 77 10.178 -7.153 -13.279 1.00 0.00 C ATOM 1209 O VAL A 77 10.007 -7.278 -14.494 1.00 0.00 O ATOM 1210 CB VAL A 77 9.429 -9.470 -12.771 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.845 -10.027 -12.693 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.467 -10.331 -11.970 1.00 0.00 C ATOM 0 H VAL A 77 7.394 -7.802 -12.875 1.00 0.00 H new ATOM 0 HA VAL A 77 9.854 -7.954 -11.297 1.00 0.00 H new ATOM 0 HB VAL A 77 9.108 -9.489 -13.812 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.849 -11.060 -13.040 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.506 -9.431 -13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.195 -9.989 -11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.509 -11.358 -12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.747 -10.306 -10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.453 -9.947 -12.085 1.00 0.00 H new ATOM 1222 N ILE A 78 11.026 -6.280 -12.766 1.00 0.00 N ATOM 1223 CA ILE A 78 11.854 -5.452 -13.619 1.00 0.00 C ATOM 1224 C ILE A 78 13.200 -6.125 -13.807 1.00 0.00 C ATOM 1225 O ILE A 78 13.651 -6.878 -12.951 1.00 0.00 O ATOM 1226 CB ILE A 78 12.070 -4.033 -13.039 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.778 -3.494 -12.414 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.571 -3.081 -14.115 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.557 -3.630 -13.292 1.00 0.00 C ATOM 0 H ILE A 78 11.158 -6.127 -11.766 1.00 0.00 H new ATOM 0 HA ILE A 78 11.337 -5.340 -14.572 1.00 0.00 H new ATOM 0 HB ILE A 78 12.827 -4.103 -12.258 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.596 -4.018 -11.476 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.919 -2.441 -12.169 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.716 -2.090 -13.685 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.518 -3.446 -14.512 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.838 -3.024 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.689 -3.224 -12.773 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.714 -3.081 -14.221 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.386 -4.683 -13.517 1.00 0.00 H new ATOM 1241 N HIS A 79 13.816 -5.882 -14.940 1.00 0.00 N ATOM 1242 CA HIS A 79 15.107 -6.459 -15.250 1.00 0.00 C ATOM 1243 C HIS A 79 16.113 -5.341 -15.377 1.00 0.00 C ATOM 1244 O HIS A 79 15.981 -4.476 -16.242 1.00 0.00 O ATOM 1245 CB HIS A 79 15.060 -7.259 -16.560 1.00 0.00 C ATOM 1246 CG HIS A 79 14.063 -8.377 -16.568 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.373 -9.666 -16.938 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.743 -8.381 -16.276 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.286 -10.411 -16.879 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.282 -9.657 -16.478 1.00 0.00 N ATOM 0 H HIS A 79 13.439 -5.281 -15.673 1.00 0.00 H new ATOM 0 HA HIS A 79 15.390 -7.143 -14.450 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.830 -6.578 -17.379 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.050 -7.670 -16.756 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.159 -7.535 -15.945 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.228 -11.462 -17.119 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.321 -9.971 -16.341 1.00 0.00 H new ATOM 1259 N LEU A 80 17.088 -5.340 -14.499 1.00 0.00 N ATOM 1260 CA LEU A 80 18.145 -4.354 -14.554 1.00 0.00 C ATOM 1261 C LEU A 80 19.186 -4.796 -15.562 1.00 0.00 C ATOM 1262 O LEU A 80 19.626 -5.946 -15.554 1.00 0.00 O ATOM 1263 CB LEU A 80 18.796 -4.165 -13.185 1.00 0.00 C ATOM 1264 CG LEU A 80 20.076 -3.330 -13.193 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.797 -1.935 -13.717 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.679 -3.260 -11.807 1.00 0.00 C ATOM 0 H LEU A 80 17.173 -6.012 -13.736 1.00 0.00 H new ATOM 0 HA LEU A 80 17.715 -3.399 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.075 -3.693 -12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.022 -5.146 -12.767 1.00 0.00 H new ATOM 0 HG LEU A 80 20.793 -3.814 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.720 -1.355 -13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.410 -1.999 -14.734 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.060 -1.447 -13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.589 -2.661 -11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.965 -2.802 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.918 -4.266 -11.463 1.00 0.00 H new ATOM 1278 N ALA A 81 19.569 -3.890 -16.432 1.00 0.00 N ATOM 1279 CA ALA A 81 20.554 -4.189 -17.442 1.00 0.00 C ATOM 1280 C ALA A 81 21.350 -2.946 -17.784 1.00 0.00 C ATOM 1281 O ALA A 81 20.829 -1.832 -17.748 1.00 0.00 O ATOM 1282 CB ALA A 81 19.877 -4.750 -18.679 1.00 0.00 C ATOM 0 H ALA A 81 19.210 -2.936 -16.459 1.00 0.00 H new ATOM 0 HA ALA A 81 21.243 -4.940 -17.054 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.629 -4.973 -19.436 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.343 -5.664 -18.419 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.172 -4.017 -19.072 1.00 0.00 H new ATOM 1288 N LEU A 82 22.619 -3.136 -18.085 1.00 0.00 N ATOM 1289 CA LEU A 82 23.455 -2.045 -18.536 1.00 0.00 C ATOM 1290 C LEU A 82 23.112 -1.733 -19.985 1.00 0.00 C ATOM 1291 O LEU A 82 22.764 -2.640 -20.746 1.00 0.00 O ATOM 1292 CB LEU A 82 24.934 -2.419 -18.384 1.00 0.00 C ATOM 1293 CG LEU A 82 25.945 -1.332 -18.759 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.620 -0.029 -18.050 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.348 -1.784 -18.396 1.00 0.00 C ATOM 0 H LEU A 82 23.093 -4.037 -18.025 1.00 0.00 H new ATOM 0 HA LEU A 82 23.274 -1.157 -17.930 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.110 -2.709 -17.348 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.131 -3.297 -18.999 1.00 0.00 H new ATOM 0 HG LEU A 82 25.889 -1.163 -19.834 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.351 0.730 -18.330 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.623 0.303 -18.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.653 -0.184 -16.972 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.062 -1.006 -18.666 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.404 -1.972 -17.324 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.587 -2.699 -18.938 1.00 0.00 H new