USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -2.81! C(o=-1.9!,f=-16!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 172:sc= 0.891 (180deg=0) USER MOD Set 2.1: A 13 HIS :FLIP no HD1:sc= -1.11 F(o=-3.4!,f=-1.1) USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= -0.0261 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0699) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.043) USER MOD Single : A 52 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.96) USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= -0.015 (180deg=-0.47) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -46:sc= 0.99 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.29! C(o=-1.3!,f=-1.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0993 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.543 -0.225 -20.567 1.00 0.00 N ATOM 2 CA GLY A 1 -15.070 -0.667 -21.867 1.00 0.00 C ATOM 3 C GLY A 1 -13.992 0.237 -22.429 1.00 0.00 C ATOM 4 O GLY A 1 -14.264 1.373 -22.817 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.279 -0.876 -20.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.750 -0.215 -19.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.939 0.733 -20.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.681 -1.682 -21.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.909 -0.703 -22.562 1.00 0.00 H new ATOM 8 N SER A 2 -12.762 -0.267 -22.473 1.00 0.00 N ATOM 9 CA SER A 2 -11.637 0.505 -22.988 1.00 0.00 C ATOM 10 C SER A 2 -10.446 -0.402 -23.283 1.00 0.00 C ATOM 11 O SER A 2 -10.206 -1.379 -22.574 1.00 0.00 O ATOM 12 CB SER A 2 -11.233 1.588 -21.985 1.00 0.00 C ATOM 13 OG SER A 2 -10.000 2.184 -22.349 1.00 0.00 O ATOM 0 H SER A 2 -12.520 -1.206 -22.158 1.00 0.00 H new ATOM 0 HA SER A 2 -11.949 0.980 -23.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.010 2.351 -21.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.151 1.153 -20.989 1.00 0.00 H new ATOM 0 HG SER A 2 -9.764 2.874 -21.694 1.00 0.00 H new ATOM 19 N SER A 3 -9.703 -0.068 -24.334 1.00 0.00 N ATOM 20 CA SER A 3 -8.538 -0.854 -24.725 1.00 0.00 C ATOM 21 C SER A 3 -7.610 -0.038 -25.621 1.00 0.00 C ATOM 22 O SER A 3 -8.026 0.942 -26.238 1.00 0.00 O ATOM 23 CB SER A 3 -8.976 -2.127 -25.450 1.00 0.00 C ATOM 24 OG SER A 3 -9.645 -1.821 -26.662 1.00 0.00 O ATOM 0 H SER A 3 -9.887 0.740 -24.929 1.00 0.00 H new ATOM 0 HA SER A 3 -7.994 -1.129 -23.821 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.105 -2.748 -25.659 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.634 -2.708 -24.805 1.00 0.00 H new ATOM 0 HG SER A 3 -9.913 -2.652 -27.107 1.00 0.00 H new ATOM 30 N GLY A 4 -6.348 -0.451 -25.687 1.00 0.00 N ATOM 31 CA GLY A 4 -5.379 0.251 -26.509 1.00 0.00 C ATOM 32 C GLY A 4 -3.955 -0.179 -26.220 1.00 0.00 C ATOM 33 O GLY A 4 -3.707 -1.330 -25.862 1.00 0.00 O ATOM 0 H GLY A 4 -5.979 -1.259 -25.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.603 0.073 -27.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.473 1.324 -26.340 1.00 0.00 H new ATOM 37 N SER A 5 -3.015 0.748 -26.379 1.00 0.00 N ATOM 38 CA SER A 5 -1.606 0.458 -26.139 1.00 0.00 C ATOM 39 C SER A 5 -1.084 1.250 -24.945 1.00 0.00 C ATOM 40 O SER A 5 -1.116 2.481 -24.940 1.00 0.00 O ATOM 41 CB SER A 5 -0.777 0.782 -27.383 1.00 0.00 C ATOM 42 OG SER A 5 -1.159 -0.034 -28.477 1.00 0.00 O ATOM 0 H SER A 5 -3.204 1.706 -26.673 1.00 0.00 H new ATOM 0 HA SER A 5 -1.512 -0.605 -25.916 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.905 1.832 -27.646 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.281 0.635 -27.167 1.00 0.00 H new ATOM 0 HG SER A 5 -0.616 0.194 -29.260 1.00 0.00 H new ATOM 48 N SER A 6 -0.604 0.535 -23.932 1.00 0.00 N ATOM 49 CA SER A 6 -0.077 1.170 -22.730 1.00 0.00 C ATOM 50 C SER A 6 1.165 0.440 -22.228 1.00 0.00 C ATOM 51 O SER A 6 1.288 -0.775 -22.379 1.00 0.00 O ATOM 52 CB SER A 6 -1.144 1.198 -21.633 1.00 0.00 C ATOM 53 OG SER A 6 -1.482 -0.115 -21.218 1.00 0.00 O ATOM 0 H SER A 6 -0.569 -0.484 -23.920 1.00 0.00 H new ATOM 0 HA SER A 6 0.202 2.193 -22.983 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.779 1.770 -20.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.035 1.708 -22.000 1.00 0.00 H new ATOM 0 HG SER A 6 -2.164 -0.071 -20.516 1.00 0.00 H new ATOM 59 N GLY A 7 2.083 1.191 -21.629 1.00 0.00 N ATOM 60 CA GLY A 7 3.305 0.600 -21.115 1.00 0.00 C ATOM 61 C GLY A 7 3.429 0.741 -19.610 1.00 0.00 C ATOM 62 O GLY A 7 3.609 1.846 -19.096 1.00 0.00 O ATOM 0 H GLY A 7 2.003 2.198 -21.490 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.334 -0.457 -21.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.163 1.073 -21.593 1.00 0.00 H new ATOM 66 N LYS A 8 3.329 -0.378 -18.901 1.00 0.00 N ATOM 67 CA LYS A 8 3.431 -0.374 -17.448 1.00 0.00 C ATOM 68 C LYS A 8 3.655 -1.786 -16.914 1.00 0.00 C ATOM 69 O LYS A 8 2.780 -2.644 -17.019 1.00 0.00 O ATOM 70 CB LYS A 8 2.163 0.220 -16.828 1.00 0.00 C ATOM 71 CG LYS A 8 2.312 0.574 -15.358 1.00 0.00 C ATOM 72 CD LYS A 8 3.144 1.832 -15.169 1.00 0.00 C ATOM 73 CE LYS A 8 2.314 3.087 -15.391 1.00 0.00 C ATOM 74 NZ LYS A 8 1.623 3.522 -14.146 1.00 0.00 N ATOM 0 H LYS A 8 3.177 -1.300 -19.310 1.00 0.00 H new ATOM 0 HA LYS A 8 4.287 0.241 -17.171 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.883 1.116 -17.382 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.346 -0.492 -16.940 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.326 0.719 -14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.780 -0.256 -14.829 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.563 1.845 -14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.984 1.822 -15.864 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.958 3.890 -15.748 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.575 2.901 -16.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.068 4.380 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.989 2.766 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.329 3.725 -13.410 1.00 0.00 H new ATOM 88 N GLN A 9 4.832 -2.017 -16.343 1.00 0.00 N ATOM 89 CA GLN A 9 5.171 -3.325 -15.792 1.00 0.00 C ATOM 90 C GLN A 9 5.019 -3.333 -14.275 1.00 0.00 C ATOM 91 O GLN A 9 5.787 -2.689 -13.561 1.00 0.00 O ATOM 92 CB GLN A 9 6.601 -3.708 -16.175 1.00 0.00 C ATOM 93 CG GLN A 9 6.733 -4.217 -17.602 1.00 0.00 C ATOM 94 CD GLN A 9 6.500 -5.711 -17.712 1.00 0.00 C ATOM 95 OE1 GLN A 9 5.577 -6.159 -18.392 1.00 0.00 O ATOM 96 NE2 GLN A 9 7.339 -6.493 -17.042 1.00 0.00 N ATOM 0 H GLN A 9 5.567 -1.316 -16.249 1.00 0.00 H new ATOM 0 HA GLN A 9 4.481 -4.057 -16.212 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.248 -2.840 -16.046 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.959 -4.476 -15.489 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.019 -3.694 -18.238 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.728 -3.980 -17.978 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.091 -6.080 -16.490 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.231 -7.507 -17.079 1.00 0.00 H new ATOM 105 N ALA A 10 4.022 -4.066 -13.789 1.00 0.00 N ATOM 106 CA ALA A 10 3.771 -4.159 -12.356 1.00 0.00 C ATOM 107 C ALA A 10 4.664 -5.212 -11.709 1.00 0.00 C ATOM 108 O ALA A 10 5.324 -5.989 -12.399 1.00 0.00 O ATOM 109 CB ALA A 10 2.305 -4.478 -12.097 1.00 0.00 C ATOM 0 H ALA A 10 3.376 -4.604 -14.366 1.00 0.00 H new ATOM 0 HA ALA A 10 4.008 -3.194 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.131 -4.545 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.681 -3.689 -12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.051 -5.429 -12.565 1.00 0.00 H new ATOM 115 N LYS A 11 4.682 -5.230 -10.381 1.00 0.00 N ATOM 116 CA LYS A 11 5.495 -6.187 -9.639 1.00 0.00 C ATOM 117 C LYS A 11 4.872 -6.493 -8.282 1.00 0.00 C ATOM 118 O LYS A 11 4.184 -5.653 -7.701 1.00 0.00 O ATOM 119 CB LYS A 11 6.914 -5.646 -9.452 1.00 0.00 C ATOM 120 CG LYS A 11 6.993 -4.466 -8.500 1.00 0.00 C ATOM 121 CD LYS A 11 8.397 -4.288 -7.947 1.00 0.00 C ATOM 122 CE LYS A 11 8.624 -2.870 -7.447 1.00 0.00 C ATOM 123 NZ LYS A 11 10.070 -2.579 -7.240 1.00 0.00 N ATOM 0 H LYS A 11 4.143 -4.592 -9.796 1.00 0.00 H new ATOM 0 HA LYS A 11 5.539 -7.111 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.553 -6.446 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.311 -5.347 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.688 -3.558 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.293 -4.614 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.560 -4.993 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.127 -4.523 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.210 -2.161 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.087 -2.725 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.182 -1.603 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.460 -3.238 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.579 -2.692 -8.140 1.00 0.00 H new ATOM 137 N ILE A 12 5.118 -7.699 -7.780 1.00 0.00 N ATOM 138 CA ILE A 12 4.583 -8.113 -6.489 1.00 0.00 C ATOM 139 C ILE A 12 5.672 -8.129 -5.422 1.00 0.00 C ATOM 140 O ILE A 12 6.769 -8.643 -5.648 1.00 0.00 O ATOM 141 CB ILE A 12 3.938 -9.509 -6.569 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.897 -9.550 -7.691 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.302 -9.875 -5.236 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.171 -10.874 -7.792 1.00 0.00 C ATOM 0 H ILE A 12 5.685 -8.406 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 12 3.820 -7.384 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 12 4.715 -10.240 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.168 -8.756 -7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.389 -9.341 -8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.850 -10.864 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.065 -9.880 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.534 -9.143 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.449 -10.832 -8.607 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.890 -11.670 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.650 -11.076 -6.856 1.00 0.00 H new ATOM 156 N HIS A 13 5.363 -7.564 -4.260 1.00 0.00 N ATOM 157 CA HIS A 13 6.315 -7.517 -3.155 1.00 0.00 C ATOM 158 C HIS A 13 6.045 -8.636 -2.156 1.00 0.00 C ATOM 159 O HIS A 13 5.089 -8.574 -1.382 1.00 0.00 O ATOM 160 CB HIS A 13 6.244 -6.160 -2.452 1.00 0.00 C ATOM 161 CG HIS A 13 6.247 -4.996 -3.394 1.00 0.00 C ATOM 162 ND1 HIS A 13 5.549 -4.777 -4.532 1.00 0.00 N flip ATOM 163 CD2 HIS A 13 7.040 -3.882 -3.211 1.00 0.00 C flip ATOM 164 CE1 HIS A 13 5.927 -3.547 -5.012 1.00 0.00 C flip ATOM 165 NE2 HIS A 13 6.827 -3.028 -4.196 1.00 0.00 N flip ATOM 0 H HIS A 13 4.461 -7.132 -4.058 1.00 0.00 H new ATOM 0 HA HIS A 13 7.316 -7.655 -3.564 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.340 -6.122 -1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.090 -6.068 -1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.727 -3.732 -2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.550 -3.080 -5.910 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.281 -2.121 -4.308 1.00 0.00 H new ATOM 173 N TYR A 14 6.892 -9.659 -2.177 1.00 0.00 N ATOM 174 CA TYR A 14 6.743 -10.795 -1.275 1.00 0.00 C ATOM 175 C TYR A 14 7.222 -10.441 0.130 1.00 0.00 C ATOM 176 O TYR A 14 8.044 -11.148 0.713 1.00 0.00 O ATOM 177 CB TYR A 14 7.524 -12.000 -1.804 1.00 0.00 C ATOM 178 CG TYR A 14 6.740 -12.846 -2.781 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.860 -12.264 -3.685 1.00 0.00 C ATOM 180 CD2 TYR A 14 6.881 -14.229 -2.802 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.142 -13.034 -4.579 1.00 0.00 C ATOM 182 CE2 TYR A 14 6.168 -15.006 -3.694 1.00 0.00 C ATOM 183 CZ TYR A 14 5.300 -14.404 -4.581 1.00 0.00 C ATOM 184 OH TYR A 14 4.587 -15.175 -5.470 1.00 0.00 O ATOM 0 H TYR A 14 7.690 -9.725 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 14 5.685 -11.050 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.434 -11.648 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.831 -12.621 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.735 -11.191 -3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.560 -14.704 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.460 -12.565 -5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.289 -16.079 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 14 4.815 -16.119 -5.341 1.00 0.00 H new ATOM 194 N ILE A 15 6.700 -9.343 0.666 1.00 0.00 N ATOM 195 CA ILE A 15 7.072 -8.896 2.002 1.00 0.00 C ATOM 196 C ILE A 15 6.179 -9.529 3.063 1.00 0.00 C ATOM 197 O ILE A 15 4.985 -9.737 2.842 1.00 0.00 O ATOM 198 CB ILE A 15 6.990 -7.363 2.126 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.320 -6.724 1.718 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.620 -6.965 3.547 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.377 -6.328 0.259 1.00 0.00 C ATOM 0 H ILE A 15 6.019 -8.747 0.196 1.00 0.00 H new ATOM 0 HA ILE A 15 8.103 -9.211 2.164 1.00 0.00 H new ATOM 0 HB ILE A 15 6.212 -7.001 1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.493 -5.841 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.129 -7.423 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.566 -5.879 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.652 -7.394 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.377 -7.337 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.347 -5.882 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.235 -7.211 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.589 -5.605 0.047 1.00 0.00 H new ATOM 213 N LYS A 16 6.763 -9.833 4.217 1.00 0.00 N ATOM 214 CA LYS A 16 6.020 -10.440 5.315 1.00 0.00 C ATOM 215 C LYS A 16 5.048 -11.496 4.797 1.00 0.00 C ATOM 216 O LYS A 16 3.961 -11.675 5.345 1.00 0.00 O ATOM 217 CB LYS A 16 5.256 -9.368 6.096 1.00 0.00 C ATOM 218 CG LYS A 16 6.156 -8.333 6.748 1.00 0.00 C ATOM 219 CD LYS A 16 6.820 -8.883 8.000 1.00 0.00 C ATOM 220 CE LYS A 16 8.188 -8.256 8.226 1.00 0.00 C ATOM 221 NZ LYS A 16 9.271 -9.041 7.573 1.00 0.00 N ATOM 0 H LYS A 16 7.750 -9.669 4.416 1.00 0.00 H new ATOM 0 HA LYS A 16 6.735 -10.925 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.565 -8.863 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.655 -9.851 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.920 -8.015 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.571 -7.449 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.184 -8.692 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.924 -9.965 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.190 -7.238 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.384 -8.187 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.187 -8.582 7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.285 -10.005 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.098 -9.086 6.548 1.00 0.00 H new ATOM 235 N ASN A 17 5.447 -12.192 3.738 1.00 0.00 N ATOM 236 CA ASN A 17 4.612 -13.230 3.146 1.00 0.00 C ATOM 237 C ASN A 17 3.336 -12.634 2.560 1.00 0.00 C ATOM 238 O ASN A 17 2.253 -13.206 2.691 1.00 0.00 O ATOM 239 CB ASN A 17 4.260 -14.288 4.193 1.00 0.00 C ATOM 240 CG ASN A 17 5.253 -15.434 4.216 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.444 -15.233 4.453 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.766 -16.644 3.965 1.00 0.00 N ATOM 0 H ASN A 17 6.344 -12.056 3.272 1.00 0.00 H new ATOM 0 HA ASN A 17 5.176 -13.699 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.224 -13.822 5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.263 -14.679 3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.387 -17.453 3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.771 -16.764 3.774 1.00 0.00 H new ATOM 249 N HIS A 18 3.470 -11.480 1.914 1.00 0.00 N ATOM 250 CA HIS A 18 2.328 -10.806 1.306 1.00 0.00 C ATOM 251 C HIS A 18 2.533 -10.639 -0.196 1.00 0.00 C ATOM 252 O HIS A 18 3.535 -11.088 -0.749 1.00 0.00 O ATOM 253 CB HIS A 18 2.110 -9.439 1.959 1.00 0.00 C ATOM 254 CG HIS A 18 1.388 -9.510 3.268 1.00 0.00 C ATOM 255 ND1 HIS A 18 0.019 -9.383 3.381 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.852 -9.696 4.526 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.328 -9.488 4.651 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.766 -9.678 5.367 1.00 0.00 N ATOM 0 H HIS A 18 4.358 -10.992 1.798 1.00 0.00 H new ATOM 0 HA HIS A 18 1.444 -11.423 1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.077 -8.960 2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.545 -8.805 1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.884 -9.833 4.815 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.334 -9.429 5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.799 -9.793 6.380 1.00 0.00 H new ATOM 266 N GLU A 19 1.574 -9.990 -0.850 1.00 0.00 N ATOM 267 CA GLU A 19 1.649 -9.766 -2.289 1.00 0.00 C ATOM 268 C GLU A 19 1.355 -8.308 -2.629 1.00 0.00 C ATOM 269 O GLU A 19 0.798 -8.004 -3.684 1.00 0.00 O ATOM 270 CB GLU A 19 0.663 -10.679 -3.022 1.00 0.00 C ATOM 271 CG GLU A 19 1.259 -12.019 -3.423 1.00 0.00 C ATOM 272 CD GLU A 19 0.600 -12.605 -4.655 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.636 -12.474 -4.788 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.318 -13.195 -5.489 1.00 0.00 O ATOM 0 H GLU A 19 0.737 -9.611 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 19 2.663 -10.001 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.203 -10.852 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.303 -10.169 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.326 -11.897 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.159 -12.720 -2.594 1.00 0.00 H new ATOM 281 N PHE A 20 1.735 -7.409 -1.726 1.00 0.00 N ATOM 282 CA PHE A 20 1.511 -5.981 -1.928 1.00 0.00 C ATOM 283 C PHE A 20 1.833 -5.578 -3.365 1.00 0.00 C ATOM 284 O PHE A 20 2.993 -5.583 -3.777 1.00 0.00 O ATOM 285 CB PHE A 20 2.367 -5.167 -0.955 1.00 0.00 C ATOM 286 CG PHE A 20 2.011 -5.391 0.487 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.745 -5.084 0.958 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.944 -5.910 1.371 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.415 -5.288 2.284 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.620 -6.116 2.699 1.00 0.00 C ATOM 291 CZ PHE A 20 1.354 -5.807 3.155 1.00 0.00 C ATOM 0 H PHE A 20 2.199 -7.643 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 20 0.458 -5.773 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.416 -5.421 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.259 -4.108 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.007 -4.680 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.935 -6.156 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.575 -5.042 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.356 -6.518 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.098 -5.971 4.191 1.00 0.00 H new ATOM 301 N ILE A 21 0.797 -5.232 -4.122 1.00 0.00 N ATOM 302 CA ILE A 21 0.968 -4.827 -5.511 1.00 0.00 C ATOM 303 C ILE A 21 0.753 -3.325 -5.675 1.00 0.00 C ATOM 304 O ILE A 21 -0.273 -2.787 -5.264 1.00 0.00 O ATOM 305 CB ILE A 21 -0.003 -5.578 -6.440 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.503 -6.999 -6.700 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.172 -4.824 -7.750 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.250 -7.717 -7.799 1.00 0.00 C ATOM 0 H ILE A 21 -0.170 -5.224 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 21 1.991 -5.078 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.975 -5.641 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.560 -6.957 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.426 -7.578 -5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.861 -5.367 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.571 -3.830 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.795 -4.734 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.162 -8.718 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.304 -7.791 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.151 -7.161 -8.731 1.00 0.00 H new ATOM 320 N ALA A 22 1.728 -2.657 -6.284 1.00 0.00 N ATOM 321 CA ALA A 22 1.643 -1.219 -6.507 1.00 0.00 C ATOM 322 C ALA A 22 0.306 -0.839 -7.132 1.00 0.00 C ATOM 323 O ALA A 22 -0.074 -1.362 -8.179 1.00 0.00 O ATOM 324 CB ALA A 22 2.792 -0.754 -7.389 1.00 0.00 C ATOM 0 H ALA A 22 2.585 -3.088 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 22 1.717 -0.721 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.717 0.322 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.740 -0.983 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.744 -1.267 -8.350 1.00 0.00 H new ATOM 330 N THR A 23 -0.406 0.077 -6.483 1.00 0.00 N ATOM 331 CA THR A 23 -1.703 0.527 -6.973 1.00 0.00 C ATOM 332 C THR A 23 -1.901 2.017 -6.719 1.00 0.00 C ATOM 333 O THR A 23 -1.348 2.574 -5.769 1.00 0.00 O ATOM 334 CB THR A 23 -2.855 -0.253 -6.312 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.089 0.038 -6.978 1.00 0.00 O ATOM 336 CG2 THR A 23 -2.973 0.104 -4.838 1.00 0.00 C ATOM 0 H THR A 23 -0.106 0.522 -5.616 1.00 0.00 H new ATOM 0 HA THR A 23 -1.717 0.340 -8.047 1.00 0.00 H new ATOM 0 HB THR A 23 -2.639 -1.318 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.816 -0.463 -6.553 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.793 -0.459 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.042 -0.145 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.168 1.172 -4.737 1.00 0.00 H new ATOM 344 N PHE A 24 -2.692 2.658 -7.573 1.00 0.00 N ATOM 345 CA PHE A 24 -2.963 4.085 -7.440 1.00 0.00 C ATOM 346 C PHE A 24 -4.310 4.323 -6.765 1.00 0.00 C ATOM 347 O PHE A 24 -5.364 4.100 -7.363 1.00 0.00 O ATOM 348 CB PHE A 24 -2.940 4.760 -8.814 1.00 0.00 C ATOM 349 CG PHE A 24 -2.777 6.252 -8.746 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.587 6.813 -8.311 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.814 7.092 -9.118 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.435 8.185 -8.248 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.667 8.465 -9.057 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.475 9.012 -8.621 1.00 0.00 C ATOM 0 H PHE A 24 -3.156 2.212 -8.364 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.183 4.521 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.125 4.340 -9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.866 4.527 -9.340 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.769 6.171 -8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.747 6.669 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.503 8.610 -7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.483 9.110 -9.350 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.358 10.084 -8.572 1.00 0.00 H new ATOM 364 N PHE A 25 -4.269 4.776 -5.518 1.00 0.00 N ATOM 365 CA PHE A 25 -5.486 5.043 -4.760 1.00 0.00 C ATOM 366 C PHE A 25 -6.009 6.448 -5.049 1.00 0.00 C ATOM 367 O PHE A 25 -7.112 6.616 -5.567 1.00 0.00 O ATOM 368 CB PHE A 25 -5.226 4.882 -3.262 1.00 0.00 C ATOM 369 CG PHE A 25 -4.515 3.606 -2.910 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.136 3.514 -3.012 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.226 2.497 -2.480 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.479 2.341 -2.689 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.575 1.322 -2.156 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.200 1.244 -2.261 1.00 0.00 C ATOM 0 H PHE A 25 -3.406 4.966 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.242 4.321 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.634 5.727 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.177 4.917 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.568 4.369 -3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.301 2.552 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.404 2.283 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.141 0.465 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.690 0.326 -2.009 1.00 0.00 H new ATOM 384 N GLY A 26 -5.208 7.452 -4.707 1.00 0.00 N ATOM 385 CA GLY A 26 -5.607 8.829 -4.937 1.00 0.00 C ATOM 386 C GLY A 26 -6.491 9.368 -3.829 1.00 0.00 C ATOM 387 O GLY A 26 -6.343 10.517 -3.412 1.00 0.00 O ATOM 0 H GLY A 26 -4.291 7.337 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.717 9.452 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.138 8.897 -5.887 1.00 0.00 H new ATOM 391 N GLN A 27 -7.414 8.538 -3.354 1.00 0.00 N ATOM 392 CA GLN A 27 -8.327 8.940 -2.291 1.00 0.00 C ATOM 393 C GLN A 27 -7.767 8.564 -0.923 1.00 0.00 C ATOM 394 O GLN A 27 -6.977 7.631 -0.782 1.00 0.00 O ATOM 395 CB GLN A 27 -9.696 8.287 -2.491 1.00 0.00 C ATOM 396 CG GLN A 27 -9.797 6.891 -1.898 1.00 0.00 C ATOM 397 CD GLN A 27 -10.953 6.096 -2.473 1.00 0.00 C ATOM 398 OE1 GLN A 27 -10.871 5.577 -3.587 1.00 0.00 O ATOM 399 NE2 GLN A 27 -12.038 5.994 -1.715 1.00 0.00 N ATOM 0 H GLN A 27 -7.549 7.584 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.440 10.023 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.460 8.920 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.912 8.236 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.866 6.355 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.915 6.967 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.063 6.440 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.846 5.470 -2.050 1.00 0.00 H new ATOM 408 N PRO A 28 -8.185 9.308 0.113 1.00 0.00 N ATOM 409 CA PRO A 28 -7.739 9.072 1.489 1.00 0.00 C ATOM 410 C PRO A 28 -8.300 7.777 2.067 1.00 0.00 C ATOM 411 O PRO A 28 -9.331 7.781 2.740 1.00 0.00 O ATOM 412 CB PRO A 28 -8.286 10.280 2.252 1.00 0.00 C ATOM 413 CG PRO A 28 -9.463 10.729 1.455 1.00 0.00 C ATOM 414 CD PRO A 28 -9.127 10.437 0.019 1.00 0.00 C ATOM 0 HA PRO A 28 -6.656 8.965 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.575 10.009 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.538 11.069 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.366 10.199 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.652 11.792 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.015 10.173 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.674 11.299 -0.471 1.00 0.00 H new ATOM 422 N THR A 29 -7.615 6.669 1.799 1.00 0.00 N ATOM 423 CA THR A 29 -8.046 5.367 2.292 1.00 0.00 C ATOM 424 C THR A 29 -7.488 5.094 3.684 1.00 0.00 C ATOM 425 O THR A 29 -6.633 5.830 4.176 1.00 0.00 O ATOM 426 CB THR A 29 -7.606 4.235 1.344 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.754 4.651 -0.017 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.427 2.977 1.588 1.00 0.00 C ATOM 0 H THR A 29 -6.760 6.648 1.243 1.00 0.00 H new ATOM 0 HA THR A 29 -9.135 5.391 2.338 1.00 0.00 H new ATOM 0 HB THR A 29 -6.558 4.011 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.471 3.927 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.099 2.191 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.289 2.647 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.481 3.191 1.414 1.00 0.00 H new ATOM 436 N PHE A 30 -7.977 4.032 4.315 1.00 0.00 N ATOM 437 CA PHE A 30 -7.528 3.662 5.652 1.00 0.00 C ATOM 438 C PHE A 30 -6.349 2.697 5.581 1.00 0.00 C ATOM 439 O PHE A 30 -6.359 1.740 4.806 1.00 0.00 O ATOM 440 CB PHE A 30 -8.676 3.026 6.440 1.00 0.00 C ATOM 441 CG PHE A 30 -8.327 2.732 7.871 1.00 0.00 C ATOM 442 CD1 PHE A 30 -7.941 3.751 8.727 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.388 1.438 8.361 1.00 0.00 C ATOM 444 CE1 PHE A 30 -7.620 3.483 10.045 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.068 1.163 9.678 1.00 0.00 C ATOM 446 CZ PHE A 30 -7.685 2.188 10.521 1.00 0.00 C ATOM 0 H PHE A 30 -8.685 3.412 3.922 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.203 4.568 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.538 3.693 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.974 2.100 5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.890 4.766 8.361 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.689 0.634 7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.319 4.286 10.702 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.117 0.149 10.047 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.437 1.977 11.551 1.00 0.00 H new ATOM 456 N CYS A 31 -5.330 2.957 6.395 1.00 0.00 N ATOM 457 CA CYS A 31 -4.142 2.114 6.427 1.00 0.00 C ATOM 458 C CYS A 31 -4.228 1.093 7.557 1.00 0.00 C ATOM 459 O CYS A 31 -5.002 1.258 8.500 1.00 0.00 O ATOM 460 CB CYS A 31 -2.887 2.972 6.594 1.00 0.00 C ATOM 461 SG CYS A 31 -1.330 2.025 6.584 1.00 0.00 S ATOM 0 H CYS A 31 -5.304 3.746 7.041 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.084 1.577 5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.856 3.710 5.793 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.959 3.523 7.532 1.00 0.00 H new ATOM 466 N SER A 32 -3.427 0.036 7.457 1.00 0.00 N ATOM 467 CA SER A 32 -3.414 -1.013 8.468 1.00 0.00 C ATOM 468 C SER A 32 -2.223 -0.848 9.408 1.00 0.00 C ATOM 469 O SER A 32 -2.322 -1.112 10.606 1.00 0.00 O ATOM 470 CB SER A 32 -3.367 -2.390 7.804 1.00 0.00 C ATOM 471 OG SER A 32 -3.270 -3.420 8.772 1.00 0.00 O ATOM 0 H SER A 32 -2.778 -0.116 6.685 1.00 0.00 H new ATOM 0 HA SER A 32 -4.330 -0.931 9.053 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.263 -2.537 7.201 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.514 -2.442 7.127 1.00 0.00 H new ATOM 0 HG SER A 32 -3.243 -4.290 8.322 1.00 0.00 H new ATOM 477 N VAL A 33 -1.098 -0.408 8.854 1.00 0.00 N ATOM 478 CA VAL A 33 0.112 -0.206 9.642 1.00 0.00 C ATOM 479 C VAL A 33 -0.005 1.033 10.522 1.00 0.00 C ATOM 480 O VAL A 33 -0.104 0.934 11.745 1.00 0.00 O ATOM 481 CB VAL A 33 1.352 -0.066 8.739 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.575 0.304 9.565 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.593 -1.352 7.962 1.00 0.00 C ATOM 0 H VAL A 33 -0.999 -0.185 7.864 1.00 0.00 H new ATOM 0 HA VAL A 33 0.229 -1.086 10.274 1.00 0.00 H new ATOM 0 HB VAL A 33 1.170 0.736 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.441 0.399 8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.398 1.253 10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.763 -0.474 10.305 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.473 -1.235 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.754 -2.174 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.725 -1.569 7.340 1.00 0.00 H new ATOM 493 N CYS A 34 0.008 2.203 9.891 1.00 0.00 N ATOM 494 CA CYS A 34 -0.098 3.465 10.614 1.00 0.00 C ATOM 495 C CYS A 34 -1.558 3.869 10.794 1.00 0.00 C ATOM 496 O CYS A 34 -1.913 4.543 11.761 1.00 0.00 O ATOM 497 CB CYS A 34 0.660 4.567 9.872 1.00 0.00 C ATOM 498 SG CYS A 34 -0.173 5.156 8.363 1.00 0.00 S ATOM 0 H CYS A 34 0.091 2.303 8.879 1.00 0.00 H new ATOM 0 HA CYS A 34 0.346 3.328 11.600 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.805 5.411 10.547 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.650 4.197 9.607 1.00 0.00 H new ATOM 503 N LYS A 35 -2.402 3.451 9.856 1.00 0.00 N ATOM 504 CA LYS A 35 -3.824 3.767 9.910 1.00 0.00 C ATOM 505 C LYS A 35 -4.054 5.268 9.767 1.00 0.00 C ATOM 506 O LYS A 35 -4.743 5.880 10.583 1.00 0.00 O ATOM 507 CB LYS A 35 -4.428 3.271 11.225 1.00 0.00 C ATOM 508 CG LYS A 35 -4.154 1.803 11.506 1.00 0.00 C ATOM 509 CD LYS A 35 -4.535 1.426 12.928 1.00 0.00 C ATOM 510 CE LYS A 35 -4.140 -0.007 13.249 1.00 0.00 C ATOM 511 NZ LYS A 35 -5.192 -0.978 12.834 1.00 0.00 N ATOM 0 H LYS A 35 -2.125 2.892 9.049 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.315 3.261 9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.032 3.869 12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.506 3.433 11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.714 1.186 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.097 1.592 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.048 2.104 13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.610 1.547 13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.204 -0.248 12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.959 -0.103 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.886 -1.944 13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.078 -0.764 13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.347 -0.905 11.808 1.00 0.00 H new ATOM 525 N ASP A 36 -3.474 5.853 8.725 1.00 0.00 N ATOM 526 CA ASP A 36 -3.618 7.283 8.474 1.00 0.00 C ATOM 527 C ASP A 36 -4.296 7.533 7.131 1.00 0.00 C ATOM 528 O ASP A 36 -4.435 6.621 6.315 1.00 0.00 O ATOM 529 CB ASP A 36 -2.251 7.968 8.505 1.00 0.00 C ATOM 530 CG ASP A 36 -1.759 8.216 9.917 1.00 0.00 C ATOM 531 OD1 ASP A 36 -1.460 7.230 10.622 1.00 0.00 O ATOM 532 OD2 ASP A 36 -1.675 9.396 10.318 1.00 0.00 O ATOM 0 H ASP A 36 -2.900 5.360 8.041 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.244 7.704 9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.526 7.350 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.311 8.917 7.973 1.00 0.00 H new ATOM 537 N PHE A 37 -4.717 8.774 6.907 1.00 0.00 N ATOM 538 CA PHE A 37 -5.383 9.143 5.664 1.00 0.00 C ATOM 539 C PHE A 37 -4.497 8.835 4.461 1.00 0.00 C ATOM 540 O PHE A 37 -3.756 9.696 3.985 1.00 0.00 O ATOM 541 CB PHE A 37 -5.747 10.629 5.677 1.00 0.00 C ATOM 542 CG PHE A 37 -6.117 11.143 7.039 1.00 0.00 C ATOM 543 CD1 PHE A 37 -7.384 10.927 7.556 1.00 0.00 C ATOM 544 CD2 PHE A 37 -5.197 11.844 7.803 1.00 0.00 C ATOM 545 CE1 PHE A 37 -7.728 11.399 8.808 1.00 0.00 C ATOM 546 CE2 PHE A 37 -5.535 12.317 9.056 1.00 0.00 C ATOM 547 CZ PHE A 37 -6.802 12.096 9.559 1.00 0.00 C ATOM 0 H PHE A 37 -4.608 9.541 7.571 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.296 8.554 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.903 11.205 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.581 10.797 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.112 10.383 6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.205 12.022 7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.719 11.223 9.199 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.808 12.860 9.642 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.068 12.467 10.538 1.00 0.00 H new ATOM 557 N VAL A 38 -4.578 7.602 3.973 1.00 0.00 N ATOM 558 CA VAL A 38 -3.784 7.178 2.826 1.00 0.00 C ATOM 559 C VAL A 38 -4.192 7.936 1.567 1.00 0.00 C ATOM 560 O VAL A 38 -4.871 7.392 0.696 1.00 0.00 O ATOM 561 CB VAL A 38 -3.927 5.666 2.570 1.00 0.00 C ATOM 562 CG1 VAL A 38 -3.092 5.246 1.372 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.532 4.878 3.810 1.00 0.00 C ATOM 0 H VAL A 38 -5.186 6.878 4.355 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.743 7.401 3.062 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.972 5.449 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.206 4.175 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.427 5.787 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.043 5.474 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.639 3.811 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.496 5.098 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.178 5.160 4.641 1.00 0.00 H new ATOM 573 N TRP A 39 -3.774 9.194 1.479 1.00 0.00 N ATOM 574 CA TRP A 39 -4.096 10.026 0.325 1.00 0.00 C ATOM 575 C TRP A 39 -2.831 10.614 -0.291 1.00 0.00 C ATOM 576 O TRP A 39 -1.807 10.746 0.378 1.00 0.00 O ATOM 577 CB TRP A 39 -5.051 11.149 0.732 1.00 0.00 C ATOM 578 CG TRP A 39 -4.347 12.396 1.175 1.00 0.00 C ATOM 579 CD1 TRP A 39 -3.254 12.475 1.991 1.00 0.00 C ATOM 580 CD2 TRP A 39 -4.687 13.743 0.827 1.00 0.00 C ATOM 581 NE1 TRP A 39 -2.895 13.789 2.170 1.00 0.00 N ATOM 582 CE2 TRP A 39 -3.759 14.586 1.467 1.00 0.00 C ATOM 583 CE3 TRP A 39 -5.686 14.317 0.035 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -3.802 15.972 1.340 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -5.727 15.693 -0.089 1.00 0.00 C ATOM 586 CH2 TRP A 39 -4.789 16.508 0.559 1.00 0.00 C ATOM 0 H TRP A 39 -3.212 9.660 2.192 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.583 9.398 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.701 11.387 -0.110 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.692 10.796 1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -2.747 11.629 2.431 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.112 14.118 2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.412 13.697 -0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.081 16.602 1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -6.496 16.148 -0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.846 17.580 0.440 1.00 0.00 H new ATOM 597 N GLY A 40 -2.910 10.968 -1.571 1.00 0.00 N ATOM 598 CA GLY A 40 -1.765 11.538 -2.254 1.00 0.00 C ATOM 599 C GLY A 40 -2.067 11.889 -3.698 1.00 0.00 C ATOM 600 O GLY A 40 -2.663 11.093 -4.427 1.00 0.00 O ATOM 0 H GLY A 40 -3.747 10.870 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.440 12.434 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.937 10.830 -2.221 1.00 0.00 H new ATOM 604 N LEU A 41 -1.657 13.082 -4.115 1.00 0.00 N ATOM 605 CA LEU A 41 -1.889 13.537 -5.481 1.00 0.00 C ATOM 606 C LEU A 41 -1.082 12.706 -6.475 1.00 0.00 C ATOM 607 O LEU A 41 -1.629 12.169 -7.437 1.00 0.00 O ATOM 608 CB LEU A 41 -1.520 15.015 -5.617 1.00 0.00 C ATOM 609 CG LEU A 41 -2.287 15.983 -4.715 1.00 0.00 C ATOM 610 CD1 LEU A 41 -1.675 17.374 -4.784 1.00 0.00 C ATOM 611 CD2 LEU A 41 -3.756 16.025 -5.106 1.00 0.00 C ATOM 0 H LEU A 41 -1.162 13.752 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.948 13.412 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.455 15.124 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.676 15.314 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.215 15.627 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.233 18.050 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.637 17.331 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.716 17.739 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.286 16.719 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.848 16.357 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.188 15.029 -5.005 1.00 0.00 H new ATOM 623 N ASN A 42 0.220 12.604 -6.233 1.00 0.00 N ATOM 624 CA ASN A 42 1.102 11.838 -7.107 1.00 0.00 C ATOM 625 C ASN A 42 1.583 10.566 -6.414 1.00 0.00 C ATOM 626 O ASN A 42 1.469 9.468 -6.958 1.00 0.00 O ATOM 627 CB ASN A 42 2.302 12.687 -7.529 1.00 0.00 C ATOM 628 CG ASN A 42 1.975 13.620 -8.678 1.00 0.00 C ATOM 629 OD1 ASN A 42 0.808 13.908 -8.946 1.00 0.00 O ATOM 630 ND2 ASN A 42 3.006 14.096 -9.366 1.00 0.00 N ATOM 0 H ASN A 42 0.688 13.042 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 42 0.536 11.556 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.647 13.272 -6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.123 12.032 -7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.847 14.727 -10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.957 13.831 -9.109 1.00 0.00 H new ATOM 637 N LYS A 43 2.121 10.723 -5.209 1.00 0.00 N ATOM 638 CA LYS A 43 2.619 9.590 -4.439 1.00 0.00 C ATOM 639 C LYS A 43 1.566 8.489 -4.348 1.00 0.00 C ATOM 640 O LYS A 43 0.378 8.767 -4.181 1.00 0.00 O ATOM 641 CB LYS A 43 3.023 10.040 -3.033 1.00 0.00 C ATOM 642 CG LYS A 43 4.393 10.693 -2.975 1.00 0.00 C ATOM 643 CD LYS A 43 4.712 11.196 -1.576 1.00 0.00 C ATOM 644 CE LYS A 43 3.970 12.486 -1.265 1.00 0.00 C ATOM 645 NZ LYS A 43 4.556 13.651 -1.984 1.00 0.00 N ATOM 0 H LYS A 43 2.223 11.625 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 43 3.494 9.191 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.279 10.742 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.012 9.177 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.152 9.976 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.431 11.524 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.442 10.435 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.785 11.361 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.922 12.378 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.998 12.671 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.162 14.532 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.589 13.651 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.327 13.585 -2.996 1.00 0.00 H new ATOM 659 N GLN A 44 2.009 7.242 -4.458 1.00 0.00 N ATOM 660 CA GLN A 44 1.104 6.101 -4.386 1.00 0.00 C ATOM 661 C GLN A 44 1.440 5.213 -3.192 1.00 0.00 C ATOM 662 O GLN A 44 2.432 5.435 -2.501 1.00 0.00 O ATOM 663 CB GLN A 44 1.176 5.286 -5.680 1.00 0.00 C ATOM 664 CG GLN A 44 2.523 4.616 -5.903 1.00 0.00 C ATOM 665 CD GLN A 44 3.628 5.613 -6.196 1.00 0.00 C ATOM 666 OE1 GLN A 44 4.426 5.945 -5.321 1.00 0.00 O ATOM 667 NE2 GLN A 44 3.678 6.094 -7.433 1.00 0.00 N ATOM 0 H GLN A 44 2.989 6.995 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 44 0.090 6.480 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.398 4.523 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.961 5.941 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.787 4.036 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.443 3.914 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.995 5.790 -8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.400 6.768 -7.689 1.00 0.00 H new ATOM 676 N GLY A 45 0.604 4.206 -2.956 1.00 0.00 N ATOM 677 CA GLY A 45 0.828 3.301 -1.844 1.00 0.00 C ATOM 678 C GLY A 45 0.854 1.848 -2.276 1.00 0.00 C ATOM 679 O GLY A 45 1.192 1.539 -3.419 1.00 0.00 O ATOM 0 H GLY A 45 -0.224 4.001 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.773 3.550 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.043 3.442 -1.101 1.00 0.00 H new ATOM 683 N TYR A 46 0.498 0.954 -1.361 1.00 0.00 N ATOM 684 CA TYR A 46 0.486 -0.474 -1.651 1.00 0.00 C ATOM 685 C TYR A 46 -0.808 -1.118 -1.163 1.00 0.00 C ATOM 686 O TYR A 46 -1.378 -0.706 -0.152 1.00 0.00 O ATOM 687 CB TYR A 46 1.688 -1.159 -1.000 1.00 0.00 C ATOM 688 CG TYR A 46 3.017 -0.735 -1.584 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.239 -0.771 -2.955 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.049 -0.295 -0.764 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.451 -0.386 -3.493 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.265 0.094 -1.293 1.00 0.00 C ATOM 693 CZ TYR A 46 5.461 0.046 -2.658 1.00 0.00 C ATOM 694 OH TYR A 46 6.670 0.433 -3.189 1.00 0.00 O ATOM 0 H TYR A 46 0.214 1.194 -0.411 1.00 0.00 H new ATOM 0 HA TYR A 46 0.548 -0.600 -2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.684 -0.942 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.582 -2.239 -1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.450 -1.106 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.898 -0.256 0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.608 -0.423 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.057 0.433 -0.642 1.00 0.00 H new ATOM 0 HH TYR A 46 7.271 0.710 -2.466 1.00 0.00 H new ATOM 704 N LYS A 47 -1.266 -2.135 -1.887 1.00 0.00 N ATOM 705 CA LYS A 47 -2.490 -2.840 -1.527 1.00 0.00 C ATOM 706 C LYS A 47 -2.393 -4.318 -1.891 1.00 0.00 C ATOM 707 O LYS A 47 -2.262 -4.672 -3.064 1.00 0.00 O ATOM 708 CB LYS A 47 -3.693 -2.207 -2.233 1.00 0.00 C ATOM 709 CG LYS A 47 -4.939 -3.076 -2.206 1.00 0.00 C ATOM 710 CD LYS A 47 -6.169 -2.297 -2.639 1.00 0.00 C ATOM 711 CE LYS A 47 -7.447 -2.943 -2.125 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.653 -2.147 -2.483 1.00 0.00 N ATOM 0 H LYS A 47 -0.807 -2.489 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.624 -2.758 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.917 -1.250 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.428 -1.999 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.800 -3.934 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.090 -3.467 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.102 -1.274 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.201 -2.240 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.538 -3.947 -2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.390 -3.049 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.503 -2.620 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.578 -1.197 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.722 -2.067 -3.518 1.00 0.00 H new ATOM 726 N CYS A 48 -2.461 -5.177 -0.880 1.00 0.00 N ATOM 727 CA CYS A 48 -2.382 -6.617 -1.094 1.00 0.00 C ATOM 728 C CYS A 48 -3.601 -7.121 -1.860 1.00 0.00 C ATOM 729 O CYS A 48 -4.740 -6.928 -1.433 1.00 0.00 O ATOM 730 CB CYS A 48 -2.272 -7.347 0.246 1.00 0.00 C ATOM 731 SG CYS A 48 -1.710 -9.075 0.108 1.00 0.00 S ATOM 0 H CYS A 48 -2.571 -4.901 0.096 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.491 -6.822 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.581 -6.802 0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.245 -7.331 0.737 1.00 0.00 H new ATOM 736 N ARG A 49 -3.355 -7.769 -2.995 1.00 0.00 N ATOM 737 CA ARG A 49 -4.432 -8.300 -3.821 1.00 0.00 C ATOM 738 C ARG A 49 -4.945 -9.622 -3.261 1.00 0.00 C ATOM 739 O ARG A 49 -5.681 -10.347 -3.931 1.00 0.00 O ATOM 740 CB ARG A 49 -3.950 -8.495 -5.260 1.00 0.00 C ATOM 741 CG ARG A 49 -2.568 -9.120 -5.360 1.00 0.00 C ATOM 742 CD ARG A 49 -2.388 -9.869 -6.671 1.00 0.00 C ATOM 743 NE ARG A 49 -3.370 -10.939 -6.830 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.394 -11.766 -7.869 1.00 0.00 C ATOM 745 NH1 ARG A 49 -2.496 -11.646 -8.837 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.319 -12.714 -7.942 1.00 0.00 N ATOM 0 H ARG A 49 -2.419 -7.938 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.251 -7.581 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.664 -9.125 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.940 -7.529 -5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.809 -8.342 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.416 -9.804 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.476 -9.170 -7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.383 -10.290 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.076 -11.057 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.784 -10.917 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.517 -12.283 -9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.012 -12.808 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.337 -13.349 -8.740 1.00 0.00 H new ATOM 760 N GLN A 50 -4.552 -9.930 -2.030 1.00 0.00 N ATOM 761 CA GLN A 50 -4.971 -11.166 -1.380 1.00 0.00 C ATOM 762 C GLN A 50 -5.870 -10.875 -0.183 1.00 0.00 C ATOM 763 O GLN A 50 -7.038 -11.263 -0.161 1.00 0.00 O ATOM 764 CB GLN A 50 -3.751 -11.972 -0.932 1.00 0.00 C ATOM 765 CG GLN A 50 -2.634 -12.008 -1.964 1.00 0.00 C ATOM 766 CD GLN A 50 -1.621 -13.103 -1.689 1.00 0.00 C ATOM 767 OE1 GLN A 50 -0.912 -13.070 -0.684 1.00 0.00 O ATOM 768 NE2 GLN A 50 -1.551 -14.082 -2.583 1.00 0.00 N ATOM 0 H GLN A 50 -3.944 -9.340 -1.462 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.538 -11.752 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.365 -11.547 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.062 -12.993 -0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.064 -12.156 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.126 -11.044 -1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.158 -14.069 -3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.890 -14.847 -2.451 1.00 0.00 H new ATOM 777 N CYS A 51 -5.318 -10.189 0.812 1.00 0.00 N ATOM 778 CA CYS A 51 -6.069 -9.845 2.014 1.00 0.00 C ATOM 779 C CYS A 51 -6.682 -8.453 1.892 1.00 0.00 C ATOM 780 O CYS A 51 -7.498 -8.049 2.720 1.00 0.00 O ATOM 781 CB CYS A 51 -5.160 -9.909 3.243 1.00 0.00 C ATOM 782 SG CYS A 51 -3.657 -8.888 3.110 1.00 0.00 S ATOM 0 H CYS A 51 -4.353 -9.860 0.810 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.876 -10.569 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.727 -9.590 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.868 -10.946 3.412 1.00 0.00 H new ATOM 787 N ASN A 52 -6.284 -7.725 0.854 1.00 0.00 N ATOM 788 CA ASN A 52 -6.793 -6.378 0.623 1.00 0.00 C ATOM 789 C ASN A 52 -6.332 -5.427 1.724 1.00 0.00 C ATOM 790 O ASN A 52 -7.144 -4.747 2.350 1.00 0.00 O ATOM 791 CB ASN A 52 -8.322 -6.395 0.556 1.00 0.00 C ATOM 792 CG ASN A 52 -8.859 -7.649 -0.106 1.00 0.00 C ATOM 793 OD1 ASN A 52 -8.290 -8.141 -1.082 1.00 0.00 O ATOM 794 ND2 ASN A 52 -9.957 -8.173 0.424 1.00 0.00 N ATOM 0 H ASN A 52 -5.610 -8.046 0.159 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.397 -6.023 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.728 -6.318 1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.668 -5.520 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.364 -9.018 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.394 -7.731 1.233 1.00 0.00 H new ATOM 801 N ALA A 53 -5.024 -5.385 1.952 1.00 0.00 N ATOM 802 CA ALA A 53 -4.454 -4.515 2.973 1.00 0.00 C ATOM 803 C ALA A 53 -3.775 -3.302 2.346 1.00 0.00 C ATOM 804 O ALA A 53 -2.642 -3.389 1.872 1.00 0.00 O ATOM 805 CB ALA A 53 -3.467 -5.289 3.834 1.00 0.00 C ATOM 0 H ALA A 53 -4.339 -5.944 1.443 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.267 -4.156 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.049 -4.627 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.981 -6.119 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.664 -5.676 3.208 1.00 0.00 H new ATOM 811 N ALA A 54 -4.474 -2.172 2.344 1.00 0.00 N ATOM 812 CA ALA A 54 -3.937 -0.943 1.776 1.00 0.00 C ATOM 813 C ALA A 54 -3.082 -0.195 2.793 1.00 0.00 C ATOM 814 O ALA A 54 -3.567 0.206 3.851 1.00 0.00 O ATOM 815 CB ALA A 54 -5.067 -0.053 1.279 1.00 0.00 C ATOM 0 H ALA A 54 -5.414 -2.083 2.730 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.301 -1.211 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.651 0.862 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.635 -0.580 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.725 0.198 2.111 1.00 0.00 H new ATOM 821 N ILE A 55 -1.807 -0.013 2.467 1.00 0.00 N ATOM 822 CA ILE A 55 -0.885 0.687 3.352 1.00 0.00 C ATOM 823 C ILE A 55 -0.031 1.687 2.579 1.00 0.00 C ATOM 824 O ILE A 55 -0.123 1.782 1.355 1.00 0.00 O ATOM 825 CB ILE A 55 0.041 -0.297 4.092 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.096 -0.857 3.136 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.771 -1.424 4.713 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.187 -1.640 3.831 1.00 0.00 C ATOM 0 H ILE A 55 -1.389 -0.341 1.596 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.493 1.221 4.082 1.00 0.00 H new ATOM 0 HB ILE A 55 0.552 0.240 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.607 -1.501 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.547 -0.033 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.103 -2.111 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.487 -1.009 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.306 -1.961 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.899 -2.007 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.702 -0.994 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.747 -2.485 4.361 1.00 0.00 H new ATOM 840 N HIS A 56 0.801 2.429 3.302 1.00 0.00 N ATOM 841 CA HIS A 56 1.675 3.421 2.683 1.00 0.00 C ATOM 842 C HIS A 56 2.948 2.768 2.154 1.00 0.00 C ATOM 843 O HIS A 56 3.413 1.763 2.690 1.00 0.00 O ATOM 844 CB HIS A 56 2.029 4.517 3.689 1.00 0.00 C ATOM 845 CG HIS A 56 0.850 5.324 4.135 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.098 4.849 5.016 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.469 6.584 3.819 1.00 0.00 C ATOM 848 CE1 HIS A 56 -1.013 5.781 5.221 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.691 6.844 4.506 1.00 0.00 N ATOM 0 H HIS A 56 0.889 2.363 4.316 1.00 0.00 H new ATOM 0 HA HIS A 56 1.141 3.867 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.497 4.061 4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.767 5.183 3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.982 7.259 3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.876 5.689 5.863 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.218 7.716 4.470 1.00 0.00 H new ATOM 857 N LYS A 57 3.508 3.347 1.096 1.00 0.00 N ATOM 858 CA LYS A 57 4.727 2.823 0.494 1.00 0.00 C ATOM 859 C LYS A 57 5.837 2.699 1.531 1.00 0.00 C ATOM 860 O LYS A 57 6.764 1.903 1.372 1.00 0.00 O ATOM 861 CB LYS A 57 5.185 3.731 -0.651 1.00 0.00 C ATOM 862 CG LYS A 57 6.085 3.034 -1.658 1.00 0.00 C ATOM 863 CD LYS A 57 6.866 4.034 -2.493 1.00 0.00 C ATOM 864 CE LYS A 57 5.970 4.738 -3.501 1.00 0.00 C ATOM 865 NZ LYS A 57 6.750 5.611 -4.420 1.00 0.00 N ATOM 0 H LYS A 57 3.136 4.179 0.639 1.00 0.00 H new ATOM 0 HA LYS A 57 4.510 1.830 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.308 4.120 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.715 4.588 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.778 2.376 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.482 2.405 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.330 4.772 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.672 3.521 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.423 3.995 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.229 5.337 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.127 5.966 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.141 6.414 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.527 5.064 -4.842 1.00 0.00 H new ATOM 879 N LYS A 58 5.737 3.487 2.597 1.00 0.00 N ATOM 880 CA LYS A 58 6.731 3.463 3.663 1.00 0.00 C ATOM 881 C LYS A 58 6.299 2.527 4.787 1.00 0.00 C ATOM 882 O LYS A 58 7.134 1.981 5.510 1.00 0.00 O ATOM 883 CB LYS A 58 6.951 4.874 4.215 1.00 0.00 C ATOM 884 CG LYS A 58 5.717 5.468 4.873 1.00 0.00 C ATOM 885 CD LYS A 58 5.909 6.943 5.185 1.00 0.00 C ATOM 886 CE LYS A 58 4.684 7.532 5.867 1.00 0.00 C ATOM 887 NZ LYS A 58 3.476 7.454 5.000 1.00 0.00 N ATOM 0 H LYS A 58 4.977 4.151 2.745 1.00 0.00 H new ATOM 0 HA LYS A 58 7.667 3.093 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.763 4.849 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.270 5.527 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.857 5.343 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.497 4.926 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.781 7.070 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.111 7.488 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.497 7.000 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.878 8.573 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.898 8.308 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.767 7.384 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.918 6.615 5.257 1.00 0.00 H new ATOM 901 N CYS A 59 4.990 2.345 4.931 1.00 0.00 N ATOM 902 CA CYS A 59 4.447 1.475 5.966 1.00 0.00 C ATOM 903 C CYS A 59 4.762 0.011 5.667 1.00 0.00 C ATOM 904 O CYS A 59 4.665 -0.847 6.545 1.00 0.00 O ATOM 905 CB CYS A 59 2.934 1.669 6.084 1.00 0.00 C ATOM 906 SG CYS A 59 2.446 3.106 7.092 1.00 0.00 S ATOM 0 H CYS A 59 4.285 2.790 4.342 1.00 0.00 H new ATOM 0 HA CYS A 59 4.915 1.743 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.513 1.780 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.496 0.770 6.516 1.00 0.00 H new ATOM 911 N ILE A 60 5.137 -0.264 4.422 1.00 0.00 N ATOM 912 CA ILE A 60 5.466 -1.622 4.007 1.00 0.00 C ATOM 913 C ILE A 60 6.615 -2.187 4.837 1.00 0.00 C ATOM 914 O ILE A 60 6.596 -3.355 5.228 1.00 0.00 O ATOM 915 CB ILE A 60 5.848 -1.679 2.516 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.500 -3.049 1.931 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.328 -1.381 2.338 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.692 -3.131 0.432 1.00 0.00 C ATOM 0 H ILE A 60 5.220 0.435 3.684 1.00 0.00 H new ATOM 0 HA ILE A 60 4.573 -2.226 4.168 1.00 0.00 H new ATOM 0 HB ILE A 60 5.278 -0.921 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.118 -3.808 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.463 -3.285 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.583 -1.425 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.548 -0.385 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.916 -2.119 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.427 -4.130 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.054 -2.396 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.734 -2.927 0.187 1.00 0.00 H new ATOM 930 N ASP A 61 7.611 -1.351 5.103 1.00 0.00 N ATOM 931 CA ASP A 61 8.768 -1.765 5.888 1.00 0.00 C ATOM 932 C ASP A 61 8.464 -1.696 7.382 1.00 0.00 C ATOM 933 O ASP A 61 9.329 -1.964 8.216 1.00 0.00 O ATOM 934 CB ASP A 61 9.976 -0.886 5.560 1.00 0.00 C ATOM 935 CG ASP A 61 10.376 -0.974 4.100 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.243 -2.067 3.513 1.00 0.00 O ATOM 937 OD2 ASP A 61 10.821 0.052 3.545 1.00 0.00 O ATOM 0 H ASP A 61 7.641 -0.382 4.787 1.00 0.00 H new ATOM 0 HA ASP A 61 9.000 -2.798 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.746 0.150 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.819 -1.184 6.183 1.00 0.00 H new ATOM 942 N LYS A 62 7.229 -1.334 7.712 1.00 0.00 N ATOM 943 CA LYS A 62 6.809 -1.228 9.105 1.00 0.00 C ATOM 944 C LYS A 62 5.792 -2.311 9.450 1.00 0.00 C ATOM 945 O LYS A 62 5.226 -2.319 10.542 1.00 0.00 O ATOM 946 CB LYS A 62 6.210 0.154 9.375 1.00 0.00 C ATOM 947 CG LYS A 62 7.202 1.291 9.205 1.00 0.00 C ATOM 948 CD LYS A 62 8.059 1.473 10.446 1.00 0.00 C ATOM 949 CE LYS A 62 8.485 2.923 10.622 1.00 0.00 C ATOM 950 NZ LYS A 62 9.287 3.119 11.862 1.00 0.00 N ATOM 0 H LYS A 62 6.501 -1.109 7.034 1.00 0.00 H new ATOM 0 HA LYS A 62 7.688 -1.365 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.368 0.314 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.814 0.177 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.842 1.091 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.665 2.216 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.502 1.147 11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.943 0.839 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.070 3.237 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.601 3.560 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.558 4.120 11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.720 2.843 12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.144 2.531 11.818 1.00 0.00 H new ATOM 964 N ILE A 63 5.566 -3.224 8.511 1.00 0.00 N ATOM 965 CA ILE A 63 4.618 -4.313 8.717 1.00 0.00 C ATOM 966 C ILE A 63 5.198 -5.378 9.641 1.00 0.00 C ATOM 967 O ILE A 63 6.414 -5.565 9.703 1.00 0.00 O ATOM 968 CB ILE A 63 4.215 -4.969 7.384 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.364 -4.007 6.554 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.462 -6.266 7.638 1.00 0.00 C ATOM 971 CD1 ILE A 63 3.127 -4.479 5.136 1.00 0.00 C ATOM 0 H ILE A 63 6.026 -3.231 7.601 1.00 0.00 H new ATOM 0 HA ILE A 63 3.732 -3.877 9.179 1.00 0.00 H new ATOM 0 HB ILE A 63 5.120 -5.201 6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.402 -3.868 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.853 -3.033 6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.184 -6.718 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.099 -6.954 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.562 -6.057 8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.516 -3.748 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.083 -4.591 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.610 -5.439 5.154 1.00 0.00 H new ATOM 983 N ILE A 64 4.321 -6.076 10.355 1.00 0.00 N ATOM 984 CA ILE A 64 4.746 -7.125 11.273 1.00 0.00 C ATOM 985 C ILE A 64 3.747 -8.277 11.292 1.00 0.00 C ATOM 986 O ILE A 64 2.592 -8.104 11.676 1.00 0.00 O ATOM 987 CB ILE A 64 4.917 -6.584 12.706 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.977 -5.481 12.735 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.292 -7.712 13.655 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.971 -4.671 14.012 1.00 0.00 C ATOM 0 H ILE A 64 3.312 -5.934 10.315 1.00 0.00 H new ATOM 0 HA ILE A 64 5.709 -7.488 10.913 1.00 0.00 H new ATOM 0 HB ILE A 64 3.969 -6.158 13.034 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.961 -5.931 12.604 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.817 -4.812 11.889 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.410 -7.315 14.663 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.506 -8.467 13.651 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.230 -8.163 13.331 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.748 -3.908 13.963 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.999 -4.192 14.135 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.161 -5.328 14.861 1.00 0.00 H new ATOM 1002 N GLY A 65 4.202 -9.454 10.876 1.00 0.00 N ATOM 1003 CA GLY A 65 3.336 -10.619 10.854 1.00 0.00 C ATOM 1004 C GLY A 65 3.389 -11.357 9.530 1.00 0.00 C ATOM 1005 O GLY A 65 4.442 -11.434 8.897 1.00 0.00 O ATOM 0 H GLY A 65 5.155 -9.622 10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.625 -11.298 11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.310 -10.309 11.053 1.00 0.00 H new ATOM 1009 N ARG A 66 2.251 -11.900 9.113 1.00 0.00 N ATOM 1010 CA ARG A 66 2.172 -12.637 7.857 1.00 0.00 C ATOM 1011 C ARG A 66 0.840 -12.383 7.159 1.00 0.00 C ATOM 1012 O ARG A 66 -0.088 -11.828 7.751 1.00 0.00 O ATOM 1013 CB ARG A 66 2.350 -14.135 8.110 1.00 0.00 C ATOM 1014 CG ARG A 66 3.735 -14.509 8.613 1.00 0.00 C ATOM 1015 CD ARG A 66 3.868 -16.010 8.817 1.00 0.00 C ATOM 1016 NE ARG A 66 5.195 -16.381 9.299 1.00 0.00 N ATOM 1017 CZ ARG A 66 5.558 -17.632 9.562 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.697 -18.626 9.391 1.00 0.00 N ATOM 1019 NH2 ARG A 66 6.784 -17.890 9.998 1.00 0.00 N ATOM 0 H ARG A 66 1.371 -11.844 9.626 1.00 0.00 H new ATOM 0 HA ARG A 66 2.974 -12.286 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.608 -14.462 8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.150 -14.677 7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.486 -14.170 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.933 -13.994 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.116 -16.347 9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.667 -16.523 7.876 1.00 0.00 H new ATOM 0 HE ARG A 66 5.881 -15.640 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.753 -18.431 9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.979 -19.585 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.449 -17.128 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.062 -18.850 10.200 1.00 0.00 H new ATOM 1033 N CYS A 67 0.750 -12.791 5.898 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.467 -12.606 5.118 1.00 0.00 C ATOM 1035 C CYS A 67 -1.488 -13.694 5.438 1.00 0.00 C ATOM 1036 O CYS A 67 -1.129 -14.848 5.678 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.146 -12.616 3.622 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.559 -12.186 2.556 1.00 0.00 S ATOM 0 H CYS A 67 1.507 -13.253 5.394 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.896 -11.640 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.666 -11.915 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.216 -13.606 3.345 1.00 0.00 H new ATOM 1043 N THR A 68 -2.763 -13.320 5.440 1.00 0.00 N ATOM 1044 CA THR A 68 -3.837 -14.262 5.731 1.00 0.00 C ATOM 1045 C THR A 68 -4.838 -14.326 4.583 1.00 0.00 C ATOM 1046 O THR A 68 -6.037 -14.492 4.802 1.00 0.00 O ATOM 1047 CB THR A 68 -4.580 -13.884 7.026 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.577 -14.869 7.323 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.234 -12.517 6.895 1.00 0.00 C ATOM 0 H THR A 68 -3.078 -12.370 5.243 1.00 0.00 H new ATOM 0 HA THR A 68 -3.374 -15.240 5.860 1.00 0.00 H new ATOM 0 HB THR A 68 -3.854 -13.845 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.078 -15.083 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.753 -12.272 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.470 -11.765 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.949 -12.533 6.072 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.337 -14.193 3.358 1.00 0.00 N ATOM 1058 CA GLY A 69 -5.203 -14.238 2.194 1.00 0.00 C ATOM 1059 C GLY A 69 -4.729 -15.238 1.158 1.00 0.00 C ATOM 1060 O GLY A 69 -4.751 -14.958 -0.041 1.00 0.00 O ATOM 0 H GLY A 69 -3.348 -14.055 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.215 -14.496 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.252 -13.247 1.743 1.00 0.00 H new ATOM 1064 N THR A 70 -4.296 -16.407 1.620 1.00 0.00 N ATOM 1065 CA THR A 70 -3.811 -17.451 0.725 1.00 0.00 C ATOM 1066 C THR A 70 -4.603 -18.740 0.905 1.00 0.00 C ATOM 1067 O THR A 70 -5.037 -19.065 2.010 1.00 0.00 O ATOM 1068 CB THR A 70 -2.318 -17.741 0.960 1.00 0.00 C ATOM 1069 OG1 THR A 70 -2.114 -18.221 2.293 1.00 0.00 O ATOM 1070 CG2 THR A 70 -1.480 -16.492 0.733 1.00 0.00 C ATOM 0 H THR A 70 -4.271 -16.655 2.609 1.00 0.00 H new ATOM 0 HA THR A 70 -3.946 -17.085 -0.293 1.00 0.00 H new ATOM 0 HB THR A 70 -2.005 -18.504 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.161 -18.404 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.429 -16.723 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.612 -16.146 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.798 -15.710 1.423 1.00 0.00 H new ATOM 1078 N ALA A 71 -4.786 -19.474 -0.188 1.00 0.00 N ATOM 1079 CA ALA A 71 -5.524 -20.730 -0.149 1.00 0.00 C ATOM 1080 C ALA A 71 -4.604 -21.896 0.196 1.00 0.00 C ATOM 1081 O ALA A 71 -4.111 -22.594 -0.690 1.00 0.00 O ATOM 1082 CB ALA A 71 -6.215 -20.978 -1.482 1.00 0.00 C ATOM 0 H ALA A 71 -4.433 -19.220 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.281 -20.654 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.762 -21.920 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.909 -20.164 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.469 -21.029 -2.275 1.00 0.00 H new ATOM 1088 N ALA A 72 -4.376 -22.102 1.488 1.00 0.00 N ATOM 1089 CA ALA A 72 -3.516 -23.184 1.950 1.00 0.00 C ATOM 1090 C ALA A 72 -3.717 -23.447 3.439 1.00 0.00 C ATOM 1091 O ALA A 72 -3.591 -22.541 4.261 1.00 0.00 O ATOM 1092 CB ALA A 72 -2.058 -22.859 1.662 1.00 0.00 C ATOM 0 H ALA A 72 -4.775 -21.533 2.235 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.789 -24.089 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.427 -23.676 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.920 -22.728 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.781 -21.940 2.178 1.00 0.00 H new ATOM 1098 N ASN A 73 -4.029 -24.694 3.778 1.00 0.00 N ATOM 1099 CA ASN A 73 -4.248 -25.076 5.168 1.00 0.00 C ATOM 1100 C ASN A 73 -2.943 -25.033 5.956 1.00 0.00 C ATOM 1101 O ASN A 73 -2.074 -25.888 5.785 1.00 0.00 O ATOM 1102 CB ASN A 73 -4.857 -26.478 5.244 1.00 0.00 C ATOM 1103 CG ASN A 73 -3.838 -27.566 4.968 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -3.250 -28.130 5.891 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -3.624 -27.866 3.692 1.00 0.00 N ATOM 0 H ASN A 73 -4.136 -25.457 3.109 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.942 -24.361 5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.289 -26.631 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.672 -26.557 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.949 -28.590 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.134 -27.373 2.960 1.00 0.00 H new ATOM 1112 N SER A 74 -2.811 -24.032 6.821 1.00 0.00 N ATOM 1113 CA SER A 74 -1.611 -23.875 7.633 1.00 0.00 C ATOM 1114 C SER A 74 -1.862 -22.920 8.796 1.00 0.00 C ATOM 1115 O SER A 74 -2.028 -21.716 8.598 1.00 0.00 O ATOM 1116 CB SER A 74 -0.452 -23.361 6.776 1.00 0.00 C ATOM 1117 OG SER A 74 0.693 -23.103 7.569 1.00 0.00 O ATOM 0 H SER A 74 -3.522 -23.317 6.977 1.00 0.00 H new ATOM 0 HA SER A 74 -1.347 -24.852 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.209 -24.096 6.009 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.754 -22.450 6.260 1.00 0.00 H new ATOM 0 HG SER A 74 1.420 -22.777 6.998 1.00 0.00 H new ATOM 1123 N ARG A 75 -1.889 -23.466 10.007 1.00 0.00 N ATOM 1124 CA ARG A 75 -2.121 -22.662 11.201 1.00 0.00 C ATOM 1125 C ARG A 75 -1.447 -23.290 12.418 1.00 0.00 C ATOM 1126 O ARG A 75 -0.822 -24.346 12.318 1.00 0.00 O ATOM 1127 CB ARG A 75 -3.622 -22.511 11.457 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.263 -21.381 10.669 1.00 0.00 C ATOM 1129 CD ARG A 75 -5.778 -21.392 10.812 1.00 0.00 C ATOM 1130 NE ARG A 75 -6.359 -22.659 10.376 1.00 0.00 N ATOM 1131 CZ ARG A 75 -7.646 -22.962 10.509 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -8.481 -22.093 11.061 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -8.100 -24.136 10.088 1.00 0.00 N ATOM 0 H ARG A 75 -1.753 -24.461 10.187 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.687 -21.676 11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.121 -23.447 11.205 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.785 -22.339 12.521 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.870 -20.425 11.016 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.995 -21.472 9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.045 -21.210 11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.203 -20.577 10.226 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.743 -23.349 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.136 -21.189 11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.468 -22.328 11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.461 -24.807 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.088 -24.367 10.191 1.00 0.00 H new ATOM 1147 N ASP A 76 -1.580 -22.635 13.565 1.00 0.00 N ATOM 1148 CA ASP A 76 -0.985 -23.128 14.802 1.00 0.00 C ATOM 1149 C ASP A 76 -2.027 -23.204 15.914 1.00 0.00 C ATOM 1150 O ASP A 76 -2.849 -22.301 16.072 1.00 0.00 O ATOM 1151 CB ASP A 76 0.173 -22.226 15.231 1.00 0.00 C ATOM 1152 CG ASP A 76 -0.288 -21.056 16.078 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -0.965 -20.160 15.533 1.00 0.00 O ATOM 1154 OD2 ASP A 76 0.030 -21.036 17.286 1.00 0.00 O ATOM 0 H ASP A 76 -2.095 -21.760 13.665 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.603 -24.132 14.618 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.899 -22.814 15.793 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.685 -21.850 14.345 1.00 0.00 H new ATOM 1159 N THR A 77 -1.987 -24.288 16.683 1.00 0.00 N ATOM 1160 CA THR A 77 -2.928 -24.483 17.778 1.00 0.00 C ATOM 1161 C THR A 77 -3.275 -23.158 18.447 1.00 0.00 C ATOM 1162 O THR A 77 -2.465 -22.590 19.179 1.00 0.00 O ATOM 1163 CB THR A 77 -2.365 -25.449 18.838 1.00 0.00 C ATOM 1164 OG1 THR A 77 -3.001 -25.218 20.099 1.00 0.00 O ATOM 1165 CG2 THR A 77 -0.860 -25.275 18.983 1.00 0.00 C ATOM 0 H THR A 77 -1.312 -25.044 16.567 1.00 0.00 H new ATOM 0 HA THR A 77 -3.830 -24.916 17.346 1.00 0.00 H new ATOM 0 HB THR A 77 -2.567 -26.469 18.512 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.638 -25.837 20.767 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.485 -25.967 19.737 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.376 -25.481 18.028 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.640 -24.252 19.288 1.00 0.00 H new ATOM 1173 N SER A 78 -4.485 -22.671 18.192 1.00 0.00 N ATOM 1174 CA SER A 78 -4.938 -21.411 18.769 1.00 0.00 C ATOM 1175 C SER A 78 -6.412 -21.169 18.456 1.00 0.00 C ATOM 1176 O SER A 78 -6.917 -21.597 17.419 1.00 0.00 O ATOM 1177 CB SER A 78 -4.095 -20.250 18.237 1.00 0.00 C ATOM 1178 OG SER A 78 -4.224 -19.106 19.062 1.00 0.00 O ATOM 0 H SER A 78 -5.169 -23.130 17.590 1.00 0.00 H new ATOM 0 HA SER A 78 -4.819 -21.472 19.851 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.048 -20.550 18.187 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.406 -20.006 17.221 1.00 0.00 H new ATOM 0 HG SER A 78 -3.674 -18.379 18.702 1.00 0.00 H new ATOM 1184 N GLY A 79 -7.098 -20.477 19.362 1.00 0.00 N ATOM 1185 CA GLY A 79 -8.507 -20.191 19.166 1.00 0.00 C ATOM 1186 C GLY A 79 -9.044 -19.204 20.183 1.00 0.00 C ATOM 1187 O GLY A 79 -9.977 -19.498 20.931 1.00 0.00 O ATOM 0 H GLY A 79 -6.703 -20.110 20.228 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.658 -19.793 18.163 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.075 -21.119 19.229 1.00 0.00 H new ATOM 1191 N PRO A 80 -8.447 -18.003 20.224 1.00 0.00 N ATOM 1192 CA PRO A 80 -8.855 -16.948 21.154 1.00 0.00 C ATOM 1193 C PRO A 80 -10.222 -16.366 20.808 1.00 0.00 C ATOM 1194 O PRO A 80 -11.099 -16.266 21.665 1.00 0.00 O ATOM 1195 CB PRO A 80 -7.764 -15.886 20.986 1.00 0.00 C ATOM 1196 CG PRO A 80 -7.230 -16.106 19.613 1.00 0.00 C ATOM 1197 CD PRO A 80 -7.328 -17.585 19.362 1.00 0.00 C ATOM 0 HA PRO A 80 -8.954 -17.320 22.174 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.170 -14.880 21.097 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.983 -15.999 21.738 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.806 -15.546 18.876 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.198 -15.765 19.537 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.526 -17.802 18.312 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.404 -18.100 19.625 1.00 0.00 H new ATOM 1205 N SER A 81 -10.395 -15.983 19.547 1.00 0.00 N ATOM 1206 CA SER A 81 -11.654 -15.408 19.088 1.00 0.00 C ATOM 1207 C SER A 81 -11.628 -15.173 17.582 1.00 0.00 C ATOM 1208 O SER A 81 -10.564 -14.984 16.991 1.00 0.00 O ATOM 1209 CB SER A 81 -11.934 -14.092 19.816 1.00 0.00 C ATOM 1210 OG SER A 81 -13.324 -13.829 19.879 1.00 0.00 O ATOM 0 H SER A 81 -9.679 -16.061 18.825 1.00 0.00 H new ATOM 0 HA SER A 81 -12.451 -16.117 19.313 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.523 -14.136 20.825 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.429 -13.274 19.302 1.00 0.00 H new ATOM 0 HG SER A 81 -13.476 -12.983 20.351 1.00 0.00 H new ATOM 1216 N SER A 82 -12.805 -15.187 16.966 1.00 0.00 N ATOM 1217 CA SER A 82 -12.918 -14.979 15.526 1.00 0.00 C ATOM 1218 C SER A 82 -13.528 -13.614 15.221 1.00 0.00 C ATOM 1219 O SER A 82 -14.239 -13.041 16.045 1.00 0.00 O ATOM 1220 CB SER A 82 -13.769 -16.083 14.896 1.00 0.00 C ATOM 1221 OG SER A 82 -15.146 -15.882 15.165 1.00 0.00 O ATOM 0 H SER A 82 -13.695 -15.340 17.441 1.00 0.00 H new ATOM 0 HA SER A 82 -11.916 -15.014 15.098 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.605 -16.103 13.819 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.457 -17.053 15.284 1.00 0.00 H new ATOM 0 HG SER A 82 -15.669 -16.600 14.750 1.00 0.00 H new ATOM 1227 N GLY A 83 -13.241 -13.099 14.029 1.00 0.00 N ATOM 1228 CA GLY A 83 -13.768 -11.805 13.634 1.00 0.00 C ATOM 1229 C GLY A 83 -13.253 -11.358 12.281 1.00 0.00 C ATOM 1230 O GLY A 83 -12.269 -11.918 11.799 1.00 0.00 O ATOM 0 H GLY A 83 -12.654 -13.554 13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.857 -11.852 13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.499 -11.062 14.385 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.768 -9.816 2.372 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.266 3.771 6.600 1.00 0.00 ZN