USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 59 MET CE :methyl -142:sc= -10.2! (180deg=-9.67!) USER MOD Set 2.2: A 88 MET CE :methyl 149:sc= -14.5! (180deg=-14.7!) USER MOD Set 2.3: B 72 THR OG1 : rot 71:sc= -3.65! USER MOD Set 3.1: A 51 THR OG1 : rot -176:sc= -1.8! USER MOD Set 3.2: A 97 MET CE :methyl -116:sc= -7.39! (180deg=-11.8!) USER MOD Set 4.1: A 28 THR OG1 : rot -153:sc= -4.87! USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -1.15 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0.992 USER MOD Set 5.2: A 32 THR OG1 : rot -128:sc= 1.17 USER MOD Single : A 3 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-6.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.81 K(o=-0.81,f=-0.072) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -131:sc= 0.00378 USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= -0.445 (180deg=-1.57!) USER MOD Single : A 38 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.16) USER MOD Single : A 43 SER OG : rot 180:sc= -0.613 USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.75! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.2!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0847 USER MOD Single : A 55 SER OG : rot 70:sc= -1.97 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -169:sc= -3.05 (180deg=-3.66!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0038 X(o=-0.0038,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.067) USER MOD Single : A 93 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.558 K(o=-0.56,f=-2.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0745 X(o=-0.075,f=-0.33) USER MOD Single : A 106 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.23) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -95:sc= 1.67 USER MOD Single : A 112 LYS NZ :NH3+ -122:sc= 0.986 (180deg=-1.48) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.667 -13.678 3.628 1.00 0.00 N ATOM 29 CA HIS A 3 1.152 -13.112 2.368 1.00 0.00 C ATOM 30 C HIS A 3 0.066 -13.124 1.304 1.00 0.00 C ATOM 31 O HIS A 3 -0.262 -12.090 0.723 1.00 0.00 O ATOM 32 CB HIS A 3 2.387 -13.868 1.866 1.00 0.00 C ATOM 33 CG HIS A 3 3.359 -14.220 2.950 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.344 -13.630 4.197 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.380 -15.110 2.969 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.314 -14.141 4.935 1.00 0.00 C ATOM 37 NE2 HIS A 3 4.956 -15.041 4.214 1.00 0.00 N ATOM 0 HA HIS A 3 1.432 -12.077 2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.065 -14.782 1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.895 -13.260 1.118 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.687 -12.912 4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.684 -15.754 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.543 -13.868 5.955 1.00 0.00 H new ATOM 46 N SER A 4 -0.490 -14.294 1.054 1.00 0.00 N ATOM 47 CA SER A 4 -1.544 -14.429 0.060 1.00 0.00 C ATOM 48 C SER A 4 -2.879 -13.982 0.634 1.00 0.00 C ATOM 49 O SER A 4 -3.258 -14.364 1.742 1.00 0.00 O ATOM 50 CB SER A 4 -1.652 -15.865 -0.450 1.00 0.00 C ATOM 51 OG SER A 4 -2.086 -16.742 0.576 1.00 0.00 O ATOM 0 H SER A 4 -0.233 -15.163 1.522 1.00 0.00 H new ATOM 0 HA SER A 4 -1.284 -13.788 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.350 -15.905 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.684 -16.194 -0.827 1.00 0.00 H new ATOM 0 HG SER A 4 -2.148 -17.654 0.222 1.00 0.00 H new ATOM 57 N GLY A 5 -3.580 -13.167 -0.132 1.00 0.00 N ATOM 58 CA GLY A 5 -4.867 -12.658 0.286 1.00 0.00 C ATOM 59 C GLY A 5 -5.663 -12.161 -0.895 1.00 0.00 C ATOM 60 O GLY A 5 -5.198 -12.237 -2.030 1.00 0.00 O ATOM 0 H GLY A 5 -3.276 -12.844 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.423 -13.443 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.726 -11.847 1.001 1.00 0.00 H new ATOM 64 N ALA A 6 -6.858 -11.653 -0.647 1.00 0.00 N ATOM 65 CA ALA A 6 -7.690 -11.149 -1.727 1.00 0.00 C ATOM 66 C ALA A 6 -7.763 -9.630 -1.701 1.00 0.00 C ATOM 67 O ALA A 6 -7.838 -9.016 -0.637 1.00 0.00 O ATOM 68 CB ALA A 6 -9.080 -11.755 -1.664 1.00 0.00 C ATOM 0 H ALA A 6 -7.271 -11.579 0.283 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.230 -11.446 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.685 -11.363 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.009 -12.839 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.546 -11.498 -0.713 1.00 0.00 H new ATOM 74 N ALA A 7 -7.735 -9.034 -2.885 1.00 0.00 N ATOM 75 CA ALA A 7 -7.792 -7.586 -3.014 1.00 0.00 C ATOM 76 C ALA A 7 -8.411 -7.184 -4.343 1.00 0.00 C ATOM 77 O ALA A 7 -8.454 -7.981 -5.280 1.00 0.00 O ATOM 78 CB ALA A 7 -6.401 -6.989 -2.873 1.00 0.00 C ATOM 0 H ALA A 7 -7.673 -9.534 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.423 -7.196 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.459 -5.905 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.993 -7.243 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.752 -7.390 -3.652 1.00 0.00 H new ATOM 84 N ILE A 8 -8.895 -5.950 -4.425 1.00 0.00 N ATOM 85 CA ILE A 8 -9.510 -5.471 -5.651 1.00 0.00 C ATOM 86 C ILE A 8 -8.970 -4.107 -6.058 1.00 0.00 C ATOM 87 O ILE A 8 -8.674 -3.260 -5.215 1.00 0.00 O ATOM 88 CB ILE A 8 -11.039 -5.386 -5.517 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.616 -6.755 -5.175 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.647 -4.868 -6.809 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.801 -6.689 -4.238 1.00 0.00 C ATOM 0 H ILE A 8 -8.873 -5.271 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.257 -6.196 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.283 -4.694 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.917 -7.255 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.836 -7.367 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.730 -4.811 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.251 -3.876 -7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.396 -5.545 -7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.162 -7.698 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.499 -6.218 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.597 -6.104 -4.699 1.00 0.00 H new ATOM 103 N PHE A 9 -8.854 -3.907 -7.364 1.00 0.00 N ATOM 104 CA PHE A 9 -8.357 -2.651 -7.909 1.00 0.00 C ATOM 105 C PHE A 9 -9.075 -2.310 -9.213 1.00 0.00 C ATOM 106 O PHE A 9 -9.373 -3.193 -10.017 1.00 0.00 O ATOM 107 CB PHE A 9 -6.848 -2.737 -8.139 1.00 0.00 C ATOM 108 CG PHE A 9 -6.262 -1.492 -8.733 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.347 -1.259 -10.093 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.629 -0.555 -7.932 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.810 -0.113 -10.649 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.089 0.593 -8.479 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.180 0.814 -9.841 1.00 0.00 C ATOM 0 H PHE A 9 -9.099 -4.603 -8.069 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.558 -1.857 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.355 -2.944 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.636 -3.579 -8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.839 -1.981 -10.728 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.557 -0.724 -6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.883 0.057 -11.713 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.597 1.316 -7.845 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.759 1.710 -10.273 1.00 0.00 H new ATOM 123 N GLU A 10 -9.358 -1.025 -9.412 1.00 0.00 N ATOM 124 CA GLU A 10 -10.051 -0.563 -10.612 1.00 0.00 C ATOM 125 C GLU A 10 -11.287 -1.409 -10.898 1.00 0.00 C ATOM 126 O GLU A 10 -11.613 -1.686 -12.052 1.00 0.00 O ATOM 127 CB GLU A 10 -9.113 -0.577 -11.818 1.00 0.00 C ATOM 128 CG GLU A 10 -8.525 0.787 -12.129 1.00 0.00 C ATOM 129 CD GLU A 10 -7.619 0.771 -13.344 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.943 0.057 -14.317 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.586 1.473 -13.324 1.00 0.00 O ATOM 0 H GLU A 10 -9.117 -0.283 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.374 0.462 -10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.303 -1.282 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.657 -0.939 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.335 1.498 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.962 1.141 -11.266 1.00 0.00 H new ATOM 138 N LYS A 11 -11.978 -1.806 -9.836 1.00 0.00 N ATOM 139 CA LYS A 11 -13.188 -2.611 -9.964 1.00 0.00 C ATOM 140 C LYS A 11 -12.876 -4.011 -10.488 1.00 0.00 C ATOM 141 O LYS A 11 -13.768 -4.712 -10.968 1.00 0.00 O ATOM 142 CB LYS A 11 -14.196 -1.921 -10.892 1.00 0.00 C ATOM 143 CG LYS A 11 -14.096 -0.402 -10.891 1.00 0.00 C ATOM 144 CD LYS A 11 -15.388 0.241 -11.368 1.00 0.00 C ATOM 145 CE LYS A 11 -16.238 0.716 -10.201 1.00 0.00 C ATOM 146 NZ LYS A 11 -17.095 1.875 -10.573 1.00 0.00 N ATOM 0 H LYS A 11 -11.721 -1.583 -8.874 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.623 -2.709 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.047 -2.284 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.204 -2.209 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.864 -0.052 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.274 -0.090 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.157 1.085 -12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.954 -0.475 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.867 -0.103 -9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.590 0.996 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.659 2.168 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.494 2.666 -10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.732 1.601 -11.349 1.00 0.00 H new ATOM 160 N VAL A 12 -11.616 -4.425 -10.385 1.00 0.00 N ATOM 161 CA VAL A 12 -11.213 -5.749 -10.840 1.00 0.00 C ATOM 162 C VAL A 12 -10.662 -6.557 -9.675 1.00 0.00 C ATOM 163 O VAL A 12 -9.679 -6.162 -9.051 1.00 0.00 O ATOM 164 CB VAL A 12 -10.150 -5.676 -11.952 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.977 -7.036 -12.612 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.523 -4.620 -12.982 1.00 0.00 C ATOM 0 H VAL A 12 -10.860 -3.864 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.100 -6.235 -11.247 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.199 -5.390 -11.502 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.222 -6.967 -13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.660 -7.765 -11.866 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.925 -7.352 -13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.759 -4.584 -13.759 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.485 -4.872 -13.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.593 -3.647 -12.496 1.00 0.00 H new ATOM 176 N SER A 13 -11.309 -7.675 -9.370 1.00 0.00 N ATOM 177 CA SER A 13 -10.879 -8.511 -8.259 1.00 0.00 C ATOM 178 C SER A 13 -9.771 -9.472 -8.665 1.00 0.00 C ATOM 179 O SER A 13 -9.634 -9.839 -9.832 1.00 0.00 O ATOM 180 CB SER A 13 -12.056 -9.290 -7.676 1.00 0.00 C ATOM 181 OG SER A 13 -12.682 -10.088 -8.665 1.00 0.00 O ATOM 0 H SER A 13 -12.127 -8.021 -9.872 1.00 0.00 H new ATOM 0 HA SER A 13 -10.481 -7.843 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.708 -9.924 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.781 -8.595 -7.253 1.00 0.00 H new ATOM 0 HG SER A 13 -13.431 -10.577 -8.265 1.00 0.00 H new ATOM 187 N GLY A 14 -8.977 -9.853 -7.675 1.00 0.00 N ATOM 188 CA GLY A 14 -7.862 -10.750 -7.891 1.00 0.00 C ATOM 189 C GLY A 14 -7.254 -11.194 -6.579 1.00 0.00 C ATOM 190 O GLY A 14 -7.738 -10.816 -5.512 1.00 0.00 O ATOM 0 H GLY A 14 -9.090 -9.549 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.197 -11.622 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.104 -10.253 -8.496 1.00 0.00 H new ATOM 194 N ILE A 15 -6.194 -11.987 -6.643 1.00 0.00 N ATOM 195 CA ILE A 15 -5.540 -12.457 -5.430 1.00 0.00 C ATOM 196 C ILE A 15 -4.209 -11.748 -5.258 1.00 0.00 C ATOM 197 O ILE A 15 -3.453 -11.571 -6.212 1.00 0.00 O ATOM 198 CB ILE A 15 -5.301 -13.983 -5.442 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.470 -14.705 -6.117 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.105 -14.500 -4.019 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.260 -14.943 -7.596 1.00 0.00 C ATOM 0 H ILE A 15 -5.772 -12.316 -7.512 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.206 -12.230 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.396 -14.187 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.629 -15.663 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.378 -14.119 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.938 -15.577 -4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.242 -14.009 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.995 -14.284 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.127 -15.458 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.131 -13.987 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.370 -15.555 -7.743 1.00 0.00 H new ATOM 213 N ILE A 16 -3.950 -11.318 -4.034 1.00 0.00 N ATOM 214 CA ILE A 16 -2.736 -10.592 -3.712 1.00 0.00 C ATOM 215 C ILE A 16 -1.762 -11.491 -2.950 1.00 0.00 C ATOM 216 O ILE A 16 -2.151 -12.166 -1.999 1.00 0.00 O ATOM 217 CB ILE A 16 -3.081 -9.351 -2.866 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.832 -8.541 -2.535 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.816 -9.753 -1.597 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.136 -7.084 -2.268 1.00 0.00 C ATOM 0 H ILE A 16 -4.574 -11.462 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.260 -10.274 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.740 -8.716 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.345 -8.973 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.126 -8.615 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.050 -8.862 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.740 -10.268 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.185 -10.417 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.211 -6.556 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.597 -6.641 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.820 -7.004 -1.423 1.00 0.00 H new ATOM 232 N ALA A 17 -0.503 -11.529 -3.386 1.00 0.00 N ATOM 233 CA ALA A 17 0.489 -12.387 -2.739 1.00 0.00 C ATOM 234 C ALA A 17 1.875 -11.750 -2.681 1.00 0.00 C ATOM 235 O ALA A 17 2.362 -11.204 -3.670 1.00 0.00 O ATOM 236 CB ALA A 17 0.570 -13.715 -3.472 1.00 0.00 C ATOM 0 H ALA A 17 -0.149 -10.984 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 17 0.161 -12.537 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.310 -14.353 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.404 -14.205 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.862 -13.542 -4.508 1.00 0.00 H new ATOM 242 N ILE A 18 2.513 -11.858 -1.516 1.00 0.00 N ATOM 243 CA ILE A 18 3.857 -11.325 -1.313 1.00 0.00 C ATOM 244 C ILE A 18 4.903 -12.418 -1.519 1.00 0.00 C ATOM 245 O ILE A 18 4.681 -13.580 -1.180 1.00 0.00 O ATOM 246 CB ILE A 18 4.023 -10.723 0.099 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.113 -9.507 0.267 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.475 -10.339 0.357 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.082 -9.680 1.355 1.00 0.00 C ATOM 0 H ILE A 18 2.116 -12.313 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 18 4.004 -10.533 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 18 3.736 -11.479 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.724 -8.633 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.605 -9.308 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.567 -9.917 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.105 -11.225 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.792 -9.600 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.469 -8.781 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.448 -10.535 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.583 -9.849 2.308 1.00 0.00 H new ATOM 261 N ASN A 19 6.040 -12.030 -2.076 1.00 0.00 N ATOM 262 CA ASN A 19 7.132 -12.961 -2.337 1.00 0.00 C ATOM 263 C ASN A 19 8.383 -12.550 -1.581 1.00 0.00 C ATOM 264 O ASN A 19 9.009 -11.538 -1.898 1.00 0.00 O ATOM 265 CB ASN A 19 7.426 -13.024 -3.838 1.00 0.00 C ATOM 266 CG ASN A 19 7.543 -14.449 -4.344 1.00 0.00 C ATOM 267 OD1 ASN A 19 7.051 -14.779 -5.423 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.197 -15.302 -3.564 1.00 0.00 N ATOM 0 H ASN A 19 6.233 -11.069 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 19 6.828 -13.949 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.633 -12.512 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.353 -12.490 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.308 -16.274 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.589 -14.985 -2.677 1.00 0.00 H new ATOM 275 N GLU A 20 8.749 -13.357 -0.590 1.00 0.00 N ATOM 276 CA GLU A 20 9.937 -13.098 0.207 1.00 0.00 C ATOM 277 C GLU A 20 11.031 -14.086 -0.159 1.00 0.00 C ATOM 278 O GLU A 20 11.895 -14.417 0.654 1.00 0.00 O ATOM 279 CB GLU A 20 9.618 -13.186 1.700 1.00 0.00 C ATOM 280 CG GLU A 20 10.445 -12.241 2.556 1.00 0.00 C ATOM 281 CD GLU A 20 10.182 -12.417 4.039 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.687 -13.402 4.619 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.473 -11.569 4.621 1.00 0.00 O ATOM 0 H GLU A 20 8.237 -14.197 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 20 10.285 -12.087 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.561 -12.968 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.784 -14.209 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.503 -12.408 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.225 -11.212 2.271 1.00 0.00 H new ATOM 290 N ASP A 21 10.982 -14.543 -1.401 1.00 0.00 N ATOM 291 CA ASP A 21 11.962 -15.490 -1.916 1.00 0.00 C ATOM 292 C ASP A 21 13.023 -14.765 -2.735 1.00 0.00 C ATOM 293 O ASP A 21 14.145 -15.248 -2.883 1.00 0.00 O ATOM 294 CB ASP A 21 11.275 -16.555 -2.773 1.00 0.00 C ATOM 295 CG ASP A 21 10.560 -17.598 -1.937 1.00 0.00 C ATOM 296 OD1 ASP A 21 9.525 -17.261 -1.325 1.00 0.00 O ATOM 297 OD2 ASP A 21 11.035 -18.752 -1.895 1.00 0.00 O ATOM 0 H ASP A 21 10.268 -14.271 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 21 12.446 -15.978 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.559 -16.074 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.018 -17.045 -3.403 1.00 0.00 H new ATOM 302 N VAL A 22 12.661 -13.597 -3.258 1.00 0.00 N ATOM 303 CA VAL A 22 13.589 -12.799 -4.055 1.00 0.00 C ATOM 304 C VAL A 22 14.164 -11.658 -3.222 1.00 0.00 C ATOM 305 O VAL A 22 13.647 -11.343 -2.151 1.00 0.00 O ATOM 306 CB VAL A 22 12.923 -12.215 -5.325 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.437 -12.920 -6.571 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.404 -12.304 -5.249 1.00 0.00 C ATOM 0 H VAL A 22 11.736 -13.183 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 22 14.388 -13.470 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 22 13.192 -11.160 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.957 -12.496 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.516 -12.787 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.206 -13.983 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.969 -11.885 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.105 -13.348 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.049 -11.743 -4.384 1.00 0.00 H new ATOM 318 N SER A 23 15.236 -11.038 -3.715 1.00 0.00 N ATOM 319 CA SER A 23 15.867 -9.931 -2.999 1.00 0.00 C ATOM 320 C SER A 23 14.820 -8.907 -2.564 1.00 0.00 C ATOM 321 O SER A 23 14.550 -8.762 -1.372 1.00 0.00 O ATOM 322 CB SER A 23 16.938 -9.266 -3.863 1.00 0.00 C ATOM 323 OG SER A 23 18.230 -9.749 -3.539 1.00 0.00 O ATOM 0 H SER A 23 15.682 -11.281 -4.600 1.00 0.00 H new ATOM 0 HA SER A 23 16.349 -10.334 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.729 -9.456 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.904 -8.186 -3.721 1.00 0.00 H new ATOM 0 HG SER A 23 18.896 -9.309 -4.107 1.00 0.00 H new ATOM 329 N PRO A 24 14.192 -8.197 -3.521 1.00 0.00 N ATOM 330 CA PRO A 24 13.160 -7.219 -3.206 1.00 0.00 C ATOM 331 C PRO A 24 11.826 -7.892 -2.954 1.00 0.00 C ATOM 332 O PRO A 24 11.020 -8.050 -3.870 1.00 0.00 O ATOM 333 CB PRO A 24 13.077 -6.372 -4.466 1.00 0.00 C ATOM 334 CG PRO A 24 13.442 -7.310 -5.567 1.00 0.00 C ATOM 335 CD PRO A 24 14.413 -8.305 -4.978 1.00 0.00 C ATOM 0 HA PRO A 24 13.392 -6.648 -2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.076 -5.965 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.762 -5.525 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.558 -7.815 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.895 -6.773 -6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.218 -9.315 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.442 -8.065 -5.245 1.00 0.00 H new ATOM 343 N ALA A 25 11.596 -8.290 -1.711 1.00 0.00 N ATOM 344 CA ALA A 25 10.347 -8.949 -1.348 1.00 0.00 C ATOM 345 C ALA A 25 9.183 -8.184 -1.941 1.00 0.00 C ATOM 346 O ALA A 25 8.781 -7.151 -1.422 1.00 0.00 O ATOM 347 CB ALA A 25 10.204 -9.062 0.157 1.00 0.00 C ATOM 0 H ALA A 25 12.253 -8.170 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 25 10.355 -9.961 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.263 -9.557 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.033 -9.644 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.212 -8.066 0.599 1.00 0.00 H new ATOM 353 N GLU A 26 8.683 -8.682 -3.056 1.00 0.00 N ATOM 354 CA GLU A 26 7.598 -8.024 -3.771 1.00 0.00 C ATOM 355 C GLU A 26 6.326 -8.861 -3.776 1.00 0.00 C ATOM 356 O GLU A 26 6.340 -10.017 -3.370 1.00 0.00 O ATOM 357 CB GLU A 26 8.044 -7.699 -5.193 1.00 0.00 C ATOM 358 CG GLU A 26 8.862 -8.800 -5.850 1.00 0.00 C ATOM 359 CD GLU A 26 8.552 -8.955 -7.326 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.356 -9.026 -7.677 1.00 0.00 O ATOM 361 OE2 GLU A 26 9.506 -9.006 -8.130 1.00 0.00 O ATOM 0 H GLU A 26 9.011 -9.545 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 26 7.361 -7.097 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.163 -7.501 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.633 -6.782 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.923 -8.582 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.669 -9.744 -5.341 1.00 0.00 H new ATOM 368 N LEU A 27 5.222 -8.267 -4.226 1.00 0.00 N ATOM 369 CA LEU A 27 3.951 -8.956 -4.259 1.00 0.00 C ATOM 370 C LEU A 27 3.226 -8.664 -5.556 1.00 0.00 C ATOM 371 O LEU A 27 3.290 -7.548 -6.072 1.00 0.00 O ATOM 372 CB LEU A 27 3.083 -8.530 -3.067 1.00 0.00 C ATOM 373 CG LEU A 27 2.513 -7.109 -3.144 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.257 -7.081 -4.003 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.214 -6.580 -1.748 1.00 0.00 C ATOM 0 H LEU A 27 5.191 -7.308 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 27 4.138 -10.028 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.254 -9.231 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.677 -8.616 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 27 3.260 -6.464 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.868 -6.064 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.498 -7.419 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.505 -7.740 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.810 -5.570 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.485 -7.228 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.132 -6.562 -1.161 1.00 0.00 H new ATOM 387 N THR A 28 2.525 -9.657 -6.080 1.00 0.00 N ATOM 388 CA THR A 28 1.786 -9.467 -7.311 1.00 0.00 C ATOM 389 C THR A 28 0.321 -9.796 -7.115 1.00 0.00 C ATOM 390 O THR A 28 -0.047 -10.633 -6.291 1.00 0.00 O ATOM 391 CB THR A 28 2.385 -10.284 -8.452 1.00 0.00 C ATOM 392 OG1 THR A 28 3.692 -9.836 -8.754 1.00 0.00 O ATOM 393 CG2 THR A 28 1.571 -10.228 -9.728 1.00 0.00 C ATOM 0 H THR A 28 2.454 -10.591 -5.676 1.00 0.00 H new ATOM 0 HA THR A 28 1.863 -8.415 -7.587 1.00 0.00 H new ATOM 0 HB THR A 28 2.392 -11.314 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.894 -10.027 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.056 -10.831 -10.496 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.571 -10.617 -9.539 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.500 -9.195 -10.069 1.00 0.00 H new ATOM 401 N TRP A 29 -0.507 -9.092 -7.861 1.00 0.00 N ATOM 402 CA TRP A 29 -1.946 -9.246 -7.772 1.00 0.00 C ATOM 403 C TRP A 29 -2.541 -9.772 -9.075 1.00 0.00 C ATOM 404 O TRP A 29 -2.593 -9.060 -10.072 1.00 0.00 O ATOM 405 CB TRP A 29 -2.548 -7.891 -7.426 1.00 0.00 C ATOM 406 CG TRP A 29 -4.029 -7.904 -7.293 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.743 -8.145 -6.158 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.981 -7.651 -8.327 1.00 0.00 C ATOM 409 NE1 TRP A 29 -6.083 -8.054 -6.419 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.258 -7.753 -7.744 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.880 -7.347 -9.690 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.424 -7.561 -8.472 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -6.046 -7.158 -10.411 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.301 -7.265 -9.801 1.00 0.00 C ATOM 0 H TRP A 29 -0.203 -8.399 -8.544 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.179 -9.978 -6.999 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.112 -7.539 -6.491 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.269 -7.173 -8.197 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.314 -8.374 -5.194 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.830 -8.188 -5.738 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.915 -7.262 -10.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.394 -7.643 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.986 -6.924 -11.464 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.191 -7.110 -10.393 1.00 0.00 H new ATOM 425 N ARG A 30 -2.997 -11.019 -9.055 1.00 0.00 N ATOM 426 CA ARG A 30 -3.594 -11.630 -10.238 1.00 0.00 C ATOM 427 C ARG A 30 -5.117 -11.629 -10.142 1.00 0.00 C ATOM 428 O ARG A 30 -5.686 -12.158 -9.187 1.00 0.00 O ATOM 429 CB ARG A 30 -3.085 -13.063 -10.408 1.00 0.00 C ATOM 430 CG ARG A 30 -3.428 -13.674 -11.757 1.00 0.00 C ATOM 431 CD ARG A 30 -3.858 -15.126 -11.619 1.00 0.00 C ATOM 432 NE ARG A 30 -5.289 -15.250 -11.353 1.00 0.00 N ATOM 433 CZ ARG A 30 -5.950 -16.405 -11.378 1.00 0.00 C ATOM 434 NH1 ARG A 30 -5.313 -17.537 -11.655 1.00 0.00 N ATOM 435 NH2 ARG A 30 -7.251 -16.430 -11.124 1.00 0.00 N ATOM 0 H ARG A 30 -2.965 -11.626 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.302 -11.041 -11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.003 -13.073 -10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.506 -13.686 -9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.228 -13.100 -12.225 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.562 -13.611 -12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.611 -15.666 -12.533 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.297 -15.595 -10.811 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.812 -14.402 -11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.312 -17.524 -11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.825 -18.419 -11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.745 -15.564 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.757 -17.315 -11.143 1.00 0.00 H new ATOM 449 N SER A 31 -5.776 -11.031 -11.135 1.00 0.00 N ATOM 450 CA SER A 31 -7.235 -10.963 -11.157 1.00 0.00 C ATOM 451 C SER A 31 -7.858 -12.319 -10.828 1.00 0.00 C ATOM 452 O SER A 31 -7.199 -13.354 -10.922 1.00 0.00 O ATOM 453 CB SER A 31 -7.720 -10.480 -12.527 1.00 0.00 C ATOM 454 OG SER A 31 -8.050 -11.569 -13.373 1.00 0.00 O ATOM 0 H SER A 31 -5.322 -10.587 -11.933 1.00 0.00 H new ATOM 0 HA SER A 31 -7.550 -10.252 -10.393 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.592 -9.839 -12.400 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.945 -9.875 -12.996 1.00 0.00 H new ATOM 0 HG SER A 31 -7.621 -11.447 -14.245 1.00 0.00 H new ATOM 460 N THR A 32 -9.130 -12.304 -10.440 1.00 0.00 N ATOM 461 CA THR A 32 -9.836 -13.532 -10.095 1.00 0.00 C ATOM 462 C THR A 32 -10.090 -14.377 -11.335 1.00 0.00 C ATOM 463 O THR A 32 -10.020 -15.605 -11.293 1.00 0.00 O ATOM 464 CB THR A 32 -11.161 -13.209 -9.402 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.715 -12.010 -9.915 1.00 0.00 O ATOM 466 CG2 THR A 32 -11.028 -13.049 -7.903 1.00 0.00 C ATOM 0 H THR A 32 -9.691 -11.456 -10.357 1.00 0.00 H new ATOM 0 HA THR A 32 -9.208 -14.102 -9.410 1.00 0.00 H new ATOM 0 HB THR A 32 -11.809 -14.062 -9.604 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.927 -11.404 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.004 -12.821 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.648 -13.975 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.336 -12.236 -7.684 1.00 0.00 H new ATOM 505 N LYS A 36 -6.105 -10.111 -15.748 1.00 0.00 N ATOM 506 CA LYS A 36 -5.090 -9.113 -15.436 1.00 0.00 C ATOM 507 C LYS A 36 -4.266 -9.513 -14.218 1.00 0.00 C ATOM 508 O LYS A 36 -4.744 -10.222 -13.335 1.00 0.00 O ATOM 509 CB LYS A 36 -5.736 -7.752 -15.200 1.00 0.00 C ATOM 510 CG LYS A 36 -6.560 -7.669 -13.929 1.00 0.00 C ATOM 511 CD LYS A 36 -6.984 -6.240 -13.649 1.00 0.00 C ATOM 512 CE LYS A 36 -5.787 -5.349 -13.359 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.337 -4.611 -14.571 1.00 0.00 N ATOM 0 HA LYS A 36 -4.419 -9.050 -16.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.955 -6.993 -15.164 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.374 -7.513 -16.050 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.442 -8.303 -14.021 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.980 -8.051 -13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.532 -5.848 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.666 -6.222 -12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.046 -4.637 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.966 -5.957 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.302 -4.676 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.778 -5.029 -15.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.616 -3.612 -14.493 1.00 0.00 H new ATOM 527 N VAL A 37 -3.026 -9.042 -14.180 1.00 0.00 N ATOM 528 CA VAL A 37 -2.124 -9.331 -13.074 1.00 0.00 C ATOM 529 C VAL A 37 -1.211 -8.141 -12.803 1.00 0.00 C ATOM 530 O VAL A 37 -0.436 -7.737 -13.670 1.00 0.00 O ATOM 531 CB VAL A 37 -1.260 -10.574 -13.358 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.537 -11.022 -12.098 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.112 -11.701 -13.922 1.00 0.00 C ATOM 0 H VAL A 37 -2.620 -8.454 -14.908 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.742 -9.528 -12.198 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.511 -10.309 -14.104 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.068 -11.901 -12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.107 -10.218 -11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.268 -11.269 -11.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.483 -12.570 -14.116 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.887 -11.967 -13.203 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.577 -11.375 -14.852 1.00 0.00 H new ATOM 543 N HIS A 38 -1.300 -7.579 -11.602 1.00 0.00 N ATOM 544 CA HIS A 38 -0.472 -6.436 -11.245 1.00 0.00 C ATOM 545 C HIS A 38 0.582 -6.816 -10.210 1.00 0.00 C ATOM 546 O HIS A 38 0.275 -7.049 -9.044 1.00 0.00 O ATOM 547 CB HIS A 38 -1.343 -5.300 -10.706 1.00 0.00 C ATOM 548 CG HIS A 38 -0.642 -3.978 -10.664 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.651 -3.155 -9.558 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.095 -3.335 -11.602 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.048 -2.064 -9.816 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.512 -2.149 -11.049 1.00 0.00 N ATOM 0 H HIS A 38 -1.932 -7.894 -10.866 1.00 0.00 H new ATOM 0 HA HIS A 38 0.041 -6.101 -12.147 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.234 -5.210 -11.327 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.679 -5.556 -9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.314 -3.689 -12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.212 -1.243 -9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.087 -1.447 -11.515 1.00 0.00 H new ATOM 561 N THR A 39 1.829 -6.843 -10.654 1.00 0.00 N ATOM 562 CA THR A 39 2.966 -7.164 -9.790 1.00 0.00 C ATOM 563 C THR A 39 3.516 -5.886 -9.168 1.00 0.00 C ATOM 564 O THR A 39 4.160 -5.085 -9.846 1.00 0.00 O ATOM 565 CB THR A 39 4.065 -7.845 -10.615 1.00 0.00 C ATOM 566 OG1 THR A 39 3.630 -9.105 -11.092 1.00 0.00 O ATOM 567 CG2 THR A 39 5.353 -8.062 -9.847 1.00 0.00 C ATOM 0 H THR A 39 2.086 -6.644 -11.621 1.00 0.00 H new ATOM 0 HA THR A 39 2.636 -7.838 -8.999 1.00 0.00 H new ATOM 0 HB THR A 39 4.267 -7.160 -11.438 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.346 -9.521 -11.616 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.084 -8.548 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.745 -7.101 -9.514 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.158 -8.694 -8.981 1.00 0.00 H new ATOM 575 N VAL A 40 3.271 -5.700 -7.879 1.00 0.00 N ATOM 576 CA VAL A 40 3.759 -4.520 -7.182 1.00 0.00 C ATOM 577 C VAL A 40 4.993 -4.865 -6.368 1.00 0.00 C ATOM 578 O VAL A 40 4.907 -5.583 -5.372 1.00 0.00 O ATOM 579 CB VAL A 40 2.692 -3.921 -6.246 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.182 -2.606 -5.657 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.376 -3.728 -6.987 1.00 0.00 C ATOM 0 H VAL A 40 2.740 -6.348 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 40 4.005 -3.778 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 40 2.518 -4.618 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.417 -2.195 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.096 -2.780 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.385 -1.900 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.635 -3.304 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.528 -3.051 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.021 -4.691 -7.356 1.00 0.00 H new ATOM 591 N VAL A 41 6.146 -4.368 -6.798 1.00 0.00 N ATOM 592 CA VAL A 41 7.382 -4.656 -6.093 1.00 0.00 C ATOM 593 C VAL A 41 7.544 -3.775 -4.868 1.00 0.00 C ATOM 594 O VAL A 41 7.826 -2.581 -4.970 1.00 0.00 O ATOM 595 CB VAL A 41 8.627 -4.523 -6.995 1.00 0.00 C ATOM 596 CG1 VAL A 41 8.782 -3.097 -7.494 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.884 -4.984 -6.253 1.00 0.00 C ATOM 0 H VAL A 41 6.248 -3.772 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 41 7.307 -5.696 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 41 8.491 -5.169 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.666 -3.027 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.900 -2.815 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.891 -2.424 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.750 -4.882 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.027 -4.371 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.771 -6.028 -5.960 1.00 0.00 H new ATOM 607 N LEU A 42 7.380 -4.392 -3.703 1.00 0.00 N ATOM 608 CA LEU A 42 7.519 -3.704 -2.426 1.00 0.00 C ATOM 609 C LEU A 42 8.798 -2.873 -2.394 1.00 0.00 C ATOM 610 O LEU A 42 8.912 -1.916 -1.629 1.00 0.00 O ATOM 611 CB LEU A 42 7.561 -4.727 -1.296 1.00 0.00 C ATOM 612 CG LEU A 42 6.199 -5.233 -0.805 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.639 -6.290 -1.745 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.319 -5.792 0.605 1.00 0.00 C ATOM 0 H LEU A 42 7.147 -5.381 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 42 6.664 -3.040 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.148 -5.583 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.090 -4.286 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 42 5.509 -4.389 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.673 -6.632 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.515 -5.863 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.327 -7.134 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.344 -6.147 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.028 -6.620 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.671 -5.010 1.278 1.00 0.00 H new ATOM 626 N SER A 43 9.760 -3.253 -3.232 1.00 0.00 N ATOM 627 CA SER A 43 11.036 -2.550 -3.302 1.00 0.00 C ATOM 628 C SER A 43 10.809 -1.079 -3.589 1.00 0.00 C ATOM 629 O SER A 43 11.220 -0.208 -2.822 1.00 0.00 O ATOM 630 CB SER A 43 11.935 -3.174 -4.375 1.00 0.00 C ATOM 631 OG SER A 43 11.867 -2.455 -5.595 1.00 0.00 O ATOM 0 H SER A 43 9.679 -4.044 -3.871 1.00 0.00 H new ATOM 0 HA SER A 43 11.537 -2.643 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.966 -3.194 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.636 -4.208 -4.544 1.00 0.00 H new ATOM 0 HG SER A 43 12.453 -2.878 -6.257 1.00 0.00 H new ATOM 637 N THR A 44 10.128 -0.819 -4.687 1.00 0.00 N ATOM 638 CA THR A 44 9.807 0.532 -5.080 1.00 0.00 C ATOM 639 C THR A 44 8.761 1.108 -4.136 1.00 0.00 C ATOM 640 O THR A 44 8.599 2.325 -4.041 1.00 0.00 O ATOM 641 CB THR A 44 9.287 0.549 -6.513 1.00 0.00 C ATOM 642 OG1 THR A 44 8.416 -0.543 -6.743 1.00 0.00 O ATOM 643 CG2 THR A 44 10.385 0.490 -7.552 1.00 0.00 C ATOM 0 H THR A 44 9.785 -1.536 -5.326 1.00 0.00 H new ATOM 0 HA THR A 44 10.708 1.143 -5.027 1.00 0.00 H new ATOM 0 HB THR A 44 8.764 1.500 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.092 -0.514 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.944 0.506 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.045 1.350 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.959 -0.428 -7.423 1.00 0.00 H new ATOM 651 N ILE A 45 8.053 0.224 -3.429 1.00 0.00 N ATOM 652 CA ILE A 45 7.029 0.662 -2.487 1.00 0.00 C ATOM 653 C ILE A 45 7.618 0.840 -1.092 1.00 0.00 C ATOM 654 O ILE A 45 7.764 -0.124 -0.340 1.00 0.00 O ATOM 655 CB ILE A 45 5.851 -0.328 -2.417 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.419 -0.745 -3.825 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.685 0.293 -1.663 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.860 0.395 -4.648 1.00 0.00 C ATOM 0 H ILE A 45 8.170 -0.787 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 45 6.654 1.619 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 45 6.176 -1.219 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.275 -1.174 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.667 -1.530 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.859 -0.417 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.999 0.544 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.360 1.197 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.575 0.027 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.985 0.810 -4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.618 1.171 -4.756 1.00 0.00 H new ATOM 670 N ASP A 46 7.963 2.079 -0.757 1.00 0.00 N ATOM 671 CA ASP A 46 8.548 2.388 0.544 1.00 0.00 C ATOM 672 C ASP A 46 7.477 2.698 1.590 1.00 0.00 C ATOM 673 O ASP A 46 7.797 2.990 2.742 1.00 0.00 O ATOM 674 CB ASP A 46 9.504 3.574 0.421 1.00 0.00 C ATOM 675 CG ASP A 46 10.767 3.223 -0.340 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.734 2.257 -1.132 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.790 3.913 -0.145 1.00 0.00 O ATOM 0 H ASP A 46 7.848 2.887 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 46 9.095 1.505 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.996 4.396 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.770 3.927 1.417 1.00 0.00 H new ATOM 682 N LYS A 47 6.210 2.636 1.191 1.00 0.00 N ATOM 683 CA LYS A 47 5.114 2.915 2.112 1.00 0.00 C ATOM 684 C LYS A 47 3.953 1.949 1.903 1.00 0.00 C ATOM 685 O LYS A 47 3.642 1.562 0.777 1.00 0.00 O ATOM 686 CB LYS A 47 4.627 4.354 1.948 1.00 0.00 C ATOM 687 CG LYS A 47 5.013 5.260 3.105 1.00 0.00 C ATOM 688 CD LYS A 47 6.301 6.014 2.818 1.00 0.00 C ATOM 689 CE LYS A 47 6.153 6.930 1.614 1.00 0.00 C ATOM 690 NZ LYS A 47 6.897 8.208 1.793 1.00 0.00 N ATOM 0 H LYS A 47 5.919 2.397 0.243 1.00 0.00 H new ATOM 0 HA LYS A 47 5.494 2.780 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.035 4.764 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.542 4.352 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.209 5.971 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.133 4.665 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.582 6.602 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.108 5.303 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.518 6.420 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.097 7.145 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.771 8.804 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.532 8.708 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.908 8.005 1.925 1.00 0.00 H new ATOM 704 N LEU A 48 3.313 1.577 3.004 1.00 0.00 N ATOM 705 CA LEU A 48 2.174 0.668 2.970 1.00 0.00 C ATOM 706 C LEU A 48 1.287 0.893 4.190 1.00 0.00 C ATOM 707 O LEU A 48 1.786 1.111 5.291 1.00 0.00 O ATOM 708 CB LEU A 48 2.648 -0.791 2.900 1.00 0.00 C ATOM 709 CG LEU A 48 3.245 -1.374 4.189 1.00 0.00 C ATOM 710 CD1 LEU A 48 4.231 -0.406 4.828 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.142 -1.754 5.169 1.00 0.00 C ATOM 0 H LEU A 48 3.566 1.894 3.940 1.00 0.00 H new ATOM 0 HA LEU A 48 1.588 0.874 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.803 -1.412 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.395 -0.871 2.110 1.00 0.00 H new ATOM 0 HG LEU A 48 3.794 -2.278 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.636 -0.848 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.044 -0.201 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.720 0.525 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.586 -2.165 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.558 -0.869 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.492 -2.500 4.713 1.00 0.00 H new ATOM 723 N GLN A 49 -0.028 0.859 3.996 1.00 0.00 N ATOM 724 CA GLN A 49 -0.951 1.084 5.104 1.00 0.00 C ATOM 725 C GLN A 49 -2.214 0.236 4.988 1.00 0.00 C ATOM 726 O GLN A 49 -2.611 -0.174 3.897 1.00 0.00 O ATOM 727 CB GLN A 49 -1.336 2.564 5.179 1.00 0.00 C ATOM 728 CG GLN A 49 -0.181 3.514 4.903 1.00 0.00 C ATOM 729 CD GLN A 49 -0.007 3.807 3.426 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.964 4.151 2.733 1.00 0.00 O ATOM 731 NE2 GLN A 49 1.220 3.673 2.936 1.00 0.00 N ATOM 0 H GLN A 49 -0.474 0.681 3.096 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.433 0.786 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.134 2.759 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.739 2.775 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.349 4.449 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.740 3.083 5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.985 3.385 3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.398 3.858 1.949 1.00 0.00 H new ATOM 740 N ALA A 50 -2.847 0.000 6.134 1.00 0.00 N ATOM 741 CA ALA A 50 -4.082 -0.773 6.205 1.00 0.00 C ATOM 742 C ALA A 50 -5.084 -0.053 7.096 1.00 0.00 C ATOM 743 O ALA A 50 -4.696 0.745 7.943 1.00 0.00 O ATOM 744 CB ALA A 50 -3.812 -2.169 6.740 1.00 0.00 C ATOM 0 H ALA A 50 -2.518 0.339 7.038 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.495 -0.868 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.746 -2.728 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.113 -2.683 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.383 -2.099 7.739 1.00 0.00 H new ATOM 750 N THR A 51 -6.369 -0.319 6.906 1.00 0.00 N ATOM 751 CA THR A 51 -7.383 0.343 7.713 1.00 0.00 C ATOM 752 C THR A 51 -7.467 -0.265 9.117 1.00 0.00 C ATOM 753 O THR A 51 -7.547 -1.483 9.279 1.00 0.00 O ATOM 754 CB THR A 51 -8.735 0.318 7.006 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.837 -0.802 6.145 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.973 1.564 6.176 1.00 0.00 C ATOM 0 H THR A 51 -6.729 -0.976 6.214 1.00 0.00 H new ATOM 0 HA THR A 51 -7.090 1.386 7.835 1.00 0.00 H new ATOM 0 HB THR A 51 -9.485 0.264 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.686 -0.763 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.948 1.499 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.946 2.442 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.196 1.649 5.416 1.00 0.00 H new ATOM 764 N PRO A 52 -7.419 0.598 10.152 1.00 0.00 N ATOM 765 CA PRO A 52 -7.454 0.207 11.559 1.00 0.00 C ATOM 766 C PRO A 52 -8.851 0.268 12.159 1.00 0.00 C ATOM 767 O PRO A 52 -9.770 0.824 11.557 1.00 0.00 O ATOM 768 CB PRO A 52 -6.574 1.274 12.190 1.00 0.00 C ATOM 769 CG PRO A 52 -6.929 2.510 11.435 1.00 0.00 C ATOM 770 CD PRO A 52 -7.296 2.065 10.036 1.00 0.00 C ATOM 0 HA PRO A 52 -7.132 -0.823 11.716 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.776 1.383 13.256 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.516 1.032 12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.762 3.029 11.909 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.091 3.206 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.229 2.519 9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.530 2.346 9.313 1.00 0.00 H new ATOM 778 N ALA A 53 -8.998 -0.302 13.356 1.00 0.00 N ATOM 779 CA ALA A 53 -10.276 -0.310 14.073 1.00 0.00 C ATOM 780 C ALA A 53 -11.002 1.042 13.989 1.00 0.00 C ATOM 781 O ALA A 53 -12.191 1.130 14.295 1.00 0.00 O ATOM 782 CB ALA A 53 -10.057 -0.697 15.527 1.00 0.00 C ATOM 0 H ALA A 53 -8.240 -0.769 13.854 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.914 -1.050 13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.013 -0.700 16.051 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.613 -1.691 15.576 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.387 0.023 15.998 1.00 0.00 H new ATOM 788 N SER A 54 -10.294 2.087 13.554 1.00 0.00 N ATOM 789 CA SER A 54 -10.888 3.411 13.410 1.00 0.00 C ATOM 790 C SER A 54 -12.039 3.347 12.431 1.00 0.00 C ATOM 791 O SER A 54 -13.013 4.093 12.529 1.00 0.00 O ATOM 792 CB SER A 54 -9.843 4.371 12.866 1.00 0.00 C ATOM 793 OG SER A 54 -8.707 4.430 13.712 1.00 0.00 O ATOM 0 H SER A 54 -9.308 2.038 13.296 1.00 0.00 H new ATOM 0 HA SER A 54 -11.246 3.752 14.381 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.540 4.054 11.868 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.277 5.366 12.767 1.00 0.00 H new ATOM 0 HG SER A 54 -8.051 5.054 13.336 1.00 0.00 H new ATOM 799 N SER A 55 -11.908 2.433 11.494 1.00 0.00 N ATOM 800 CA SER A 55 -12.916 2.223 10.478 1.00 0.00 C ATOM 801 C SER A 55 -13.152 0.735 10.255 1.00 0.00 C ATOM 802 O SER A 55 -12.210 -0.056 10.240 1.00 0.00 O ATOM 803 CB SER A 55 -12.471 2.871 9.177 1.00 0.00 C ATOM 804 OG SER A 55 -12.980 4.189 9.062 1.00 0.00 O ATOM 0 H SER A 55 -11.100 1.815 11.415 1.00 0.00 H new ATOM 0 HA SER A 55 -13.849 2.676 10.813 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.382 2.893 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.812 2.271 8.333 1.00 0.00 H new ATOM 0 HG SER A 55 -12.533 4.770 9.712 1.00 0.00 H new ATOM 810 N GLU A 56 -14.411 0.361 10.065 1.00 0.00 N ATOM 811 CA GLU A 56 -14.757 -1.033 9.823 1.00 0.00 C ATOM 812 C GLU A 56 -14.259 -1.481 8.448 1.00 0.00 C ATOM 813 O GLU A 56 -14.361 -2.656 8.094 1.00 0.00 O ATOM 814 CB GLU A 56 -16.271 -1.229 9.920 1.00 0.00 C ATOM 815 CG GLU A 56 -16.684 -2.677 10.126 1.00 0.00 C ATOM 816 CD GLU A 56 -18.181 -2.836 10.308 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.941 -2.302 9.473 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.594 -3.494 11.286 1.00 0.00 O ATOM 0 H GLU A 56 -15.206 1.000 10.074 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.272 -1.643 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.655 -0.629 10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.737 -0.853 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.361 -3.268 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.171 -3.076 11.001 1.00 0.00 H new ATOM 825 N LYS A 57 -13.724 -0.534 7.674 1.00 0.00 N ATOM 826 CA LYS A 57 -13.216 -0.825 6.340 1.00 0.00 C ATOM 827 C LYS A 57 -12.202 -1.964 6.365 1.00 0.00 C ATOM 828 O LYS A 57 -11.975 -2.594 7.397 1.00 0.00 O ATOM 829 CB LYS A 57 -12.564 0.425 5.727 1.00 0.00 C ATOM 830 CG LYS A 57 -13.370 1.722 5.841 1.00 0.00 C ATOM 831 CD LYS A 57 -14.863 1.502 6.086 1.00 0.00 C ATOM 832 CE LYS A 57 -15.313 2.160 7.381 1.00 0.00 C ATOM 833 NZ LYS A 57 -16.649 2.802 7.242 1.00 0.00 N ATOM 0 H LYS A 57 -13.633 0.443 7.953 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.065 -1.130 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.596 0.578 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.372 0.231 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.962 2.322 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.243 2.299 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.434 1.908 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.074 0.433 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.350 1.413 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.580 2.909 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.920 3.239 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.608 3.532 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.354 2.084 6.980 1.00 0.00 H new ATOM 847 N MET A 58 -11.597 -2.211 5.210 1.00 0.00 N ATOM 848 CA MET A 58 -10.599 -3.262 5.058 1.00 0.00 C ATOM 849 C MET A 58 -9.851 -3.064 3.747 1.00 0.00 C ATOM 850 O MET A 58 -10.086 -3.774 2.769 1.00 0.00 O ATOM 851 CB MET A 58 -11.258 -4.642 5.085 1.00 0.00 C ATOM 852 CG MET A 58 -12.651 -4.667 4.482 1.00 0.00 C ATOM 853 SD MET A 58 -13.950 -4.621 5.730 1.00 0.00 S ATOM 854 CE MET A 58 -15.271 -5.449 4.855 1.00 0.00 C ATOM 0 H MET A 58 -11.784 -1.689 4.354 1.00 0.00 H new ATOM 0 HA MET A 58 -9.897 -3.205 5.890 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.626 -5.347 4.545 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.313 -4.988 6.117 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.767 -3.816 3.811 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.765 -5.567 3.878 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.203 -5.332 5.408 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.381 -5.011 3.863 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.036 -6.509 4.760 1.00 0.00 H new ATOM 864 N MET A 59 -8.971 -2.071 3.728 1.00 0.00 N ATOM 865 CA MET A 59 -8.210 -1.745 2.530 1.00 0.00 C ATOM 866 C MET A 59 -6.711 -1.703 2.804 1.00 0.00 C ATOM 867 O MET A 59 -6.278 -1.595 3.951 1.00 0.00 O ATOM 868 CB MET A 59 -8.667 -0.387 1.999 1.00 0.00 C ATOM 869 CG MET A 59 -8.625 0.706 3.055 1.00 0.00 C ATOM 870 SD MET A 59 -10.205 1.549 3.265 1.00 0.00 S ATOM 871 CE MET A 59 -9.647 3.181 3.763 1.00 0.00 C ATOM 0 H MET A 59 -8.767 -1.476 4.531 1.00 0.00 H new ATOM 0 HA MET A 59 -8.392 -2.526 1.792 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.034 -0.099 1.160 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.683 -0.476 1.616 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.323 0.271 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.864 1.437 2.783 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.318 3.579 4.524 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.638 3.112 4.170 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.645 3.845 2.898 1.00 0.00 H new ATOM 881 N LEU A 60 -5.928 -1.766 1.731 1.00 0.00 N ATOM 882 CA LEU A 60 -4.475 -1.713 1.828 1.00 0.00 C ATOM 883 C LEU A 60 -3.922 -0.735 0.794 1.00 0.00 C ATOM 884 O LEU A 60 -4.182 -0.873 -0.399 1.00 0.00 O ATOM 885 CB LEU A 60 -3.865 -3.105 1.611 1.00 0.00 C ATOM 886 CG LEU A 60 -4.014 -4.084 2.783 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.150 -5.318 2.565 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.647 -3.413 4.097 1.00 0.00 C ATOM 0 H LEU A 60 -6.280 -1.854 0.778 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.207 -1.371 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.325 -3.550 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.804 -2.987 1.392 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.058 -4.394 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.270 -6.000 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.456 -5.819 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.104 -5.021 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.760 -4.126 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.613 -3.071 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.304 -2.560 4.266 1.00 0.00 H new ATOM 900 N ARG A 61 -3.162 0.253 1.254 1.00 0.00 N ATOM 901 CA ARG A 61 -2.585 1.251 0.357 1.00 0.00 C ATOM 902 C ARG A 61 -1.062 1.213 0.418 1.00 0.00 C ATOM 903 O ARG A 61 -0.475 1.204 1.498 1.00 0.00 O ATOM 904 CB ARG A 61 -3.084 2.653 0.722 1.00 0.00 C ATOM 905 CG ARG A 61 -2.377 3.770 -0.035 1.00 0.00 C ATOM 906 CD ARG A 61 -3.357 4.813 -0.546 1.00 0.00 C ATOM 907 NE ARG A 61 -2.735 6.129 -0.679 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.236 7.114 -1.421 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.365 6.937 -2.097 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.607 8.279 -1.488 1.00 0.00 N ATOM 0 H ARG A 61 -2.931 0.385 2.239 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.902 1.016 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.154 2.712 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.950 2.810 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.647 4.247 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.825 3.347 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.750 4.498 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.204 4.880 0.136 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.866 6.303 -0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.853 6.043 -2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.744 7.695 -2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.739 8.421 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.991 9.034 -2.057 1.00 0.00 H new ATOM 924 N LEU A 62 -0.429 1.191 -0.750 1.00 0.00 N ATOM 925 CA LEU A 62 1.028 1.155 -0.830 1.00 0.00 C ATOM 926 C LEU A 62 1.543 2.242 -1.766 1.00 0.00 C ATOM 927 O LEU A 62 1.160 2.302 -2.935 1.00 0.00 O ATOM 928 CB LEU A 62 1.510 -0.222 -1.306 1.00 0.00 C ATOM 929 CG LEU A 62 0.419 -1.149 -1.848 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.993 -2.101 -2.885 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.232 -1.923 -0.711 1.00 0.00 C ATOM 0 H LEU A 62 -0.901 1.197 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 62 1.425 1.338 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.259 -0.077 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.007 -0.721 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.344 -0.539 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.202 -2.752 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.413 -1.528 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.776 -2.707 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.006 -2.578 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.522 -2.523 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.679 -1.224 -0.004 1.00 0.00 H new ATOM 943 N ILE A 63 2.413 3.102 -1.246 1.00 0.00 N ATOM 944 CA ILE A 63 2.976 4.187 -2.039 1.00 0.00 C ATOM 945 C ILE A 63 4.271 3.766 -2.714 1.00 0.00 C ATOM 946 O ILE A 63 5.049 2.985 -2.169 1.00 0.00 O ATOM 947 CB ILE A 63 3.246 5.444 -1.193 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.081 5.719 -0.242 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.490 6.644 -2.096 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.713 5.495 -0.853 1.00 0.00 C ATOM 0 H ILE A 63 2.742 3.068 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 63 2.229 4.426 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 63 4.140 5.269 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.184 5.080 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.147 6.750 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.680 7.527 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.354 6.451 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.612 6.816 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.056 5.712 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.586 6.154 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.624 4.457 -1.175 1.00 0.00 H new ATOM 962 N GLY A 64 4.486 4.293 -3.909 1.00 0.00 N ATOM 963 CA GLY A 64 5.683 3.971 -4.663 1.00 0.00 C ATOM 964 C GLY A 64 6.780 5.004 -4.491 1.00 0.00 C ATOM 965 O GLY A 64 7.158 5.682 -5.446 1.00 0.00 O ATOM 0 H GLY A 64 3.851 4.941 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.055 2.996 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.430 3.888 -5.720 1.00 0.00 H new ATOM 1311 N ARG A 86 0.367 6.465 -5.730 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.164 5.759 -4.569 1.00 0.00 C ATOM 1313 C ARG A 86 -1.287 4.812 -4.977 1.00 0.00 C ATOM 1314 O ARG A 86 -2.304 5.239 -5.525 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.674 6.757 -3.528 1.00 0.00 C ATOM 1316 CG ARG A 86 0.330 7.846 -3.187 1.00 0.00 C ATOM 1317 CD ARG A 86 0.057 9.121 -3.968 1.00 0.00 C ATOM 1318 NE ARG A 86 0.408 10.316 -3.205 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.127 11.556 -3.600 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.508 11.768 -4.746 1.00 0.00 N ATOM 1321 NH2 ARG A 86 0.482 12.588 -2.846 1.00 0.00 N ATOM 0 HA ARG A 86 0.642 5.170 -4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.588 7.220 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.936 6.218 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.290 8.057 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.338 7.494 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.625 9.105 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.998 9.161 -4.239 1.00 0.00 H new ATOM 0 HE ARG A 86 0.897 10.193 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.784 10.978 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.720 12.720 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.970 12.431 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.267 13.538 -3.148 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.097 3.525 -4.707 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.095 2.518 -5.048 1.00 0.00 C ATOM 1337 C HIS A 87 -2.946 2.164 -3.834 1.00 0.00 C ATOM 1338 O HIS A 87 -2.436 1.668 -2.829 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.419 1.257 -5.592 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.257 1.536 -6.495 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.379 1.666 -7.862 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.058 1.709 -6.219 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.809 1.906 -8.388 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.697 1.938 -7.412 1.00 0.00 N ATOM 0 H HIS A 87 -0.262 3.155 -4.253 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.743 2.935 -5.819 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.078 0.648 -4.754 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.156 0.667 -6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.518 1.673 -5.242 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.018 2.051 -9.438 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.697 2.106 -7.526 1.00 0.00 H new ATOM 1353 N MET A 88 -4.247 2.414 -3.935 1.00 0.00 N ATOM 1354 CA MET A 88 -5.168 2.113 -2.845 1.00 0.00 C ATOM 1355 C MET A 88 -5.935 0.830 -3.135 1.00 0.00 C ATOM 1356 O MET A 88 -6.815 0.798 -3.995 1.00 0.00 O ATOM 1357 CB MET A 88 -6.148 3.267 -2.632 1.00 0.00 C ATOM 1358 CG MET A 88 -6.453 3.547 -1.167 1.00 0.00 C ATOM 1359 SD MET A 88 -7.439 2.249 -0.388 1.00 0.00 S ATOM 1360 CE MET A 88 -8.016 3.080 1.097 1.00 0.00 C ATOM 0 H MET A 88 -4.687 2.824 -4.759 1.00 0.00 H new ATOM 0 HA MET A 88 -4.583 1.978 -1.935 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.739 4.169 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.079 3.042 -3.152 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.516 3.660 -0.622 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.984 4.496 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.994 2.688 1.376 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.310 2.906 1.909 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.094 4.151 0.908 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.595 -0.225 -2.408 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.248 -1.514 -2.578 1.00 0.00 C ATOM 1372 C PHE A 89 -7.402 -1.648 -1.592 1.00 0.00 C ATOM 1373 O PHE A 89 -7.275 -1.269 -0.430 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.234 -2.639 -2.379 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.070 -3.509 -3.589 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.171 -4.105 -4.180 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.817 -3.723 -4.140 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.026 -4.899 -5.299 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.667 -4.518 -5.259 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.774 -5.105 -5.838 1.00 0.00 C ATOM 0 H PHE A 89 -4.868 -0.213 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.650 -1.584 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.268 -2.207 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.546 -3.256 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.154 -3.947 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.949 -3.264 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.892 -5.358 -5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.686 -4.680 -5.680 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.659 -5.726 -6.714 1.00 0.00 H new ATOM 1390 N SER A 90 -8.537 -2.163 -2.060 1.00 0.00 N ATOM 1391 CA SER A 90 -9.706 -2.304 -1.200 1.00 0.00 C ATOM 1392 C SER A 90 -10.370 -3.666 -1.349 1.00 0.00 C ATOM 1393 O SER A 90 -10.595 -4.146 -2.460 1.00 0.00 O ATOM 1394 CB SER A 90 -10.721 -1.211 -1.526 1.00 0.00 C ATOM 1395 OG SER A 90 -11.570 -0.955 -0.421 1.00 0.00 O ATOM 0 H SER A 90 -8.670 -2.486 -3.018 1.00 0.00 H new ATOM 0 HA SER A 90 -9.364 -2.210 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.198 -0.297 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.319 -1.511 -2.386 1.00 0.00 H new ATOM 0 HG SER A 90 -12.209 -0.250 -0.656 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.702 -4.271 -0.214 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.368 -5.567 -0.198 1.00 0.00 C ATOM 1403 C PHE A 91 -12.388 -5.618 0.933 1.00 0.00 C ATOM 1404 O PHE A 91 -12.433 -4.726 1.779 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.369 -6.724 -0.058 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.964 -6.316 0.287 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.201 -5.580 -0.602 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.401 -6.690 1.495 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.904 -5.226 -0.293 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.106 -6.336 1.808 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.356 -5.604 0.912 1.00 0.00 C ATOM 0 H PHE A 91 -10.519 -3.882 0.711 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.878 -5.686 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.732 -7.406 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.349 -7.282 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.626 -5.279 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.983 -7.265 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.319 -4.652 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.679 -6.632 2.755 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.341 -5.328 1.155 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.207 -6.662 0.940 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.227 -6.822 1.968 1.00 0.00 C ATOM 1423 C ASN A 92 -13.762 -7.796 3.042 1.00 0.00 C ATOM 1424 O ASN A 92 -14.568 -8.511 3.637 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.535 -7.315 1.346 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.342 -8.566 0.511 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.291 -9.677 1.039 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.235 -8.391 -0.801 1.00 0.00 N ATOM 0 H ASN A 92 -13.185 -7.410 0.246 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.399 -5.851 2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.257 -7.517 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.958 -6.527 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.105 -9.196 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.283 -7.452 -1.196 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.455 -7.825 3.282 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.888 -8.720 4.284 1.00 0.00 C ATOM 1437 C ASN A 93 -11.058 -7.961 5.313 1.00 0.00 C ATOM 1438 O ASN A 93 -10.015 -7.395 4.991 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.033 -9.794 3.612 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.789 -10.543 2.532 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.537 -11.478 2.817 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.596 -10.135 1.283 1.00 0.00 N ATOM 0 H ASN A 93 -11.772 -7.242 2.799 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.718 -9.194 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.148 -9.330 3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.685 -10.501 4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.077 -10.601 0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.967 -9.355 1.093 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.530 -7.970 6.556 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.836 -7.295 7.652 1.00 0.00 C ATOM 1451 C ARG A 94 -9.629 -8.105 8.107 1.00 0.00 C ATOM 1452 O ARG A 94 -8.545 -7.565 8.320 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.777 -7.070 8.842 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.876 -8.113 8.980 1.00 0.00 C ATOM 1455 CD ARG A 94 -13.511 -8.073 10.360 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.763 -8.869 11.330 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.647 -10.194 11.271 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.228 -10.874 10.291 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -11.947 -10.840 12.193 1.00 0.00 N ATOM 0 H ARG A 94 -12.393 -8.439 6.832 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.498 -6.328 7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.187 -7.058 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.236 -6.086 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.640 -7.941 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.463 -9.105 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.566 -7.040 10.704 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.534 -8.444 10.299 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.302 -8.381 12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.767 -10.382 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.136 -11.889 10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.497 -10.322 12.948 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.858 -11.855 12.148 1.00 0.00 H new ATOM 1473 N THR A 95 -9.831 -9.405 8.262 1.00 0.00 N ATOM 1474 CA THR A 95 -8.765 -10.299 8.695 1.00 0.00 C ATOM 1475 C THR A 95 -7.645 -10.345 7.659 1.00 0.00 C ATOM 1476 O THR A 95 -6.465 -10.259 7.999 1.00 0.00 O ATOM 1477 CB THR A 95 -9.326 -11.705 8.957 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.744 -12.266 10.119 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.108 -12.684 7.819 1.00 0.00 C ATOM 0 H THR A 95 -10.725 -9.866 8.094 1.00 0.00 H new ATOM 0 HA THR A 95 -8.346 -9.916 9.625 1.00 0.00 H new ATOM 0 HB THR A 95 -10.400 -11.557 9.074 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.114 -13.160 10.271 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.534 -13.652 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.594 -12.309 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.039 -12.796 7.635 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.025 -10.484 6.393 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.054 -10.543 5.305 1.00 0.00 C ATOM 1489 C VAL A 96 -6.164 -9.305 5.297 1.00 0.00 C ATOM 1490 O VAL A 96 -4.948 -9.404 5.462 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.747 -10.673 3.932 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.717 -10.785 2.815 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.686 -11.868 3.918 1.00 0.00 C ATOM 0 H VAL A 96 -8.998 -10.558 6.095 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.442 -11.429 5.477 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.336 -9.772 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.228 -10.876 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.089 -9.894 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.096 -11.665 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.165 -11.943 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.120 -12.778 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.448 -11.741 4.687 1.00 0.00 H new ATOM 1503 N MET A 97 -6.775 -8.138 5.102 1.00 0.00 N ATOM 1504 CA MET A 97 -6.025 -6.880 5.069 1.00 0.00 C ATOM 1505 C MET A 97 -5.045 -6.776 6.236 1.00 0.00 C ATOM 1506 O MET A 97 -3.852 -6.547 6.039 1.00 0.00 O ATOM 1507 CB MET A 97 -6.981 -5.685 5.099 1.00 0.00 C ATOM 1508 CG MET A 97 -8.105 -5.825 6.110 1.00 0.00 C ATOM 1509 SD MET A 97 -7.844 -4.823 7.585 1.00 0.00 S ATOM 1510 CE MET A 97 -7.609 -3.211 6.847 1.00 0.00 C ATOM 0 H MET A 97 -7.781 -8.035 4.965 1.00 0.00 H new ATOM 0 HA MET A 97 -5.455 -6.869 4.140 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.413 -4.783 5.324 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.412 -5.551 4.107 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.047 -5.537 5.642 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.200 -6.872 6.399 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.597 -2.861 7.052 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.758 -3.279 5.769 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.328 -2.509 7.269 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.559 -6.935 7.448 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.736 -6.848 8.650 1.00 0.00 C ATOM 1522 C ASP A 98 -3.702 -7.970 8.708 1.00 0.00 C ATOM 1523 O ASP A 98 -2.697 -7.859 9.409 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.618 -6.891 9.898 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.873 -6.465 11.148 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.946 -7.192 11.563 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.216 -5.404 11.711 1.00 0.00 O ATOM 0 H ASP A 98 -6.545 -7.126 7.627 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.201 -5.899 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.480 -6.240 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.001 -7.902 10.034 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.958 -9.056 7.986 1.00 0.00 N ATOM 1533 CA ASN A 99 -3.049 -10.198 7.980 1.00 0.00 C ATOM 1534 C ASN A 99 -1.907 -10.014 6.983 1.00 0.00 C ATOM 1535 O ASN A 99 -0.735 -10.047 7.359 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.818 -11.481 7.658 1.00 0.00 C ATOM 1537 CG ASN A 99 -2.973 -12.726 7.842 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -1.744 -12.657 7.880 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -3.630 -13.874 7.958 1.00 0.00 N ATOM 0 H ASN A 99 -4.784 -9.170 7.399 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.612 -10.273 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.697 -11.544 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.176 -11.438 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.115 -14.746 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.649 -13.884 7.921 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.250 -9.842 5.711 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.242 -9.677 4.669 1.00 0.00 C ATOM 1548 C ILE A 100 -0.362 -8.450 4.912 1.00 0.00 C ATOM 1549 O ILE A 100 0.862 -8.530 4.806 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.882 -9.583 3.269 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.797 -9.590 2.192 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.739 -8.334 3.152 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.327 -9.342 0.796 1.00 0.00 C ATOM 0 H ILE A 100 -3.213 -9.813 5.377 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.613 -10.566 4.710 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.525 -10.451 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.055 -8.828 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.284 -10.551 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.181 -8.288 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.532 -8.365 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.120 -7.452 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.501 -9.361 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.047 -10.118 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.815 -8.368 0.760 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.981 -7.318 5.240 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.231 -6.092 5.495 1.00 0.00 C ATOM 1567 C LYS A 101 0.718 -6.279 6.668 1.00 0.00 C ATOM 1568 O LYS A 101 1.850 -5.803 6.647 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.184 -4.931 5.779 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.491 -3.580 5.861 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.082 -3.245 7.288 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.279 -2.847 8.137 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.981 -2.941 9.593 1.00 0.00 N ATOM 0 H LYS A 101 -1.992 -7.225 5.335 1.00 0.00 H new ATOM 0 HA LYS A 101 0.353 -5.860 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.942 -4.894 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.704 -5.121 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.391 -3.584 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.157 -2.805 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.412 -4.107 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.643 -2.431 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.575 -1.827 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.125 -3.491 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.821 -2.662 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.723 -3.920 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.190 -2.307 9.827 1.00 0.00 H new ATOM 1587 N MET A 102 0.246 -6.977 7.692 1.00 0.00 N ATOM 1588 CA MET A 102 1.055 -7.230 8.882 1.00 0.00 C ATOM 1589 C MET A 102 2.420 -7.798 8.502 1.00 0.00 C ATOM 1590 O MET A 102 3.411 -7.585 9.201 1.00 0.00 O ATOM 1591 CB MET A 102 0.331 -8.197 9.822 1.00 0.00 C ATOM 1592 CG MET A 102 1.109 -8.516 11.089 1.00 0.00 C ATOM 1593 SD MET A 102 0.943 -10.240 11.591 1.00 0.00 S ATOM 1594 CE MET A 102 2.468 -10.928 10.950 1.00 0.00 C ATOM 0 H MET A 102 -0.691 -7.379 7.725 1.00 0.00 H new ATOM 0 HA MET A 102 1.206 -6.281 9.396 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.633 -7.769 10.096 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.128 -9.125 9.288 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.163 -8.288 10.931 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.761 -7.872 11.896 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.513 -11.992 11.182 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.503 -10.790 9.869 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.317 -10.421 11.408 1.00 0.00 H new ATOM 1604 N THR A 103 2.461 -8.521 7.388 1.00 0.00 N ATOM 1605 CA THR A 103 3.700 -9.124 6.908 1.00 0.00 C ATOM 1606 C THR A 103 4.459 -8.167 5.993 1.00 0.00 C ATOM 1607 O THR A 103 5.625 -7.854 6.237 1.00 0.00 O ATOM 1608 CB THR A 103 3.394 -10.426 6.166 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.741 -11.347 7.022 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.626 -11.110 5.612 1.00 0.00 C ATOM 0 H THR A 103 1.649 -8.704 6.799 1.00 0.00 H new ATOM 0 HA THR A 103 4.330 -9.340 7.771 1.00 0.00 H new ATOM 0 HB THR A 103 2.756 -10.137 5.331 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.552 -12.173 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.334 -12.026 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.127 -10.444 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.306 -11.353 6.429 1.00 0.00 H new ATOM 1618 N LEU A 104 3.796 -7.712 4.936 1.00 0.00 N ATOM 1619 CA LEU A 104 4.412 -6.798 3.980 1.00 0.00 C ATOM 1620 C LEU A 104 4.812 -5.482 4.650 1.00 0.00 C ATOM 1621 O LEU A 104 5.754 -4.818 4.219 1.00 0.00 O ATOM 1622 CB LEU A 104 3.458 -6.539 2.806 1.00 0.00 C ATOM 1623 CG LEU A 104 2.541 -5.321 2.949 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.194 -4.090 2.343 1.00 0.00 C ATOM 1625 CD2 LEU A 104 1.194 -5.587 2.293 1.00 0.00 C ATOM 0 H LEU A 104 2.831 -7.961 4.719 1.00 0.00 H new ATOM 0 HA LEU A 104 5.320 -7.265 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.052 -6.419 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.837 -7.423 2.665 1.00 0.00 H new ATOM 0 HG LEU A 104 2.376 -5.137 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.529 -3.234 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.134 -3.887 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.388 -4.265 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.556 -4.711 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.340 -5.797 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.720 -6.444 2.770 1.00 0.00 H new ATOM 1637 N GLN A 105 4.087 -5.113 5.700 1.00 0.00 N ATOM 1638 CA GLN A 105 4.361 -3.877 6.427 1.00 0.00 C ATOM 1639 C GLN A 105 5.762 -3.889 7.026 1.00 0.00 C ATOM 1640 O GLN A 105 6.586 -3.026 6.723 1.00 0.00 O ATOM 1641 CB GLN A 105 3.328 -3.674 7.537 1.00 0.00 C ATOM 1642 CG GLN A 105 3.501 -2.369 8.298 1.00 0.00 C ATOM 1643 CD GLN A 105 3.378 -2.548 9.799 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.937 -3.482 10.372 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.641 -1.651 10.443 1.00 0.00 N ATOM 0 H GLN A 105 3.304 -5.653 6.068 1.00 0.00 H new ATOM 0 HA GLN A 105 4.296 -3.052 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.329 -3.701 7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.393 -4.506 8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.477 -1.944 8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.752 -1.653 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.195 -0.892 9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.521 -1.721 11.453 1.00 0.00 H new ATOM 1654 N GLN A 106 6.023 -4.871 7.884 1.00 0.00 N ATOM 1655 CA GLN A 106 7.323 -4.998 8.537 1.00 0.00 C ATOM 1656 C GLN A 106 8.464 -4.846 7.534 1.00 0.00 C ATOM 1657 O GLN A 106 9.484 -4.223 7.831 1.00 0.00 O ATOM 1658 CB GLN A 106 7.430 -6.350 9.245 1.00 0.00 C ATOM 1659 CG GLN A 106 6.383 -6.554 10.327 1.00 0.00 C ATOM 1660 CD GLN A 106 6.943 -7.241 11.557 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.968 -6.828 12.101 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.272 -8.297 12.003 1.00 0.00 N ATOM 0 H GLN A 106 5.350 -5.592 8.144 1.00 0.00 H new ATOM 0 HA GLN A 106 7.407 -4.198 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.337 -7.146 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.421 -6.441 9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.968 -5.588 10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.562 -7.148 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.427 -8.605 11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.602 -8.800 12.827 1.00 0.00 H new ATOM 1671 N ILE A 107 8.289 -5.423 6.350 1.00 0.00 N ATOM 1672 CA ILE A 107 9.298 -5.357 5.314 1.00 0.00 C ATOM 1673 C ILE A 107 9.614 -3.918 4.930 1.00 0.00 C ATOM 1674 O ILE A 107 10.772 -3.569 4.728 1.00 0.00 O ATOM 1675 CB ILE A 107 8.855 -6.162 4.075 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.593 -7.491 4.055 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.094 -5.391 2.784 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.837 -8.595 3.347 1.00 0.00 C ATOM 0 H ILE A 107 7.451 -5.943 6.089 1.00 0.00 H new ATOM 0 HA ILE A 107 10.210 -5.801 5.713 1.00 0.00 H new ATOM 0 HB ILE A 107 7.782 -6.340 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.558 -7.353 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.795 -7.800 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.769 -5.993 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.528 -4.460 2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.156 -5.168 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.425 -9.513 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.883 -8.761 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.659 -8.307 2.311 1.00 0.00 H new ATOM 1690 N ILE A 108 8.590 -3.083 4.831 1.00 0.00 N ATOM 1691 CA ILE A 108 8.806 -1.689 4.476 1.00 0.00 C ATOM 1692 C ILE A 108 9.520 -0.964 5.601 1.00 0.00 C ATOM 1693 O ILE A 108 10.315 -0.054 5.369 1.00 0.00 O ATOM 1694 CB ILE A 108 7.496 -0.951 4.158 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.571 -1.830 3.314 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.806 0.352 3.441 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.213 -2.337 2.041 1.00 0.00 C ATOM 0 H ILE A 108 7.616 -3.341 4.989 1.00 0.00 H new ATOM 0 HA ILE A 108 9.419 -1.689 3.575 1.00 0.00 H new ATOM 0 HB ILE A 108 6.980 -0.726 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.247 -2.682 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.677 -1.262 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.876 0.874 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.429 0.979 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.336 0.139 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.499 -2.953 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.512 -1.491 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.091 -2.933 2.289 1.00 0.00 H new ATOM 1709 N SER A 109 9.235 -1.387 6.820 1.00 0.00 N ATOM 1710 CA SER A 109 9.849 -0.800 7.998 1.00 0.00 C ATOM 1711 C SER A 109 11.315 -1.212 8.092 1.00 0.00 C ATOM 1712 O SER A 109 12.126 -0.522 8.709 1.00 0.00 O ATOM 1713 CB SER A 109 9.095 -1.234 9.254 1.00 0.00 C ATOM 1714 OG SER A 109 9.153 -0.234 10.257 1.00 0.00 O ATOM 0 H SER A 109 8.577 -2.140 7.021 1.00 0.00 H new ATOM 0 HA SER A 109 9.798 0.286 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.055 -1.442 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.522 -2.161 9.636 1.00 0.00 H new ATOM 0 HG SER A 109 8.662 -0.536 11.049 1.00 0.00 H new ATOM 1720 N ARG A 110 11.648 -2.340 7.469 1.00 0.00 N ATOM 1721 CA ARG A 110 13.015 -2.840 7.475 1.00 0.00 C ATOM 1722 C ARG A 110 13.733 -2.457 6.181 1.00 0.00 C ATOM 1723 O ARG A 110 14.883 -2.019 6.208 1.00 0.00 O ATOM 1724 CB ARG A 110 13.025 -4.362 7.678 1.00 0.00 C ATOM 1725 CG ARG A 110 12.910 -5.171 6.394 1.00 0.00 C ATOM 1726 CD ARG A 110 12.971 -6.665 6.669 1.00 0.00 C ATOM 1727 NE ARG A 110 13.726 -7.380 5.643 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.779 -8.707 5.551 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.122 -9.466 6.420 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.489 -9.277 4.588 1.00 0.00 N ATOM 0 H ARG A 110 10.988 -2.923 6.954 1.00 0.00 H new ATOM 0 HA ARG A 110 13.550 -2.381 8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.947 -4.642 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.201 -4.633 8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.972 -4.930 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.715 -4.892 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.431 -6.836 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.959 -7.066 6.720 1.00 0.00 H new ATOM 0 HE ARG A 110 14.243 -6.830 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.573 -9.033 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.166 -10.482 6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 110 14.995 -8.699 3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 110 14.529 -10.294 4.518 1.00 0.00 H new ATOM 1744 N TYR A 111 13.048 -2.620 5.050 1.00 0.00 N ATOM 1745 CA TYR A 111 13.629 -2.282 3.755 1.00 0.00 C ATOM 1746 C TYR A 111 13.927 -0.789 3.666 1.00 0.00 C ATOM 1747 O TYR A 111 14.931 -0.382 3.086 1.00 0.00 O ATOM 1748 CB TYR A 111 12.684 -2.692 2.621 1.00 0.00 C ATOM 1749 CG TYR A 111 12.873 -4.116 2.135 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.611 -5.039 2.869 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.307 -4.536 0.937 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.779 -6.336 2.421 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.471 -5.831 0.484 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.207 -6.727 1.229 1.00 0.00 C ATOM 1755 OH TYR A 111 13.373 -8.017 0.781 1.00 0.00 O ATOM 0 H TYR A 111 12.095 -2.982 5.006 1.00 0.00 H new ATOM 0 HA TYR A 111 14.566 -2.830 3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.655 -2.570 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.827 -2.012 1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.060 -4.737 3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.729 -3.838 0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.356 -7.040 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.024 -6.140 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 111 14.126 -8.052 0.155 1.00 0.00 H new ATOM 1765 N LYS A 112 13.047 0.021 4.247 1.00 0.00 N ATOM 1766 CA LYS A 112 13.206 1.469 4.241 1.00 0.00 C ATOM 1767 C LYS A 112 14.588 1.873 4.737 1.00 0.00 C ATOM 1768 O LYS A 112 15.270 2.696 4.126 1.00 0.00 O ATOM 1769 CB LYS A 112 12.138 2.097 5.130 1.00 0.00 C ATOM 1770 CG LYS A 112 10.855 2.420 4.394 1.00 0.00 C ATOM 1771 CD LYS A 112 10.900 3.823 3.833 1.00 0.00 C ATOM 1772 CE LYS A 112 11.921 3.940 2.714 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.879 5.278 2.060 1.00 0.00 N ATOM 0 H LYS A 112 12.211 -0.306 4.731 1.00 0.00 H new ATOM 0 HA LYS A 112 13.096 1.825 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.915 1.417 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.535 3.011 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.703 1.704 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.007 2.321 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.914 4.098 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.147 4.527 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.919 3.763 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.734 3.166 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.689 5.162 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.125 5.851 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.794 5.756 2.189 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.432 5.650 3.355 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.067 6.894 4.025 1.00 0.00 C ATOM 1971 C ASP B 70 -10.770 6.679 5.511 1.00 0.00 C ATOM 1972 O ASP B 70 -11.337 7.351 6.372 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.184 7.922 3.855 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.835 9.265 4.467 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -10.810 9.854 4.062 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.587 9.728 5.350 1.00 0.00 O ATOM 0 HA ASP B 70 -10.154 7.265 3.560 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.394 8.054 2.794 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.096 7.542 4.316 1.00 0.00 H new ATOM 1981 N ALA B 71 -9.863 5.751 5.801 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.470 5.460 7.178 1.00 0.00 C ATOM 1983 C ALA B 71 -8.135 4.724 7.218 1.00 0.00 C ATOM 1984 O ALA B 71 -7.866 3.956 8.140 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.545 4.653 7.892 1.00 0.00 C ATOM 0 H ALA B 71 -9.385 5.186 5.100 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.354 6.410 7.700 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.228 4.450 8.915 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.476 5.220 7.906 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.702 3.711 7.367 1.00 0.00 H new ATOM 1991 N THR B 72 -7.299 4.966 6.211 1.00 0.00 N ATOM 1992 CA THR B 72 -5.989 4.326 6.133 1.00 0.00 C ATOM 1993 C THR B 72 -4.861 5.357 6.180 1.00 0.00 C ATOM 1994 O THR B 72 -3.685 4.996 6.189 1.00 0.00 O ATOM 1995 CB THR B 72 -5.863 3.493 4.855 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.878 3.826 3.926 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.937 2.005 5.101 1.00 0.00 C ATOM 0 H THR B 72 -7.505 5.600 5.439 1.00 0.00 H new ATOM 0 HA THR B 72 -5.900 3.670 6.999 1.00 0.00 H new ATOM 0 HB THR B 72 -4.877 3.733 4.458 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.701 4.714 3.552 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.841 1.474 4.154 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.129 1.706 5.768 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.895 1.759 5.559 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.219 6.641 6.186 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.220 7.707 6.206 1.00 0.00 C ATOM 2007 C TRP B 73 -3.999 8.242 7.618 1.00 0.00 C ATOM 2008 O TRP B 73 -3.818 9.445 7.809 1.00 0.00 O ATOM 2009 CB TRP B 73 -4.635 8.860 5.279 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.597 8.460 4.199 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.666 9.173 3.748 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.576 7.252 3.439 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.314 8.480 2.753 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.660 7.294 2.546 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.743 6.139 3.429 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.926 6.258 1.656 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.007 5.115 2.550 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.087 5.180 1.677 1.00 0.00 C ATOM 0 H TRP B 73 -6.186 6.966 6.177 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.284 7.277 5.849 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.087 9.650 5.879 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -3.742 9.281 4.818 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -6.962 10.143 4.119 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.144 8.796 2.252 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -3.900 6.079 4.102 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.763 6.304 0.975 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.365 4.246 2.538 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.267 4.359 0.999 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.012 7.354 8.609 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.807 7.776 9.991 1.00 0.00 C ATOM 2031 C ASP B 74 -3.411 6.615 10.905 1.00 0.00 C ATOM 2032 O ASP B 74 -3.546 6.706 12.125 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.072 8.451 10.525 1.00 0.00 C ATOM 2034 CG ASP B 74 -4.775 9.446 11.630 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -3.845 9.192 12.423 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -5.473 10.479 11.702 1.00 0.00 O ATOM 0 H ASP B 74 -4.160 6.353 8.484 1.00 0.00 H new ATOM 0 HA ASP B 74 -2.979 8.485 9.992 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.581 8.962 9.707 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.756 7.690 10.900 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.906 5.536 10.320 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.473 4.377 11.098 1.00 0.00 C ATOM 2043 C LEU B 75 -1.098 3.905 10.653 1.00 0.00 C ATOM 2044 O LEU B 75 -0.543 2.961 11.214 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.480 3.227 10.999 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.965 2.883 9.589 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.740 4.040 8.994 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.796 2.525 8.688 1.00 0.00 C ATOM 0 H LEU B 75 -2.785 5.437 9.312 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.415 4.691 12.140 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.028 2.336 11.434 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.348 3.476 11.610 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.625 2.019 9.663 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.076 3.775 7.991 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.605 4.259 9.621 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.098 4.919 8.941 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.165 2.284 7.691 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.111 3.371 8.627 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.271 1.662 9.099 1.00 0.00 H new