USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 180:sc= -0.802 USER MOD Set 1.2: A 45 GLN : amide:sc= -4.8! K(o=-5.6!,f=-1.2) 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 -53:sc= 0.438 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= 1.66 (180deg=-0.0419) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -62:sc= 0.0282 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0765) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -11:sc= 0.433 USER MOD Single : A 49 TYR OH : rot -11:sc= -0.2 USER MOD Single : A 52 GLN : amide:sc= 0.574 K(o=0.57,f=-0.35) USER MOD Single : A 53 TYR OH : rot 75:sc= 0.113 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.731 K(o=-0.73,f=-3!) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0868) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 1:sc= 0.334 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 68 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.42) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.118 (180deg=-0.712) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.950 10.473 4.459 1.00 0.00 N ATOM 2 CA GLY A 1 -10.432 11.469 3.520 1.00 0.00 C ATOM 3 C GLY A 1 -10.000 11.180 2.096 1.00 0.00 C ATOM 4 O GLY A 1 -8.926 11.603 1.668 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.272 10.715 5.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.322 9.538 4.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.910 10.451 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.520 11.510 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.064 12.451 3.816 1.00 0.00 H new ATOM 8 N SER A 2 -10.837 10.457 1.360 1.00 0.00 N ATOM 9 CA SER A 2 -10.533 10.107 -0.023 1.00 0.00 C ATOM 10 C SER A 2 -11.037 11.184 -0.979 1.00 0.00 C ATOM 11 O SER A 2 -12.222 11.519 -0.986 1.00 0.00 O ATOM 12 CB SER A 2 -11.161 8.758 -0.380 1.00 0.00 C ATOM 13 OG SER A 2 -10.303 7.687 -0.026 1.00 0.00 O ATOM 0 H SER A 2 -11.731 10.102 1.698 1.00 0.00 H new ATOM 0 HA SER A 2 -9.450 10.034 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.115 8.650 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.371 8.722 -1.449 1.00 0.00 H new ATOM 0 HG SER A 2 -10.727 6.836 -0.263 1.00 0.00 H new ATOM 19 N SER A 3 -10.128 11.723 -1.785 1.00 0.00 N ATOM 20 CA SER A 3 -10.478 12.765 -2.743 1.00 0.00 C ATOM 21 C SER A 3 -9.819 12.504 -4.094 1.00 0.00 C ATOM 22 O SER A 3 -8.868 11.730 -4.195 1.00 0.00 O ATOM 23 CB SER A 3 -10.056 14.137 -2.213 1.00 0.00 C ATOM 24 OG SER A 3 -10.848 14.521 -1.103 1.00 0.00 O ATOM 0 H SER A 3 -9.144 11.455 -1.794 1.00 0.00 H new ATOM 0 HA SER A 3 -11.560 12.753 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.006 14.111 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.149 14.880 -3.005 1.00 0.00 H new ATOM 0 HG SER A 3 -10.557 15.400 -0.782 1.00 0.00 H new ATOM 30 N GLY A 4 -10.332 13.158 -5.132 1.00 0.00 N ATOM 31 CA GLY A 4 -9.782 12.984 -6.464 1.00 0.00 C ATOM 32 C GLY A 4 -9.942 11.566 -6.977 1.00 0.00 C ATOM 33 O GLY A 4 -9.154 10.684 -6.638 1.00 0.00 O ATOM 0 H GLY A 4 -11.118 13.805 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.275 13.673 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.724 13.246 -6.454 1.00 0.00 H new ATOM 37 N SER A 5 -10.967 11.347 -7.795 1.00 0.00 N ATOM 38 CA SER A 5 -11.231 10.025 -8.351 1.00 0.00 C ATOM 39 C SER A 5 -12.187 10.116 -9.537 1.00 0.00 C ATOM 40 O SER A 5 -13.209 10.799 -9.474 1.00 0.00 O ATOM 41 CB SER A 5 -11.818 9.105 -7.279 1.00 0.00 C ATOM 42 OG SER A 5 -12.172 7.847 -7.825 1.00 0.00 O ATOM 0 H SER A 5 -11.627 12.067 -8.087 1.00 0.00 H new ATOM 0 HA SER A 5 -10.285 9.609 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.092 8.966 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.697 9.573 -6.835 1.00 0.00 H new ATOM 0 HG SER A 5 -12.543 7.277 -7.119 1.00 0.00 H new ATOM 48 N SER A 6 -11.846 9.422 -10.618 1.00 0.00 N ATOM 49 CA SER A 6 -12.670 9.427 -11.821 1.00 0.00 C ATOM 50 C SER A 6 -13.610 8.225 -11.840 1.00 0.00 C ATOM 51 O SER A 6 -13.796 7.585 -12.874 1.00 0.00 O ATOM 52 CB SER A 6 -11.787 9.418 -13.070 1.00 0.00 C ATOM 53 OG SER A 6 -12.560 9.610 -14.242 1.00 0.00 O ATOM 0 H SER A 6 -11.005 8.849 -10.685 1.00 0.00 H new ATOM 0 HA SER A 6 -13.271 10.337 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.035 10.204 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.252 8.470 -13.134 1.00 0.00 H new ATOM 0 HG SER A 6 -13.291 8.958 -14.262 1.00 0.00 H new ATOM 59 N GLY A 7 -14.200 7.925 -10.687 1.00 0.00 N ATOM 60 CA GLY A 7 -15.114 6.801 -10.592 1.00 0.00 C ATOM 61 C GLY A 7 -14.452 5.563 -10.020 1.00 0.00 C ATOM 62 O GLY A 7 -14.971 4.947 -9.090 1.00 0.00 O ATOM 0 H GLY A 7 -14.062 8.440 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.962 7.078 -9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.510 6.573 -11.582 1.00 0.00 H new ATOM 66 N TYR A 8 -13.303 5.197 -10.578 1.00 0.00 N ATOM 67 CA TYR A 8 -12.571 4.022 -10.121 1.00 0.00 C ATOM 68 C TYR A 8 -11.071 4.200 -10.329 1.00 0.00 C ATOM 69 O TYR A 8 -10.607 4.389 -11.454 1.00 0.00 O ATOM 70 CB TYR A 8 -13.056 2.774 -10.860 1.00 0.00 C ATOM 71 CG TYR A 8 -12.914 1.501 -10.056 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.734 1.252 -8.962 1.00 0.00 C ATOM 73 CD2 TYR A 8 -11.961 0.548 -10.390 1.00 0.00 C ATOM 74 CE1 TYR A 8 -13.607 0.091 -8.224 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.828 -0.617 -9.659 1.00 0.00 C ATOM 76 CZ TYR A 8 -12.654 -0.841 -8.577 1.00 0.00 C ATOM 77 OH TYR A 8 -12.524 -1.999 -7.846 1.00 0.00 O ATOM 0 H TYR A 8 -12.859 5.698 -11.348 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.759 3.900 -9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.103 2.907 -11.132 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.496 2.671 -11.789 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.483 1.978 -8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.312 0.720 -11.236 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.251 -0.086 -7.375 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.082 -1.348 -9.933 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.808 -2.548 -8.228 1.00 0.00 H new ATOM 87 N SER A 9 -10.316 4.136 -9.237 1.00 0.00 N ATOM 88 CA SER A 9 -8.868 4.292 -9.298 1.00 0.00 C ATOM 89 C SER A 9 -8.164 3.068 -8.719 1.00 0.00 C ATOM 90 O SER A 9 -8.699 2.386 -7.844 1.00 0.00 O ATOM 91 CB SER A 9 -8.437 5.549 -8.538 1.00 0.00 C ATOM 92 OG SER A 9 -8.674 6.715 -9.307 1.00 0.00 O ATOM 0 H SER A 9 -10.684 3.977 -8.299 1.00 0.00 H new ATOM 0 HA SER A 9 -8.582 4.392 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.982 5.613 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.378 5.482 -8.289 1.00 0.00 H new ATOM 0 HG SER A 9 -8.392 7.505 -8.799 1.00 0.00 H new ATOM 98 N VAL A 10 -6.961 2.796 -9.213 1.00 0.00 N ATOM 99 CA VAL A 10 -6.182 1.656 -8.746 1.00 0.00 C ATOM 100 C VAL A 10 -5.215 2.066 -7.641 1.00 0.00 C ATOM 101 O VAL A 10 -4.245 2.785 -7.885 1.00 0.00 O ATOM 102 CB VAL A 10 -5.387 1.010 -9.895 1.00 0.00 C ATOM 103 CG1 VAL A 10 -6.316 0.244 -10.824 1.00 0.00 C ATOM 104 CG2 VAL A 10 -4.606 2.067 -10.662 1.00 0.00 C ATOM 0 H VAL A 10 -6.504 3.350 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.892 0.929 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.676 0.303 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.735 -0.205 -11.630 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.826 -0.540 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.053 0.927 -11.246 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.050 1.593 -11.471 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.297 2.800 -11.078 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.911 2.566 -9.987 1.00 0.00 H new ATOM 114 N LYS A 11 -5.485 1.605 -6.424 1.00 0.00 N ATOM 115 CA LYS A 11 -4.638 1.922 -5.280 1.00 0.00 C ATOM 116 C LYS A 11 -4.548 0.736 -4.325 1.00 0.00 C ATOM 117 O LYS A 11 -5.522 0.009 -4.130 1.00 0.00 O ATOM 118 CB LYS A 11 -5.183 3.146 -4.541 1.00 0.00 C ATOM 119 CG LYS A 11 -4.143 3.855 -3.690 1.00 0.00 C ATOM 120 CD LYS A 11 -3.335 4.848 -4.508 1.00 0.00 C ATOM 121 CE LYS A 11 -2.535 5.785 -3.617 1.00 0.00 C ATOM 122 NZ LYS A 11 -1.700 6.728 -4.411 1.00 0.00 N ATOM 0 H LYS A 11 -6.284 1.010 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.637 2.144 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.586 3.850 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.012 2.836 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.637 4.375 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.473 3.119 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.658 4.309 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.005 5.430 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.216 6.350 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.894 5.200 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.170 7.349 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.033 6.190 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.313 7.305 -5.022 1.00 0.00 H new ATOM 136 N TRP A 12 -3.374 0.548 -3.733 1.00 0.00 N ATOM 137 CA TRP A 12 -3.158 -0.549 -2.796 1.00 0.00 C ATOM 138 C TRP A 12 -3.094 -0.036 -1.362 1.00 0.00 C ATOM 139 O TRP A 12 -3.175 1.168 -1.118 1.00 0.00 O ATOM 140 CB TRP A 12 -1.869 -1.295 -3.142 1.00 0.00 C ATOM 141 CG TRP A 12 -2.038 -2.292 -4.249 1.00 0.00 C ATOM 142 CD1 TRP A 12 -2.788 -2.141 -5.380 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.445 -3.593 -4.328 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.697 -3.270 -6.158 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.879 -4.175 -5.535 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.589 -4.322 -3.499 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.486 -5.451 -5.929 1.00 0.00 C ATOM 148 CZ3 TRP A 12 -0.200 -5.588 -3.891 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.647 -6.142 -5.098 1.00 0.00 C ATOM 0 H TRP A 12 -2.558 1.140 -3.885 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.001 -1.236 -2.878 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.105 -0.572 -3.427 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.505 -1.809 -2.252 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.367 -1.264 -5.627 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.163 -3.411 -7.054 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.237 -3.903 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.831 -5.880 -6.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.460 -6.161 -3.256 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.323 -7.134 -5.378 1.00 0.00 H new ATOM 160 N THR A 13 -2.949 -0.957 -0.414 1.00 0.00 N ATOM 161 CA THR A 13 -2.876 -0.598 0.996 1.00 0.00 C ATOM 162 C THR A 13 -1.495 -0.897 1.568 1.00 0.00 C ATOM 163 O THR A 13 -0.874 -1.902 1.222 1.00 0.00 O ATOM 164 CB THR A 13 -3.935 -1.350 1.824 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.180 -2.639 1.251 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.235 -0.561 1.883 1.00 0.00 C ATOM 0 H THR A 13 -2.880 -1.958 -0.598 1.00 0.00 H new ATOM 0 HA THR A 13 -3.070 0.473 1.059 1.00 0.00 H new ATOM 0 HB THR A 13 -3.554 -1.470 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.853 -3.111 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.968 -1.111 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.051 0.409 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.618 -0.415 0.873 1.00 0.00 H new ATOM 174 N ILE A 14 -1.020 -0.019 2.445 1.00 0.00 N ATOM 175 CA ILE A 14 0.287 -0.190 3.067 1.00 0.00 C ATOM 176 C ILE A 14 0.441 -1.593 3.644 1.00 0.00 C ATOM 177 O ILE A 14 1.541 -2.143 3.679 1.00 0.00 O ATOM 178 CB ILE A 14 0.519 0.842 4.186 1.00 0.00 C ATOM 179 CG1 ILE A 14 0.454 2.262 3.621 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.858 0.596 4.864 1.00 0.00 C ATOM 181 CD1 ILE A 14 0.288 3.328 4.681 1.00 0.00 C ATOM 0 H ILE A 14 -1.521 0.819 2.741 1.00 0.00 H new ATOM 0 HA ILE A 14 1.031 -0.037 2.285 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.269 0.732 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.365 2.462 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.377 2.327 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.007 1.334 5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.869 -0.405 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.659 0.683 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.250 4.309 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.637 3.154 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.132 3.290 5.370 1.00 0.00 H new ATOM 193 N GLU A 15 -0.670 -2.167 4.096 1.00 0.00 N ATOM 194 CA GLU A 15 -0.658 -3.506 4.671 1.00 0.00 C ATOM 195 C GLU A 15 -0.284 -4.547 3.619 1.00 0.00 C ATOM 196 O GLU A 15 0.392 -5.531 3.918 1.00 0.00 O ATOM 197 CB GLU A 15 -2.025 -3.840 5.272 1.00 0.00 C ATOM 198 CG GLU A 15 -2.984 -4.481 4.282 1.00 0.00 C ATOM 199 CD GLU A 15 -4.438 -4.236 4.637 1.00 0.00 C ATOM 200 OE1 GLU A 15 -4.752 -3.125 5.116 1.00 0.00 O ATOM 201 OE2 GLU A 15 -5.261 -5.153 4.437 1.00 0.00 O ATOM 0 H GLU A 15 -1.589 -1.725 4.075 1.00 0.00 H new ATOM 0 HA GLU A 15 0.093 -3.527 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.886 -4.513 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.475 -2.927 5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.786 -4.089 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.799 -5.554 4.245 1.00 0.00 H new ATOM 208 N GLU A 16 -0.731 -4.321 2.388 1.00 0.00 N ATOM 209 CA GLU A 16 -0.444 -5.240 1.292 1.00 0.00 C ATOM 210 C GLU A 16 0.909 -4.928 0.660 1.00 0.00 C ATOM 211 O GLU A 16 1.774 -5.797 0.556 1.00 0.00 O ATOM 212 CB GLU A 16 -1.545 -5.163 0.232 1.00 0.00 C ATOM 213 CG GLU A 16 -2.780 -5.980 0.576 1.00 0.00 C ATOM 214 CD GLU A 16 -3.911 -5.771 -0.412 1.00 0.00 C ATOM 215 OE1 GLU A 16 -3.913 -4.728 -1.099 1.00 0.00 O ATOM 216 OE2 GLU A 16 -4.794 -6.649 -0.497 1.00 0.00 O ATOM 0 H GLU A 16 -1.292 -3.511 2.124 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.410 -6.251 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.835 -4.121 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.145 -5.509 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.516 -7.037 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.122 -5.712 1.576 1.00 0.00 H new ATOM 223 N LYS A 17 1.084 -3.680 0.237 1.00 0.00 N ATOM 224 CA LYS A 17 2.331 -3.251 -0.385 1.00 0.00 C ATOM 225 C LYS A 17 3.535 -3.769 0.395 1.00 0.00 C ATOM 226 O LYS A 17 4.502 -4.255 -0.190 1.00 0.00 O ATOM 227 CB LYS A 17 2.383 -1.723 -0.469 1.00 0.00 C ATOM 228 CG LYS A 17 1.547 -1.147 -1.599 1.00 0.00 C ATOM 229 CD LYS A 17 1.758 0.350 -1.742 1.00 0.00 C ATOM 230 CE LYS A 17 0.921 1.130 -0.739 1.00 0.00 C ATOM 231 NZ LYS A 17 1.042 2.600 -0.939 1.00 0.00 N ATOM 0 H LYS A 17 0.378 -2.948 0.314 1.00 0.00 H new ATOM 0 HA LYS A 17 2.367 -3.666 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.039 -1.304 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.419 -1.410 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.807 -1.643 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.492 -1.350 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.813 0.585 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.497 0.660 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.124 0.836 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.235 0.874 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.457 3.095 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.036 2.885 -0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.718 2.848 -1.896 1.00 0.00 H new ATOM 245 N GLU A 18 3.468 -3.662 1.718 1.00 0.00 N ATOM 246 CA GLU A 18 4.553 -4.121 2.577 1.00 0.00 C ATOM 247 C GLU A 18 4.829 -5.605 2.359 1.00 0.00 C ATOM 248 O GLU A 18 5.977 -6.049 2.410 1.00 0.00 O ATOM 249 CB GLU A 18 4.213 -3.865 4.047 1.00 0.00 C ATOM 250 CG GLU A 18 3.285 -4.908 4.648 1.00 0.00 C ATOM 251 CD GLU A 18 4.033 -6.108 5.195 1.00 0.00 C ATOM 252 OE1 GLU A 18 5.192 -6.323 4.784 1.00 0.00 O ATOM 253 OE2 GLU A 18 3.458 -6.832 6.035 1.00 0.00 O ATOM 0 H GLU A 18 2.674 -3.262 2.218 1.00 0.00 H new ATOM 0 HA GLU A 18 5.450 -3.560 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.137 -3.836 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.749 -2.883 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.702 -4.452 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.578 -5.241 3.888 1.00 0.00 H new ATOM 260 N LEU A 19 3.769 -6.368 2.115 1.00 0.00 N ATOM 261 CA LEU A 19 3.896 -7.804 1.889 1.00 0.00 C ATOM 262 C LEU A 19 4.465 -8.089 0.502 1.00 0.00 C ATOM 263 O LEU A 19 5.249 -9.021 0.321 1.00 0.00 O ATOM 264 CB LEU A 19 2.536 -8.487 2.044 1.00 0.00 C ATOM 265 CG LEU A 19 1.939 -8.480 3.452 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.449 -8.781 3.401 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.657 -9.484 4.341 1.00 0.00 C ATOM 0 H LEU A 19 2.813 -6.017 2.069 1.00 0.00 H new ATOM 0 HA LEU A 19 4.584 -8.204 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.830 -8.004 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.632 -9.522 1.717 1.00 0.00 H new ATOM 0 HG LEU A 19 2.074 -7.486 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.041 -8.772 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.055 -8.024 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.291 -9.763 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.219 -9.465 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.554 -10.483 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.714 -9.224 4.404 1.00 0.00 H new ATOM 279 N PHE A 20 4.067 -7.278 -0.473 1.00 0.00 N ATOM 280 CA PHE A 20 4.539 -7.442 -1.843 1.00 0.00 C ATOM 281 C PHE A 20 6.057 -7.308 -1.916 1.00 0.00 C ATOM 282 O PHE A 20 6.732 -8.122 -2.544 1.00 0.00 O ATOM 283 CB PHE A 20 3.880 -6.408 -2.759 1.00 0.00 C ATOM 284 CG PHE A 20 4.629 -6.177 -4.040 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.631 -5.222 -4.110 1.00 0.00 C ATOM 286 CD2 PHE A 20 4.332 -6.916 -5.174 1.00 0.00 C ATOM 287 CE1 PHE A 20 6.323 -5.008 -5.287 1.00 0.00 C ATOM 288 CE2 PHE A 20 5.021 -6.706 -6.354 1.00 0.00 C ATOM 289 CZ PHE A 20 6.017 -5.750 -6.411 1.00 0.00 C ATOM 0 H PHE A 20 3.419 -6.501 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 20 4.264 -8.442 -2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.867 -6.736 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.793 -5.463 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.874 -4.638 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.554 -7.664 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.102 -4.261 -5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.781 -7.289 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.555 -5.583 -7.332 1.00 0.00 H new ATOM 299 N GLU A 21 6.586 -6.274 -1.268 1.00 0.00 N ATOM 300 CA GLU A 21 8.024 -6.033 -1.261 1.00 0.00 C ATOM 301 C GLU A 21 8.757 -7.137 -0.506 1.00 0.00 C ATOM 302 O GLU A 21 9.797 -7.622 -0.951 1.00 0.00 O ATOM 303 CB GLU A 21 8.332 -4.675 -0.627 1.00 0.00 C ATOM 304 CG GLU A 21 8.334 -3.525 -1.620 1.00 0.00 C ATOM 305 CD GLU A 21 8.147 -2.176 -0.952 1.00 0.00 C ATOM 306 OE1 GLU A 21 8.929 -1.855 -0.033 1.00 0.00 O ATOM 307 OE2 GLU A 21 7.218 -1.442 -1.350 1.00 0.00 O ATOM 0 H GLU A 21 6.041 -5.591 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 21 8.372 -6.031 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.596 -4.471 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.305 -4.724 -0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.275 -3.526 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.539 -3.678 -2.349 1.00 0.00 H new ATOM 314 N GLN A 22 8.207 -7.529 0.639 1.00 0.00 N ATOM 315 CA GLN A 22 8.809 -8.575 1.457 1.00 0.00 C ATOM 316 C GLN A 22 9.206 -9.773 0.602 1.00 0.00 C ATOM 317 O GLN A 22 10.364 -10.189 0.597 1.00 0.00 O ATOM 318 CB GLN A 22 7.839 -9.015 2.555 1.00 0.00 C ATOM 319 CG GLN A 22 8.519 -9.705 3.727 1.00 0.00 C ATOM 320 CD GLN A 22 7.585 -10.631 4.480 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.045 -10.271 5.527 1.00 0.00 O ATOM 322 NE2 GLN A 22 7.389 -11.833 3.951 1.00 0.00 N ATOM 0 H GLN A 22 7.346 -7.138 1.021 1.00 0.00 H new ATOM 0 HA GLN A 22 9.708 -8.168 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.298 -8.142 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.099 -9.691 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.374 -10.275 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.907 -8.951 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.857 -12.090 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.771 -12.499 4.414 1.00 0.00 H new ATOM 331 N GLY A 23 8.236 -10.326 -0.121 1.00 0.00 N ATOM 332 CA GLY A 23 8.505 -11.472 -0.969 1.00 0.00 C ATOM 333 C GLY A 23 9.313 -11.107 -2.198 1.00 0.00 C ATOM 334 O GLY A 23 10.225 -11.837 -2.590 1.00 0.00 O ATOM 0 H GLY A 23 7.269 -10.000 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.043 -12.226 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.561 -11.920 -1.279 1.00 0.00 H new ATOM 338 N LEU A 24 8.979 -9.976 -2.810 1.00 0.00 N ATOM 339 CA LEU A 24 9.681 -9.516 -4.003 1.00 0.00 C ATOM 340 C LEU A 24 11.191 -9.637 -3.828 1.00 0.00 C ATOM 341 O LEU A 24 11.919 -9.883 -4.790 1.00 0.00 O ATOM 342 CB LEU A 24 9.306 -8.065 -4.310 1.00 0.00 C ATOM 343 CG LEU A 24 9.665 -7.561 -5.709 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.594 -7.960 -6.711 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.853 -6.050 -5.700 1.00 0.00 C ATOM 0 H LEU A 24 8.227 -9.361 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 24 9.380 -10.148 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.231 -7.951 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.794 -7.422 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 24 10.605 -8.023 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.867 -7.593 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.508 -9.046 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.639 -7.527 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.108 -5.709 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.929 -5.570 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.657 -5.787 -5.012 1.00 0.00 H new ATOM 357 N ALA A 25 11.655 -9.466 -2.595 1.00 0.00 N ATOM 358 CA ALA A 25 13.077 -9.560 -2.293 1.00 0.00 C ATOM 359 C ALA A 25 13.519 -11.016 -2.179 1.00 0.00 C ATOM 360 O ALA A 25 14.637 -11.367 -2.554 1.00 0.00 O ATOM 361 CB ALA A 25 13.396 -8.808 -1.010 1.00 0.00 C ATOM 0 H ALA A 25 11.066 -9.261 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 25 13.628 -9.103 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.462 -8.887 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.126 -7.758 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.828 -9.239 -0.185 1.00 0.00 H new ATOM 367 N LYS A 26 12.633 -11.858 -1.659 1.00 0.00 N ATOM 368 CA LYS A 26 12.930 -13.277 -1.496 1.00 0.00 C ATOM 369 C LYS A 26 12.728 -14.029 -2.807 1.00 0.00 C ATOM 370 O LYS A 26 13.673 -14.584 -3.368 1.00 0.00 O ATOM 371 CB LYS A 26 12.043 -13.882 -0.405 1.00 0.00 C ATOM 372 CG LYS A 26 12.370 -15.332 -0.091 1.00 0.00 C ATOM 373 CD LYS A 26 11.572 -16.285 -0.965 1.00 0.00 C ATOM 374 CE LYS A 26 12.091 -17.710 -0.853 1.00 0.00 C ATOM 375 NZ LYS A 26 11.157 -18.691 -1.472 1.00 0.00 N ATOM 0 H LYS A 26 11.703 -11.583 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 26 13.975 -13.373 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.145 -13.290 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.001 -13.812 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.436 -15.506 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.157 -15.535 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.522 -16.255 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.624 -15.958 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.065 -17.781 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.238 -17.961 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.777 -19.320 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.375 -18.183 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.667 -19.256 -2.181 1.00 0.00 H new ATOM 389 N PHE A 27 11.490 -14.044 -3.290 1.00 0.00 N ATOM 390 CA PHE A 27 11.164 -14.729 -4.536 1.00 0.00 C ATOM 391 C PHE A 27 11.716 -13.966 -5.736 1.00 0.00 C ATOM 392 O PHE A 27 12.012 -14.553 -6.776 1.00 0.00 O ATOM 393 CB PHE A 27 9.648 -14.889 -4.672 1.00 0.00 C ATOM 394 CG PHE A 27 8.993 -15.463 -3.448 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.005 -16.829 -3.216 1.00 0.00 C ATOM 396 CD2 PHE A 27 8.367 -14.636 -2.530 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.403 -17.359 -2.091 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.763 -15.161 -1.403 1.00 0.00 C ATOM 399 CZ PHE A 27 7.782 -16.524 -1.183 1.00 0.00 C ATOM 0 H PHE A 27 10.696 -13.590 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 27 11.626 -15.716 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.206 -13.916 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.434 -15.533 -5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.490 -17.487 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.351 -13.569 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.418 -18.426 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.277 -14.506 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.312 -16.936 -0.302 1.00 0.00 H new ATOM 409 N GLY A 28 11.851 -12.652 -5.584 1.00 0.00 N ATOM 410 CA GLY A 28 12.367 -11.829 -6.662 1.00 0.00 C ATOM 411 C GLY A 28 11.270 -11.084 -7.397 1.00 0.00 C ATOM 412 O GLY A 28 10.744 -10.090 -6.898 1.00 0.00 O ATOM 0 H GLY A 28 11.612 -12.143 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.081 -11.112 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.911 -12.458 -7.367 1.00 0.00 H new ATOM 416 N ARG A 29 10.927 -11.563 -8.588 1.00 0.00 N ATOM 417 CA ARG A 29 9.889 -10.934 -9.395 1.00 0.00 C ATOM 418 C ARG A 29 8.695 -11.868 -9.569 1.00 0.00 C ATOM 419 O ARG A 29 7.601 -11.432 -9.930 1.00 0.00 O ATOM 420 CB ARG A 29 10.445 -10.539 -10.764 1.00 0.00 C ATOM 421 CG ARG A 29 11.401 -9.359 -10.716 1.00 0.00 C ATOM 422 CD ARG A 29 11.518 -8.681 -12.073 1.00 0.00 C ATOM 423 NE ARG A 29 12.762 -7.927 -12.202 1.00 0.00 N ATOM 424 CZ ARG A 29 12.983 -6.764 -11.600 1.00 0.00 C ATOM 425 NH1 ARG A 29 12.048 -6.224 -10.830 1.00 0.00 N ATOM 426 NH2 ARG A 29 14.141 -6.138 -11.766 1.00 0.00 N ATOM 0 H ARG A 29 11.353 -12.385 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 29 9.554 -10.037 -8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.960 -11.396 -11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.615 -10.296 -11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.054 -8.638 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.385 -9.699 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.467 -9.433 -12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.671 -8.010 -12.218 1.00 0.00 H new ATOM 0 HE ARG A 29 13.502 -8.315 -12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.157 -6.702 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.220 -5.331 -10.369 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.863 -6.550 -12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.309 -5.245 -11.303 1.00 0.00 H new ATOM 440 N ARG A 30 8.913 -13.153 -9.311 1.00 0.00 N ATOM 441 CA ARG A 30 7.855 -14.148 -9.441 1.00 0.00 C ATOM 442 C ARG A 30 6.560 -13.652 -8.805 1.00 0.00 C ATOM 443 O ARG A 30 6.463 -13.531 -7.584 1.00 0.00 O ATOM 444 CB ARG A 30 8.283 -15.465 -8.790 1.00 0.00 C ATOM 445 CG ARG A 30 9.286 -16.254 -9.616 1.00 0.00 C ATOM 446 CD ARG A 30 8.777 -16.499 -11.027 1.00 0.00 C ATOM 447 NE ARG A 30 9.166 -15.429 -11.942 1.00 0.00 N ATOM 448 CZ ARG A 30 10.412 -15.237 -12.360 1.00 0.00 C ATOM 449 NH1 ARG A 30 11.384 -16.037 -11.947 1.00 0.00 N ATOM 450 NH2 ARG A 30 10.687 -14.241 -13.193 1.00 0.00 N ATOM 0 H ARG A 30 9.812 -13.530 -9.011 1.00 0.00 H new ATOM 0 HA ARG A 30 7.677 -14.315 -10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.716 -15.254 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.400 -16.081 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.231 -15.712 -9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.488 -17.209 -9.130 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.167 -17.449 -11.393 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.691 -16.585 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 30 8.441 -14.795 -12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.176 -16.803 -11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.340 -15.887 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.941 -13.623 -13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.644 -14.094 -13.514 1.00 0.00 H new ATOM 464 N TRP A 31 5.569 -13.365 -9.641 1.00 0.00 N ATOM 465 CA TRP A 31 4.280 -12.881 -9.161 1.00 0.00 C ATOM 466 C TRP A 31 3.449 -14.023 -8.587 1.00 0.00 C ATOM 467 O TRP A 31 2.939 -13.934 -7.470 1.00 0.00 O ATOM 468 CB TRP A 31 3.515 -12.196 -10.294 1.00 0.00 C ATOM 469 CG TRP A 31 4.376 -11.307 -11.140 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.472 -11.315 -12.502 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.263 -10.282 -10.679 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.366 -10.357 -12.916 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.864 -9.709 -11.817 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.606 -9.791 -9.417 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.788 -8.672 -11.727 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.524 -8.762 -9.329 1.00 0.00 C ATOM 477 CH2 TRP A 31 7.106 -8.211 -10.478 1.00 0.00 C ATOM 0 H TRP A 31 5.633 -13.459 -10.655 1.00 0.00 H new ATOM 0 HA TRP A 31 4.465 -12.157 -8.368 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.059 -12.957 -10.927 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.703 -11.606 -9.870 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.926 -11.977 -13.158 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.618 -10.160 -13.885 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.161 -10.208 -8.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.238 -8.246 -12.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.797 -8.376 -8.358 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.820 -7.407 -10.376 1.00 0.00 H new ATOM 488 N THR A 32 3.315 -15.098 -9.359 1.00 0.00 N ATOM 489 CA THR A 32 2.545 -16.257 -8.928 1.00 0.00 C ATOM 490 C THR A 32 2.875 -16.632 -7.488 1.00 0.00 C ATOM 491 O THR A 32 1.995 -17.018 -6.718 1.00 0.00 O ATOM 492 CB THR A 32 2.806 -17.474 -9.836 1.00 0.00 C ATOM 493 OG1 THR A 32 4.193 -17.826 -9.797 1.00 0.00 O ATOM 494 CG2 THR A 32 2.392 -17.178 -11.269 1.00 0.00 C ATOM 0 H THR A 32 3.730 -15.189 -10.286 1.00 0.00 H new ATOM 0 HA THR A 32 1.493 -15.981 -8.997 1.00 0.00 H new ATOM 0 HB THR A 32 2.210 -18.309 -9.468 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.350 -18.601 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.586 -18.052 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.329 -16.940 -11.299 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.964 -16.330 -11.645 1.00 0.00 H new ATOM 502 N LYS A 33 4.149 -16.516 -7.128 1.00 0.00 N ATOM 503 CA LYS A 33 4.597 -16.841 -5.779 1.00 0.00 C ATOM 504 C LYS A 33 4.170 -15.761 -4.790 1.00 0.00 C ATOM 505 O LYS A 33 3.634 -16.061 -3.722 1.00 0.00 O ATOM 506 CB LYS A 33 6.118 -17.002 -5.749 1.00 0.00 C ATOM 507 CG LYS A 33 6.609 -18.268 -6.430 1.00 0.00 C ATOM 508 CD LYS A 33 7.952 -18.714 -5.878 1.00 0.00 C ATOM 509 CE LYS A 33 8.668 -19.650 -6.839 1.00 0.00 C ATOM 510 NZ LYS A 33 8.003 -20.981 -6.915 1.00 0.00 N ATOM 0 H LYS A 33 4.890 -16.199 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 33 4.133 -17.783 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.576 -16.139 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.455 -17.003 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.876 -19.063 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.695 -18.095 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.576 -17.841 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.805 -19.216 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.695 -19.200 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.702 -19.778 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.521 -21.590 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.999 -21.422 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.024 -20.862 -7.245 1.00 0.00 H new ATOM 524 N ILE A 34 4.411 -14.505 -5.152 1.00 0.00 N ATOM 525 CA ILE A 34 4.049 -13.382 -4.296 1.00 0.00 C ATOM 526 C ILE A 34 2.545 -13.342 -4.047 1.00 0.00 C ATOM 527 O ILE A 34 2.092 -13.436 -2.906 1.00 0.00 O ATOM 528 CB ILE A 34 4.491 -12.041 -4.911 1.00 0.00 C ATOM 529 CG1 ILE A 34 6.012 -12.006 -5.076 1.00 0.00 C ATOM 530 CG2 ILE A 34 4.020 -10.880 -4.047 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.489 -10.971 -6.070 1.00 0.00 C ATOM 0 H ILE A 34 4.855 -14.240 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 34 4.568 -13.528 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 34 4.035 -11.944 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.470 -11.805 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.357 -12.990 -5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.340 -9.939 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.932 -10.897 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.449 -10.971 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.577 -11.003 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.060 -11.183 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.174 -9.980 -5.743 1.00 0.00 H new ATOM 543 N SER A 35 1.776 -13.205 -5.122 1.00 0.00 N ATOM 544 CA SER A 35 0.322 -13.152 -5.020 1.00 0.00 C ATOM 545 C SER A 35 -0.182 -14.104 -3.940 1.00 0.00 C ATOM 546 O SER A 35 -1.131 -13.796 -3.218 1.00 0.00 O ATOM 547 CB SER A 35 -0.318 -13.504 -6.365 1.00 0.00 C ATOM 548 OG SER A 35 -0.365 -14.907 -6.556 1.00 0.00 O ATOM 0 H SER A 35 2.135 -13.129 -6.074 1.00 0.00 H new ATOM 0 HA SER A 35 0.039 -12.136 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.327 -13.094 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.250 -13.043 -7.173 1.00 0.00 H new ATOM 0 HG SER A 35 0.547 -15.265 -6.575 1.00 0.00 H new ATOM 554 N LYS A 36 0.459 -15.263 -3.835 1.00 0.00 N ATOM 555 CA LYS A 36 0.079 -16.261 -2.843 1.00 0.00 C ATOM 556 C LYS A 36 0.293 -15.732 -1.429 1.00 0.00 C ATOM 557 O LYS A 36 -0.569 -15.883 -0.561 1.00 0.00 O ATOM 558 CB LYS A 36 0.887 -17.545 -3.046 1.00 0.00 C ATOM 559 CG LYS A 36 0.241 -18.774 -2.430 1.00 0.00 C ATOM 560 CD LYS A 36 1.275 -19.828 -2.073 1.00 0.00 C ATOM 561 CE LYS A 36 1.627 -20.693 -3.273 1.00 0.00 C ATOM 562 NZ LYS A 36 0.542 -21.661 -3.596 1.00 0.00 N ATOM 0 H LYS A 36 1.245 -15.534 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.981 -16.481 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.023 -17.713 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.879 -17.412 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.310 -18.486 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.482 -19.195 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.175 -19.343 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.892 -20.457 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.815 -20.056 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.550 -21.236 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.894 -22.362 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.240 -22.146 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.266 -21.152 -4.008 1.00 0.00 H new ATOM 576 N LEU A 37 1.445 -15.110 -1.202 1.00 0.00 N ATOM 577 CA LEU A 37 1.771 -14.557 0.107 1.00 0.00 C ATOM 578 C LEU A 37 0.655 -13.645 0.607 1.00 0.00 C ATOM 579 O LEU A 37 0.177 -13.792 1.732 1.00 0.00 O ATOM 580 CB LEU A 37 3.088 -13.781 0.041 1.00 0.00 C ATOM 581 CG LEU A 37 3.657 -13.309 1.380 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.347 -14.456 2.101 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.621 -12.150 1.171 1.00 0.00 C ATOM 0 H LEU A 37 2.169 -14.976 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 37 1.879 -15.385 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.833 -14.410 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.941 -12.909 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 37 2.832 -12.961 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.745 -14.101 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.629 -15.255 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.162 -14.835 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.016 -11.827 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.443 -12.471 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.096 -11.320 0.698 1.00 0.00 H new ATOM 595 N ILE A 38 0.244 -12.705 -0.238 1.00 0.00 N ATOM 596 CA ILE A 38 -0.818 -11.772 0.116 1.00 0.00 C ATOM 597 C ILE A 38 -2.155 -12.491 0.265 1.00 0.00 C ATOM 598 O ILE A 38 -2.804 -12.408 1.307 1.00 0.00 O ATOM 599 CB ILE A 38 -0.962 -10.657 -0.936 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.357 -9.898 -1.091 1.00 0.00 C ATOM 601 CG2 ILE A 38 -2.084 -9.705 -0.549 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.400 -9.002 -2.309 1.00 0.00 C ATOM 0 H ILE A 38 0.630 -12.570 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.540 -11.326 1.071 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.212 -11.113 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.526 -9.294 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.175 -10.616 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.173 -8.922 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.022 -10.256 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.861 -9.254 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.364 -8.496 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.263 -9.603 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.396 -8.261 -2.244 1.00 0.00 H new ATOM 614 N GLY A 39 -2.560 -13.199 -0.785 1.00 0.00 N ATOM 615 CA GLY A 39 -3.816 -13.924 -0.751 1.00 0.00 C ATOM 616 C GLY A 39 -5.004 -13.043 -1.081 1.00 0.00 C ATOM 617 O GLY A 39 -5.947 -13.480 -1.741 1.00 0.00 O ATOM 0 H GLY A 39 -2.040 -13.283 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.773 -14.751 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.954 -14.359 0.239 1.00 0.00 H new ATOM 621 N SER A 40 -4.960 -11.797 -0.620 1.00 0.00 N ATOM 622 CA SER A 40 -6.044 -10.852 -0.865 1.00 0.00 C ATOM 623 C SER A 40 -6.150 -10.521 -2.351 1.00 0.00 C ATOM 624 O SER A 40 -7.244 -10.487 -2.914 1.00 0.00 O ATOM 625 CB SER A 40 -5.824 -9.570 -0.060 1.00 0.00 C ATOM 626 OG SER A 40 -7.040 -8.865 0.119 1.00 0.00 O ATOM 0 H SER A 40 -4.186 -11.418 -0.075 1.00 0.00 H new ATOM 0 HA SER A 40 -6.977 -11.317 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.396 -9.816 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.103 -8.934 -0.574 1.00 0.00 H new ATOM 0 HG SER A 40 -6.873 -8.051 0.638 1.00 0.00 H new ATOM 632 N ARG A 41 -5.004 -10.277 -2.979 1.00 0.00 N ATOM 633 CA ARG A 41 -4.967 -9.947 -4.399 1.00 0.00 C ATOM 634 C ARG A 41 -4.836 -11.209 -5.247 1.00 0.00 C ATOM 635 O ARG A 41 -4.808 -12.323 -4.723 1.00 0.00 O ATOM 636 CB ARG A 41 -3.803 -8.999 -4.693 1.00 0.00 C ATOM 637 CG ARG A 41 -4.062 -7.565 -4.262 1.00 0.00 C ATOM 638 CD ARG A 41 -5.178 -6.931 -5.077 1.00 0.00 C ATOM 639 NE ARG A 41 -6.491 -7.160 -4.479 1.00 0.00 N ATOM 640 CZ ARG A 41 -7.597 -6.541 -4.875 1.00 0.00 C ATOM 641 NH1 ARG A 41 -7.550 -5.660 -5.865 1.00 0.00 N ATOM 642 NH2 ARG A 41 -8.754 -6.803 -4.281 1.00 0.00 N ATOM 0 H ARG A 41 -4.090 -10.302 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.904 -9.453 -4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.910 -9.366 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.593 -9.016 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.325 -7.544 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.150 -6.980 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.001 -5.859 -5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.164 -7.338 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.562 -7.832 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.663 -5.456 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.401 -5.186 -6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.794 -7.480 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.603 -6.327 -4.586 1.00 0.00 H new ATOM 656 N THR A 42 -4.757 -11.026 -6.562 1.00 0.00 N ATOM 657 CA THR A 42 -4.632 -12.149 -7.483 1.00 0.00 C ATOM 658 C THR A 42 -3.473 -11.938 -8.451 1.00 0.00 C ATOM 659 O THR A 42 -3.107 -10.804 -8.759 1.00 0.00 O ATOM 660 CB THR A 42 -5.927 -12.362 -8.289 1.00 0.00 C ATOM 661 OG1 THR A 42 -6.167 -11.234 -9.138 1.00 0.00 O ATOM 662 CG2 THR A 42 -7.115 -12.566 -7.361 1.00 0.00 C ATOM 0 H THR A 42 -4.777 -10.111 -7.012 1.00 0.00 H new ATOM 0 HA THR A 42 -4.441 -13.035 -6.878 1.00 0.00 H new ATOM 0 HB THR A 42 -5.805 -13.257 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.992 -11.378 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.018 -12.714 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.943 -13.443 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.237 -11.687 -6.727 1.00 0.00 H new ATOM 670 N VAL A 43 -2.900 -13.038 -8.929 1.00 0.00 N ATOM 671 CA VAL A 43 -1.783 -12.974 -9.864 1.00 0.00 C ATOM 672 C VAL A 43 -1.940 -11.803 -10.827 1.00 0.00 C ATOM 673 O VAL A 43 -0.984 -11.075 -11.097 1.00 0.00 O ATOM 674 CB VAL A 43 -1.654 -14.278 -10.674 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.592 -14.133 -11.753 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.335 -15.447 -9.754 1.00 0.00 C ATOM 0 H VAL A 43 -3.191 -13.984 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.880 -12.834 -9.270 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.608 -14.479 -11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.515 -15.064 -12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.868 -13.323 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.369 -13.908 -11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.247 -16.360 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.394 -15.257 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.134 -15.563 -9.022 1.00 0.00 H new ATOM 686 N LEU A 44 -3.151 -11.627 -11.343 1.00 0.00 N ATOM 687 CA LEU A 44 -3.435 -10.544 -12.278 1.00 0.00 C ATOM 688 C LEU A 44 -3.141 -9.187 -11.644 1.00 0.00 C ATOM 689 O LEU A 44 -2.306 -8.430 -12.138 1.00 0.00 O ATOM 690 CB LEU A 44 -4.895 -10.602 -12.730 1.00 0.00 C ATOM 691 CG LEU A 44 -5.337 -11.901 -13.406 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.823 -11.856 -13.727 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.524 -12.149 -14.668 1.00 0.00 C ATOM 0 H LEU A 44 -3.953 -12.221 -11.130 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.788 -10.668 -13.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.531 -10.434 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.074 -9.778 -13.420 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.160 -12.726 -12.716 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.120 -12.788 -14.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.391 -11.726 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.025 -11.021 -14.398 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.852 -13.077 -15.136 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.669 -11.322 -15.363 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.468 -12.226 -14.411 1.00 0.00 H new ATOM 705 N GLN A 45 -3.830 -8.890 -10.548 1.00 0.00 N ATOM 706 CA GLN A 45 -3.641 -7.626 -9.846 1.00 0.00 C ATOM 707 C GLN A 45 -2.170 -7.404 -9.511 1.00 0.00 C ATOM 708 O GLN A 45 -1.654 -6.294 -9.641 1.00 0.00 O ATOM 709 CB GLN A 45 -4.478 -7.599 -8.566 1.00 0.00 C ATOM 710 CG GLN A 45 -5.925 -7.191 -8.793 1.00 0.00 C ATOM 711 CD GLN A 45 -6.802 -8.357 -9.204 1.00 0.00 C ATOM 712 OE1 GLN A 45 -7.674 -8.789 -8.450 1.00 0.00 O ATOM 713 NE2 GLN A 45 -6.576 -8.873 -10.407 1.00 0.00 N ATOM 0 H GLN A 45 -4.524 -9.507 -10.126 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.970 -6.821 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.456 -8.587 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.021 -6.908 -7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.321 -6.748 -7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.965 -6.422 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.843 -8.484 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.136 -9.659 -10.738 1.00 0.00 H new ATOM 722 N VAL A 46 -1.500 -8.468 -9.079 1.00 0.00 N ATOM 723 CA VAL A 46 -0.087 -8.389 -8.725 1.00 0.00 C ATOM 724 C VAL A 46 0.768 -8.072 -9.947 1.00 0.00 C ATOM 725 O VAL A 46 1.828 -7.456 -9.834 1.00 0.00 O ATOM 726 CB VAL A 46 0.407 -9.704 -8.094 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.895 -9.624 -7.789 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.387 -10.023 -6.836 1.00 0.00 C ATOM 0 H VAL A 46 -1.912 -9.394 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 46 0.013 -7.585 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 46 0.250 -10.511 -8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.226 -10.562 -7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.447 -9.446 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.080 -8.806 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.024 -10.955 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.264 -9.216 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.442 -10.126 -7.088 1.00 0.00 H new ATOM 738 N LYS A 47 0.300 -8.496 -11.116 1.00 0.00 N ATOM 739 CA LYS A 47 1.020 -8.256 -12.361 1.00 0.00 C ATOM 740 C LYS A 47 0.836 -6.815 -12.827 1.00 0.00 C ATOM 741 O LYS A 47 1.764 -6.200 -13.353 1.00 0.00 O ATOM 742 CB LYS A 47 0.537 -9.219 -13.448 1.00 0.00 C ATOM 743 CG LYS A 47 1.122 -10.616 -13.326 1.00 0.00 C ATOM 744 CD LYS A 47 0.612 -11.532 -14.426 1.00 0.00 C ATOM 745 CE LYS A 47 1.309 -12.883 -14.393 1.00 0.00 C ATOM 746 NZ LYS A 47 1.207 -13.591 -15.699 1.00 0.00 N ATOM 0 H LYS A 47 -0.575 -9.008 -11.227 1.00 0.00 H new ATOM 0 HA LYS A 47 2.080 -8.428 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.550 -9.284 -13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.795 -8.810 -14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.210 -10.561 -13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.865 -11.036 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.463 -11.673 -14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.773 -11.062 -15.396 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.359 -12.744 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.868 -13.500 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.694 -14.508 -15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.206 -13.747 -15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.650 -13.014 -16.442 1.00 0.00 H new ATOM 760 N SER A 48 -0.365 -6.282 -12.628 1.00 0.00 N ATOM 761 CA SER A 48 -0.670 -4.914 -13.030 1.00 0.00 C ATOM 762 C SER A 48 -0.147 -3.916 -12.001 1.00 0.00 C ATOM 763 O SER A 48 -0.010 -2.726 -12.287 1.00 0.00 O ATOM 764 CB SER A 48 -2.179 -4.737 -13.207 1.00 0.00 C ATOM 765 OG SER A 48 -2.867 -4.967 -11.990 1.00 0.00 O ATOM 0 H SER A 48 -1.143 -6.777 -12.191 1.00 0.00 H new ATOM 0 HA SER A 48 -0.174 -4.722 -13.982 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.390 -3.729 -13.563 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.542 -5.426 -13.969 1.00 0.00 H new ATOM 0 HG SER A 48 -2.253 -5.362 -11.336 1.00 0.00 H new ATOM 771 N TYR A 49 0.142 -4.409 -10.802 1.00 0.00 N ATOM 772 CA TYR A 49 0.648 -3.562 -9.728 1.00 0.00 C ATOM 773 C TYR A 49 2.161 -3.395 -9.832 1.00 0.00 C ATOM 774 O TYR A 49 2.683 -2.286 -9.728 1.00 0.00 O ATOM 775 CB TYR A 49 0.281 -4.154 -8.367 1.00 0.00 C ATOM 776 CG TYR A 49 1.147 -3.650 -7.234 1.00 0.00 C ATOM 777 CD1 TYR A 49 2.346 -4.277 -6.918 1.00 0.00 C ATOM 778 CD2 TYR A 49 0.766 -2.547 -6.480 1.00 0.00 C ATOM 779 CE1 TYR A 49 3.139 -3.820 -5.884 1.00 0.00 C ATOM 780 CE2 TYR A 49 1.553 -2.083 -5.445 1.00 0.00 C ATOM 781 CZ TYR A 49 2.739 -2.723 -5.150 1.00 0.00 C ATOM 782 OH TYR A 49 3.527 -2.264 -4.120 1.00 0.00 O ATOM 0 H TYR A 49 0.035 -5.391 -10.549 1.00 0.00 H new ATOM 0 HA TYR A 49 0.185 -2.580 -9.826 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.761 -3.921 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.361 -5.240 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.663 -5.136 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.162 -2.044 -6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.068 -4.319 -5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.242 -1.224 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 49 4.227 -2.922 -3.926 1.00 0.00 H new ATOM 792 N ALA A 50 2.859 -4.507 -10.039 1.00 0.00 N ATOM 793 CA ALA A 50 4.311 -4.485 -10.160 1.00 0.00 C ATOM 794 C ALA A 50 4.778 -3.275 -10.962 1.00 0.00 C ATOM 795 O ALA A 50 5.785 -2.650 -10.631 1.00 0.00 O ATOM 796 CB ALA A 50 4.806 -5.772 -10.805 1.00 0.00 C ATOM 0 H ALA A 50 2.442 -5.434 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 50 4.733 -4.407 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.892 -5.742 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.513 -6.623 -10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.368 -5.873 -11.798 1.00 0.00 H new ATOM 802 N ARG A 51 4.039 -2.951 -12.018 1.00 0.00 N ATOM 803 CA ARG A 51 4.378 -1.817 -12.869 1.00 0.00 C ATOM 804 C ARG A 51 3.923 -0.506 -12.234 1.00 0.00 C ATOM 805 O ARG A 51 4.601 0.516 -12.344 1.00 0.00 O ATOM 806 CB ARG A 51 3.737 -1.976 -14.248 1.00 0.00 C ATOM 807 CG ARG A 51 2.223 -2.102 -14.206 1.00 0.00 C ATOM 808 CD ARG A 51 1.694 -2.878 -15.402 1.00 0.00 C ATOM 809 NE ARG A 51 1.381 -2.001 -16.527 1.00 0.00 N ATOM 810 CZ ARG A 51 2.280 -1.601 -17.420 1.00 0.00 C ATOM 811 NH1 ARG A 51 3.541 -1.997 -17.319 1.00 0.00 N ATOM 812 NH2 ARG A 51 1.917 -0.803 -18.416 1.00 0.00 N ATOM 0 H ARG A 51 3.202 -3.458 -12.305 1.00 0.00 H new ATOM 0 HA ARG A 51 5.462 -1.791 -12.981 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.005 -1.118 -14.865 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.153 -2.859 -14.733 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.924 -2.603 -13.285 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.775 -1.109 -14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.434 -3.616 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.799 -3.428 -15.111 1.00 0.00 H new ATOM 0 HE ARG A 51 0.419 -1.678 -16.633 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.823 -2.610 -16.554 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.229 -1.688 -18.006 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.948 -0.496 -18.496 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.607 -0.496 -19.101 1.00 0.00 H new ATOM 826 N GLN A 52 2.773 -0.544 -11.570 1.00 0.00 N ATOM 827 CA GLN A 52 2.228 0.642 -10.918 1.00 0.00 C ATOM 828 C GLN A 52 3.185 1.166 -9.853 1.00 0.00 C ATOM 829 O GLN A 52 3.416 2.371 -9.751 1.00 0.00 O ATOM 830 CB GLN A 52 0.870 0.325 -10.290 1.00 0.00 C ATOM 831 CG GLN A 52 -0.069 1.520 -10.236 1.00 0.00 C ATOM 832 CD GLN A 52 -1.134 1.377 -9.167 1.00 0.00 C ATOM 833 OE1 GLN A 52 -1.521 0.265 -8.804 1.00 0.00 O ATOM 834 NE2 GLN A 52 -1.615 2.504 -8.655 1.00 0.00 N ATOM 0 H GLN A 52 2.200 -1.382 -11.469 1.00 0.00 H new ATOM 0 HA GLN A 52 2.098 1.415 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.394 -0.475 -10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.025 -0.050 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.510 2.424 -10.048 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.548 1.645 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.266 3.404 -8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.333 2.470 -7.932 1.00 0.00 H new ATOM 843 N TYR A 53 3.738 0.254 -9.061 1.00 0.00 N ATOM 844 CA TYR A 53 4.668 0.625 -8.001 1.00 0.00 C ATOM 845 C TYR A 53 5.840 1.425 -8.560 1.00 0.00 C ATOM 846 O TYR A 53 6.049 2.581 -8.192 1.00 0.00 O ATOM 847 CB TYR A 53 5.184 -0.625 -7.287 1.00 0.00 C ATOM 848 CG TYR A 53 6.154 -0.325 -6.166 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.861 0.637 -5.207 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.363 -1.002 -6.067 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.745 0.915 -4.182 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.252 -0.732 -5.045 1.00 0.00 C ATOM 853 CZ TYR A 53 7.938 0.228 -4.105 1.00 0.00 C ATOM 854 OH TYR A 53 8.821 0.501 -3.085 1.00 0.00 O ATOM 0 H TYR A 53 3.558 -0.747 -9.133 1.00 0.00 H new ATOM 0 HA TYR A 53 4.134 1.250 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.336 -1.179 -6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.672 -1.274 -8.015 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.927 1.176 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.612 -1.753 -6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.503 1.666 -3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.187 -1.269 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 53 8.492 0.103 -2.252 1.00 0.00 H new ATOM 864 N PHE A 54 6.602 0.802 -9.453 1.00 0.00 N ATOM 865 CA PHE A 54 7.754 1.454 -10.064 1.00 0.00 C ATOM 866 C PHE A 54 7.381 2.839 -10.586 1.00 0.00 C ATOM 867 O PHE A 54 8.129 3.802 -10.415 1.00 0.00 O ATOM 868 CB PHE A 54 8.305 0.598 -11.206 1.00 0.00 C ATOM 869 CG PHE A 54 8.865 -0.719 -10.751 1.00 0.00 C ATOM 870 CD1 PHE A 54 9.952 -0.766 -9.893 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.305 -1.911 -11.182 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.469 -1.976 -9.472 1.00 0.00 C ATOM 873 CE2 PHE A 54 8.818 -3.124 -10.764 1.00 0.00 C ATOM 874 CZ PHE A 54 9.902 -3.157 -9.909 1.00 0.00 C ATOM 0 H PHE A 54 6.442 -0.154 -9.770 1.00 0.00 H new ATOM 0 HA PHE A 54 8.523 1.567 -9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.510 0.415 -11.929 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.085 1.156 -11.724 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.400 0.154 -9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.458 -1.892 -11.852 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.316 -1.998 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.371 -4.046 -11.106 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.305 -4.104 -9.583 1.00 0.00 H new ATOM 884 N LYS A 55 6.219 2.931 -11.223 1.00 0.00 N ATOM 885 CA LYS A 55 5.744 4.196 -11.771 1.00 0.00 C ATOM 886 C LYS A 55 5.586 5.240 -10.670 1.00 0.00 C ATOM 887 O LYS A 55 5.822 6.427 -10.889 1.00 0.00 O ATOM 888 CB LYS A 55 4.410 3.995 -12.492 1.00 0.00 C ATOM 889 CG LYS A 55 3.884 5.253 -13.161 1.00 0.00 C ATOM 890 CD LYS A 55 2.756 4.940 -14.130 1.00 0.00 C ATOM 891 CE LYS A 55 3.282 4.315 -15.414 1.00 0.00 C ATOM 892 NZ LYS A 55 2.284 4.391 -16.517 1.00 0.00 N ATOM 0 H LYS A 55 5.588 2.144 -11.373 1.00 0.00 H new ATOM 0 HA LYS A 55 6.485 4.555 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.527 3.215 -13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.670 3.638 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.529 5.949 -12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.695 5.749 -13.694 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.047 4.261 -13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.213 5.855 -14.365 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.197 4.823 -15.717 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.542 3.272 -15.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.680 3.955 -17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.419 3.884 -16.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.055 5.387 -16.710 1.00 0.00 H new ATOM 906 N ASN A 56 5.186 4.788 -9.485 1.00 0.00 N ATOM 907 CA ASN A 56 4.998 5.684 -8.350 1.00 0.00 C ATOM 908 C ASN A 56 6.340 6.167 -7.809 1.00 0.00 C ATOM 909 O ASN A 56 6.395 6.962 -6.870 1.00 0.00 O ATOM 910 CB ASN A 56 4.214 4.978 -7.242 1.00 0.00 C ATOM 911 CG ASN A 56 2.818 4.583 -7.683 1.00 0.00 C ATOM 912 OD1 ASN A 56 2.454 3.407 -7.651 1.00 0.00 O ATOM 913 ND2 ASN A 56 2.028 5.567 -8.097 1.00 0.00 N ATOM 0 H ASN A 56 4.986 3.808 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 56 4.432 6.550 -8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.758 4.088 -6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.146 5.634 -6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.077 5.362 -8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.372 6.527 -8.107 1.00 0.00 H new ATOM 920 N LYS A 57 7.422 5.683 -8.409 1.00 0.00 N ATOM 921 CA LYS A 57 8.766 6.065 -7.991 1.00 0.00 C ATOM 922 C LYS A 57 9.514 6.753 -9.129 1.00 0.00 C ATOM 923 O LYS A 57 9.828 7.941 -9.050 1.00 0.00 O ATOM 924 CB LYS A 57 9.546 4.835 -7.522 1.00 0.00 C ATOM 925 CG LYS A 57 9.290 4.469 -6.071 1.00 0.00 C ATOM 926 CD LYS A 57 10.291 3.441 -5.570 1.00 0.00 C ATOM 927 CE LYS A 57 10.353 3.418 -4.050 1.00 0.00 C ATOM 928 NZ LYS A 57 11.073 4.603 -3.507 1.00 0.00 N ATOM 0 H LYS A 57 7.394 5.024 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 57 8.676 6.767 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.284 3.986 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.612 5.017 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.347 5.365 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.279 4.075 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.015 2.453 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.279 3.667 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.341 3.391 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.853 2.507 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.288 4.448 -2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.959 4.742 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.475 5.448 -3.607 1.00 0.00 H new ATOM 942 N VAL A 58 9.797 5.998 -10.186 1.00 0.00 N ATOM 943 CA VAL A 58 10.507 6.536 -11.341 1.00 0.00 C ATOM 944 C VAL A 58 9.563 6.733 -12.522 1.00 0.00 C ATOM 945 O VAL A 58 9.177 5.773 -13.189 1.00 0.00 O ATOM 946 CB VAL A 58 11.662 5.612 -11.769 1.00 0.00 C ATOM 947 CG1 VAL A 58 12.348 6.156 -13.013 1.00 0.00 C ATOM 948 CG2 VAL A 58 12.659 5.444 -10.632 1.00 0.00 C ATOM 0 H VAL A 58 9.546 5.013 -10.266 1.00 0.00 H new ATOM 0 HA VAL A 58 10.916 7.501 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 58 11.250 4.632 -12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.161 5.490 -13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.627 6.220 -13.828 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.748 7.148 -12.803 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.469 4.788 -10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.067 6.417 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.157 5.006 -9.769 1.00 0.00 H new ATOM 958 N LYS A 59 9.196 7.984 -12.777 1.00 0.00 N ATOM 959 CA LYS A 59 8.299 8.310 -13.879 1.00 0.00 C ATOM 960 C LYS A 59 9.032 8.238 -15.215 1.00 0.00 C ATOM 961 O LYS A 59 10.063 8.885 -15.404 1.00 0.00 O ATOM 962 CB LYS A 59 7.706 9.707 -13.685 1.00 0.00 C ATOM 963 CG LYS A 59 6.420 9.714 -12.877 1.00 0.00 C ATOM 964 CD LYS A 59 5.859 11.119 -12.733 1.00 0.00 C ATOM 965 CE LYS A 59 5.234 11.605 -14.032 1.00 0.00 C ATOM 966 NZ LYS A 59 4.443 12.851 -13.835 1.00 0.00 N ATOM 0 H LYS A 59 9.507 8.790 -12.234 1.00 0.00 H new ATOM 0 HA LYS A 59 7.492 7.578 -13.887 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.442 10.339 -13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.514 10.150 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.682 9.074 -13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.608 9.293 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.111 11.134 -11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.655 11.801 -12.433 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.018 11.785 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.589 10.826 -14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.034 13.150 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.679 12.673 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.063 13.602 -13.471 1.00 0.00 H new ATOM 980 N CYS A 60 8.492 7.451 -16.139 1.00 0.00 N ATOM 981 CA CYS A 60 9.094 7.296 -17.458 1.00 0.00 C ATOM 982 C CYS A 60 10.616 7.346 -17.371 1.00 0.00 C ATOM 983 O CYS A 60 11.275 7.977 -18.196 1.00 0.00 O ATOM 984 CB CYS A 60 8.589 8.387 -18.404 1.00 0.00 C ATOM 985 SG CYS A 60 8.993 10.068 -17.873 1.00 0.00 S ATOM 0 H CYS A 60 7.638 6.910 -15.999 1.00 0.00 H new ATOM 0 HA CYS A 60 8.803 6.322 -17.850 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.012 8.219 -19.394 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.507 8.298 -18.500 1.00 0.00 H new ATOM 0 HG CYS A 60 9.679 10.022 -16.769 1.00 0.00 H new ATOM 991 N GLY A 61 11.168 6.677 -16.363 1.00 0.00 N ATOM 992 CA GLY A 61 12.608 6.660 -16.185 1.00 0.00 C ATOM 993 C GLY A 61 13.172 8.035 -15.888 1.00 0.00 C ATOM 994 O GLY A 61 12.524 8.852 -15.232 1.00 0.00 O ATOM 0 H GLY A 61 10.644 6.147 -15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.862 5.983 -15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.078 6.265 -17.086 1.00 0.00 H new ATOM 998 N LEU A 62 14.383 8.292 -16.369 1.00 0.00 N ATOM 999 CA LEU A 62 15.036 9.578 -16.151 1.00 0.00 C ATOM 1000 C LEU A 62 15.135 10.367 -17.453 1.00 0.00 C ATOM 1001 O LEU A 62 16.157 10.994 -17.734 1.00 0.00 O ATOM 1002 CB LEU A 62 16.432 9.370 -15.559 1.00 0.00 C ATOM 1003 CG LEU A 62 17.371 8.466 -16.358 1.00 0.00 C ATOM 1004 CD1 LEU A 62 18.822 8.796 -16.046 1.00 0.00 C ATOM 1005 CD2 LEU A 62 17.080 7.002 -16.064 1.00 0.00 C ATOM 0 H LEU A 62 14.933 7.627 -16.913 1.00 0.00 H new ATOM 0 HA LEU A 62 14.431 10.150 -15.447 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.906 10.345 -15.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.322 8.952 -14.558 1.00 0.00 H new ATOM 0 HG LEU A 62 17.199 8.643 -17.420 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.476 8.143 -16.624 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.023 9.835 -16.308 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.008 8.647 -14.982 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.758 6.373 -16.641 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.223 6.809 -15.001 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.050 6.773 -16.339 1.00 0.00 H new ATOM 1017 N ASP A 63 14.067 10.333 -18.242 1.00 0.00 N ATOM 1018 CA ASP A 63 14.032 11.047 -19.513 1.00 0.00 C ATOM 1019 C ASP A 63 13.026 12.192 -19.465 1.00 0.00 C ATOM 1020 O ASP A 63 12.111 12.196 -18.640 1.00 0.00 O ATOM 1021 CB ASP A 63 13.680 10.088 -20.651 1.00 0.00 C ATOM 1022 CG ASP A 63 13.332 10.817 -21.934 1.00 0.00 C ATOM 1023 OD1 ASP A 63 12.214 11.368 -22.019 1.00 0.00 O ATOM 1024 OD2 ASP A 63 14.177 10.836 -22.853 1.00 0.00 O ATOM 0 H ASP A 63 13.214 9.819 -18.024 1.00 0.00 H new ATOM 0 HA ASP A 63 15.022 11.465 -19.695 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.522 9.420 -20.833 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.838 9.465 -20.350 1.00 0.00 H new ATOM 1029 N LYS A 64 13.200 13.163 -20.355 1.00 0.00 N ATOM 1030 CA LYS A 64 12.307 14.315 -20.416 1.00 0.00 C ATOM 1031 C LYS A 64 10.864 13.899 -20.148 1.00 0.00 C ATOM 1032 O LYS A 64 10.477 12.762 -20.417 1.00 0.00 O ATOM 1033 CB LYS A 64 12.408 14.992 -21.784 1.00 0.00 C ATOM 1034 CG LYS A 64 13.606 15.917 -21.918 1.00 0.00 C ATOM 1035 CD LYS A 64 14.912 15.141 -21.920 1.00 0.00 C ATOM 1036 CE LYS A 64 16.077 16.010 -22.368 1.00 0.00 C ATOM 1037 NZ LYS A 64 16.701 16.733 -21.225 1.00 0.00 N ATOM 0 H LYS A 64 13.952 13.175 -21.045 1.00 0.00 H new ATOM 0 HA LYS A 64 12.612 15.022 -19.644 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.464 14.225 -22.556 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.497 15.562 -21.966 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.522 16.492 -22.840 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.608 16.633 -21.096 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.108 14.755 -20.920 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.824 14.280 -22.582 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.827 15.388 -22.857 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.729 16.731 -23.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.491 17.314 -21.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.992 17.346 -20.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.056 16.045 -20.531 1.00 0.00 H new ATOM 1051 N GLU A 65 10.073 14.828 -19.620 1.00 0.00 N ATOM 1052 CA GLU A 65 8.673 14.556 -19.317 1.00 0.00 C ATOM 1053 C GLU A 65 7.782 15.702 -19.790 1.00 0.00 C ATOM 1054 O GLU A 65 8.267 16.781 -20.132 1.00 0.00 O ATOM 1055 CB GLU A 65 8.486 14.337 -17.814 1.00 0.00 C ATOM 1056 CG GLU A 65 8.895 15.532 -16.969 1.00 0.00 C ATOM 1057 CD GLU A 65 9.036 15.186 -15.500 1.00 0.00 C ATOM 1058 OE1 GLU A 65 9.595 14.111 -15.195 1.00 0.00 O ATOM 1059 OE2 GLU A 65 8.588 15.989 -14.655 1.00 0.00 O ATOM 0 H GLU A 65 10.378 15.775 -19.393 1.00 0.00 H new ATOM 0 HA GLU A 65 8.382 13.649 -19.847 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.440 14.104 -17.617 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.069 13.469 -17.507 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.842 15.926 -17.338 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.154 16.323 -17.083 1.00 0.00 H new ATOM 1066 N THR A 66 6.475 15.459 -19.807 1.00 0.00 N ATOM 1067 CA THR A 66 5.516 16.468 -20.239 1.00 0.00 C ATOM 1068 C THR A 66 5.566 17.696 -19.337 1.00 0.00 C ATOM 1069 O THR A 66 5.752 17.598 -18.124 1.00 0.00 O ATOM 1070 CB THR A 66 4.080 15.910 -20.248 1.00 0.00 C ATOM 1071 OG1 THR A 66 3.152 16.953 -20.566 1.00 0.00 O ATOM 1072 CG2 THR A 66 3.727 15.303 -18.899 1.00 0.00 C ATOM 0 H THR A 66 6.057 14.572 -19.527 1.00 0.00 H new ATOM 0 HA THR A 66 5.794 16.754 -21.253 1.00 0.00 H new ATOM 0 HB THR A 66 4.021 15.129 -21.006 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.242 16.590 -20.572 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.709 14.916 -18.930 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.418 14.490 -18.674 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.801 16.067 -18.125 1.00 0.00 H new ATOM 1080 N PRO A 67 5.396 18.881 -19.941 1.00 0.00 N ATOM 1081 CA PRO A 67 5.416 20.152 -19.210 1.00 0.00 C ATOM 1082 C PRO A 67 4.196 20.323 -18.311 1.00 0.00 C ATOM 1083 O PRO A 67 3.310 19.471 -18.283 1.00 0.00 O ATOM 1084 CB PRO A 67 5.412 21.202 -20.323 1.00 0.00 C ATOM 1085 CG PRO A 67 4.774 20.520 -21.484 1.00 0.00 C ATOM 1086 CD PRO A 67 5.169 19.073 -21.383 1.00 0.00 C ATOM 0 HA PRO A 67 6.274 20.224 -18.541 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.852 22.089 -20.028 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.424 21.529 -20.563 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.690 20.632 -21.455 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.113 20.952 -22.425 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.385 18.415 -21.757 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.067 18.860 -21.963 1.00 0.00 H new ATOM 1094 N ASN A 68 4.158 21.431 -17.578 1.00 0.00 N ATOM 1095 CA ASN A 68 3.046 21.714 -16.678 1.00 0.00 C ATOM 1096 C ASN A 68 1.927 22.450 -17.410 1.00 0.00 C ATOM 1097 O ASN A 68 2.059 23.628 -17.740 1.00 0.00 O ATOM 1098 CB ASN A 68 3.525 22.547 -15.488 1.00 0.00 C ATOM 1099 CG ASN A 68 4.544 23.596 -15.889 1.00 0.00 C ATOM 1100 OD1 ASN A 68 4.189 24.722 -16.238 1.00 0.00 O ATOM 1101 ND2 ASN A 68 5.820 23.230 -15.841 1.00 0.00 N ATOM 0 H ASN A 68 4.884 22.147 -17.590 1.00 0.00 H new ATOM 0 HA ASN A 68 2.655 20.764 -16.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.669 23.035 -15.022 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.963 21.887 -14.739 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.551 23.893 -16.099 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.069 22.286 -15.546 1.00 0.00 H new ATOM 1108 N GLN A 69 0.828 21.746 -17.658 1.00 0.00 N ATOM 1109 CA GLN A 69 -0.314 22.332 -18.351 1.00 0.00 C ATOM 1110 C GLN A 69 -0.640 23.713 -17.792 1.00 0.00 C ATOM 1111 O GLN A 69 -1.105 23.842 -16.659 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.535 21.418 -18.230 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.675 21.801 -19.159 1.00 0.00 C ATOM 1114 CD GLN A 69 -3.782 20.765 -19.182 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -3.521 19.562 -19.209 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -5.027 21.227 -19.171 1.00 0.00 N ATOM 0 H GLN A 69 0.704 20.770 -17.390 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.052 22.439 -19.404 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.233 20.392 -18.442 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.893 21.438 -17.201 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.087 22.760 -18.846 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.287 21.935 -20.169 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.198 22.232 -19.148 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.813 20.576 -19.185 1.00 0.00 H new ATOM 1125 N LYS A 70 -0.392 24.744 -18.593 1.00 0.00 N ATOM 1126 CA LYS A 70 -0.659 26.116 -18.179 1.00 0.00 C ATOM 1127 C LYS A 70 -1.669 26.778 -19.111 1.00 0.00 C ATOM 1128 O LYS A 70 -1.296 27.422 -20.091 1.00 0.00 O ATOM 1129 CB LYS A 70 0.639 26.926 -18.158 1.00 0.00 C ATOM 1130 CG LYS A 70 0.634 28.056 -17.143 1.00 0.00 C ATOM 1131 CD LYS A 70 0.006 29.316 -17.713 1.00 0.00 C ATOM 1132 CE LYS A 70 -0.397 30.286 -16.613 1.00 0.00 C ATOM 1133 NZ LYS A 70 -1.476 29.730 -15.751 1.00 0.00 N ATOM 0 H LYS A 70 -0.006 24.655 -19.533 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.080 26.091 -17.174 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.472 26.257 -17.940 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.815 27.341 -19.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.085 27.745 -16.254 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.656 28.268 -16.829 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.711 29.802 -18.387 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.870 29.051 -18.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.473 30.521 -16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.735 31.221 -17.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.997 30.509 -15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.129 29.166 -16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.056 29.125 -15.016 1.00 0.00 H new ATOM 1147 N THR A 71 -2.951 26.617 -18.798 1.00 0.00 N ATOM 1148 CA THR A 71 -4.015 27.199 -19.606 1.00 0.00 C ATOM 1149 C THR A 71 -4.136 28.698 -19.359 1.00 0.00 C ATOM 1150 O THR A 71 -4.230 29.487 -20.298 1.00 0.00 O ATOM 1151 CB THR A 71 -5.372 26.530 -19.315 1.00 0.00 C ATOM 1152 OG1 THR A 71 -5.634 26.547 -17.908 1.00 0.00 O ATOM 1153 CG2 THR A 71 -5.389 25.096 -19.823 1.00 0.00 C ATOM 0 H THR A 71 -3.278 26.088 -17.990 1.00 0.00 H new ATOM 0 HA THR A 71 -3.750 27.026 -20.649 1.00 0.00 H new ATOM 0 HB THR A 71 -6.148 27.091 -19.835 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.499 26.122 -17.731 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.357 24.645 -19.606 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.219 25.089 -20.900 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.603 24.525 -19.328 1.00 0.00 H new ATOM 1161 N GLY A 72 -4.133 29.085 -18.087 1.00 0.00 N ATOM 1162 CA GLY A 72 -4.243 30.490 -17.739 1.00 0.00 C ATOM 1163 C GLY A 72 -5.053 30.713 -16.477 1.00 0.00 C ATOM 1164 O GLY A 72 -6.254 30.977 -16.541 1.00 0.00 O ATOM 0 H GLY A 72 -4.056 28.451 -17.292 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.245 30.907 -17.605 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.706 31.030 -18.565 1.00 0.00 H new TER 1168 GLY A 72