USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 711 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.644 USER MOD Single : A 8 GLN : amide:sc= -5.22! C(o=-5.2!,f=-3.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.026) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00426) USER MOD Single : A 23 GLN : amide:sc= -9.77! C(o=-9.8!,f=-14!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 105:sc= 0.935 USER MOD Single : A 34 THR OG1 : rot 43:sc= 0.224 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 38 MET CE :methyl -177:sc= -3.01 (180deg=-3.03) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 47 MET CE :methyl 164:sc= -0.348 (180deg=-1.16) USER MOD Single : A 55 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.0078) USER MOD Single : A 56 ASN : amide:sc= -1.48 K(o=-1.5,f=-5.4!) USER MOD Single : A 57 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.0089) USER MOD Single : A 58 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-3.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -47:sc= -0.936 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -2.14 (180deg=-3.9!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0212 (180deg=-0.234) USER MOD Single : A 80 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.2!) USER MOD Single : A 86 THR OG1 : rot -17:sc= 0.567 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.847 34.894 26.608 1.00 0.00 N ATOM 2 CA GLY A 1 -25.064 33.642 25.907 1.00 0.00 C ATOM 3 C GLY A 1 -24.413 33.625 24.537 1.00 0.00 C ATOM 4 O GLY A 1 -23.375 34.252 24.327 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.679 34.703 27.616 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.020 35.378 26.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.686 35.499 26.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.668 32.821 26.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.135 33.470 25.799 1.00 0.00 H new ATOM 8 N SER A 2 -25.024 32.903 23.603 1.00 0.00 N ATOM 9 CA SER A 2 -24.496 32.801 22.248 1.00 0.00 C ATOM 10 C SER A 2 -23.367 31.777 22.181 1.00 0.00 C ATOM 11 O SER A 2 -22.207 32.097 22.440 1.00 0.00 O ATOM 12 CB SER A 2 -23.992 34.165 21.771 1.00 0.00 C ATOM 13 OG SER A 2 -24.431 34.437 20.452 1.00 0.00 O ATOM 0 H SER A 2 -25.885 32.380 23.760 1.00 0.00 H new ATOM 0 HA SER A 2 -25.302 32.470 21.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.349 34.944 22.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.903 34.187 21.807 1.00 0.00 H new ATOM 0 HG SER A 2 -24.098 35.315 20.171 1.00 0.00 H new ATOM 19 N SER A 3 -23.716 30.543 21.831 1.00 0.00 N ATOM 20 CA SER A 3 -22.733 29.470 21.733 1.00 0.00 C ATOM 21 C SER A 3 -22.534 29.046 20.281 1.00 0.00 C ATOM 22 O SER A 3 -23.287 29.451 19.396 1.00 0.00 O ATOM 23 CB SER A 3 -23.175 28.268 22.570 1.00 0.00 C ATOM 24 OG SER A 3 -23.668 28.680 23.833 1.00 0.00 O ATOM 0 H SER A 3 -24.671 30.262 21.611 1.00 0.00 H new ATOM 0 HA SER A 3 -21.784 29.844 22.118 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.948 27.714 22.037 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.334 27.588 22.708 1.00 0.00 H new ATOM 0 HG SER A 3 -23.946 27.894 24.348 1.00 0.00 H new ATOM 30 N GLY A 4 -21.513 28.228 20.044 1.00 0.00 N ATOM 31 CA GLY A 4 -21.232 27.763 18.698 1.00 0.00 C ATOM 32 C GLY A 4 -20.184 26.668 18.671 1.00 0.00 C ATOM 33 O GLY A 4 -19.625 26.308 19.707 1.00 0.00 O ATOM 0 H GLY A 4 -20.876 27.879 20.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.152 27.393 18.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.893 28.602 18.090 1.00 0.00 H new ATOM 37 N SER A 5 -19.917 26.137 17.482 1.00 0.00 N ATOM 38 CA SER A 5 -18.932 25.073 17.324 1.00 0.00 C ATOM 39 C SER A 5 -18.412 25.022 15.891 1.00 0.00 C ATOM 40 O SER A 5 -19.124 25.367 14.948 1.00 0.00 O ATOM 41 CB SER A 5 -19.543 23.723 17.705 1.00 0.00 C ATOM 42 OG SER A 5 -20.958 23.765 17.633 1.00 0.00 O ATOM 0 H SER A 5 -20.369 26.426 16.614 1.00 0.00 H new ATOM 0 HA SER A 5 -18.095 25.286 17.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.165 22.948 17.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.235 23.453 18.715 1.00 0.00 H new ATOM 0 HG SER A 5 -21.324 22.890 17.879 1.00 0.00 H new ATOM 48 N SER A 6 -17.165 24.589 15.735 1.00 0.00 N ATOM 49 CA SER A 6 -16.547 24.496 14.418 1.00 0.00 C ATOM 50 C SER A 6 -16.167 23.054 14.096 1.00 0.00 C ATOM 51 O SER A 6 -16.250 22.174 14.951 1.00 0.00 O ATOM 52 CB SER A 6 -15.307 25.390 14.349 1.00 0.00 C ATOM 53 OG SER A 6 -14.315 24.822 13.511 1.00 0.00 O ATOM 0 H SER A 6 -16.563 24.297 16.505 1.00 0.00 H new ATOM 0 HA SER A 6 -17.273 24.835 13.679 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.585 26.375 13.973 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.902 25.534 15.351 1.00 0.00 H new ATOM 0 HG SER A 6 -13.534 25.413 13.482 1.00 0.00 H new ATOM 59 N GLY A 7 -15.750 22.821 12.856 1.00 0.00 N ATOM 60 CA GLY A 7 -15.364 21.485 12.442 1.00 0.00 C ATOM 61 C GLY A 7 -14.844 21.446 11.018 1.00 0.00 C ATOM 62 O GLY A 7 -15.366 22.135 10.142 1.00 0.00 O ATOM 0 H GLY A 7 -15.672 23.534 12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.596 21.107 13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.222 20.819 12.531 1.00 0.00 H new ATOM 66 N GLN A 8 -13.812 20.641 10.788 1.00 0.00 N ATOM 67 CA GLN A 8 -13.220 20.518 9.461 1.00 0.00 C ATOM 68 C GLN A 8 -14.223 19.938 8.470 1.00 0.00 C ATOM 69 O GLN A 8 -15.040 19.080 8.805 1.00 0.00 O ATOM 70 CB GLN A 8 -11.971 19.636 9.516 1.00 0.00 C ATOM 71 CG GLN A 8 -10.783 20.306 10.188 1.00 0.00 C ATOM 72 CD GLN A 8 -11.145 20.939 11.517 1.00 0.00 C ATOM 73 OE1 GLN A 8 -10.807 20.416 12.580 1.00 0.00 O ATOM 74 NE2 GLN A 8 -11.837 22.071 11.466 1.00 0.00 N ATOM 0 H GLN A 8 -13.368 20.064 11.503 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.937 21.515 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.209 18.716 10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.692 19.352 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.995 19.569 10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.378 21.070 9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.096 22.470 10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.109 22.542 12.329 1.00 0.00 H new ATOM 83 N PRO A 9 -14.163 20.416 7.218 1.00 0.00 N ATOM 84 CA PRO A 9 -15.059 19.959 6.151 1.00 0.00 C ATOM 85 C PRO A 9 -14.765 18.525 5.723 1.00 0.00 C ATOM 86 O PRO A 9 -13.642 18.201 5.335 1.00 0.00 O ATOM 87 CB PRO A 9 -14.769 20.930 5.004 1.00 0.00 C ATOM 88 CG PRO A 9 -13.380 21.406 5.253 1.00 0.00 C ATOM 89 CD PRO A 9 -13.215 21.439 6.747 1.00 0.00 C ATOM 0 HA PRO A 9 -16.102 19.953 6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.850 20.435 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.477 21.759 4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.651 20.738 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.223 22.394 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.192 21.206 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.449 22.422 7.155 1.00 0.00 H new ATOM 97 N ILE A 10 -15.780 17.671 5.795 1.00 0.00 N ATOM 98 CA ILE A 10 -15.631 16.273 5.413 1.00 0.00 C ATOM 99 C ILE A 10 -14.984 16.145 4.038 1.00 0.00 C ATOM 100 O ILE A 10 -15.077 17.050 3.209 1.00 0.00 O ATOM 101 CB ILE A 10 -16.987 15.544 5.399 1.00 0.00 C ATOM 102 CG1 ILE A 10 -17.016 14.454 6.472 1.00 0.00 C ATOM 103 CG2 ILE A 10 -17.255 14.950 4.024 1.00 0.00 C ATOM 104 CD1 ILE A 10 -17.985 13.332 6.168 1.00 0.00 C ATOM 0 H ILE A 10 -16.715 17.923 6.115 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.987 15.810 6.160 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.773 16.266 5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.015 14.038 6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.282 14.904 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.217 14.438 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.273 15.747 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.467 14.239 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.952 12.596 6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.994 13.735 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.707 12.856 5.228 1.00 0.00 H new ATOM 116 N LYS A 11 -14.328 15.013 3.801 1.00 0.00 N ATOM 117 CA LYS A 11 -13.668 14.764 2.526 1.00 0.00 C ATOM 118 C LYS A 11 -14.036 13.387 1.982 1.00 0.00 C ATOM 119 O LYS A 11 -14.724 12.612 2.646 1.00 0.00 O ATOM 120 CB LYS A 11 -12.149 14.872 2.685 1.00 0.00 C ATOM 121 CG LYS A 11 -11.656 16.297 2.860 1.00 0.00 C ATOM 122 CD LYS A 11 -10.549 16.630 1.874 1.00 0.00 C ATOM 123 CE LYS A 11 -9.628 17.714 2.414 1.00 0.00 C ATOM 124 NZ LYS A 11 -10.124 19.078 2.084 1.00 0.00 N ATOM 0 H LYS A 11 -14.240 14.254 4.476 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.008 15.518 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.839 14.281 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.668 14.435 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.487 16.990 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.291 16.434 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.969 15.732 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.987 16.959 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.541 17.611 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.629 17.581 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.469 19.788 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.183 19.186 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.067 19.215 2.501 1.00 0.00 H new ATOM 138 N GLN A 12 -13.571 13.089 0.773 1.00 0.00 N ATOM 139 CA GLN A 12 -13.852 11.805 0.142 1.00 0.00 C ATOM 140 C GLN A 12 -13.445 10.651 1.052 1.00 0.00 C ATOM 141 O GLN A 12 -12.789 10.856 2.073 1.00 0.00 O ATOM 142 CB GLN A 12 -13.119 11.699 -1.196 1.00 0.00 C ATOM 143 CG GLN A 12 -11.682 12.193 -1.143 1.00 0.00 C ATOM 144 CD GLN A 12 -11.417 13.324 -2.116 1.00 0.00 C ATOM 145 OE1 GLN A 12 -10.843 14.351 -1.752 1.00 0.00 O ATOM 146 NE2 GLN A 12 -11.835 13.142 -3.364 1.00 0.00 N ATOM 0 H GLN A 12 -12.998 13.719 0.211 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.926 11.743 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.125 10.659 -1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.664 12.272 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.454 12.529 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.009 11.364 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.306 12.275 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.684 13.869 -4.063 1.00 0.00 H new ATOM 155 N GLU A 13 -13.837 9.438 0.674 1.00 0.00 N ATOM 156 CA GLU A 13 -13.513 8.252 1.458 1.00 0.00 C ATOM 157 C GLU A 13 -12.515 7.367 0.717 1.00 0.00 C ATOM 158 O GLU A 13 -12.864 6.698 -0.257 1.00 0.00 O ATOM 159 CB GLU A 13 -14.783 7.458 1.770 1.00 0.00 C ATOM 160 CG GLU A 13 -15.910 7.697 0.780 1.00 0.00 C ATOM 161 CD GLU A 13 -16.971 6.615 0.831 1.00 0.00 C ATOM 162 OE1 GLU A 13 -16.608 5.423 0.742 1.00 0.00 O ATOM 163 OE2 GLU A 13 -18.164 6.959 0.960 1.00 0.00 O ATOM 0 H GLU A 13 -14.379 9.251 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.058 8.578 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.542 6.395 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.128 7.720 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.371 8.663 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.498 7.749 -0.228 1.00 0.00 H new ATOM 170 N LEU A 14 -11.272 7.368 1.185 1.00 0.00 N ATOM 171 CA LEU A 14 -10.221 6.566 0.568 1.00 0.00 C ATOM 172 C LEU A 14 -10.371 5.094 0.939 1.00 0.00 C ATOM 173 O LEU A 14 -10.412 4.743 2.118 1.00 0.00 O ATOM 174 CB LEU A 14 -8.844 7.075 0.997 1.00 0.00 C ATOM 175 CG LEU A 14 -8.545 8.543 0.690 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.708 9.161 1.799 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.838 8.674 -0.650 1.00 0.00 C ATOM 0 H LEU A 14 -10.967 7.915 1.990 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.314 6.660 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.740 6.921 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.085 6.461 0.512 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.491 9.082 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.505 10.206 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.252 9.101 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.766 8.620 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.633 9.725 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.900 8.120 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.474 8.270 -1.438 1.00 0.00 H new ATOM 189 N SER A 15 -10.449 4.238 -0.075 1.00 0.00 N ATOM 190 CA SER A 15 -10.595 2.804 0.145 1.00 0.00 C ATOM 191 C SER A 15 -9.341 2.056 -0.298 1.00 0.00 C ATOM 192 O SER A 15 -8.711 2.412 -1.294 1.00 0.00 O ATOM 193 CB SER A 15 -11.814 2.272 -0.611 1.00 0.00 C ATOM 194 OG SER A 15 -12.293 3.227 -1.542 1.00 0.00 O ATOM 0 H SER A 15 -10.414 4.513 -1.057 1.00 0.00 H new ATOM 0 HA SER A 15 -10.738 2.638 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.550 1.352 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.604 2.021 0.097 1.00 0.00 H new ATOM 0 HG SER A 15 -13.071 2.863 -2.013 1.00 0.00 H new ATOM 200 N CYS A 16 -8.984 1.017 0.450 1.00 0.00 N ATOM 201 CA CYS A 16 -7.806 0.218 0.137 1.00 0.00 C ATOM 202 C CYS A 16 -8.189 -1.025 -0.661 1.00 0.00 C ATOM 203 O CYS A 16 -8.693 -2.003 -0.107 1.00 0.00 O ATOM 204 CB CYS A 16 -7.085 -0.191 1.423 1.00 0.00 C ATOM 205 SG CYS A 16 -5.954 -1.605 1.224 1.00 0.00 S ATOM 0 H CYS A 16 -9.494 0.709 1.278 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.136 0.826 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.520 0.663 1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.828 -0.438 2.181 1.00 0.00 H new ATOM 210 N LYS A 17 -7.947 -0.981 -1.967 1.00 0.00 N ATOM 211 CA LYS A 17 -8.264 -2.103 -2.843 1.00 0.00 C ATOM 212 C LYS A 17 -7.136 -3.129 -2.843 1.00 0.00 C ATOM 213 O LYS A 17 -6.656 -3.538 -3.900 1.00 0.00 O ATOM 214 CB LYS A 17 -8.517 -1.607 -4.269 1.00 0.00 C ATOM 215 CG LYS A 17 -9.742 -0.719 -4.396 1.00 0.00 C ATOM 216 CD LYS A 17 -11.017 -1.479 -4.069 1.00 0.00 C ATOM 217 CE LYS A 17 -12.253 -0.631 -4.330 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.120 -0.530 -3.123 1.00 0.00 N ATOM 0 H LYS A 17 -7.532 -0.180 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.167 -2.583 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.642 -1.056 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.632 -2.467 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.644 0.135 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.803 -0.324 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.064 -2.388 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.000 -1.788 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.949 0.368 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.823 -1.063 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.099 -0.336 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.087 -1.426 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.780 0.242 -2.515 1.00 0.00 H new ATOM 232 N TRP A 18 -6.719 -3.542 -1.651 1.00 0.00 N ATOM 233 CA TRP A 18 -5.648 -4.523 -1.514 1.00 0.00 C ATOM 234 C TRP A 18 -6.203 -5.943 -1.544 1.00 0.00 C ATOM 235 O TRP A 18 -6.721 -6.437 -0.543 1.00 0.00 O ATOM 236 CB TRP A 18 -4.879 -4.290 -0.213 1.00 0.00 C ATOM 237 CG TRP A 18 -3.749 -5.253 -0.010 1.00 0.00 C ATOM 238 CD1 TRP A 18 -3.848 -6.577 0.313 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.350 -4.968 -0.115 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.595 -7.131 0.415 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.659 -6.165 0.156 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.613 -3.818 -0.414 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.269 -6.242 0.138 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.234 -3.897 -0.431 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.427 -5.101 -0.158 1.00 0.00 C ATOM 0 H TRP A 18 -7.106 -3.213 -0.766 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.968 -4.401 -2.357 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.486 -3.273 -0.209 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.569 -4.368 0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.775 -7.110 0.466 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.394 -8.104 0.646 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.113 -2.885 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.242 -7.169 0.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.345 -3.014 -0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.506 -5.130 -0.181 1.00 0.00 H new ATOM 256 N ILE A 19 -6.090 -6.593 -2.697 1.00 0.00 N ATOM 257 CA ILE A 19 -6.580 -7.957 -2.855 1.00 0.00 C ATOM 258 C ILE A 19 -5.464 -8.971 -2.628 1.00 0.00 C ATOM 259 O ILE A 19 -4.702 -9.286 -3.543 1.00 0.00 O ATOM 260 CB ILE A 19 -7.184 -8.179 -4.255 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.282 -7.150 -4.530 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.734 -9.593 -4.375 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.132 -6.448 -5.861 1.00 0.00 C ATOM 0 H ILE A 19 -5.664 -6.198 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.358 -8.103 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.398 -8.050 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.251 -7.648 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.279 -6.406 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.158 -9.736 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.929 -10.311 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.510 -9.747 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.945 -5.733 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.178 -5.922 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.165 -7.183 -6.666 1.00 0.00 H new ATOM 275 N ASP A 20 -5.376 -9.481 -1.405 1.00 0.00 N ATOM 276 CA ASP A 20 -4.355 -10.462 -1.057 1.00 0.00 C ATOM 277 C ASP A 20 -4.714 -11.838 -1.610 1.00 0.00 C ATOM 278 O ASP A 20 -5.552 -11.959 -2.503 1.00 0.00 O ATOM 279 CB ASP A 20 -4.185 -10.538 0.461 1.00 0.00 C ATOM 280 CG ASP A 20 -2.761 -10.860 0.869 1.00 0.00 C ATOM 281 OD1 ASP A 20 -1.827 -10.409 0.172 1.00 0.00 O ATOM 282 OD2 ASP A 20 -2.579 -11.562 1.885 1.00 0.00 O ATOM 0 H ASP A 20 -6.000 -9.231 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.413 -10.144 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.481 -9.587 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.855 -11.299 0.861 1.00 0.00 H new ATOM 287 N GLU A 21 -4.072 -12.872 -1.075 1.00 0.00 N ATOM 288 CA GLU A 21 -4.323 -14.238 -1.517 1.00 0.00 C ATOM 289 C GLU A 21 -4.682 -15.135 -0.336 1.00 0.00 C ATOM 290 O GLU A 21 -5.623 -15.925 -0.406 1.00 0.00 O ATOM 291 CB GLU A 21 -3.096 -14.797 -2.241 1.00 0.00 C ATOM 292 CG GLU A 21 -3.299 -16.199 -2.791 1.00 0.00 C ATOM 293 CD GLU A 21 -2.323 -16.538 -3.900 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.140 -16.793 -3.592 1.00 0.00 O ATOM 295 OE2 GLU A 21 -2.742 -16.549 -5.076 1.00 0.00 O ATOM 0 H GLU A 21 -3.375 -12.789 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.167 -14.220 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.833 -14.129 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.251 -14.805 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.189 -16.922 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.318 -16.294 -3.167 1.00 0.00 H new ATOM 302 N ALA A 22 -3.924 -15.007 0.749 1.00 0.00 N ATOM 303 CA ALA A 22 -4.163 -15.804 1.946 1.00 0.00 C ATOM 304 C ALA A 22 -5.181 -15.131 2.860 1.00 0.00 C ATOM 305 O ALA A 22 -5.057 -15.179 4.083 1.00 0.00 O ATOM 306 CB ALA A 22 -2.857 -16.041 2.691 1.00 0.00 C ATOM 0 H ALA A 22 -3.140 -14.359 0.823 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.572 -16.766 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.050 -16.637 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.160 -16.572 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.425 -15.083 2.981 1.00 0.00 H new ATOM 312 N GLN A 23 -6.186 -14.504 2.257 1.00 0.00 N ATOM 313 CA GLN A 23 -7.225 -13.819 3.018 1.00 0.00 C ATOM 314 C GLN A 23 -8.047 -14.813 3.832 1.00 0.00 C ATOM 315 O GLN A 23 -8.916 -14.423 4.614 1.00 0.00 O ATOM 316 CB GLN A 23 -8.139 -13.031 2.079 1.00 0.00 C ATOM 317 CG GLN A 23 -8.528 -13.796 0.824 1.00 0.00 C ATOM 318 CD GLN A 23 -7.791 -13.308 -0.408 1.00 0.00 C ATOM 319 OE1 GLN A 23 -6.978 -14.031 -0.986 1.00 0.00 O ATOM 320 NE2 GLN A 23 -8.072 -12.077 -0.818 1.00 0.00 N ATOM 0 H GLN A 23 -6.303 -14.456 1.245 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.740 -13.127 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.044 -12.750 2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.639 -12.106 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.321 -14.856 0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.602 -13.700 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.752 -11.513 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.608 -11.695 -1.642 1.00 0.00 H new ATOM 329 N LEU A 24 -7.769 -16.098 3.644 1.00 0.00 N ATOM 330 CA LEU A 24 -8.484 -17.149 4.360 1.00 0.00 C ATOM 331 C LEU A 24 -9.821 -17.451 3.692 1.00 0.00 C ATOM 332 O LEU A 24 -10.432 -18.489 3.946 1.00 0.00 O ATOM 333 CB LEU A 24 -8.709 -16.737 5.816 1.00 0.00 C ATOM 334 CG LEU A 24 -8.412 -17.806 6.869 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.371 -17.189 8.259 1.00 0.00 C ATOM 336 CD2 LEU A 24 -9.449 -18.918 6.808 1.00 0.00 C ATOM 0 H LEU A 24 -7.053 -16.438 3.002 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.875 -18.052 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.089 -15.866 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.747 -16.424 5.928 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.434 -18.237 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.159 -17.964 8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.591 -16.429 8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.335 -16.731 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.222 -19.669 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.439 -18.503 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.430 -19.379 5.821 1.00 0.00 H new ATOM 348 N SER A 25 -10.269 -16.538 2.836 1.00 0.00 N ATOM 349 CA SER A 25 -11.535 -16.706 2.133 1.00 0.00 C ATOM 350 C SER A 25 -11.379 -16.382 0.650 1.00 0.00 C ATOM 351 O SER A 25 -10.469 -15.654 0.254 1.00 0.00 O ATOM 352 CB SER A 25 -12.610 -15.810 2.752 1.00 0.00 C ATOM 353 OG SER A 25 -13.846 -16.494 2.854 1.00 0.00 O ATOM 0 H SER A 25 -9.774 -15.675 2.613 1.00 0.00 H new ATOM 0 HA SER A 25 -11.841 -17.748 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.289 -15.482 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.736 -14.914 2.144 1.00 0.00 H new ATOM 0 HG SER A 25 -14.516 -15.901 3.254 1.00 0.00 H new ATOM 359 N ARG A 26 -12.275 -16.928 -0.166 1.00 0.00 N ATOM 360 CA ARG A 26 -12.238 -16.699 -1.605 1.00 0.00 C ATOM 361 C ARG A 26 -13.638 -16.435 -2.150 1.00 0.00 C ATOM 362 O ARG A 26 -14.646 -16.780 -1.533 1.00 0.00 O ATOM 363 CB ARG A 26 -11.620 -17.903 -2.319 1.00 0.00 C ATOM 364 CG ARG A 26 -10.109 -17.818 -2.459 1.00 0.00 C ATOM 365 CD ARG A 26 -9.696 -17.563 -3.900 1.00 0.00 C ATOM 366 NE ARG A 26 -8.433 -18.217 -4.232 1.00 0.00 N ATOM 367 CZ ARG A 26 -8.003 -18.397 -5.476 1.00 0.00 C ATOM 368 NH1 ARG A 26 -8.731 -17.974 -6.500 1.00 0.00 N ATOM 369 NH2 ARG A 26 -6.842 -19.000 -5.697 1.00 0.00 N ATOM 0 H ARG A 26 -13.036 -17.532 0.145 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.622 -15.819 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.875 -18.810 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.064 -17.994 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.728 -17.019 -1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.657 -18.746 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.477 -17.922 -4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.603 -16.490 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.849 -18.554 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.624 -17.509 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.399 -18.113 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.279 -19.326 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.513 -19.138 -6.652 1.00 0.00 H new ATOM 383 N PRO A 27 -13.704 -15.808 -3.334 1.00 0.00 N ATOM 384 CA PRO A 27 -12.511 -15.392 -4.077 1.00 0.00 C ATOM 385 C PRO A 27 -11.777 -14.241 -3.398 1.00 0.00 C ATOM 386 O PRO A 27 -12.355 -13.511 -2.592 1.00 0.00 O ATOM 387 CB PRO A 27 -13.073 -14.944 -5.429 1.00 0.00 C ATOM 388 CG PRO A 27 -14.480 -14.548 -5.141 1.00 0.00 C ATOM 389 CD PRO A 27 -14.949 -15.456 -4.038 1.00 0.00 C ATOM 0 HA PRO A 27 -11.776 -16.194 -4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.503 -14.110 -5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.030 -15.749 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.537 -13.503 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.105 -14.656 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.656 -14.954 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.452 -16.339 -4.431 1.00 0.00 H new ATOM 397 N LYS A 28 -10.499 -14.083 -3.728 1.00 0.00 N ATOM 398 CA LYS A 28 -9.685 -13.020 -3.151 1.00 0.00 C ATOM 399 C LYS A 28 -10.512 -11.755 -2.940 1.00 0.00 C ATOM 400 O LYS A 28 -10.642 -10.928 -3.843 1.00 0.00 O ATOM 401 CB LYS A 28 -8.490 -12.716 -4.058 1.00 0.00 C ATOM 402 CG LYS A 28 -7.521 -13.876 -4.196 1.00 0.00 C ATOM 403 CD LYS A 28 -6.431 -13.575 -5.211 1.00 0.00 C ATOM 404 CE LYS A 28 -6.521 -14.498 -6.417 1.00 0.00 C ATOM 405 NZ LYS A 28 -7.227 -13.852 -7.558 1.00 0.00 N ATOM 0 H LYS A 28 -10.005 -14.678 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.321 -13.360 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.856 -12.440 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.955 -11.852 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.069 -14.090 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.064 -14.771 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.513 -12.538 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.454 -13.684 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.517 -14.788 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.044 -15.412 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.268 -14.513 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.193 -13.598 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.714 -12.993 -7.843 1.00 0.00 H new ATOM 419 N LYS A 29 -11.068 -11.611 -1.742 1.00 0.00 N ATOM 420 CA LYS A 29 -11.880 -10.446 -1.411 1.00 0.00 C ATOM 421 C LYS A 29 -11.023 -9.186 -1.344 1.00 0.00 C ATOM 422 O LYS A 29 -9.807 -9.260 -1.165 1.00 0.00 O ATOM 423 CB LYS A 29 -12.595 -10.660 -0.074 1.00 0.00 C ATOM 424 CG LYS A 29 -13.184 -12.051 0.084 1.00 0.00 C ATOM 425 CD LYS A 29 -13.943 -12.189 1.393 1.00 0.00 C ATOM 426 CE LYS A 29 -15.408 -11.815 1.231 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.236 -12.309 2.365 1.00 0.00 N ATOM 0 H LYS A 29 -10.971 -12.287 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.623 -10.318 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.891 -10.478 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.392 -9.923 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.854 -12.260 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.385 -12.792 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.866 -13.215 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.485 -11.551 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.500 -10.731 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.787 -12.230 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.228 -12.033 2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.169 -13.345 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.891 -11.894 3.254 1.00 0.00 H new ATOM 441 N SER A 30 -11.664 -8.031 -1.488 1.00 0.00 N ATOM 442 CA SER A 30 -10.959 -6.755 -1.447 1.00 0.00 C ATOM 443 C SER A 30 -10.879 -6.225 -0.019 1.00 0.00 C ATOM 444 O SER A 30 -11.890 -6.124 0.677 1.00 0.00 O ATOM 445 CB SER A 30 -11.660 -5.732 -2.344 1.00 0.00 C ATOM 446 OG SER A 30 -13.044 -6.014 -2.455 1.00 0.00 O ATOM 0 H SER A 30 -12.670 -7.952 -1.634 1.00 0.00 H new ATOM 0 HA SER A 30 -9.945 -6.916 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.521 -4.731 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.204 -5.739 -3.334 1.00 0.00 H new ATOM 0 HG SER A 30 -13.552 -5.376 -1.912 1.00 0.00 H new ATOM 452 N CYS A 31 -9.668 -5.887 0.413 1.00 0.00 N ATOM 453 CA CYS A 31 -9.452 -5.368 1.758 1.00 0.00 C ATOM 454 C CYS A 31 -10.627 -4.500 2.201 1.00 0.00 C ATOM 455 O CYS A 31 -11.002 -4.497 3.373 1.00 0.00 O ATOM 456 CB CYS A 31 -8.156 -4.557 1.812 1.00 0.00 C ATOM 457 SG CYS A 31 -7.887 -3.690 3.391 1.00 0.00 S ATOM 0 H CYS A 31 -8.821 -5.964 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.371 -6.215 2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.314 -5.225 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.164 -3.825 1.005 1.00 0.00 H new ATOM 462 N ASP A 32 -11.202 -3.766 1.255 1.00 0.00 N ATOM 463 CA ASP A 32 -12.335 -2.895 1.546 1.00 0.00 C ATOM 464 C ASP A 32 -12.102 -2.113 2.835 1.00 0.00 C ATOM 465 O ASP A 32 -12.377 -2.605 3.930 1.00 0.00 O ATOM 466 CB ASP A 32 -13.621 -3.716 1.659 1.00 0.00 C ATOM 467 CG ASP A 32 -14.303 -3.910 0.319 1.00 0.00 C ATOM 468 OD1 ASP A 32 -13.596 -3.924 -0.711 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.544 -4.048 0.300 1.00 0.00 O ATOM 0 H ASP A 32 -10.902 -3.757 0.280 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.437 -2.186 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.390 -4.690 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.307 -3.218 2.344 1.00 0.00 H new ATOM 474 N ARG A 33 -11.591 -0.894 2.697 1.00 0.00 N ATOM 475 CA ARG A 33 -11.319 -0.045 3.851 1.00 0.00 C ATOM 476 C ARG A 33 -11.840 1.371 3.619 1.00 0.00 C ATOM 477 O ARG A 33 -12.248 1.721 2.512 1.00 0.00 O ATOM 478 CB ARG A 33 -9.817 -0.006 4.138 1.00 0.00 C ATOM 479 CG ARG A 33 -9.460 -0.381 5.568 1.00 0.00 C ATOM 480 CD ARG A 33 -9.636 0.798 6.513 1.00 0.00 C ATOM 481 NE ARG A 33 -10.884 0.714 7.266 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.112 1.386 8.389 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.179 2.187 8.886 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.274 1.258 9.016 1.00 0.00 N ATOM 0 H ARG A 33 -11.357 -0.472 1.798 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.836 -0.468 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.307 -0.686 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.442 0.996 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.089 -1.209 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.428 -0.729 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.796 0.835 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.619 1.726 5.942 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.621 0.106 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.285 2.288 8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.356 2.702 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.994 0.643 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.448 1.774 9.878 1.00 0.00 H new ATOM 498 N THR A 34 -11.824 2.181 4.673 1.00 0.00 N ATOM 499 CA THR A 34 -12.296 3.557 4.586 1.00 0.00 C ATOM 500 C THR A 34 -11.444 4.487 5.442 1.00 0.00 C ATOM 501 O THR A 34 -11.445 4.392 6.670 1.00 0.00 O ATOM 502 CB THR A 34 -13.767 3.675 5.028 1.00 0.00 C ATOM 503 OG1 THR A 34 -13.961 2.994 6.273 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.697 3.093 3.975 1.00 0.00 C ATOM 0 H THR A 34 -11.489 1.908 5.597 1.00 0.00 H new ATOM 0 HA THR A 34 -12.213 3.853 3.540 1.00 0.00 H new ATOM 0 HB THR A 34 -14.002 4.732 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.212 3.191 6.874 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.730 3.188 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.568 3.633 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.460 2.040 3.822 1.00 0.00 H new ATOM 512 N PHE A 35 -10.716 5.385 4.787 1.00 0.00 N ATOM 513 CA PHE A 35 -9.858 6.333 5.490 1.00 0.00 C ATOM 514 C PHE A 35 -10.238 7.770 5.145 1.00 0.00 C ATOM 515 O PHE A 35 -10.748 8.045 4.059 1.00 0.00 O ATOM 516 CB PHE A 35 -8.391 6.083 5.136 1.00 0.00 C ATOM 517 CG PHE A 35 -8.027 4.627 5.080 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.666 3.944 6.231 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.045 3.940 3.877 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.331 2.604 6.183 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.712 2.600 3.823 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.353 1.932 4.977 1.00 0.00 C ATOM 0 H PHE A 35 -10.703 5.477 3.771 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.997 6.186 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.176 6.540 4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.758 6.579 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.646 4.465 7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.323 4.458 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.052 2.083 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.732 2.076 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.090 0.885 4.936 1.00 0.00 H new ATOM 532 N SER A 36 -9.988 8.682 6.079 1.00 0.00 N ATOM 533 CA SER A 36 -10.308 10.090 5.878 1.00 0.00 C ATOM 534 C SER A 36 -9.062 10.879 5.487 1.00 0.00 C ATOM 535 O SER A 36 -9.137 11.847 4.729 1.00 0.00 O ATOM 536 CB SER A 36 -10.923 10.682 7.147 1.00 0.00 C ATOM 537 OG SER A 36 -12.141 10.035 7.473 1.00 0.00 O ATOM 0 H SER A 36 -9.565 8.471 6.983 1.00 0.00 H new ATOM 0 HA SER A 36 -11.032 10.160 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.222 10.582 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.100 11.748 7.006 1.00 0.00 H new ATOM 0 HG SER A 36 -12.513 10.430 8.289 1.00 0.00 H new ATOM 543 N THR A 37 -7.914 10.460 6.012 1.00 0.00 N ATOM 544 CA THR A 37 -6.652 11.126 5.720 1.00 0.00 C ATOM 545 C THR A 37 -5.752 10.248 4.858 1.00 0.00 C ATOM 546 O THR A 37 -5.609 9.053 5.113 1.00 0.00 O ATOM 547 CB THR A 37 -5.901 11.498 7.013 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.928 10.397 7.929 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.521 12.723 7.667 1.00 0.00 C ATOM 0 H THR A 37 -7.833 9.662 6.642 1.00 0.00 H new ATOM 0 HA THR A 37 -6.895 12.038 5.174 1.00 0.00 H new ATOM 0 HB THR A 37 -4.868 11.729 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.447 10.641 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.973 12.966 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.472 13.567 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.562 12.516 7.914 1.00 0.00 H new ATOM 557 N MET A 38 -5.148 10.849 3.838 1.00 0.00 N ATOM 558 CA MET A 38 -4.261 10.120 2.939 1.00 0.00 C ATOM 559 C MET A 38 -3.193 9.365 3.724 1.00 0.00 C ATOM 560 O MET A 38 -2.788 8.266 3.342 1.00 0.00 O ATOM 561 CB MET A 38 -3.599 11.082 1.951 1.00 0.00 C ATOM 562 CG MET A 38 -3.422 10.497 0.559 1.00 0.00 C ATOM 563 SD MET A 38 -4.908 10.645 -0.451 1.00 0.00 S ATOM 564 CE MET A 38 -4.753 9.198 -1.495 1.00 0.00 C ATOM 0 H MET A 38 -5.257 11.838 3.614 1.00 0.00 H new ATOM 0 HA MET A 38 -4.860 9.397 2.385 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.200 11.989 1.881 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.624 11.375 2.340 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.596 11.003 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.148 9.445 0.643 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.572 9.178 -2.214 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.803 9.234 -2.029 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.789 8.299 -0.879 1.00 0.00 H new ATOM 574 N HIS A 39 -2.740 9.961 4.823 1.00 0.00 N ATOM 575 CA HIS A 39 -1.719 9.343 5.662 1.00 0.00 C ATOM 576 C HIS A 39 -2.141 7.941 6.090 1.00 0.00 C ATOM 577 O HIS A 39 -1.359 6.995 6.008 1.00 0.00 O ATOM 578 CB HIS A 39 -1.452 10.207 6.895 1.00 0.00 C ATOM 579 CG HIS A 39 0.000 10.501 7.118 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.949 9.516 7.294 1.00 0.00 N ATOM 581 CD2 HIS A 39 0.664 11.679 7.190 1.00 0.00 C ATOM 582 CE1 HIS A 39 2.134 10.076 7.467 1.00 0.00 C ATOM 583 NE2 HIS A 39 1.988 11.387 7.407 1.00 0.00 N ATOM 0 H HIS A 39 -3.064 10.870 5.153 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.803 9.264 5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.993 11.148 6.793 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.851 9.703 7.775 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.233 12.664 7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.063 9.551 7.630 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.737 12.072 7.506 1.00 0.00 H new ATOM 591 N GLU A 40 -3.384 7.816 6.546 1.00 0.00 N ATOM 592 CA GLU A 40 -3.909 6.529 6.988 1.00 0.00 C ATOM 593 C GLU A 40 -3.661 5.451 5.937 1.00 0.00 C ATOM 594 O GLU A 40 -2.900 4.509 6.164 1.00 0.00 O ATOM 595 CB GLU A 40 -5.407 6.638 7.280 1.00 0.00 C ATOM 596 CG GLU A 40 -5.726 7.431 8.536 1.00 0.00 C ATOM 597 CD GLU A 40 -5.999 6.543 9.734 1.00 0.00 C ATOM 598 OE1 GLU A 40 -6.332 5.357 9.528 1.00 0.00 O ATOM 599 OE2 GLU A 40 -5.881 7.033 10.876 1.00 0.00 O ATOM 0 H GLU A 40 -4.045 8.589 6.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.388 6.247 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.901 7.107 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.823 5.635 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.892 8.095 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.595 8.063 8.351 1.00 0.00 H new ATOM 606 N LEU A 41 -4.309 5.595 4.786 1.00 0.00 N ATOM 607 CA LEU A 41 -4.160 4.634 3.699 1.00 0.00 C ATOM 608 C LEU A 41 -2.712 4.172 3.575 1.00 0.00 C ATOM 609 O LEU A 41 -2.421 2.978 3.656 1.00 0.00 O ATOM 610 CB LEU A 41 -4.625 5.252 2.379 1.00 0.00 C ATOM 611 CG LEU A 41 -4.590 4.331 1.158 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.006 2.920 1.542 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.489 4.873 0.056 1.00 0.00 C ATOM 0 H LEU A 41 -4.942 6.368 4.582 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.780 3.767 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.646 5.612 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.004 6.123 2.170 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.568 4.296 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.975 2.279 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.322 2.532 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.019 2.936 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.452 4.206 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.514 4.938 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.146 5.865 -0.239 1.00 0.00 H new ATOM 625 N VAL A 42 -1.807 5.125 3.379 1.00 0.00 N ATOM 626 CA VAL A 42 -0.388 4.816 3.247 1.00 0.00 C ATOM 627 C VAL A 42 0.126 4.063 4.469 1.00 0.00 C ATOM 628 O VAL A 42 0.938 3.144 4.350 1.00 0.00 O ATOM 629 CB VAL A 42 0.449 6.095 3.056 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.924 5.751 2.913 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.044 6.879 1.849 1.00 0.00 C ATOM 0 H VAL A 42 -2.031 6.118 3.308 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.282 4.186 2.364 1.00 0.00 H new ATOM 0 HB VAL A 42 0.331 6.722 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.500 6.667 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.266 5.235 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.064 5.104 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.559 7.779 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.043 6.262 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.087 7.158 1.998 1.00 0.00 H new ATOM 641 N THR A 43 -0.351 4.458 5.645 1.00 0.00 N ATOM 642 CA THR A 43 0.060 3.820 6.890 1.00 0.00 C ATOM 643 C THR A 43 -0.665 2.495 7.095 1.00 0.00 C ATOM 644 O THR A 43 -0.261 1.677 7.922 1.00 0.00 O ATOM 645 CB THR A 43 -0.207 4.732 8.102 1.00 0.00 C ATOM 646 OG1 THR A 43 0.958 5.512 8.395 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.593 3.910 9.323 1.00 0.00 C ATOM 0 H THR A 43 -1.022 5.217 5.762 1.00 0.00 H new ATOM 0 HA THR A 43 1.131 3.635 6.812 1.00 0.00 H new ATOM 0 HB THR A 43 -1.035 5.396 7.853 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.779 6.090 9.166 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.777 4.576 10.166 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.497 3.340 9.107 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.217 3.225 9.571 1.00 0.00 H new ATOM 655 N HIS A 44 -1.738 2.289 6.337 1.00 0.00 N ATOM 656 CA HIS A 44 -2.519 1.062 6.436 1.00 0.00 C ATOM 657 C HIS A 44 -1.824 -0.084 5.705 1.00 0.00 C ATOM 658 O HIS A 44 -1.399 -1.060 6.323 1.00 0.00 O ATOM 659 CB HIS A 44 -3.919 1.275 5.859 1.00 0.00 C ATOM 660 CG HIS A 44 -4.645 0.000 5.562 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.700 -0.461 6.321 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.464 -0.914 4.579 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.135 -1.603 5.820 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.402 -1.900 4.762 1.00 0.00 N ATOM 0 H HIS A 44 -2.086 2.956 5.648 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.605 0.799 7.490 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.508 1.863 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.840 1.860 4.943 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -6.085 0.007 7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.720 -0.875 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.951 -2.194 6.209 1.00 0.00 H new ATOM 672 N VAL A 45 -1.714 0.042 4.387 1.00 0.00 N ATOM 673 CA VAL A 45 -1.071 -0.982 3.572 1.00 0.00 C ATOM 674 C VAL A 45 0.364 -1.225 4.025 1.00 0.00 C ATOM 675 O VAL A 45 1.002 -2.194 3.614 1.00 0.00 O ATOM 676 CB VAL A 45 -1.069 -0.594 2.082 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.500 -1.724 1.236 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.473 -0.230 1.624 1.00 0.00 C ATOM 0 H VAL A 45 -2.062 0.843 3.860 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.649 -1.897 3.701 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.431 0.281 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.507 -1.431 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.523 -1.932 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.109 -2.619 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.452 0.042 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.135 -1.084 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.839 0.614 2.209 1.00 0.00 H new ATOM 688 N THR A 46 0.868 -0.337 4.877 1.00 0.00 N ATOM 689 CA THR A 46 2.228 -0.453 5.387 1.00 0.00 C ATOM 690 C THR A 46 2.332 -1.560 6.429 1.00 0.00 C ATOM 691 O THR A 46 3.074 -2.525 6.251 1.00 0.00 O ATOM 692 CB THR A 46 2.709 0.871 6.010 1.00 0.00 C ATOM 693 OG1 THR A 46 3.208 1.741 4.989 1.00 0.00 O ATOM 694 CG2 THR A 46 3.797 0.618 7.044 1.00 0.00 C ATOM 0 H THR A 46 0.354 0.471 5.228 1.00 0.00 H new ATOM 0 HA THR A 46 2.865 -0.698 4.537 1.00 0.00 H new ATOM 0 HB THR A 46 1.861 1.343 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.465 2.244 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.121 1.567 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.405 -0.021 7.836 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.645 0.126 6.567 1.00 0.00 H new ATOM 702 N MET A 47 1.583 -1.415 7.517 1.00 0.00 N ATOM 703 CA MET A 47 1.590 -2.405 8.588 1.00 0.00 C ATOM 704 C MET A 47 0.476 -3.428 8.389 1.00 0.00 C ATOM 705 O MET A 47 0.700 -4.632 8.506 1.00 0.00 O ATOM 706 CB MET A 47 1.432 -1.719 9.946 1.00 0.00 C ATOM 707 CG MET A 47 0.027 -1.816 10.516 1.00 0.00 C ATOM 708 SD MET A 47 -0.118 -1.050 12.142 1.00 0.00 S ATOM 709 CE MET A 47 0.876 0.422 11.912 1.00 0.00 C ATOM 0 H MET A 47 0.963 -0.621 7.680 1.00 0.00 H new ATOM 0 HA MET A 47 2.547 -2.926 8.562 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.133 -2.164 10.652 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.703 -0.668 9.847 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.673 -1.339 9.830 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.261 -2.865 10.586 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.662 1.134 12.709 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.933 0.155 11.937 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.639 0.874 10.949 1.00 0.00 H new ATOM 719 N GLU A 48 -0.723 -2.940 8.088 1.00 0.00 N ATOM 720 CA GLU A 48 -1.871 -3.814 7.875 1.00 0.00 C ATOM 721 C GLU A 48 -1.550 -4.892 6.844 1.00 0.00 C ATOM 722 O GLU A 48 -1.964 -6.043 6.983 1.00 0.00 O ATOM 723 CB GLU A 48 -3.083 -2.999 7.418 1.00 0.00 C ATOM 724 CG GLU A 48 -3.362 -1.783 8.286 1.00 0.00 C ATOM 725 CD GLU A 48 -3.581 -2.144 9.742 1.00 0.00 C ATOM 726 OE1 GLU A 48 -4.361 -3.081 10.011 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.971 -1.489 10.613 1.00 0.00 O ATOM 0 H GLU A 48 -0.925 -1.945 7.986 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.106 -4.300 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.924 -2.672 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.963 -3.642 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.526 -1.087 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.243 -1.265 7.907 1.00 0.00 H new ATOM 734 N HIS A 49 -0.810 -4.510 5.808 1.00 0.00 N ATOM 735 CA HIS A 49 -0.433 -5.443 4.752 1.00 0.00 C ATOM 736 C HIS A 49 1.068 -5.715 4.778 1.00 0.00 C ATOM 737 O HIS A 49 1.516 -6.729 5.314 1.00 0.00 O ATOM 738 CB HIS A 49 -0.839 -4.891 3.386 1.00 0.00 C ATOM 739 CG HIS A 49 -2.321 -4.854 3.170 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.171 -5.845 3.615 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.104 -3.938 2.555 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.412 -5.540 3.281 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.399 -4.387 2.637 1.00 0.00 N ATOM 0 H HIS A 49 -0.460 -3.561 5.677 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.958 -6.382 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.439 -3.883 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.382 -5.501 2.607 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.886 -6.682 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.772 -3.023 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.288 -6.133 3.498 1.00 0.00 H new ATOM 751 N VAL A 50 1.840 -4.804 4.196 1.00 0.00 N ATOM 752 CA VAL A 50 3.291 -4.945 4.153 1.00 0.00 C ATOM 753 C VAL A 50 3.837 -5.420 5.495 1.00 0.00 C ATOM 754 O VAL A 50 4.921 -5.997 5.567 1.00 0.00 O ATOM 755 CB VAL A 50 3.973 -3.618 3.774 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.304 -3.476 4.497 1.00 0.00 C ATOM 757 CG2 VAL A 50 4.164 -3.528 2.268 1.00 0.00 C ATOM 0 H VAL A 50 1.485 -3.960 3.747 1.00 0.00 H new ATOM 0 HA VAL A 50 3.514 -5.690 3.389 1.00 0.00 H new ATOM 0 HB VAL A 50 3.328 -2.797 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.771 -2.532 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.137 -3.492 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.959 -4.302 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.647 -2.584 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.788 -4.355 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.194 -3.580 1.774 1.00 0.00 H new ATOM 767 N GLY A 51 3.076 -5.174 6.558 1.00 0.00 N ATOM 768 CA GLY A 51 3.500 -5.583 7.884 1.00 0.00 C ATOM 769 C GLY A 51 4.965 -5.288 8.141 1.00 0.00 C ATOM 770 O GLY A 51 5.712 -6.159 8.586 1.00 0.00 O ATOM 0 H GLY A 51 2.174 -4.699 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.893 -5.071 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.321 -6.651 8.006 1.00 0.00 H new ATOM 774 N GLY A 52 5.377 -4.056 7.860 1.00 0.00 N ATOM 775 CA GLY A 52 6.761 -3.671 8.069 1.00 0.00 C ATOM 776 C GLY A 52 7.731 -4.778 7.709 1.00 0.00 C ATOM 777 O GLY A 52 7.413 -5.687 6.941 1.00 0.00 O ATOM 0 H GLY A 52 4.778 -3.318 7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.984 -2.788 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.904 -3.392 9.113 1.00 0.00 H new ATOM 781 N PRO A 53 8.948 -4.709 8.270 1.00 0.00 N ATOM 782 CA PRO A 53 9.993 -5.706 8.017 1.00 0.00 C ATOM 783 C PRO A 53 9.671 -7.056 8.648 1.00 0.00 C ATOM 784 O PRO A 53 10.024 -8.103 8.107 1.00 0.00 O ATOM 785 CB PRO A 53 11.233 -5.092 8.672 1.00 0.00 C ATOM 786 CG PRO A 53 10.696 -4.189 9.728 1.00 0.00 C ATOM 787 CD PRO A 53 9.396 -3.654 9.194 1.00 0.00 C ATOM 0 HA PRO A 53 10.112 -5.911 6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.877 -5.861 9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.832 -4.541 7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.541 -4.729 10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.394 -3.379 9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.673 -3.485 9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.533 -2.702 8.681 1.00 0.00 H new ATOM 795 N GLU A 54 8.998 -7.024 9.794 1.00 0.00 N ATOM 796 CA GLU A 54 8.629 -8.247 10.497 1.00 0.00 C ATOM 797 C GLU A 54 7.835 -9.179 9.586 1.00 0.00 C ATOM 798 O GLU A 54 7.654 -10.357 9.893 1.00 0.00 O ATOM 799 CB GLU A 54 7.809 -7.916 11.746 1.00 0.00 C ATOM 800 CG GLU A 54 8.258 -8.671 12.986 1.00 0.00 C ATOM 801 CD GLU A 54 7.171 -8.762 14.039 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.183 -8.005 13.939 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.309 -9.590 14.963 1.00 0.00 O ATOM 0 H GLU A 54 8.697 -6.165 10.255 1.00 0.00 H new ATOM 0 HA GLU A 54 9.546 -8.754 10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.873 -6.845 11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.760 -8.142 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.569 -9.676 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.131 -8.176 13.412 1.00 0.00 H new ATOM 810 N GLN A 55 7.362 -8.642 8.466 1.00 0.00 N ATOM 811 CA GLN A 55 6.586 -9.426 7.512 1.00 0.00 C ATOM 812 C GLN A 55 7.492 -10.344 6.698 1.00 0.00 C ATOM 813 O GLN A 55 8.686 -10.085 6.552 1.00 0.00 O ATOM 814 CB GLN A 55 5.805 -8.501 6.577 1.00 0.00 C ATOM 815 CG GLN A 55 4.299 -8.701 6.642 1.00 0.00 C ATOM 816 CD GLN A 55 3.851 -9.981 5.964 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.091 -10.765 6.533 1.00 0.00 O ATOM 818 NE2 GLN A 55 4.319 -10.199 4.741 1.00 0.00 N ATOM 0 H GLN A 55 7.502 -7.668 8.197 1.00 0.00 H new ATOM 0 HA GLN A 55 5.883 -10.043 8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.037 -7.466 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.141 -8.665 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.983 -8.717 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.803 -7.852 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.947 -9.522 4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.051 -11.043 4.235 1.00 0.00 H new ATOM 827 N ASN A 56 6.915 -11.419 6.169 1.00 0.00 N ATOM 828 CA ASN A 56 7.671 -12.377 5.371 1.00 0.00 C ATOM 829 C ASN A 56 7.043 -12.549 3.991 1.00 0.00 C ATOM 830 O ASN A 56 5.940 -13.077 3.861 1.00 0.00 O ATOM 831 CB ASN A 56 7.738 -13.728 6.085 1.00 0.00 C ATOM 832 CG ASN A 56 8.450 -14.783 5.261 1.00 0.00 C ATOM 833 OD1 ASN A 56 8.100 -15.026 4.107 1.00 0.00 O ATOM 834 ND2 ASN A 56 9.456 -15.416 5.854 1.00 0.00 N ATOM 0 H ASN A 56 5.927 -11.648 6.279 1.00 0.00 H new ATOM 0 HA ASN A 56 8.682 -11.990 5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.253 -13.607 7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.727 -14.068 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.973 -16.137 5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.712 -15.181 6.813 1.00 0.00 H new ATOM 841 N ASN A 57 7.756 -12.101 2.962 1.00 0.00 N ATOM 842 CA ASN A 57 7.269 -12.205 1.592 1.00 0.00 C ATOM 843 C ASN A 57 6.220 -11.135 1.304 1.00 0.00 C ATOM 844 O ASN A 57 5.037 -11.316 1.596 1.00 0.00 O ATOM 845 CB ASN A 57 6.678 -13.595 1.343 1.00 0.00 C ATOM 846 CG ASN A 57 6.903 -14.072 -0.079 1.00 0.00 C ATOM 847 OD1 ASN A 57 5.955 -14.397 -0.794 1.00 0.00 O ATOM 848 ND2 ASN A 57 8.163 -14.117 -0.495 1.00 0.00 N ATOM 0 H ASN A 57 8.673 -11.663 3.052 1.00 0.00 H new ATOM 0 HA ASN A 57 8.113 -12.050 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.125 -14.307 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.608 -13.575 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.377 -14.431 -1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.917 -13.838 0.132 1.00 0.00 H new ATOM 855 N HIS A 58 6.661 -10.021 0.729 1.00 0.00 N ATOM 856 CA HIS A 58 5.760 -8.922 0.400 1.00 0.00 C ATOM 857 C HIS A 58 5.454 -8.900 -1.095 1.00 0.00 C ATOM 858 O HIS A 58 6.363 -8.909 -1.925 1.00 0.00 O ATOM 859 CB HIS A 58 6.373 -7.588 0.827 1.00 0.00 C ATOM 860 CG HIS A 58 7.378 -7.716 1.929 1.00 0.00 C ATOM 861 ND1 HIS A 58 7.166 -7.227 3.201 1.00 0.00 N ATOM 862 CD2 HIS A 58 8.607 -8.283 1.945 1.00 0.00 C ATOM 863 CE1 HIS A 58 8.222 -7.487 3.952 1.00 0.00 C ATOM 864 NE2 HIS A 58 9.111 -8.127 3.213 1.00 0.00 N ATOM 0 H HIS A 58 7.636 -9.855 0.481 1.00 0.00 H new ATOM 0 HA HIS A 58 4.827 -9.074 0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.850 -7.124 -0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.576 -6.918 1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.100 -8.768 1.115 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.338 -7.222 4.992 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.023 -8.452 3.532 1.00 0.00 H new ATOM 872 N VAL A 59 4.168 -8.870 -1.430 1.00 0.00 N ATOM 873 CA VAL A 59 3.742 -8.846 -2.824 1.00 0.00 C ATOM 874 C VAL A 59 2.644 -7.812 -3.045 1.00 0.00 C ATOM 875 O VAL A 59 1.578 -7.881 -2.432 1.00 0.00 O ATOM 876 CB VAL A 59 3.231 -10.226 -3.279 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.564 -10.126 -4.642 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.371 -11.233 -3.306 1.00 0.00 C ATOM 0 H VAL A 59 3.403 -8.862 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 59 4.616 -8.577 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 59 2.487 -10.573 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.209 -11.111 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.720 -9.438 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.284 -9.757 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.992 -12.203 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.140 -10.894 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.799 -11.325 -2.308 1.00 0.00 H new ATOM 888 N CYS A 60 2.911 -6.852 -3.925 1.00 0.00 N ATOM 889 CA CYS A 60 1.946 -5.802 -4.228 1.00 0.00 C ATOM 890 C CYS A 60 0.606 -6.400 -4.648 1.00 0.00 C ATOM 891 O CYS A 60 0.482 -6.973 -5.730 1.00 0.00 O ATOM 892 CB CYS A 60 2.481 -4.894 -5.337 1.00 0.00 C ATOM 893 SG CYS A 60 1.676 -3.262 -5.414 1.00 0.00 S ATOM 0 H CYS A 60 3.788 -6.780 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 60 1.794 -5.211 -3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.552 -4.753 -5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.353 -5.396 -6.296 1.00 0.00 H new ATOM 898 N TYR A 61 -0.394 -6.260 -3.785 1.00 0.00 N ATOM 899 CA TYR A 61 -1.724 -6.788 -4.064 1.00 0.00 C ATOM 900 C TYR A 61 -2.723 -5.656 -4.286 1.00 0.00 C ATOM 901 O TYR A 61 -3.019 -4.886 -3.372 1.00 0.00 O ATOM 902 CB TYR A 61 -2.194 -7.680 -2.914 1.00 0.00 C ATOM 903 CG TYR A 61 -1.661 -9.092 -2.986 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.109 -9.976 -3.960 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.709 -9.544 -2.080 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.625 -11.268 -4.030 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.218 -10.834 -2.143 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.679 -11.692 -3.120 1.00 0.00 C ATOM 909 OH TYR A 61 -0.194 -12.978 -3.185 1.00 0.00 O ATOM 0 H TYR A 61 -0.309 -5.785 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.667 -7.383 -4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.886 -7.232 -1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.284 -7.712 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.849 -9.647 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.347 -8.875 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.985 -11.942 -4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.522 -11.169 -1.432 1.00 0.00 H new ATOM 0 HH TYR A 61 0.466 -13.115 -2.473 1.00 0.00 H new ATOM 919 N TRP A 62 -3.240 -5.563 -5.506 1.00 0.00 N ATOM 920 CA TRP A 62 -4.207 -4.526 -5.849 1.00 0.00 C ATOM 921 C TRP A 62 -5.190 -5.026 -6.901 1.00 0.00 C ATOM 922 O TRP A 62 -4.979 -6.073 -7.513 1.00 0.00 O ATOM 923 CB TRP A 62 -3.486 -3.277 -6.359 1.00 0.00 C ATOM 924 CG TRP A 62 -4.218 -2.004 -6.057 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.757 -1.134 -6.961 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.489 -1.459 -4.761 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.346 -0.080 -6.306 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.197 -0.256 -4.956 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.204 -1.869 -3.456 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.621 0.537 -3.893 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.626 -1.081 -2.403 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.329 0.111 -2.626 1.00 0.00 C ATOM 0 H TRP A 62 -3.006 -6.192 -6.274 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.766 -4.272 -4.948 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.493 -3.232 -5.912 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.347 -3.361 -7.437 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.725 -1.257 -8.034 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.818 0.706 -6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.663 -2.786 -3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.162 1.456 -4.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.411 -1.389 -1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.646 0.705 -1.781 1.00 0.00 H new ATOM 943 N GLU A 63 -6.265 -4.271 -7.107 1.00 0.00 N ATOM 944 CA GLU A 63 -7.281 -4.640 -8.085 1.00 0.00 C ATOM 945 C GLU A 63 -6.835 -4.271 -9.498 1.00 0.00 C ATOM 946 O GLU A 63 -7.236 -4.907 -10.472 1.00 0.00 O ATOM 947 CB GLU A 63 -8.608 -3.950 -7.761 1.00 0.00 C ATOM 948 CG GLU A 63 -9.564 -3.885 -8.940 1.00 0.00 C ATOM 949 CD GLU A 63 -11.008 -4.105 -8.532 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.247 -4.896 -7.596 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.899 -3.485 -9.150 1.00 0.00 O ATOM 0 H GLU A 63 -6.454 -3.401 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.420 -5.720 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.092 -4.479 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.406 -2.937 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.471 -2.913 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.279 -4.637 -9.676 1.00 0.00 H new ATOM 958 N GLU A 64 -6.004 -3.239 -9.599 1.00 0.00 N ATOM 959 CA GLU A 64 -5.505 -2.784 -10.892 1.00 0.00 C ATOM 960 C GLU A 64 -4.058 -2.312 -10.781 1.00 0.00 C ATOM 961 O GLU A 64 -3.768 -1.125 -10.929 1.00 0.00 O ATOM 962 CB GLU A 64 -6.382 -1.654 -11.433 1.00 0.00 C ATOM 963 CG GLU A 64 -7.627 -2.141 -12.155 1.00 0.00 C ATOM 964 CD GLU A 64 -7.940 -1.324 -13.394 1.00 0.00 C ATOM 965 OE1 GLU A 64 -8.185 -0.107 -13.254 1.00 0.00 O ATOM 966 OE2 GLU A 64 -7.942 -1.900 -14.501 1.00 0.00 O ATOM 0 H GLU A 64 -5.662 -2.702 -8.802 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.542 -3.625 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.681 -1.010 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.792 -1.043 -12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.494 -3.185 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.477 -2.101 -11.474 1.00 0.00 H new ATOM 973 N CYS A 65 -3.154 -3.250 -10.519 1.00 0.00 N ATOM 974 CA CYS A 65 -1.738 -2.932 -10.387 1.00 0.00 C ATOM 975 C CYS A 65 -0.945 -3.479 -11.571 1.00 0.00 C ATOM 976 O CYS A 65 -1.233 -4.552 -12.100 1.00 0.00 O ATOM 977 CB CYS A 65 -1.184 -3.505 -9.080 1.00 0.00 C ATOM 978 SG CYS A 65 0.614 -3.797 -9.099 1.00 0.00 S ATOM 0 H CYS A 65 -3.378 -4.237 -10.394 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.635 -1.847 -10.373 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.421 -2.820 -8.266 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.692 -4.445 -8.864 1.00 0.00 H new ATOM 983 N PRO A 66 0.079 -2.724 -11.996 1.00 0.00 N ATOM 984 CA PRO A 66 0.935 -3.113 -13.121 1.00 0.00 C ATOM 985 C PRO A 66 1.825 -4.305 -12.787 1.00 0.00 C ATOM 986 O PRO A 66 1.986 -5.218 -13.597 1.00 0.00 O ATOM 987 CB PRO A 66 1.785 -1.864 -13.368 1.00 0.00 C ATOM 988 CG PRO A 66 1.810 -1.157 -12.056 1.00 0.00 C ATOM 989 CD PRO A 66 0.480 -1.433 -11.412 1.00 0.00 C ATOM 0 HA PRO A 66 0.352 -3.427 -13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.791 -2.128 -13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.351 -1.237 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.628 -1.519 -11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.963 -0.086 -12.192 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.564 -1.492 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.244 -0.649 -11.634 1.00 0.00 H new ATOM 997 N ARG A 67 2.400 -4.291 -11.589 1.00 0.00 N ATOM 998 CA ARG A 67 3.275 -5.371 -11.149 1.00 0.00 C ATOM 999 C ARG A 67 2.472 -6.636 -10.858 1.00 0.00 C ATOM 1000 O ARG A 67 3.033 -7.725 -10.745 1.00 0.00 O ATOM 1001 CB ARG A 67 4.053 -4.950 -9.901 1.00 0.00 C ATOM 1002 CG ARG A 67 4.193 -3.444 -9.751 1.00 0.00 C ATOM 1003 CD ARG A 67 5.556 -3.064 -9.193 1.00 0.00 C ATOM 1004 NE ARG A 67 6.619 -3.236 -10.180 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.804 -2.418 -11.210 1.00 0.00 C ATOM 1006 NH1 ARG A 67 6.002 -1.378 -11.387 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.793 -2.641 -12.066 1.00 0.00 N ATOM 0 H ARG A 67 2.276 -3.544 -10.906 1.00 0.00 H new ATOM 0 HA ARG A 67 3.980 -5.585 -11.953 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.553 -5.350 -9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.046 -5.397 -9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.049 -2.966 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.411 -3.069 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.535 -2.026 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.772 -3.675 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 67 7.254 -4.027 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.240 -1.204 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.146 -0.752 -12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.412 -3.441 -11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.935 -2.012 -12.857 1.00 0.00 H new ATOM 1021 N GLU A 68 1.157 -6.481 -10.736 1.00 0.00 N ATOM 1022 CA GLU A 68 0.279 -7.611 -10.457 1.00 0.00 C ATOM 1023 C GLU A 68 0.822 -8.450 -9.304 1.00 0.00 C ATOM 1024 O GLU A 68 0.468 -9.619 -9.152 1.00 0.00 O ATOM 1025 CB GLU A 68 0.118 -8.482 -11.705 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.166 -7.688 -12.969 1.00 0.00 C ATOM 1027 CD GLU A 68 -0.383 -8.575 -14.179 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.444 -9.230 -14.253 1.00 0.00 O ATOM 1029 OE2 GLU A 68 0.508 -8.614 -15.053 1.00 0.00 O ATOM 0 H GLU A 68 0.677 -5.585 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.696 -7.218 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.027 -9.066 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.694 -9.191 -11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.050 -7.069 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.667 -7.012 -13.164 1.00 0.00 H new ATOM 1036 N GLY A 69 1.685 -7.845 -8.494 1.00 0.00 N ATOM 1037 CA GLY A 69 2.264 -8.551 -7.366 1.00 0.00 C ATOM 1038 C GLY A 69 3.569 -9.237 -7.719 1.00 0.00 C ATOM 1039 O GLY A 69 3.837 -10.349 -7.265 1.00 0.00 O ATOM 0 H GLY A 69 1.994 -6.878 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.436 -7.848 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.554 -9.293 -7.003 1.00 0.00 H new ATOM 1043 N LYS A 70 4.383 -8.573 -8.533 1.00 0.00 N ATOM 1044 CA LYS A 70 5.667 -9.125 -8.948 1.00 0.00 C ATOM 1045 C LYS A 70 6.460 -9.624 -7.744 1.00 0.00 C ATOM 1046 O LYS A 70 7.368 -10.444 -7.883 1.00 0.00 O ATOM 1047 CB LYS A 70 6.478 -8.070 -9.705 1.00 0.00 C ATOM 1048 CG LYS A 70 6.998 -8.551 -11.048 1.00 0.00 C ATOM 1049 CD LYS A 70 7.957 -7.548 -11.667 1.00 0.00 C ATOM 1050 CE LYS A 70 7.817 -7.503 -13.181 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.456 -6.290 -13.761 1.00 0.00 N ATOM 0 H LYS A 70 4.176 -7.652 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 70 5.474 -9.970 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.856 -7.188 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.322 -7.761 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.503 -9.509 -10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.160 -8.720 -11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.766 -6.558 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.981 -7.812 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.270 -8.395 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.761 -7.520 -13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.339 -6.296 -14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.007 -5.439 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.469 -6.286 -13.527 1.00 0.00 H new ATOM 1065 N SER A 71 6.110 -9.125 -6.563 1.00 0.00 N ATOM 1066 CA SER A 71 6.791 -9.518 -5.335 1.00 0.00 C ATOM 1067 C SER A 71 8.075 -8.717 -5.145 1.00 0.00 C ATOM 1068 O SER A 71 8.828 -8.945 -4.198 1.00 0.00 O ATOM 1069 CB SER A 71 7.108 -11.014 -5.360 1.00 0.00 C ATOM 1070 OG SER A 71 7.213 -11.535 -4.046 1.00 0.00 O ATOM 0 H SER A 71 5.359 -8.448 -6.431 1.00 0.00 H new ATOM 0 HA SER A 71 6.126 -9.308 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.327 -11.545 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.041 -11.182 -5.897 1.00 0.00 H new ATOM 0 HG SER A 71 7.776 -10.944 -3.504 1.00 0.00 H new ATOM 1076 N PHE A 72 8.319 -7.778 -6.054 1.00 0.00 N ATOM 1077 CA PHE A 72 9.513 -6.943 -5.988 1.00 0.00 C ATOM 1078 C PHE A 72 10.725 -7.760 -5.548 1.00 0.00 C ATOM 1079 O PHE A 72 11.398 -8.385 -6.367 1.00 0.00 O ATOM 1080 CB PHE A 72 9.293 -5.776 -5.024 1.00 0.00 C ATOM 1081 CG PHE A 72 8.517 -4.639 -5.626 1.00 0.00 C ATOM 1082 CD1 PHE A 72 9.157 -3.673 -6.386 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.149 -4.538 -5.434 1.00 0.00 C ATOM 1084 CE1 PHE A 72 8.446 -2.625 -6.940 1.00 0.00 C ATOM 1085 CE2 PHE A 72 6.433 -3.493 -5.987 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.082 -2.536 -6.742 1.00 0.00 C ATOM 0 H PHE A 72 7.706 -7.577 -6.844 1.00 0.00 H new ATOM 0 HA PHE A 72 9.706 -6.549 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.765 -6.138 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.261 -5.406 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.223 -3.740 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.636 -5.284 -4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.957 -1.876 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.367 -3.425 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.524 -1.720 -7.177 1.00 0.00 H new ATOM 1096 N LYS A 73 10.997 -7.749 -4.247 1.00 0.00 N ATOM 1097 CA LYS A 73 12.126 -8.488 -3.695 1.00 0.00 C ATOM 1098 C LYS A 73 12.416 -8.048 -2.263 1.00 0.00 C ATOM 1099 O LYS A 73 12.786 -8.861 -1.417 1.00 0.00 O ATOM 1100 CB LYS A 73 13.369 -8.285 -4.564 1.00 0.00 C ATOM 1101 CG LYS A 73 13.792 -9.532 -5.320 1.00 0.00 C ATOM 1102 CD LYS A 73 14.317 -10.604 -4.379 1.00 0.00 C ATOM 1103 CE LYS A 73 13.956 -11.999 -4.866 1.00 0.00 C ATOM 1104 NZ LYS A 73 15.023 -12.579 -5.727 1.00 0.00 N ATOM 0 H LYS A 73 10.450 -7.236 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 73 11.866 -9.546 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.176 -7.485 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.194 -7.956 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.944 -9.923 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.563 -9.274 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.400 -10.516 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.905 -10.448 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.787 -12.651 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.021 -11.958 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.739 -13.530 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.167 -11.971 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.909 -12.642 -5.186 1.00 0.00 H new ATOM 1118 N ALA A 74 12.244 -6.757 -2.000 1.00 0.00 N ATOM 1119 CA ALA A 74 12.484 -6.210 -0.670 1.00 0.00 C ATOM 1120 C ALA A 74 11.172 -5.890 0.037 1.00 0.00 C ATOM 1121 O ALA A 74 10.090 -6.127 -0.501 1.00 0.00 O ATOM 1122 CB ALA A 74 13.355 -4.966 -0.760 1.00 0.00 C ATOM 0 H ALA A 74 11.939 -6.070 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 74 13.008 -6.965 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.526 -4.568 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.311 -5.223 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.853 -4.214 -1.369 1.00 0.00 H new ATOM 1128 N LYS A 75 11.273 -5.352 1.248 1.00 0.00 N ATOM 1129 CA LYS A 75 10.095 -4.998 2.030 1.00 0.00 C ATOM 1130 C LYS A 75 9.695 -3.547 1.785 1.00 0.00 C ATOM 1131 O LYS A 75 8.509 -3.218 1.747 1.00 0.00 O ATOM 1132 CB LYS A 75 10.361 -5.221 3.520 1.00 0.00 C ATOM 1133 CG LYS A 75 11.656 -4.595 4.007 1.00 0.00 C ATOM 1134 CD LYS A 75 11.425 -3.701 5.214 1.00 0.00 C ATOM 1135 CE LYS A 75 10.319 -2.689 4.955 1.00 0.00 C ATOM 1136 NZ LYS A 75 9.039 -3.089 5.601 1.00 0.00 N ATOM 0 H LYS A 75 12.160 -5.152 1.709 1.00 0.00 H new ATOM 0 HA LYS A 75 9.273 -5.641 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.530 -4.810 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.388 -6.292 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.366 -5.381 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.105 -4.012 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.164 -4.313 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.348 -3.177 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.625 -1.712 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.167 -2.585 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.240 -2.741 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.992 -4.126 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.990 -2.680 6.556 1.00 0.00 H new ATOM 1150 N TYR A 76 10.690 -2.683 1.619 1.00 0.00 N ATOM 1151 CA TYR A 76 10.442 -1.267 1.378 1.00 0.00 C ATOM 1152 C TYR A 76 10.006 -1.027 -0.064 1.00 0.00 C ATOM 1153 O TYR A 76 9.001 -0.363 -0.320 1.00 0.00 O ATOM 1154 CB TYR A 76 11.696 -0.448 1.687 1.00 0.00 C ATOM 1155 CG TYR A 76 12.818 -0.663 0.696 1.00 0.00 C ATOM 1156 CD1 TYR A 76 12.831 0.003 -0.524 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.864 -1.532 0.979 1.00 0.00 C ATOM 1158 CE1 TYR A 76 13.854 -0.191 -1.432 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.892 -1.731 0.077 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.882 -1.058 -1.127 1.00 0.00 C ATOM 1161 OH TYR A 76 15.903 -1.254 -2.029 1.00 0.00 O ATOM 0 H TYR A 76 11.677 -2.939 1.647 1.00 0.00 H new ATOM 0 HA TYR A 76 9.636 -0.948 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.434 0.610 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.050 -0.704 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 76 12.028 0.683 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.874 -2.061 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 76 13.849 0.334 -2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.698 -2.409 0.313 1.00 0.00 H new ATOM 0 HH TYR A 76 16.547 -1.894 -1.660 1.00 0.00 H new ATOM 1171 N LYS A 77 10.769 -1.574 -1.004 1.00 0.00 N ATOM 1172 CA LYS A 77 10.464 -1.423 -2.422 1.00 0.00 C ATOM 1173 C LYS A 77 8.959 -1.476 -2.663 1.00 0.00 C ATOM 1174 O LYS A 77 8.435 -0.790 -3.542 1.00 0.00 O ATOM 1175 CB LYS A 77 11.160 -2.517 -3.234 1.00 0.00 C ATOM 1176 CG LYS A 77 12.571 -2.152 -3.662 1.00 0.00 C ATOM 1177 CD LYS A 77 12.924 -2.770 -5.005 1.00 0.00 C ATOM 1178 CE LYS A 77 14.284 -2.297 -5.496 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.289 -0.839 -5.795 1.00 0.00 N ATOM 0 H LYS A 77 11.604 -2.126 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 77 10.832 -0.449 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.194 -3.431 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.565 -2.734 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.664 -1.068 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.280 -2.491 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.925 -3.856 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.161 -2.510 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.039 -2.515 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.560 -2.853 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.123 -0.606 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.426 -0.589 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.322 -0.302 -4.905 1.00 0.00 H new ATOM 1193 N LEU A 78 8.267 -2.294 -1.877 1.00 0.00 N ATOM 1194 CA LEU A 78 6.821 -2.436 -2.003 1.00 0.00 C ATOM 1195 C LEU A 78 6.107 -1.169 -1.542 1.00 0.00 C ATOM 1196 O LEU A 78 5.422 -0.510 -2.325 1.00 0.00 O ATOM 1197 CB LEU A 78 6.333 -3.635 -1.189 1.00 0.00 C ATOM 1198 CG LEU A 78 4.900 -4.093 -1.462 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.531 -3.853 -2.918 1.00 0.00 C ATOM 1200 CD2 LEU A 78 4.732 -5.562 -1.103 1.00 0.00 C ATOM 0 H LEU A 78 8.685 -2.869 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 78 6.588 -2.600 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.003 -4.474 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.419 -3.389 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 78 4.227 -3.507 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.508 -4.185 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.611 -2.789 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.209 -4.412 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.706 -5.871 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.416 -6.163 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.954 -5.706 -0.046 1.00 0.00 H new ATOM 1212 N VAL A 79 6.274 -0.832 -0.267 1.00 0.00 N ATOM 1213 CA VAL A 79 5.649 0.358 0.298 1.00 0.00 C ATOM 1214 C VAL A 79 5.954 1.591 -0.545 1.00 0.00 C ATOM 1215 O VAL A 79 5.236 2.589 -0.485 1.00 0.00 O ATOM 1216 CB VAL A 79 6.121 0.607 1.742 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.961 2.075 2.110 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.356 -0.280 2.713 1.00 0.00 C ATOM 0 H VAL A 79 6.837 -1.367 0.394 1.00 0.00 H new ATOM 0 HA VAL A 79 4.574 0.180 0.301 1.00 0.00 H new ATOM 0 HB VAL A 79 7.179 0.353 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.300 2.232 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.557 2.687 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.912 2.359 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.703 -0.091 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.291 -0.059 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.526 -1.327 2.461 1.00 0.00 H new ATOM 1228 N ASN A 80 7.022 1.515 -1.331 1.00 0.00 N ATOM 1229 CA ASN A 80 7.423 2.626 -2.187 1.00 0.00 C ATOM 1230 C ASN A 80 6.519 2.721 -3.413 1.00 0.00 C ATOM 1231 O ASN A 80 6.063 3.805 -3.779 1.00 0.00 O ATOM 1232 CB ASN A 80 8.879 2.460 -2.626 1.00 0.00 C ATOM 1233 CG ASN A 80 9.053 2.613 -4.124 1.00 0.00 C ATOM 1234 OD1 ASN A 80 8.770 3.670 -4.688 1.00 0.00 O ATOM 1235 ND2 ASN A 80 9.520 1.555 -4.777 1.00 0.00 N ATOM 0 H ASN A 80 7.626 0.696 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 80 7.327 3.547 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.496 3.198 -2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.238 1.477 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.657 1.599 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.741 0.699 -4.269 1.00 0.00 H new ATOM 1242 N HIS A 81 6.263 1.579 -4.043 1.00 0.00 N ATOM 1243 CA HIS A 81 5.412 1.533 -5.227 1.00 0.00 C ATOM 1244 C HIS A 81 3.938 1.570 -4.838 1.00 0.00 C ATOM 1245 O HIS A 81 3.088 1.982 -5.629 1.00 0.00 O ATOM 1246 CB HIS A 81 5.705 0.274 -6.043 1.00 0.00 C ATOM 1247 CG HIS A 81 4.574 -0.140 -6.934 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.111 0.639 -7.973 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.814 -1.259 -6.937 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.113 0.018 -8.575 1.00 0.00 C ATOM 1251 NE2 HIS A 81 2.913 -1.137 -7.966 1.00 0.00 N ATOM 0 H HIS A 81 6.632 0.673 -3.754 1.00 0.00 H new ATOM 0 HA HIS A 81 5.631 2.410 -5.836 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.593 0.444 -6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.938 -0.544 -5.362 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.481 1.552 -8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.900 -2.093 -6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.555 0.391 -9.421 1.00 0.00 H new ATOM 1259 N ILE A 82 3.641 1.137 -3.618 1.00 0.00 N ATOM 1260 CA ILE A 82 2.270 1.121 -3.125 1.00 0.00 C ATOM 1261 C ILE A 82 1.637 2.506 -3.217 1.00 0.00 C ATOM 1262 O ILE A 82 0.477 2.644 -3.606 1.00 0.00 O ATOM 1263 CB ILE A 82 2.201 0.634 -1.666 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.418 -0.880 -1.600 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.865 1.011 -1.043 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.690 -1.391 -0.203 1.00 0.00 C ATOM 0 H ILE A 82 4.332 0.792 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 82 1.716 0.427 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 82 2.994 1.121 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.536 -1.383 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.255 -1.147 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.832 0.660 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.748 2.095 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.056 0.549 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.834 -2.471 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.589 -0.916 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.844 -1.155 0.442 1.00 0.00 H new ATOM 1278 N ARG A 83 2.407 3.527 -2.858 1.00 0.00 N ATOM 1279 CA ARG A 83 1.922 4.902 -2.901 1.00 0.00 C ATOM 1280 C ARG A 83 1.189 5.179 -4.210 1.00 0.00 C ATOM 1281 O ARG A 83 0.087 5.727 -4.213 1.00 0.00 O ATOM 1282 CB ARG A 83 3.085 5.881 -2.737 1.00 0.00 C ATOM 1283 CG ARG A 83 4.047 5.504 -1.622 1.00 0.00 C ATOM 1284 CD ARG A 83 5.038 6.623 -1.339 1.00 0.00 C ATOM 1285 NE ARG A 83 4.670 7.394 -0.155 1.00 0.00 N ATOM 1286 CZ ARG A 83 5.529 8.134 0.536 1.00 0.00 C ATOM 1287 NH1 ARG A 83 6.800 8.204 0.162 1.00 0.00 N ATOM 1288 NH2 ARG A 83 5.119 8.808 1.603 1.00 0.00 N ATOM 0 H ARG A 83 3.369 3.429 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 83 1.222 5.040 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.635 5.938 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.686 6.876 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.485 5.277 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.588 4.599 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.033 6.200 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.091 7.287 -2.202 1.00 0.00 H new ATOM 0 HE ARG A 83 3.700 7.362 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.119 7.689 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.458 8.773 0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.143 8.758 1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.780 9.376 2.133 1.00 0.00 H new ATOM 1302 N VAL A 84 1.809 4.797 -5.322 1.00 0.00 N ATOM 1303 CA VAL A 84 1.216 5.004 -6.638 1.00 0.00 C ATOM 1304 C VAL A 84 -0.249 4.585 -6.652 1.00 0.00 C ATOM 1305 O VAL A 84 -1.072 5.188 -7.342 1.00 0.00 O ATOM 1306 CB VAL A 84 1.975 4.219 -7.725 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.393 2.822 -7.878 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.936 4.969 -9.048 1.00 0.00 C ATOM 0 H VAL A 84 2.722 4.342 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 84 1.287 6.070 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 84 3.017 4.122 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.941 2.282 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.477 2.287 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.343 2.894 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.477 4.401 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.900 5.098 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.403 5.946 -8.926 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.570 3.547 -5.886 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.938 3.047 -5.809 1.00 0.00 C ATOM 1320 C HIS A 85 -2.773 3.894 -4.854 1.00 0.00 C ATOM 1321 O HIS A 85 -3.894 4.289 -5.176 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.945 1.587 -5.354 1.00 0.00 C ATOM 1323 CG HIS A 85 -1.144 0.681 -6.237 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.786 1.010 -7.528 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.629 -0.550 -6.008 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.088 0.020 -8.055 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.022 -0.938 -7.153 1.00 0.00 N ATOM 0 H HIS A 85 0.099 3.036 -5.310 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.379 3.112 -6.804 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.554 1.530 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.975 1.231 -5.320 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -1.023 1.882 -8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.714 -1.120 -5.095 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.323 -0.002 -9.054 1.00 0.00 H new ATOM 1335 N THR A 86 -2.220 4.169 -3.677 1.00 0.00 N ATOM 1336 CA THR A 86 -2.915 4.967 -2.674 1.00 0.00 C ATOM 1337 C THR A 86 -3.332 6.320 -3.240 1.00 0.00 C ATOM 1338 O THR A 86 -4.358 6.876 -2.852 1.00 0.00 O ATOM 1339 CB THR A 86 -2.037 5.194 -1.429 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.875 5.954 -1.781 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.614 3.867 -0.817 1.00 0.00 C ATOM 0 H THR A 86 -1.293 3.851 -3.395 1.00 0.00 H new ATOM 0 HA THR A 86 -3.804 4.406 -2.386 1.00 0.00 H new ATOM 0 HB THR A 86 -2.623 5.746 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.753 5.934 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.995 4.052 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.499 3.303 -0.524 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.044 3.294 -1.549 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.529 6.844 -4.162 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.833 8.127 -4.767 1.00 0.00 C ATOM 1351 C GLY A 87 -2.062 9.266 -4.130 1.00 0.00 C ATOM 1352 O GLY A 87 -2.149 10.409 -4.578 1.00 0.00 O ATOM 0 H GLY A 87 -1.674 6.403 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.602 8.087 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.902 8.322 -4.680 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.306 8.953 -3.082 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.519 9.961 -2.381 1.00 0.00 C ATOM 1358 C GLU A 88 0.717 10.345 -3.190 1.00 0.00 C ATOM 1359 O GLU A 88 0.720 10.260 -4.419 1.00 0.00 O ATOM 1360 CB GLU A 88 -0.099 9.445 -1.003 1.00 0.00 C ATOM 1361 CG GLU A 88 -0.053 10.526 0.063 1.00 0.00 C ATOM 1362 CD GLU A 88 1.272 10.562 0.800 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.986 9.538 0.789 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.595 11.616 1.387 1.00 0.00 O ATOM 0 H GLU A 88 -1.222 8.011 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.141 10.848 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.794 8.666 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.885 8.982 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.233 11.496 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.858 10.360 0.779 1.00 0.00 H new ATOM 1371 N LYS A 89 1.765 10.769 -2.493 1.00 0.00 N ATOM 1372 CA LYS A 89 3.008 11.166 -3.143 1.00 0.00 C ATOM 1373 C LYS A 89 3.881 9.950 -3.437 1.00 0.00 C ATOM 1374 O LYS A 89 3.487 8.813 -3.176 1.00 0.00 O ATOM 1375 CB LYS A 89 3.774 12.157 -2.264 1.00 0.00 C ATOM 1376 CG LYS A 89 4.313 11.543 -0.983 1.00 0.00 C ATOM 1377 CD LYS A 89 5.115 12.551 -0.177 1.00 0.00 C ATOM 1378 CE LYS A 89 4.904 12.364 1.317 1.00 0.00 C ATOM 1379 NZ LYS A 89 6.154 12.608 2.089 1.00 0.00 N ATOM 0 H LYS A 89 1.778 10.847 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 89 2.757 11.648 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.604 12.571 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.116 12.988 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.485 11.170 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.942 10.686 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.174 12.446 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.824 13.562 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.126 13.045 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.550 11.351 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.968 12.470 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.890 11.942 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.478 13.583 1.926 1.00 0.00 H new ATOM 1393 N SER A 90 5.069 10.197 -3.980 1.00 0.00 N ATOM 1394 CA SER A 90 5.997 9.122 -4.311 1.00 0.00 C ATOM 1395 C SER A 90 7.095 9.009 -3.257 1.00 0.00 C ATOM 1396 O SER A 90 7.093 9.732 -2.262 1.00 0.00 O ATOM 1397 CB SER A 90 6.620 9.363 -5.687 1.00 0.00 C ATOM 1398 OG SER A 90 7.471 10.496 -5.671 1.00 0.00 O ATOM 0 H SER A 90 5.411 11.132 -4.200 1.00 0.00 H new ATOM 0 HA SER A 90 5.438 8.186 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.187 8.483 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.832 9.507 -6.426 1.00 0.00 H new ATOM 0 HG SER A 90 7.858 10.627 -6.562 1.00 0.00 H new ATOM 1404 N GLY A 91 8.032 8.093 -3.484 1.00 0.00 N ATOM 1405 CA GLY A 91 9.122 7.899 -2.546 1.00 0.00 C ATOM 1406 C GLY A 91 10.474 8.208 -3.158 1.00 0.00 C ATOM 1407 O GLY A 91 10.631 8.256 -4.378 1.00 0.00 O ATOM 0 H GLY A 91 8.055 7.482 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.966 8.536 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.114 6.868 -2.192 1.00 0.00 H new ATOM 1411 N PRO A 92 11.481 8.425 -2.299 1.00 0.00 N ATOM 1412 CA PRO A 92 12.845 8.735 -2.739 1.00 0.00 C ATOM 1413 C PRO A 92 13.529 7.540 -3.392 1.00 0.00 C ATOM 1414 O PRO A 92 13.176 6.390 -3.129 1.00 0.00 O ATOM 1415 CB PRO A 92 13.559 9.117 -1.440 1.00 0.00 C ATOM 1416 CG PRO A 92 12.797 8.415 -0.369 1.00 0.00 C ATOM 1417 CD PRO A 92 11.367 8.383 -0.831 1.00 0.00 C ATOM 0 HA PRO A 92 12.861 9.519 -3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.603 8.803 -1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.553 10.196 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.180 7.406 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.888 8.939 0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.856 7.481 -0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.802 9.232 -0.447 1.00 0.00 H new ATOM 1425 N SER A 93 14.511 7.818 -4.244 1.00 0.00 N ATOM 1426 CA SER A 93 15.244 6.765 -4.937 1.00 0.00 C ATOM 1427 C SER A 93 16.741 7.058 -4.943 1.00 0.00 C ATOM 1428 O SER A 93 17.272 7.610 -5.906 1.00 0.00 O ATOM 1429 CB SER A 93 14.735 6.621 -6.373 1.00 0.00 C ATOM 1430 OG SER A 93 13.644 5.718 -6.439 1.00 0.00 O ATOM 0 H SER A 93 14.817 8.764 -4.471 1.00 0.00 H new ATOM 0 HA SER A 93 15.077 5.829 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.428 7.595 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.542 6.268 -7.015 1.00 0.00 H new ATOM 0 HG SER A 93 13.336 5.645 -7.366 1.00 0.00 H new ATOM 1436 N SER A 94 17.415 6.684 -3.861 1.00 0.00 N ATOM 1437 CA SER A 94 18.851 6.910 -3.738 1.00 0.00 C ATOM 1438 C SER A 94 19.542 6.752 -5.089 1.00 0.00 C ATOM 1439 O SER A 94 19.177 5.893 -5.890 1.00 0.00 O ATOM 1440 CB SER A 94 19.457 5.936 -2.726 1.00 0.00 C ATOM 1441 OG SER A 94 20.815 5.667 -3.027 1.00 0.00 O ATOM 0 H SER A 94 16.990 6.223 -3.056 1.00 0.00 H new ATOM 0 HA SER A 94 19.005 7.930 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.380 6.355 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.890 5.005 -2.728 1.00 0.00 H new ATOM 0 HG SER A 94 21.180 5.043 -2.365 1.00 0.00 H new ATOM 1447 N GLY A 95 20.545 7.591 -5.335 1.00 0.00 N ATOM 1448 CA GLY A 95 21.272 7.530 -6.589 1.00 0.00 C ATOM 1449 C GLY A 95 20.670 8.426 -7.653 1.00 0.00 C ATOM 1450 O GLY A 95 19.683 9.106 -7.375 1.00 0.00 O ATOM 0 H GLY A 95 20.866 8.311 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 95 22.309 7.820 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.284 6.501 -6.949 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -5.672 -2.843 3.042 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.491 -2.361 -7.493 1.00 0.00 ZN