USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 730 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 28 SER OG : rot 169:sc= 1.44 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -172:sc= 1.08 (180deg=0.892) USER MOD Set 2.1: A 39 TYR OH : rot -167:sc= 1.06 USER MOD Set 2.2: A 83 HIS : no HD1:sc= 0.96 K(o=2,f=-2.5) USER MOD Set 3.1: A 20 CYS SG : rot -62:sc= 0.274 USER MOD Set 3.2: A 71 GLN : amide:sc= 0.24 X(o=0.51,f=0.79) USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= 2.5 (180deg=0.529) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.0119 (180deg=-1.06) USER MOD Single : A 30 GLN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD Single : A 31 THR OG1 : rot -150:sc= 0.0727 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 160:sc= 0 USER MOD Single : A 52 MET CE :methyl -171:sc= 0 (180deg=-0.0525) USER MOD Single : A 57 THR OG1 : rot -66:sc= 0.866 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0.881 (180deg=0.878) USER MOD Single : A 60 SER OG : rot -162:sc= 1.24 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -173:sc= 0 (180deg=-0.107) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 0.795 (180deg=0.429) USER MOD Single : A 80 GLN : amide:sc= 1.03 K(o=1,f=-0.068) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= 1.41 (180deg=1.17) USER MOD Single : A 101 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 104 G O2' : rot 22:sc= 0.81 USER MOD Single : B 104 G O5' : rot 180:sc= 0 USER MOD Single : B 105 U O2' : rot -24:sc= 1.19 USER MOD Single : B 106 A O2' : rot 18:sc= 0.148 USER MOD Single : B 107 G O2' : rot -149:sc= 0.401 USER MOD Single : B 108 U O2' : rot -128:sc= 0.753 USER MOD Single : B 108 U O3' : rot 37:sc= 0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 20 10.031 -4.538 7.543 1.00 0.00 N ATOM 2 CA CYS A 20 8.862 -5.346 7.101 1.00 0.00 C ATOM 3 C CYS A 20 7.835 -4.468 6.364 1.00 0.00 C ATOM 4 O CYS A 20 6.770 -4.179 6.908 1.00 0.00 O ATOM 5 CB CYS A 20 8.219 -6.080 8.306 1.00 0.00 C ATOM 6 SG CYS A 20 9.444 -7.128 9.148 1.00 0.00 S ATOM 0 HA CYS A 20 9.212 -6.102 6.398 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.813 -5.351 9.008 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.384 -6.691 7.963 1.00 0.00 H new ATOM 0 HG CYS A 20 9.872 -8.040 8.327 1.00 0.00 H new ATOM 12 N LYS A 21 8.130 -4.019 5.135 1.00 0.00 N ATOM 13 CA LYS A 21 7.311 -3.026 4.409 1.00 0.00 C ATOM 14 C LYS A 21 7.130 -3.368 2.920 1.00 0.00 C ATOM 15 O LYS A 21 8.011 -3.954 2.284 1.00 0.00 O ATOM 16 CB LYS A 21 7.917 -1.622 4.624 1.00 0.00 C ATOM 17 CG LYS A 21 7.020 -0.499 4.071 1.00 0.00 C ATOM 18 CD LYS A 21 7.460 0.891 4.549 1.00 0.00 C ATOM 19 CE LYS A 21 6.474 1.936 4.012 1.00 0.00 C ATOM 20 NZ LYS A 21 6.689 3.272 4.617 1.00 0.00 N ATOM 0 H LYS A 21 8.947 -4.334 4.611 1.00 0.00 H new ATOM 0 HA LYS A 21 6.302 -3.044 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.080 -1.460 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.893 -1.574 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.037 -0.528 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.989 -0.676 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.488 0.924 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.469 1.109 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.578 2.008 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.454 1.608 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.511 4.008 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.037 3.400 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.670 3.346 4.954 1.00 0.00 H new ATOM 34 N MET A 22 5.974 -2.989 2.368 1.00 0.00 N ATOM 35 CA MET A 22 5.523 -3.322 1.015 1.00 0.00 C ATOM 36 C MET A 22 4.845 -2.137 0.325 1.00 0.00 C ATOM 37 O MET A 22 4.027 -1.434 0.929 1.00 0.00 O ATOM 38 CB MET A 22 4.542 -4.503 1.068 1.00 0.00 C ATOM 39 CG MET A 22 5.209 -5.765 1.620 1.00 0.00 C ATOM 40 SD MET A 22 4.170 -7.244 1.545 1.00 0.00 S ATOM 41 CE MET A 22 4.377 -7.625 -0.209 1.00 0.00 C ATOM 0 H MET A 22 5.298 -2.417 2.874 1.00 0.00 H new ATOM 0 HA MET A 22 6.407 -3.588 0.436 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.688 -4.240 1.692 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.157 -4.702 0.068 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.127 -5.951 1.063 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.495 -5.588 2.657 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.172 -8.682 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.684 -7.022 -0.796 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.400 -7.401 -0.512 1.00 0.00 H new ATOM 51 N PHE A 23 5.193 -1.952 -0.948 1.00 0.00 N ATOM 52 CA PHE A 23 4.519 -1.074 -1.898 1.00 0.00 C ATOM 53 C PHE A 23 3.291 -1.824 -2.425 1.00 0.00 C ATOM 54 O PHE A 23 3.378 -3.010 -2.747 1.00 0.00 O ATOM 55 CB PHE A 23 5.494 -0.739 -3.037 1.00 0.00 C ATOM 56 CG PHE A 23 4.859 -0.083 -4.251 1.00 0.00 C ATOM 57 CD1 PHE A 23 4.276 -0.872 -5.265 1.00 0.00 C ATOM 58 CD2 PHE A 23 4.851 1.316 -4.380 1.00 0.00 C ATOM 59 CE1 PHE A 23 3.702 -0.272 -6.398 1.00 0.00 C ATOM 60 CE2 PHE A 23 4.281 1.910 -5.517 1.00 0.00 C ATOM 61 CZ PHE A 23 3.706 1.124 -6.527 1.00 0.00 C ATOM 0 H PHE A 23 5.991 -2.434 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 23 4.203 -0.140 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.269 -0.078 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.987 -1.657 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.271 -1.948 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.283 1.933 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.258 -0.885 -7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.285 2.985 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.270 1.591 -7.398 1.00 0.00 H new ATOM 71 N ILE A 24 2.150 -1.147 -2.525 1.00 0.00 N ATOM 72 CA ILE A 24 0.877 -1.748 -2.942 1.00 0.00 C ATOM 73 C ILE A 24 0.409 -1.063 -4.228 1.00 0.00 C ATOM 74 O ILE A 24 -0.152 0.028 -4.167 1.00 0.00 O ATOM 75 CB ILE A 24 -0.184 -1.646 -1.817 1.00 0.00 C ATOM 76 CG1 ILE A 24 0.321 -1.935 -0.384 1.00 0.00 C ATOM 77 CG2 ILE A 24 -1.366 -2.560 -2.174 1.00 0.00 C ATOM 78 CD1 ILE A 24 0.907 -3.327 -0.120 1.00 0.00 C ATOM 0 H ILE A 24 2.078 -0.151 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 24 1.019 -2.811 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.483 -0.598 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.082 -1.195 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.509 -1.781 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.122 -2.499 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.799 -2.241 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.017 -3.589 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.223 -3.398 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.150 -4.085 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.766 -3.490 -0.771 1.00 0.00 H new ATOM 90 N GLY A 25 0.645 -1.685 -5.387 1.00 0.00 N ATOM 91 CA GLY A 25 0.213 -1.179 -6.696 1.00 0.00 C ATOM 92 C GLY A 25 -1.165 -1.697 -7.105 1.00 0.00 C ATOM 93 O GLY A 25 -1.738 -2.569 -6.449 1.00 0.00 O ATOM 0 H GLY A 25 1.150 -2.569 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.194 -0.089 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.944 -1.468 -7.451 1.00 0.00 H new ATOM 97 N GLY A 26 -1.699 -1.176 -8.212 1.00 0.00 N ATOM 98 CA GLY A 26 -2.941 -1.663 -8.833 1.00 0.00 C ATOM 99 C GLY A 26 -4.221 -1.355 -8.043 1.00 0.00 C ATOM 100 O GLY A 26 -5.253 -1.977 -8.296 1.00 0.00 O ATOM 0 H GLY A 26 -1.278 -0.393 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.030 -1.224 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.865 -2.742 -8.967 1.00 0.00 H new ATOM 104 N LEU A 27 -4.161 -0.433 -7.074 1.00 0.00 N ATOM 105 CA LEU A 27 -5.300 -0.029 -6.242 1.00 0.00 C ATOM 106 C LEU A 27 -6.390 0.671 -7.063 1.00 0.00 C ATOM 107 O LEU A 27 -6.155 1.155 -8.171 1.00 0.00 O ATOM 108 CB LEU A 27 -4.830 0.889 -5.098 1.00 0.00 C ATOM 109 CG LEU A 27 -3.842 0.272 -4.092 1.00 0.00 C ATOM 110 CD1 LEU A 27 -3.586 1.302 -2.983 1.00 0.00 C ATOM 111 CD2 LEU A 27 -4.367 -1.042 -3.506 1.00 0.00 C ATOM 0 H LEU A 27 -3.301 0.063 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.733 -0.937 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.365 1.772 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.708 1.230 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.912 0.029 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.887 0.888 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.163 2.207 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.526 1.543 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.639 -1.443 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.309 -0.859 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.527 -1.760 -4.310 1.00 0.00 H new ATOM 123 N SER A 28 -7.587 0.768 -6.494 1.00 0.00 N ATOM 124 CA SER A 28 -8.682 1.543 -7.074 1.00 0.00 C ATOM 125 C SER A 28 -8.550 3.031 -6.735 1.00 0.00 C ATOM 126 O SER A 28 -8.041 3.401 -5.674 1.00 0.00 O ATOM 127 CB SER A 28 -10.017 1.026 -6.530 1.00 0.00 C ATOM 128 OG SER A 28 -11.108 1.506 -7.297 1.00 0.00 O ATOM 0 H SER A 28 -7.827 0.310 -5.615 1.00 0.00 H new ATOM 0 HA SER A 28 -8.642 1.428 -8.157 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.017 -0.064 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.134 1.338 -5.492 1.00 0.00 H new ATOM 0 HG SER A 28 -11.925 1.030 -7.038 1.00 0.00 H new ATOM 134 N TRP A 29 -9.090 3.908 -7.584 1.00 0.00 N ATOM 135 CA TRP A 29 -9.251 5.332 -7.274 1.00 0.00 C ATOM 136 C TRP A 29 -10.211 5.588 -6.089 1.00 0.00 C ATOM 137 O TRP A 29 -10.260 6.706 -5.576 1.00 0.00 O ATOM 138 CB TRP A 29 -9.680 6.068 -8.552 1.00 0.00 C ATOM 139 CG TRP A 29 -8.612 6.353 -9.568 1.00 0.00 C ATOM 140 CD1 TRP A 29 -7.340 5.892 -9.550 1.00 0.00 C ATOM 141 CD2 TRP A 29 -8.724 7.138 -10.797 1.00 0.00 C ATOM 142 NE1 TRP A 29 -6.659 6.352 -10.655 1.00 0.00 N ATOM 143 CE2 TRP A 29 -7.463 7.122 -11.465 1.00 0.00 C ATOM 144 CE3 TRP A 29 -9.772 7.843 -11.428 1.00 0.00 C ATOM 145 CZ2 TRP A 29 -7.250 7.773 -12.690 1.00 0.00 C ATOM 146 CZ3 TRP A 29 -9.572 8.499 -12.659 1.00 0.00 C ATOM 147 CH2 TRP A 29 -8.315 8.466 -13.289 1.00 0.00 C ATOM 0 H TRP A 29 -9.430 3.650 -8.511 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.293 5.728 -6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -10.459 5.479 -9.036 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.132 7.016 -8.261 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.921 5.258 -8.783 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.679 6.147 -10.850 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.744 7.880 -10.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.281 7.742 -13.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -10.390 9.031 -13.122 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.169 8.973 -14.232 1.00 0.00 H new ATOM 158 N GLN A 30 -10.924 4.555 -5.619 1.00 0.00 N ATOM 159 CA GLN A 30 -11.777 4.587 -4.424 1.00 0.00 C ATOM 160 C GLN A 30 -11.104 3.985 -3.171 1.00 0.00 C ATOM 161 O GLN A 30 -11.697 4.041 -2.089 1.00 0.00 O ATOM 162 CB GLN A 30 -13.098 3.845 -4.706 1.00 0.00 C ATOM 163 CG GLN A 30 -13.790 4.236 -6.024 1.00 0.00 C ATOM 164 CD GLN A 30 -15.189 3.623 -6.150 1.00 0.00 C ATOM 165 OE1 GLN A 30 -16.196 4.319 -6.215 1.00 0.00 O ATOM 166 NE2 GLN A 30 -15.320 2.312 -6.185 1.00 0.00 N ATOM 0 H GLN A 30 -10.922 3.643 -6.076 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.965 5.638 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.900 2.773 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.786 4.032 -3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -13.865 5.322 -6.085 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.176 3.911 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.494 1.715 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.247 1.894 -6.265 1.00 0.00 H new ATOM 175 N THR A 31 -9.896 3.401 -3.281 1.00 0.00 N ATOM 176 CA THR A 31 -9.199 2.738 -2.163 1.00 0.00 C ATOM 177 C THR A 31 -8.688 3.766 -1.149 1.00 0.00 C ATOM 178 O THR A 31 -8.206 4.836 -1.529 1.00 0.00 O ATOM 179 CB THR A 31 -8.043 1.866 -2.680 1.00 0.00 C ATOM 180 OG1 THR A 31 -8.535 0.907 -3.591 1.00 0.00 O ATOM 181 CG2 THR A 31 -7.352 1.090 -1.557 1.00 0.00 C ATOM 0 H THR A 31 -9.372 3.376 -4.156 1.00 0.00 H new ATOM 0 HA THR A 31 -9.916 2.091 -1.658 1.00 0.00 H new ATOM 0 HB THR A 31 -7.331 2.546 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.975 0.104 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.543 0.490 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.945 1.790 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.075 0.436 -1.068 1.00 0.00 H new ATOM 189 N THR A 32 -8.757 3.414 0.142 1.00 0.00 N ATOM 190 CA THR A 32 -8.249 4.193 1.285 1.00 0.00 C ATOM 191 C THR A 32 -7.255 3.362 2.092 1.00 0.00 C ATOM 192 O THR A 32 -7.218 2.138 1.980 1.00 0.00 O ATOM 193 CB THR A 32 -9.400 4.670 2.187 1.00 0.00 C ATOM 194 OG1 THR A 32 -10.025 3.546 2.769 1.00 0.00 O ATOM 195 CG2 THR A 32 -10.443 5.488 1.425 1.00 0.00 C ATOM 0 H THR A 32 -9.189 2.537 0.434 1.00 0.00 H new ATOM 0 HA THR A 32 -7.739 5.073 0.893 1.00 0.00 H new ATOM 0 HB THR A 32 -8.972 5.319 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.759 3.842 3.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.232 5.799 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.969 6.369 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.872 4.879 0.629 1.00 0.00 H new ATOM 203 N GLN A 33 -6.452 4.021 2.930 1.00 0.00 N ATOM 204 CA GLN A 33 -5.488 3.348 3.816 1.00 0.00 C ATOM 205 C GLN A 33 -6.165 2.477 4.887 1.00 0.00 C ATOM 206 O GLN A 33 -5.616 1.443 5.266 1.00 0.00 O ATOM 207 CB GLN A 33 -4.523 4.371 4.442 1.00 0.00 C ATOM 208 CG GLN A 33 -5.207 5.609 5.050 1.00 0.00 C ATOM 209 CD GLN A 33 -4.241 6.459 5.881 1.00 0.00 C ATOM 210 OE1 GLN A 33 -4.049 6.246 7.071 1.00 0.00 O ATOM 211 NE2 GLN A 33 -3.613 7.463 5.300 1.00 0.00 N ATOM 0 H GLN A 33 -6.449 5.037 3.017 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.910 2.662 3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.942 3.874 5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.818 4.700 3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.627 6.218 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.039 5.290 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.763 7.653 4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.978 8.049 5.842 1.00 0.00 H new ATOM 220 N GLU A 34 -7.382 2.830 5.312 1.00 0.00 N ATOM 221 CA GLU A 34 -8.205 1.970 6.169 1.00 0.00 C ATOM 222 C GLU A 34 -8.682 0.727 5.400 1.00 0.00 C ATOM 223 O GLU A 34 -8.687 -0.373 5.954 1.00 0.00 O ATOM 224 CB GLU A 34 -9.406 2.751 6.727 1.00 0.00 C ATOM 225 CG GLU A 34 -8.979 3.881 7.673 1.00 0.00 C ATOM 226 CD GLU A 34 -10.202 4.589 8.272 1.00 0.00 C ATOM 227 OE1 GLU A 34 -10.689 5.576 7.671 1.00 0.00 O ATOM 228 OE2 GLU A 34 -10.681 4.170 9.353 1.00 0.00 O ATOM 0 H GLU A 34 -7.824 3.718 5.073 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.590 1.639 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.980 3.170 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.067 2.066 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.361 3.475 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.366 4.602 7.131 1.00 0.00 H new ATOM 235 N GLY A 35 -8.994 0.872 4.104 1.00 0.00 N ATOM 236 CA GLY A 35 -9.326 -0.239 3.208 1.00 0.00 C ATOM 237 C GLY A 35 -8.133 -1.162 2.959 1.00 0.00 C ATOM 238 O GLY A 35 -8.324 -2.376 2.879 1.00 0.00 O ATOM 0 H GLY A 35 -9.022 1.782 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.145 -0.816 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.680 0.158 2.257 1.00 0.00 H new ATOM 242 N LEU A 36 -6.903 -0.625 2.915 1.00 0.00 N ATOM 243 CA LEU A 36 -5.689 -1.448 2.903 1.00 0.00 C ATOM 244 C LEU A 36 -5.586 -2.274 4.179 1.00 0.00 C ATOM 245 O LEU A 36 -5.475 -3.490 4.084 1.00 0.00 O ATOM 246 CB LEU A 36 -4.398 -0.626 2.696 1.00 0.00 C ATOM 247 CG LEU A 36 -4.302 0.201 1.403 1.00 0.00 C ATOM 248 CD1 LEU A 36 -2.859 0.685 1.217 1.00 0.00 C ATOM 249 CD2 LEU A 36 -4.735 -0.597 0.172 1.00 0.00 C ATOM 0 H LEU A 36 -6.726 0.379 2.887 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.780 -2.113 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.288 0.052 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.551 -1.311 2.725 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.981 1.048 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.787 1.272 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.570 1.303 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.193 -0.175 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.650 0.029 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.094 -1.472 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.770 -0.918 0.292 1.00 0.00 H new ATOM 261 N ARG A 37 -5.696 -1.661 5.362 1.00 0.00 N ATOM 262 CA ARG A 37 -5.682 -2.400 6.631 1.00 0.00 C ATOM 263 C ARG A 37 -6.774 -3.478 6.691 1.00 0.00 C ATOM 264 O ARG A 37 -6.521 -4.582 7.175 1.00 0.00 O ATOM 265 CB ARG A 37 -5.805 -1.408 7.794 1.00 0.00 C ATOM 266 CG ARG A 37 -5.751 -2.114 9.156 1.00 0.00 C ATOM 267 CD ARG A 37 -5.794 -1.080 10.280 1.00 0.00 C ATOM 268 NE ARG A 37 -5.523 -1.705 11.589 1.00 0.00 N ATOM 269 CZ ARG A 37 -4.482 -1.491 12.391 1.00 0.00 C ATOM 270 NH1 ARG A 37 -3.538 -0.618 12.110 1.00 0.00 N ATOM 271 NH2 ARG A 37 -4.374 -2.175 13.509 1.00 0.00 N ATOM 0 H ARG A 37 -5.796 -0.652 5.468 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.733 -2.931 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.001 -0.675 7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.743 -0.860 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.590 -2.803 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.840 -2.708 9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.059 -0.299 10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.772 -0.599 10.299 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.214 -2.380 11.918 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.587 -0.073 11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.758 -0.486 12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.085 -2.864 13.756 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.579 -2.017 14.129 1.00 0.00 H new ATOM 285 N GLU A 38 -7.958 -3.186 6.151 1.00 0.00 N ATOM 286 CA GLU A 38 -9.083 -4.118 6.087 1.00 0.00 C ATOM 287 C GLU A 38 -8.758 -5.396 5.284 1.00 0.00 C ATOM 288 O GLU A 38 -9.212 -6.486 5.637 1.00 0.00 O ATOM 289 CB GLU A 38 -10.307 -3.411 5.478 1.00 0.00 C ATOM 290 CG GLU A 38 -11.582 -3.875 6.175 1.00 0.00 C ATOM 291 CD GLU A 38 -12.832 -3.233 5.556 1.00 0.00 C ATOM 292 OE1 GLU A 38 -13.376 -3.787 4.571 1.00 0.00 O ATOM 293 OE2 GLU A 38 -13.291 -2.181 6.062 1.00 0.00 O ATOM 0 H GLU A 38 -8.165 -2.277 5.738 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.299 -4.433 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.200 -2.331 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.368 -3.627 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.659 -4.960 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.530 -3.624 7.234 1.00 0.00 H new ATOM 300 N TYR A 39 -7.940 -5.277 4.233 1.00 0.00 N ATOM 301 CA TYR A 39 -7.492 -6.397 3.397 1.00 0.00 C ATOM 302 C TYR A 39 -6.208 -7.066 3.914 1.00 0.00 C ATOM 303 O TYR A 39 -6.081 -8.292 3.877 1.00 0.00 O ATOM 304 CB TYR A 39 -7.286 -5.884 1.967 1.00 0.00 C ATOM 305 CG TYR A 39 -6.996 -6.999 0.985 1.00 0.00 C ATOM 306 CD1 TYR A 39 -8.026 -7.886 0.623 1.00 0.00 C ATOM 307 CD2 TYR A 39 -5.692 -7.191 0.486 1.00 0.00 C ATOM 308 CE1 TYR A 39 -7.756 -8.975 -0.225 1.00 0.00 C ATOM 309 CE2 TYR A 39 -5.420 -8.271 -0.373 1.00 0.00 C ATOM 310 CZ TYR A 39 -6.452 -9.171 -0.727 1.00 0.00 C ATOM 311 OH TYR A 39 -6.191 -10.232 -1.541 1.00 0.00 O ATOM 0 H TYR A 39 -7.562 -4.379 3.933 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.263 -7.166 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.178 -5.345 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.461 -5.171 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.027 -7.730 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.902 -6.509 0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.546 -9.661 -0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.423 -8.413 -0.762 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.222 -10.340 -1.638 1.00 0.00 H new ATOM 321 N PHE A 40 -5.258 -6.275 4.415 1.00 0.00 N ATOM 322 CA PHE A 40 -3.930 -6.734 4.826 1.00 0.00 C ATOM 323 C PHE A 40 -3.871 -7.301 6.253 1.00 0.00 C ATOM 324 O PHE A 40 -2.989 -8.109 6.547 1.00 0.00 O ATOM 325 CB PHE A 40 -2.897 -5.633 4.541 1.00 0.00 C ATOM 326 CG PHE A 40 -2.540 -5.586 3.062 1.00 0.00 C ATOM 327 CD1 PHE A 40 -1.892 -6.683 2.458 1.00 0.00 C ATOM 328 CD2 PHE A 40 -2.943 -4.502 2.261 1.00 0.00 C ATOM 329 CE1 PHE A 40 -1.666 -6.699 1.070 1.00 0.00 C ATOM 330 CE2 PHE A 40 -2.718 -4.516 0.875 1.00 0.00 C ATOM 331 CZ PHE A 40 -2.084 -5.617 0.277 1.00 0.00 C ATOM 0 H PHE A 40 -5.394 -5.273 4.550 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.672 -7.602 4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.295 -4.667 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.998 -5.813 5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.567 -7.516 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.430 -3.652 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.171 -7.543 0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.033 -3.680 0.269 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.918 -5.632 -0.790 1.00 0.00 H new ATOM 341 N GLY A 41 -4.878 -7.015 7.090 1.00 0.00 N ATOM 342 CA GLY A 41 -5.065 -7.631 8.411 1.00 0.00 C ATOM 343 C GLY A 41 -5.381 -9.135 8.371 1.00 0.00 C ATOM 344 O GLY A 41 -5.339 -9.791 9.409 1.00 0.00 O ATOM 0 H GLY A 41 -5.602 -6.333 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.162 -7.477 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.875 -7.116 8.928 1.00 0.00 H new ATOM 348 N GLN A 42 -5.656 -9.692 7.185 1.00 0.00 N ATOM 349 CA GLN A 42 -5.810 -11.137 6.957 1.00 0.00 C ATOM 350 C GLN A 42 -4.471 -11.890 7.047 1.00 0.00 C ATOM 351 O GLN A 42 -4.453 -13.083 7.360 1.00 0.00 O ATOM 352 CB GLN A 42 -6.413 -11.381 5.562 1.00 0.00 C ATOM 353 CG GLN A 42 -7.772 -10.702 5.344 1.00 0.00 C ATOM 354 CD GLN A 42 -8.336 -11.012 3.956 1.00 0.00 C ATOM 355 OE1 GLN A 42 -9.221 -11.841 3.779 1.00 0.00 O ATOM 356 NE2 GLN A 42 -7.837 -10.369 2.920 1.00 0.00 N ATOM 0 H GLN A 42 -5.781 -9.139 6.337 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.468 -11.515 7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.714 -11.022 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.525 -12.454 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.474 -11.038 6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.665 -9.624 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.100 -9.677 3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.188 -10.563 1.982 1.00 0.00 H new ATOM 365 N PHE A 43 -3.356 -11.200 6.778 1.00 0.00 N ATOM 366 CA PHE A 43 -2.009 -11.776 6.695 1.00 0.00 C ATOM 367 C PHE A 43 -1.178 -11.463 7.951 1.00 0.00 C ATOM 368 O PHE A 43 -0.441 -12.325 8.434 1.00 0.00 O ATOM 369 CB PHE A 43 -1.329 -11.247 5.421 1.00 0.00 C ATOM 370 CG PHE A 43 -2.136 -11.449 4.147 1.00 0.00 C ATOM 371 CD1 PHE A 43 -2.082 -12.669 3.451 1.00 0.00 C ATOM 372 CD2 PHE A 43 -2.968 -10.422 3.669 1.00 0.00 C ATOM 373 CE1 PHE A 43 -2.837 -12.851 2.278 1.00 0.00 C ATOM 374 CE2 PHE A 43 -3.727 -10.598 2.498 1.00 0.00 C ATOM 375 CZ PHE A 43 -3.660 -11.816 1.801 1.00 0.00 C ATOM 0 H PHE A 43 -3.367 -10.195 6.607 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.083 -12.862 6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.130 -10.183 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.364 -11.741 5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.458 -13.470 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.025 -9.487 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.784 -13.788 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.359 -9.800 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.240 -11.957 0.901 1.00 0.00 H new ATOM 385 N GLY A 44 -1.333 -10.258 8.508 1.00 0.00 N ATOM 386 CA GLY A 44 -0.720 -9.826 9.768 1.00 0.00 C ATOM 387 C GLY A 44 -1.186 -8.434 10.195 1.00 0.00 C ATOM 388 O GLY A 44 -1.658 -7.654 9.370 1.00 0.00 O ATOM 0 H GLY A 44 -1.908 -9.532 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.962 -10.544 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.365 -9.826 9.660 1.00 0.00 H new ATOM 392 N GLU A 45 -1.044 -8.114 11.482 1.00 0.00 N ATOM 393 CA GLU A 45 -1.349 -6.779 12.010 1.00 0.00 C ATOM 394 C GLU A 45 -0.403 -5.737 11.387 1.00 0.00 C ATOM 395 O GLU A 45 0.807 -5.962 11.316 1.00 0.00 O ATOM 396 CB GLU A 45 -1.262 -6.796 13.546 1.00 0.00 C ATOM 397 CG GLU A 45 -1.692 -5.463 14.174 1.00 0.00 C ATOM 398 CD GLU A 45 -1.856 -5.596 15.696 1.00 0.00 C ATOM 399 OE1 GLU A 45 -0.834 -5.634 16.421 1.00 0.00 O ATOM 400 OE2 GLU A 45 -3.012 -5.660 16.177 1.00 0.00 O ATOM 0 H GLU A 45 -0.715 -8.771 12.189 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.367 -6.497 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.892 -7.596 13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.239 -7.022 13.846 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.950 -4.696 13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.632 -5.135 13.731 1.00 0.00 H new ATOM 407 N VAL A 46 -0.948 -4.607 10.921 1.00 0.00 N ATOM 408 CA VAL A 46 -0.185 -3.572 10.208 1.00 0.00 C ATOM 409 C VAL A 46 0.331 -2.497 11.173 1.00 0.00 C ATOM 410 O VAL A 46 -0.387 -2.010 12.047 1.00 0.00 O ATOM 411 CB VAL A 46 -0.953 -2.975 9.001 1.00 0.00 C ATOM 412 CG1 VAL A 46 -1.525 -4.073 8.083 1.00 0.00 C ATOM 413 CG2 VAL A 46 -2.082 -2.010 9.379 1.00 0.00 C ATOM 0 H VAL A 46 -1.937 -4.382 11.028 1.00 0.00 H new ATOM 0 HA VAL A 46 0.687 -4.063 9.777 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.196 -2.397 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.055 -3.611 7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.710 -4.687 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.214 -4.699 8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.564 -1.641 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.816 -2.531 9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.671 -1.170 9.939 1.00 0.00 H new ATOM 423 N LYS A 47 1.602 -2.137 10.999 1.00 0.00 N ATOM 424 CA LYS A 47 2.337 -1.100 11.736 1.00 0.00 C ATOM 425 C LYS A 47 2.130 0.311 11.143 1.00 0.00 C ATOM 426 O LYS A 47 2.231 1.310 11.857 1.00 0.00 O ATOM 427 CB LYS A 47 3.816 -1.530 11.723 1.00 0.00 C ATOM 428 CG LYS A 47 4.723 -0.650 12.599 1.00 0.00 C ATOM 429 CD LYS A 47 6.188 -1.116 12.618 1.00 0.00 C ATOM 430 CE LYS A 47 6.347 -2.528 13.202 1.00 0.00 C ATOM 431 NZ LYS A 47 7.776 -2.911 13.346 1.00 0.00 N ATOM 0 H LYS A 47 2.187 -2.588 10.295 1.00 0.00 H new ATOM 0 HA LYS A 47 1.965 -1.018 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.888 -2.563 12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.183 -1.507 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.680 0.377 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.337 -0.645 13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.585 -1.099 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.782 -0.415 13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.859 -2.575 14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.842 -3.247 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.840 -3.870 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.236 -2.891 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.253 -2.240 13.982 1.00 0.00 H new ATOM 445 N GLU A 48 1.806 0.386 9.851 1.00 0.00 N ATOM 446 CA GLU A 48 1.579 1.605 9.068 1.00 0.00 C ATOM 447 C GLU A 48 0.836 1.220 7.782 1.00 0.00 C ATOM 448 O GLU A 48 1.063 0.144 7.230 1.00 0.00 O ATOM 449 CB GLU A 48 2.927 2.299 8.768 1.00 0.00 C ATOM 450 CG GLU A 48 2.845 3.536 7.863 1.00 0.00 C ATOM 451 CD GLU A 48 4.229 4.181 7.686 1.00 0.00 C ATOM 452 OE1 GLU A 48 5.017 3.708 6.832 1.00 0.00 O ATOM 453 OE2 GLU A 48 4.534 5.167 8.398 1.00 0.00 O ATOM 0 H GLU A 48 1.687 -0.455 9.287 1.00 0.00 H new ATOM 0 HA GLU A 48 0.970 2.315 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.384 2.591 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.594 1.573 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.444 3.253 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.154 4.261 8.293 1.00 0.00 H new ATOM 460 N CYS A 49 -0.041 2.100 7.300 1.00 0.00 N ATOM 461 CA CYS A 49 -0.802 1.942 6.059 1.00 0.00 C ATOM 462 C CYS A 49 -1.049 3.323 5.427 1.00 0.00 C ATOM 463 O CYS A 49 -1.391 4.277 6.130 1.00 0.00 O ATOM 464 CB CYS A 49 -2.094 1.145 6.336 1.00 0.00 C ATOM 465 SG CYS A 49 -3.056 1.869 7.703 1.00 0.00 S ATOM 0 H CYS A 49 -0.249 2.975 7.780 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.236 1.363 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.706 1.120 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.840 0.113 6.577 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.288 1.460 7.631 1.00 0.00 H new ATOM 471 N LEU A 50 -0.847 3.443 4.113 1.00 0.00 N ATOM 472 CA LEU A 50 -0.834 4.709 3.369 1.00 0.00 C ATOM 473 C LEU A 50 -1.451 4.538 1.978 1.00 0.00 C ATOM 474 O LEU A 50 -1.337 3.476 1.375 1.00 0.00 O ATOM 475 CB LEU A 50 0.620 5.186 3.172 1.00 0.00 C ATOM 476 CG LEU A 50 1.428 5.569 4.425 1.00 0.00 C ATOM 477 CD1 LEU A 50 2.873 5.855 3.991 1.00 0.00 C ATOM 478 CD2 LEU A 50 0.849 6.806 5.125 1.00 0.00 C ATOM 0 H LEU A 50 -0.682 2.634 3.515 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.411 5.432 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.163 4.397 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.601 6.051 2.509 1.00 0.00 H new ATOM 0 HG LEU A 50 1.385 4.744 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.467 6.129 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.297 4.964 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.882 6.675 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.449 7.041 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.863 7.653 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.178 6.604 5.430 1.00 0.00 H new ATOM 490 N VAL A 51 -2.019 5.618 1.442 1.00 0.00 N ATOM 491 CA VAL A 51 -2.476 5.745 0.048 1.00 0.00 C ATOM 492 C VAL A 51 -2.036 7.121 -0.445 1.00 0.00 C ATOM 493 O VAL A 51 -2.285 8.128 0.217 1.00 0.00 O ATOM 494 CB VAL A 51 -4.006 5.562 -0.085 1.00 0.00 C ATOM 495 CG1 VAL A 51 -4.514 5.935 -1.486 1.00 0.00 C ATOM 496 CG2 VAL A 51 -4.408 4.110 0.215 1.00 0.00 C ATOM 0 H VAL A 51 -2.182 6.466 1.985 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.034 4.956 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.463 6.234 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.593 5.791 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.278 6.979 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.031 5.300 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.488 4.004 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.911 3.442 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.110 3.853 1.231 1.00 0.00 H new ATOM 506 N MET A 52 -1.356 7.159 -1.590 1.00 0.00 N ATOM 507 CA MET A 52 -0.671 8.351 -2.109 1.00 0.00 C ATOM 508 C MET A 52 -1.581 9.194 -3.015 1.00 0.00 C ATOM 509 O MET A 52 -1.215 9.561 -4.134 1.00 0.00 O ATOM 510 CB MET A 52 0.638 7.909 -2.780 1.00 0.00 C ATOM 511 CG MET A 52 1.661 7.398 -1.758 1.00 0.00 C ATOM 512 SD MET A 52 2.367 8.717 -0.739 1.00 0.00 S ATOM 513 CE MET A 52 1.597 8.282 0.831 1.00 0.00 C ATOM 0 H MET A 52 -1.261 6.346 -2.199 1.00 0.00 H new ATOM 0 HA MET A 52 -0.419 9.022 -1.288 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.427 7.124 -3.506 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.064 8.747 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.183 6.663 -1.110 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.465 6.884 -2.284 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.781 9.073 1.558 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.523 8.163 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.020 7.347 1.197 1.00 0.00 H new ATOM 523 N ARG A 53 -2.795 9.484 -2.530 1.00 0.00 N ATOM 524 CA ARG A 53 -3.827 10.191 -3.290 1.00 0.00 C ATOM 525 C ARG A 53 -3.472 11.657 -3.587 1.00 0.00 C ATOM 526 O ARG A 53 -2.850 12.349 -2.779 1.00 0.00 O ATOM 527 CB ARG A 53 -5.206 10.046 -2.618 1.00 0.00 C ATOM 528 CG ARG A 53 -5.345 10.736 -1.255 1.00 0.00 C ATOM 529 CD ARG A 53 -6.747 10.495 -0.683 1.00 0.00 C ATOM 530 NE ARG A 53 -6.943 11.231 0.578 1.00 0.00 N ATOM 531 CZ ARG A 53 -8.069 11.303 1.280 1.00 0.00 C ATOM 532 NH1 ARG A 53 -9.170 10.689 0.902 1.00 0.00 N ATOM 533 NH2 ARG A 53 -8.100 12.008 2.391 1.00 0.00 N ATOM 0 H ARG A 53 -3.089 9.230 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.880 9.709 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.964 10.449 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.422 8.985 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.592 10.353 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.166 11.806 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.497 10.807 -1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.894 9.429 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.136 11.734 0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.177 10.136 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.016 10.766 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.262 12.496 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.962 12.067 2.934 1.00 0.00 H new ATOM 547 N ASP A 54 -3.909 12.138 -4.749 1.00 0.00 N ATOM 548 CA ASP A 54 -3.820 13.530 -5.181 1.00 0.00 C ATOM 549 C ASP A 54 -4.863 14.389 -4.430 1.00 0.00 C ATOM 550 O ASP A 54 -6.026 13.984 -4.363 1.00 0.00 O ATOM 551 CB ASP A 54 -4.062 13.563 -6.696 1.00 0.00 C ATOM 552 CG ASP A 54 -4.065 14.995 -7.235 1.00 0.00 C ATOM 553 OD1 ASP A 54 -2.977 15.522 -7.562 1.00 0.00 O ATOM 554 OD2 ASP A 54 -5.168 15.581 -7.291 1.00 0.00 O ATOM 0 H ASP A 54 -4.355 11.541 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.837 13.944 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.288 12.985 -7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.015 13.086 -6.923 1.00 0.00 H new ATOM 559 N PRO A 55 -4.498 15.557 -3.864 1.00 0.00 N ATOM 560 CA PRO A 55 -5.403 16.338 -3.022 1.00 0.00 C ATOM 561 C PRO A 55 -6.405 17.197 -3.810 1.00 0.00 C ATOM 562 O PRO A 55 -7.359 17.698 -3.215 1.00 0.00 O ATOM 563 CB PRO A 55 -4.481 17.205 -2.159 1.00 0.00 C ATOM 564 CG PRO A 55 -3.287 17.455 -3.080 1.00 0.00 C ATOM 565 CD PRO A 55 -3.159 16.131 -3.833 1.00 0.00 C ATOM 0 HA PRO A 55 -6.040 15.677 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.964 18.136 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.185 16.693 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.466 18.290 -3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.384 17.689 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.779 16.291 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.459 15.463 -3.331 1.00 0.00 H new ATOM 573 N LEU A 56 -6.233 17.368 -5.129 1.00 0.00 N ATOM 574 CA LEU A 56 -7.114 18.174 -5.971 1.00 0.00 C ATOM 575 C LEU A 56 -8.249 17.332 -6.568 1.00 0.00 C ATOM 576 O LEU A 56 -9.392 17.795 -6.621 1.00 0.00 O ATOM 577 CB LEU A 56 -6.273 18.816 -7.091 1.00 0.00 C ATOM 578 CG LEU A 56 -5.082 19.683 -6.627 1.00 0.00 C ATOM 579 CD1 LEU A 56 -4.366 20.263 -7.856 1.00 0.00 C ATOM 580 CD2 LEU A 56 -5.514 20.826 -5.696 1.00 0.00 C ATOM 0 H LEU A 56 -5.463 16.941 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.577 18.948 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.891 18.022 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.930 19.433 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.409 19.040 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.525 20.876 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.002 19.449 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.063 20.877 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.639 21.404 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.217 21.474 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.993 20.411 -4.809 1.00 0.00 H new ATOM 592 N THR A 57 -7.940 16.095 -6.978 1.00 0.00 N ATOM 593 CA THR A 57 -8.849 15.178 -7.691 1.00 0.00 C ATOM 594 C THR A 57 -9.292 13.988 -6.846 1.00 0.00 C ATOM 595 O THR A 57 -10.213 13.275 -7.239 1.00 0.00 O ATOM 596 CB THR A 57 -8.199 14.677 -8.988 1.00 0.00 C ATOM 597 OG1 THR A 57 -7.044 13.932 -8.682 1.00 0.00 O ATOM 598 CG2 THR A 57 -7.819 15.807 -9.947 1.00 0.00 C ATOM 0 H THR A 57 -7.019 15.688 -6.818 1.00 0.00 H new ATOM 0 HA THR A 57 -9.744 15.757 -7.921 1.00 0.00 H new ATOM 0 HB THR A 57 -8.943 14.059 -9.490 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.372 14.521 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.365 15.386 -10.844 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.713 16.367 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.108 16.474 -9.459 1.00 0.00 H new ATOM 606 N LYS A 58 -8.635 13.757 -5.702 1.00 0.00 N ATOM 607 CA LYS A 58 -8.859 12.665 -4.736 1.00 0.00 C ATOM 608 C LYS A 58 -8.531 11.260 -5.301 1.00 0.00 C ATOM 609 O LYS A 58 -8.655 10.262 -4.585 1.00 0.00 O ATOM 610 CB LYS A 58 -10.259 12.776 -4.088 1.00 0.00 C ATOM 611 CG LYS A 58 -10.398 13.899 -3.042 1.00 0.00 C ATOM 612 CD LYS A 58 -10.150 15.327 -3.553 1.00 0.00 C ATOM 613 CE LYS A 58 -10.569 16.356 -2.495 1.00 0.00 C ATOM 614 NZ LYS A 58 -10.259 17.742 -2.928 1.00 0.00 N ATOM 0 H LYS A 58 -7.877 14.371 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.134 12.792 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.996 12.937 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.501 11.825 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.402 13.854 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.701 13.699 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.095 15.455 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.711 15.493 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.638 16.265 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.056 16.144 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.586 18.413 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.232 17.844 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.741 17.941 -3.828 1.00 0.00 H new ATOM 628 N ARG A 59 -8.047 11.178 -6.549 1.00 0.00 N ATOM 629 CA ARG A 59 -7.522 9.968 -7.201 1.00 0.00 C ATOM 630 C ARG A 59 -6.372 9.391 -6.384 1.00 0.00 C ATOM 631 O ARG A 59 -5.444 10.110 -6.027 1.00 0.00 O ATOM 632 CB ARG A 59 -7.045 10.312 -8.623 1.00 0.00 C ATOM 633 CG ARG A 59 -8.199 10.765 -9.530 1.00 0.00 C ATOM 634 CD ARG A 59 -7.677 11.205 -10.900 1.00 0.00 C ATOM 635 NE ARG A 59 -8.776 11.678 -11.758 1.00 0.00 N ATOM 636 CZ ARG A 59 -8.662 12.139 -12.997 1.00 0.00 C ATOM 637 NH1 ARG A 59 -7.496 12.233 -13.603 1.00 0.00 N ATOM 638 NH2 ARG A 59 -9.736 12.520 -13.653 1.00 0.00 N ATOM 0 H ARG A 59 -8.009 11.993 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.314 9.221 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.295 11.101 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.561 9.440 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.912 9.950 -9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.735 11.589 -9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.941 12.000 -10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.167 10.372 -11.383 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.715 11.648 -11.362 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.645 11.947 -13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.444 12.592 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.652 12.461 -13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.653 12.875 -14.606 1.00 0.00 H new ATOM 652 N SER A 60 -6.406 8.093 -6.107 1.00 0.00 N ATOM 653 CA SER A 60 -5.402 7.382 -5.297 1.00 0.00 C ATOM 654 C SER A 60 -4.026 7.240 -5.973 1.00 0.00 C ATOM 655 O SER A 60 -3.097 6.707 -5.367 1.00 0.00 O ATOM 656 CB SER A 60 -5.951 5.986 -4.977 1.00 0.00 C ATOM 657 OG SER A 60 -6.022 5.208 -6.161 1.00 0.00 O ATOM 0 H SER A 60 -7.150 7.482 -6.445 1.00 0.00 H new ATOM 0 HA SER A 60 -5.234 7.979 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.310 5.493 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.940 6.070 -4.528 1.00 0.00 H new ATOM 0 HG SER A 60 -6.620 4.446 -6.016 1.00 0.00 H new ATOM 663 N ARG A 61 -3.920 7.653 -7.249 1.00 0.00 N ATOM 664 CA ARG A 61 -2.786 7.393 -8.157 1.00 0.00 C ATOM 665 C ARG A 61 -2.588 5.885 -8.430 1.00 0.00 C ATOM 666 O ARG A 61 -1.598 5.500 -9.053 1.00 0.00 O ATOM 667 CB ARG A 61 -1.476 8.061 -7.676 1.00 0.00 C ATOM 668 CG ARG A 61 -1.537 9.599 -7.655 1.00 0.00 C ATOM 669 CD ARG A 61 -0.198 10.220 -7.217 1.00 0.00 C ATOM 670 NE ARG A 61 0.903 9.920 -8.157 1.00 0.00 N ATOM 671 CZ ARG A 61 2.177 9.702 -7.841 1.00 0.00 C ATOM 672 NH1 ARG A 61 2.653 9.835 -6.624 1.00 0.00 N ATOM 673 NH2 ARG A 61 3.040 9.310 -8.748 1.00 0.00 N ATOM 0 H ARG A 61 -4.655 8.202 -7.696 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.048 7.859 -9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.242 7.702 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.659 7.747 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.800 9.966 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.326 9.922 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.314 11.300 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.064 9.848 -6.226 1.00 0.00 H new ATOM 0 HE ARG A 61 0.662 9.876 -9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.036 10.119 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.640 9.654 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.738 9.168 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.013 9.147 -8.489 1.00 0.00 H new ATOM 687 N GLY A 62 -3.503 5.022 -7.964 1.00 0.00 N ATOM 688 CA GLY A 62 -3.459 3.571 -8.140 1.00 0.00 C ATOM 689 C GLY A 62 -2.477 2.849 -7.221 1.00 0.00 C ATOM 690 O GLY A 62 -2.187 1.682 -7.483 1.00 0.00 O ATOM 0 H GLY A 62 -4.320 5.330 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.457 3.167 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.196 3.351 -9.175 1.00 0.00 H new ATOM 694 N PHE A 63 -1.966 3.489 -6.158 1.00 0.00 N ATOM 695 CA PHE A 63 -0.990 2.859 -5.264 1.00 0.00 C ATOM 696 C PHE A 63 -0.927 3.440 -3.841 1.00 0.00 C ATOM 697 O PHE A 63 -1.350 4.567 -3.564 1.00 0.00 O ATOM 698 CB PHE A 63 0.409 2.855 -5.911 1.00 0.00 C ATOM 699 CG PHE A 63 1.197 4.125 -5.675 1.00 0.00 C ATOM 700 CD1 PHE A 63 0.953 5.272 -6.452 1.00 0.00 C ATOM 701 CD2 PHE A 63 2.137 4.177 -4.630 1.00 0.00 C ATOM 702 CE1 PHE A 63 1.640 6.466 -6.178 1.00 0.00 C ATOM 703 CE2 PHE A 63 2.845 5.361 -4.380 1.00 0.00 C ATOM 704 CZ PHE A 63 2.586 6.511 -5.139 1.00 0.00 C ATOM 0 H PHE A 63 -2.215 4.444 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.349 1.838 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.976 2.009 -5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.302 2.700 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.237 5.234 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.314 3.304 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.441 7.350 -6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.592 5.387 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.112 7.430 -4.926 1.00 0.00 H new ATOM 714 N GLY A 64 -0.354 2.639 -2.941 1.00 0.00 N ATOM 715 CA GLY A 64 -0.055 2.981 -1.552 1.00 0.00 C ATOM 716 C GLY A 64 1.079 2.139 -0.968 1.00 0.00 C ATOM 717 O GLY A 64 1.900 1.585 -1.702 1.00 0.00 O ATOM 0 H GLY A 64 -0.072 1.687 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.213 4.036 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.952 2.845 -0.947 1.00 0.00 H new ATOM 721 N PHE A 65 1.108 2.030 0.360 1.00 0.00 N ATOM 722 CA PHE A 65 2.130 1.304 1.125 1.00 0.00 C ATOM 723 C PHE A 65 1.531 0.670 2.386 1.00 0.00 C ATOM 724 O PHE A 65 0.613 1.233 2.981 1.00 0.00 O ATOM 725 CB PHE A 65 3.269 2.255 1.531 1.00 0.00 C ATOM 726 CG PHE A 65 4.237 2.642 0.433 1.00 0.00 C ATOM 727 CD1 PHE A 65 5.397 1.869 0.231 1.00 0.00 C ATOM 728 CD2 PHE A 65 4.023 3.801 -0.339 1.00 0.00 C ATOM 729 CE1 PHE A 65 6.350 2.264 -0.723 1.00 0.00 C ATOM 730 CE2 PHE A 65 4.980 4.192 -1.288 1.00 0.00 C ATOM 731 CZ PHE A 65 6.145 3.433 -1.475 1.00 0.00 C ATOM 0 H PHE A 65 0.399 2.458 0.956 1.00 0.00 H new ATOM 0 HA PHE A 65 2.522 0.513 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.828 3.166 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.834 1.789 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.554 0.971 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.126 4.386 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.239 1.670 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.819 5.082 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.884 3.747 -2.197 1.00 0.00 H new ATOM 741 N VAL A 66 2.090 -0.462 2.825 1.00 0.00 N ATOM 742 CA VAL A 66 1.741 -1.123 4.100 1.00 0.00 C ATOM 743 C VAL A 66 2.998 -1.695 4.763 1.00 0.00 C ATOM 744 O VAL A 66 3.796 -2.369 4.109 1.00 0.00 O ATOM 745 CB VAL A 66 0.666 -2.228 3.920 1.00 0.00 C ATOM 746 CG1 VAL A 66 0.358 -2.979 5.227 1.00 0.00 C ATOM 747 CG2 VAL A 66 -0.668 -1.651 3.417 1.00 0.00 C ATOM 0 H VAL A 66 2.810 -0.958 2.300 1.00 0.00 H new ATOM 0 HA VAL A 66 1.307 -0.363 4.750 1.00 0.00 H new ATOM 0 HB VAL A 66 1.095 -2.914 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.400 -3.739 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.266 -3.456 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.011 -2.275 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.393 -2.457 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.043 -0.923 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.514 -1.164 2.454 1.00 0.00 H new ATOM 757 N THR A 67 3.148 -1.437 6.065 1.00 0.00 N ATOM 758 CA THR A 67 4.187 -1.988 6.952 1.00 0.00 C ATOM 759 C THR A 67 3.514 -2.937 7.927 1.00 0.00 C ATOM 760 O THR A 67 2.427 -2.635 8.408 1.00 0.00 O ATOM 761 CB THR A 67 4.896 -0.874 7.732 1.00 0.00 C ATOM 762 OG1 THR A 67 5.268 0.148 6.836 1.00 0.00 O ATOM 763 CG2 THR A 67 6.169 -1.349 8.433 1.00 0.00 C ATOM 0 H THR A 67 2.517 -0.806 6.559 1.00 0.00 H new ATOM 0 HA THR A 67 4.936 -2.506 6.353 1.00 0.00 H new ATOM 0 HB THR A 67 4.194 -0.529 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.721 0.865 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.623 -0.514 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.921 -2.140 9.140 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.871 -1.731 7.692 1.00 0.00 H new ATOM 771 N PHE A 68 4.156 -4.057 8.248 1.00 0.00 N ATOM 772 CA PHE A 68 3.619 -5.095 9.133 1.00 0.00 C ATOM 773 C PHE A 68 4.347 -5.123 10.485 1.00 0.00 C ATOM 774 O PHE A 68 5.520 -4.759 10.586 1.00 0.00 O ATOM 775 CB PHE A 68 3.699 -6.450 8.416 1.00 0.00 C ATOM 776 CG PHE A 68 2.792 -6.564 7.202 1.00 0.00 C ATOM 777 CD1 PHE A 68 3.222 -6.089 5.946 1.00 0.00 C ATOM 778 CD2 PHE A 68 1.511 -7.135 7.329 1.00 0.00 C ATOM 779 CE1 PHE A 68 2.381 -6.194 4.825 1.00 0.00 C ATOM 780 CE2 PHE A 68 0.670 -7.240 6.207 1.00 0.00 C ATOM 781 CZ PHE A 68 1.105 -6.770 4.955 1.00 0.00 C ATOM 0 H PHE A 68 5.087 -4.276 7.893 1.00 0.00 H new ATOM 0 HA PHE A 68 2.576 -4.870 9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.729 -6.624 8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.443 -7.239 9.123 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.201 -5.643 5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.174 -7.493 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.715 -5.832 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.310 -7.682 6.307 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.459 -6.851 4.093 1.00 0.00 H new ATOM 791 N MET A 69 3.655 -5.594 11.529 1.00 0.00 N ATOM 792 CA MET A 69 4.229 -5.826 12.867 1.00 0.00 C ATOM 793 C MET A 69 5.258 -6.972 12.903 1.00 0.00 C ATOM 794 O MET A 69 6.055 -7.049 13.838 1.00 0.00 O ATOM 795 CB MET A 69 3.104 -6.086 13.882 1.00 0.00 C ATOM 796 CG MET A 69 2.213 -4.862 14.128 1.00 0.00 C ATOM 797 SD MET A 69 3.038 -3.435 14.879 1.00 0.00 S ATOM 798 CE MET A 69 1.564 -2.461 15.274 1.00 0.00 C ATOM 0 H MET A 69 2.664 -5.830 11.471 1.00 0.00 H new ATOM 0 HA MET A 69 4.772 -4.920 13.136 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.486 -6.910 13.526 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.544 -6.403 14.828 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.782 -4.551 13.176 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.385 -5.161 14.771 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.864 -1.478 15.636 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.953 -2.347 14.379 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.987 -2.971 16.045 1.00 0.00 H new ATOM 808 N ASP A 70 5.283 -7.825 11.874 1.00 0.00 N ATOM 809 CA ASP A 70 6.250 -8.910 11.677 1.00 0.00 C ATOM 810 C ASP A 70 6.356 -9.296 10.191 1.00 0.00 C ATOM 811 O ASP A 70 5.420 -9.105 9.407 1.00 0.00 O ATOM 812 CB ASP A 70 5.858 -10.134 12.524 1.00 0.00 C ATOM 813 CG ASP A 70 7.002 -11.151 12.631 1.00 0.00 C ATOM 814 OD1 ASP A 70 7.866 -10.996 13.524 1.00 0.00 O ATOM 815 OD2 ASP A 70 7.045 -12.082 11.794 1.00 0.00 O ATOM 0 H ASP A 70 4.597 -7.776 11.120 1.00 0.00 H new ATOM 0 HA ASP A 70 7.228 -8.556 12.002 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.570 -9.806 13.523 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.985 -10.615 12.083 1.00 0.00 H new ATOM 820 N GLN A 71 7.493 -9.877 9.810 1.00 0.00 N ATOM 821 CA GLN A 71 7.765 -10.372 8.461 1.00 0.00 C ATOM 822 C GLN A 71 6.810 -11.494 8.028 1.00 0.00 C ATOM 823 O GLN A 71 6.570 -11.657 6.835 1.00 0.00 O ATOM 824 CB GLN A 71 9.223 -10.859 8.433 1.00 0.00 C ATOM 825 CG GLN A 71 9.774 -11.185 7.032 1.00 0.00 C ATOM 826 CD GLN A 71 9.813 -10.000 6.056 1.00 0.00 C ATOM 827 OE1 GLN A 71 9.605 -8.841 6.399 1.00 0.00 O ATOM 828 NE2 GLN A 71 10.086 -10.243 4.792 1.00 0.00 N ATOM 0 H GLN A 71 8.274 -10.021 10.451 1.00 0.00 H new ATOM 0 HA GLN A 71 7.604 -9.562 7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.854 -10.095 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.305 -11.750 9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.784 -11.581 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.166 -11.976 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.263 -11.199 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.121 -9.475 4.121 1.00 0.00 H new ATOM 837 N ALA A 72 6.214 -12.231 8.971 1.00 0.00 N ATOM 838 CA ALA A 72 5.280 -13.321 8.687 1.00 0.00 C ATOM 839 C ALA A 72 4.043 -12.888 7.880 1.00 0.00 C ATOM 840 O ALA A 72 3.479 -13.714 7.167 1.00 0.00 O ATOM 841 CB ALA A 72 4.867 -13.970 10.013 1.00 0.00 C ATOM 0 H ALA A 72 6.371 -12.083 9.968 1.00 0.00 H new ATOM 0 HA ALA A 72 5.798 -14.039 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.170 -14.785 9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.751 -14.361 10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.386 -13.226 10.648 1.00 0.00 H new ATOM 847 N GLY A 73 3.640 -11.610 7.936 1.00 0.00 N ATOM 848 CA GLY A 73 2.581 -11.078 7.070 1.00 0.00 C ATOM 849 C GLY A 73 3.089 -10.727 5.672 1.00 0.00 C ATOM 850 O GLY A 73 2.410 -11.019 4.688 1.00 0.00 O ATOM 0 H GLY A 73 4.036 -10.923 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.780 -11.813 6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.152 -10.188 7.531 1.00 0.00 H new ATOM 854 N VAL A 74 4.304 -10.180 5.576 1.00 0.00 N ATOM 855 CA VAL A 74 4.978 -9.893 4.296 1.00 0.00 C ATOM 856 C VAL A 74 5.149 -11.194 3.505 1.00 0.00 C ATOM 857 O VAL A 74 4.738 -11.263 2.350 1.00 0.00 O ATOM 858 CB VAL A 74 6.344 -9.187 4.499 1.00 0.00 C ATOM 859 CG1 VAL A 74 7.145 -9.027 3.194 1.00 0.00 C ATOM 860 CG2 VAL A 74 6.161 -7.803 5.143 1.00 0.00 C ATOM 0 H VAL A 74 4.858 -9.919 6.392 1.00 0.00 H new ATOM 0 HA VAL A 74 4.351 -9.204 3.731 1.00 0.00 H new ATOM 0 HB VAL A 74 6.913 -9.838 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.090 -8.526 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.343 -10.010 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.570 -8.432 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.135 -7.331 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.540 -7.181 4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.679 -7.914 6.114 1.00 0.00 H new ATOM 870 N ASP A 75 5.660 -12.250 4.150 1.00 0.00 N ATOM 871 CA ASP A 75 5.877 -13.570 3.549 1.00 0.00 C ATOM 872 C ASP A 75 4.615 -14.127 2.872 1.00 0.00 C ATOM 873 O ASP A 75 4.664 -14.555 1.719 1.00 0.00 O ATOM 874 CB ASP A 75 6.356 -14.535 4.644 1.00 0.00 C ATOM 875 CG ASP A 75 6.775 -15.895 4.064 1.00 0.00 C ATOM 876 OD1 ASP A 75 7.864 -15.971 3.445 1.00 0.00 O ATOM 877 OD2 ASP A 75 6.027 -16.885 4.245 1.00 0.00 O ATOM 0 H ASP A 75 5.941 -12.208 5.130 1.00 0.00 H new ATOM 0 HA ASP A 75 6.630 -13.466 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.198 -14.092 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.559 -14.681 5.374 1.00 0.00 H new ATOM 882 N LYS A 76 3.466 -14.046 3.551 1.00 0.00 N ATOM 883 CA LYS A 76 2.192 -14.545 3.021 1.00 0.00 C ATOM 884 C LYS A 76 1.707 -13.757 1.795 1.00 0.00 C ATOM 885 O LYS A 76 1.163 -14.351 0.862 1.00 0.00 O ATOM 886 CB LYS A 76 1.128 -14.475 4.116 1.00 0.00 C ATOM 887 CG LYS A 76 1.385 -15.391 5.317 1.00 0.00 C ATOM 888 CD LYS A 76 0.444 -14.954 6.449 1.00 0.00 C ATOM 889 CE LYS A 76 0.734 -15.715 7.741 1.00 0.00 C ATOM 890 NZ LYS A 76 -0.114 -15.224 8.857 1.00 0.00 N ATOM 0 H LYS A 76 3.392 -13.634 4.481 1.00 0.00 H new ATOM 0 HA LYS A 76 2.356 -15.574 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.057 -13.446 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.161 -14.730 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.203 -16.432 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.425 -15.321 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.554 -13.884 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.590 -15.123 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.556 -16.779 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.786 -15.603 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.365 -15.405 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.274 -14.202 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.028 -15.721 8.843 1.00 0.00 H new ATOM 904 N VAL A 77 1.927 -12.438 1.772 1.00 0.00 N ATOM 905 CA VAL A 77 1.495 -11.570 0.659 1.00 0.00 C ATOM 906 C VAL A 77 2.324 -11.842 -0.607 1.00 0.00 C ATOM 907 O VAL A 77 1.797 -11.791 -1.714 1.00 0.00 O ATOM 908 CB VAL A 77 1.529 -10.074 1.051 1.00 0.00 C ATOM 909 CG1 VAL A 77 1.175 -9.134 -0.111 1.00 0.00 C ATOM 910 CG2 VAL A 77 0.512 -9.783 2.172 1.00 0.00 C ATOM 0 H VAL A 77 2.408 -11.938 2.520 1.00 0.00 H new ATOM 0 HA VAL A 77 0.457 -11.816 0.435 1.00 0.00 H new ATOM 0 HB VAL A 77 2.555 -9.887 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.218 -8.100 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.887 -9.277 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.169 -9.357 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.551 -8.726 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.491 -10.035 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.756 -10.383 3.049 1.00 0.00 H new ATOM 920 N LEU A 78 3.602 -12.214 -0.458 1.00 0.00 N ATOM 921 CA LEU A 78 4.460 -12.618 -1.578 1.00 0.00 C ATOM 922 C LEU A 78 4.145 -14.036 -2.062 1.00 0.00 C ATOM 923 O LEU A 78 4.179 -14.307 -3.263 1.00 0.00 O ATOM 924 CB LEU A 78 5.920 -12.566 -1.119 1.00 0.00 C ATOM 925 CG LEU A 78 6.365 -11.201 -0.571 1.00 0.00 C ATOM 926 CD1 LEU A 78 7.695 -11.435 0.139 1.00 0.00 C ATOM 927 CD2 LEU A 78 6.468 -10.140 -1.671 1.00 0.00 C ATOM 0 H LEU A 78 4.071 -12.243 0.447 1.00 0.00 H new ATOM 0 HA LEU A 78 4.279 -11.933 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.073 -13.321 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.562 -12.834 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 78 5.625 -10.803 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.059 -10.493 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.555 -12.153 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.423 -11.826 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.786 -9.193 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.197 -10.458 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.495 -10.012 -2.146 1.00 0.00 H new ATOM 939 N ALA A 79 3.837 -14.938 -1.125 1.00 0.00 N ATOM 940 CA ALA A 79 3.555 -16.345 -1.406 1.00 0.00 C ATOM 941 C ALA A 79 2.213 -16.590 -2.138 1.00 0.00 C ATOM 942 O ALA A 79 1.995 -17.686 -2.660 1.00 0.00 O ATOM 943 CB ALA A 79 3.625 -17.123 -0.085 1.00 0.00 C ATOM 0 H ALA A 79 3.776 -14.705 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 79 4.312 -16.703 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.417 -18.177 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.621 -17.020 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.886 -16.726 0.611 1.00 0.00 H new ATOM 949 N GLN A 80 1.324 -15.590 -2.192 1.00 0.00 N ATOM 950 CA GLN A 80 0.036 -15.639 -2.893 1.00 0.00 C ATOM 951 C GLN A 80 0.136 -14.919 -4.254 1.00 0.00 C ATOM 952 O GLN A 80 0.678 -13.819 -4.356 1.00 0.00 O ATOM 953 CB GLN A 80 -1.039 -15.042 -1.968 1.00 0.00 C ATOM 954 CG GLN A 80 -2.451 -15.103 -2.576 1.00 0.00 C ATOM 955 CD GLN A 80 -3.551 -14.702 -1.586 1.00 0.00 C ATOM 956 OE1 GLN A 80 -3.613 -15.163 -0.453 1.00 0.00 O ATOM 957 NE2 GLN A 80 -4.479 -13.852 -1.974 1.00 0.00 N ATOM 0 H GLN A 80 1.488 -14.694 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.246 -16.667 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.034 -15.578 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.787 -14.004 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.495 -14.445 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.643 -16.115 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.447 -13.456 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.230 -13.590 -1.335 1.00 0.00 H new ATOM 966 N SER A 81 -0.379 -15.536 -5.322 1.00 0.00 N ATOM 967 CA SER A 81 -0.159 -15.083 -6.712 1.00 0.00 C ATOM 968 C SER A 81 -1.170 -14.041 -7.238 1.00 0.00 C ATOM 969 O SER A 81 -1.027 -13.570 -8.372 1.00 0.00 O ATOM 970 CB SER A 81 -0.153 -16.302 -7.651 1.00 0.00 C ATOM 971 OG SER A 81 0.760 -17.305 -7.215 1.00 0.00 O ATOM 0 H SER A 81 -0.964 -16.369 -5.253 1.00 0.00 H new ATOM 0 HA SER A 81 0.804 -14.573 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.157 -16.724 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.113 -15.983 -8.659 1.00 0.00 H new ATOM 0 HG SER A 81 0.734 -18.063 -7.835 1.00 0.00 H new ATOM 977 N ARG A 82 -2.198 -13.686 -6.452 1.00 0.00 N ATOM 978 CA ARG A 82 -3.353 -12.881 -6.873 1.00 0.00 C ATOM 979 C ARG A 82 -4.037 -12.230 -5.664 1.00 0.00 C ATOM 980 O ARG A 82 -4.279 -12.887 -4.653 1.00 0.00 O ATOM 981 CB ARG A 82 -4.323 -13.813 -7.623 1.00 0.00 C ATOM 982 CG ARG A 82 -5.625 -13.180 -8.132 1.00 0.00 C ATOM 983 CD ARG A 82 -5.426 -12.105 -9.214 1.00 0.00 C ATOM 984 NE ARG A 82 -6.678 -11.874 -9.960 1.00 0.00 N ATOM 985 CZ ARG A 82 -7.738 -11.179 -9.562 1.00 0.00 C ATOM 986 NH1 ARG A 82 -7.759 -10.425 -8.490 1.00 0.00 N ATOM 987 NH2 ARG A 82 -8.863 -11.221 -10.235 1.00 0.00 N ATOM 0 H ARG A 82 -2.249 -13.962 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.031 -12.070 -7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.795 -14.240 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.582 -14.640 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.266 -13.966 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.153 -12.736 -7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.096 -11.175 -8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.640 -12.416 -9.902 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.736 -12.296 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.927 -10.346 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.607 -9.917 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.933 -11.793 -11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.668 -10.682 -9.917 1.00 0.00 H new ATOM 1001 N HIS A 83 -4.390 -10.953 -5.786 1.00 0.00 N ATOM 1002 CA HIS A 83 -5.066 -10.163 -4.751 1.00 0.00 C ATOM 1003 C HIS A 83 -6.132 -9.238 -5.374 1.00 0.00 C ATOM 1004 O HIS A 83 -6.096 -8.966 -6.579 1.00 0.00 O ATOM 1005 CB HIS A 83 -4.008 -9.354 -3.984 1.00 0.00 C ATOM 1006 CG HIS A 83 -3.047 -10.186 -3.176 1.00 0.00 C ATOM 1007 ND1 HIS A 83 -3.277 -10.710 -1.925 1.00 0.00 N ATOM 1008 CD2 HIS A 83 -1.776 -10.545 -3.536 1.00 0.00 C ATOM 1009 CE1 HIS A 83 -2.172 -11.366 -1.536 1.00 0.00 C ATOM 1010 NE2 HIS A 83 -1.230 -11.297 -2.492 1.00 0.00 N ATOM 0 H HIS A 83 -4.209 -10.418 -6.635 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.585 -10.828 -4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.440 -8.756 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.516 -8.658 -3.316 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.282 -10.292 -4.463 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.057 -11.876 -0.591 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.299 -11.712 -2.462 1.00 0.00 H new ATOM 1018 N GLU A 84 -7.085 -8.752 -4.572 1.00 0.00 N ATOM 1019 CA GLU A 84 -8.213 -7.935 -5.040 1.00 0.00 C ATOM 1020 C GLU A 84 -8.834 -7.121 -3.897 1.00 0.00 C ATOM 1021 O GLU A 84 -9.083 -7.651 -2.813 1.00 0.00 O ATOM 1022 CB GLU A 84 -9.276 -8.833 -5.702 1.00 0.00 C ATOM 1023 CG GLU A 84 -10.098 -8.068 -6.745 1.00 0.00 C ATOM 1024 CD GLU A 84 -11.018 -9.011 -7.527 1.00 0.00 C ATOM 1025 OE1 GLU A 84 -10.504 -9.726 -8.421 1.00 0.00 O ATOM 1026 OE2 GLU A 84 -12.240 -9.035 -7.257 1.00 0.00 O ATOM 0 H GLU A 84 -7.096 -8.916 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.833 -7.228 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.788 -9.684 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.941 -9.233 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.694 -7.301 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.428 -7.555 -7.435 1.00 0.00 H new ATOM 1033 N LEU A 85 -9.112 -5.840 -4.156 1.00 0.00 N ATOM 1034 CA LEU A 85 -9.692 -4.880 -3.209 1.00 0.00 C ATOM 1035 C LEU A 85 -10.466 -3.815 -4.003 1.00 0.00 C ATOM 1036 O LEU A 85 -9.971 -3.327 -5.016 1.00 0.00 O ATOM 1037 CB LEU A 85 -8.551 -4.301 -2.344 1.00 0.00 C ATOM 1038 CG LEU A 85 -8.955 -3.179 -1.368 1.00 0.00 C ATOM 1039 CD1 LEU A 85 -9.978 -3.653 -0.323 1.00 0.00 C ATOM 1040 CD2 LEU A 85 -7.700 -2.663 -0.654 1.00 0.00 C ATOM 0 H LEU A 85 -8.932 -5.425 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.404 -5.347 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.107 -5.114 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.775 -3.918 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.426 -2.386 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.230 -2.826 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.879 -4.001 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.551 -4.469 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.976 -1.868 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.234 -3.479 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.997 -2.274 -1.390 1.00 0.00 H new ATOM 1052 N ASP A 86 -11.704 -3.516 -3.591 1.00 0.00 N ATOM 1053 CA ASP A 86 -12.678 -2.688 -4.339 1.00 0.00 C ATOM 1054 C ASP A 86 -13.007 -3.282 -5.733 1.00 0.00 C ATOM 1055 O ASP A 86 -13.260 -2.561 -6.697 1.00 0.00 O ATOM 1056 CB ASP A 86 -12.232 -1.211 -4.379 1.00 0.00 C ATOM 1057 CG ASP A 86 -13.349 -0.266 -4.860 1.00 0.00 C ATOM 1058 OD1 ASP A 86 -14.435 -0.258 -4.234 1.00 0.00 O ATOM 1059 OD2 ASP A 86 -13.127 0.499 -5.831 1.00 0.00 O ATOM 0 H ASP A 86 -12.074 -3.850 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.624 -2.707 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.908 -0.907 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.370 -1.114 -5.039 1.00 0.00 H new ATOM 1064 N SER A 87 -12.943 -4.614 -5.850 1.00 0.00 N ATOM 1065 CA SER A 87 -13.122 -5.388 -7.095 1.00 0.00 C ATOM 1066 C SER A 87 -12.026 -5.110 -8.154 1.00 0.00 C ATOM 1067 O SER A 87 -12.200 -5.412 -9.337 1.00 0.00 O ATOM 1068 CB SER A 87 -14.541 -5.218 -7.672 1.00 0.00 C ATOM 1069 OG SER A 87 -15.544 -5.567 -6.719 1.00 0.00 O ATOM 0 H SER A 87 -12.757 -5.213 -5.046 1.00 0.00 H new ATOM 0 HA SER A 87 -13.004 -6.436 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.684 -4.185 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.650 -5.841 -8.560 1.00 0.00 H new ATOM 0 HG SER A 87 -16.431 -5.446 -7.118 1.00 0.00 H new ATOM 1075 N LYS A 88 -10.885 -4.539 -7.742 1.00 0.00 N ATOM 1076 CA LYS A 88 -9.749 -4.168 -8.594 1.00 0.00 C ATOM 1077 C LYS A 88 -8.528 -5.020 -8.232 1.00 0.00 C ATOM 1078 O LYS A 88 -8.254 -5.252 -7.050 1.00 0.00 O ATOM 1079 CB LYS A 88 -9.445 -2.670 -8.411 1.00 0.00 C ATOM 1080 CG LYS A 88 -10.510 -1.768 -9.054 1.00 0.00 C ATOM 1081 CD LYS A 88 -10.103 -1.292 -10.454 1.00 0.00 C ATOM 1082 CE LYS A 88 -11.159 -0.335 -11.038 1.00 0.00 C ATOM 1083 NZ LYS A 88 -11.230 0.964 -10.311 1.00 0.00 N ATOM 0 H LYS A 88 -10.723 -4.313 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.995 -4.352 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.377 -2.444 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.472 -2.445 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.453 -2.311 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.684 -0.902 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.138 -0.788 -10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.981 -2.151 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.930 -0.146 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.136 -0.817 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.044 1.512 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.341 0.786 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.355 1.502 -10.475 1.00 0.00 H new ATOM 1097 N THR A 89 -7.818 -5.511 -9.251 1.00 0.00 N ATOM 1098 CA THR A 89 -6.701 -6.464 -9.097 1.00 0.00 C ATOM 1099 C THR A 89 -5.462 -5.718 -8.623 1.00 0.00 C ATOM 1100 O THR A 89 -4.881 -4.945 -9.386 1.00 0.00 O ATOM 1101 CB THR A 89 -6.440 -7.209 -10.409 1.00 0.00 C ATOM 1102 OG1 THR A 89 -7.635 -7.860 -10.782 1.00 0.00 O ATOM 1103 CG2 THR A 89 -5.342 -8.263 -10.251 1.00 0.00 C ATOM 0 H THR A 89 -8.001 -5.258 -10.222 1.00 0.00 H new ATOM 0 HA THR A 89 -6.964 -7.212 -8.349 1.00 0.00 H new ATOM 0 HB THR A 89 -6.116 -6.491 -11.162 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.495 -8.344 -11.622 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.185 -8.771 -11.203 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.416 -7.780 -9.941 1.00 0.00 H new ATOM 0 HG23 THR A 89 -5.642 -8.991 -9.497 1.00 0.00 H new ATOM 1111 N ILE A 90 -5.060 -5.940 -7.370 1.00 0.00 N ATOM 1112 CA ILE A 90 -3.914 -5.245 -6.759 1.00 0.00 C ATOM 1113 C ILE A 90 -2.619 -6.056 -6.906 1.00 0.00 C ATOM 1114 O ILE A 90 -2.643 -7.277 -7.073 1.00 0.00 O ATOM 1115 CB ILE A 90 -4.205 -4.798 -5.303 1.00 0.00 C ATOM 1116 CG1 ILE A 90 -4.184 -5.944 -4.278 1.00 0.00 C ATOM 1117 CG2 ILE A 90 -5.544 -4.034 -5.232 1.00 0.00 C ATOM 1118 CD1 ILE A 90 -4.283 -5.441 -2.834 1.00 0.00 C ATOM 0 H ILE A 90 -5.516 -6.606 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.756 -4.321 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.385 -4.136 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.012 -6.623 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.265 -6.517 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.734 -3.727 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.494 -3.152 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.351 -4.683 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.264 -6.290 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.441 -4.783 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.215 -4.891 -2.703 1.00 0.00 H new ATOM 1130 N ASP A 91 -1.482 -5.370 -6.826 1.00 0.00 N ATOM 1131 CA ASP A 91 -0.142 -5.906 -7.086 1.00 0.00 C ATOM 1132 C ASP A 91 0.843 -5.462 -5.981 1.00 0.00 C ATOM 1133 O ASP A 91 1.567 -4.474 -6.152 1.00 0.00 O ATOM 1134 CB ASP A 91 0.284 -5.468 -8.497 1.00 0.00 C ATOM 1135 CG ASP A 91 1.671 -5.981 -8.910 1.00 0.00 C ATOM 1136 OD1 ASP A 91 2.082 -7.080 -8.472 1.00 0.00 O ATOM 1137 OD2 ASP A 91 2.340 -5.271 -9.698 1.00 0.00 O ATOM 0 H ASP A 91 -1.465 -4.383 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.143 -6.996 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.454 -5.823 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.279 -4.379 -8.547 1.00 0.00 H new ATOM 1142 N PRO A 92 0.844 -6.157 -4.824 1.00 0.00 N ATOM 1143 CA PRO A 92 1.699 -5.845 -3.689 1.00 0.00 C ATOM 1144 C PRO A 92 3.065 -6.538 -3.799 1.00 0.00 C ATOM 1145 O PRO A 92 3.172 -7.670 -4.272 1.00 0.00 O ATOM 1146 CB PRO A 92 0.911 -6.285 -2.456 1.00 0.00 C ATOM 1147 CG PRO A 92 -0.102 -7.319 -2.953 1.00 0.00 C ATOM 1148 CD PRO A 92 -0.079 -7.227 -4.474 1.00 0.00 C ATOM 0 HA PRO A 92 1.937 -4.783 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.572 -6.716 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.408 -5.437 -1.991 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.166 -8.321 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.098 -7.109 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.243 -8.172 -4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.076 -7.018 -4.862 1.00 0.00 H new ATOM 1156 N LYS A 93 4.115 -5.844 -3.351 1.00 0.00 N ATOM 1157 CA LYS A 93 5.529 -6.219 -3.528 1.00 0.00 C ATOM 1158 C LYS A 93 6.444 -5.561 -2.473 1.00 0.00 C ATOM 1159 O LYS A 93 6.057 -4.581 -1.839 1.00 0.00 O ATOM 1160 CB LYS A 93 5.958 -5.870 -4.972 1.00 0.00 C ATOM 1161 CG LYS A 93 5.974 -4.350 -5.235 1.00 0.00 C ATOM 1162 CD LYS A 93 5.997 -3.974 -6.724 1.00 0.00 C ATOM 1163 CE LYS A 93 4.684 -4.375 -7.412 1.00 0.00 C ATOM 1164 NZ LYS A 93 4.612 -3.896 -8.813 1.00 0.00 N ATOM 0 H LYS A 93 4.004 -4.971 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 93 5.635 -7.293 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.951 -6.278 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.277 -6.350 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.095 -3.902 -4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.847 -3.916 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.154 -2.901 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.835 -4.469 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.585 -5.460 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.843 -3.970 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.954 -4.495 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.275 -2.912 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.557 -3.944 -9.245 1.00 0.00 H new ATOM 1178 N VAL A 94 7.661 -6.077 -2.280 1.00 0.00 N ATOM 1179 CA VAL A 94 8.612 -5.577 -1.260 1.00 0.00 C ATOM 1180 C VAL A 94 8.990 -4.113 -1.542 1.00 0.00 C ATOM 1181 O VAL A 94 9.285 -3.746 -2.681 1.00 0.00 O ATOM 1182 CB VAL A 94 9.881 -6.463 -1.158 1.00 0.00 C ATOM 1183 CG1 VAL A 94 10.832 -5.982 -0.049 1.00 0.00 C ATOM 1184 CG2 VAL A 94 9.513 -7.930 -0.866 1.00 0.00 C ATOM 0 H VAL A 94 8.025 -6.858 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 94 8.107 -5.629 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 94 10.382 -6.385 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.707 -6.631 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.147 -4.960 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.317 -6.014 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.423 -8.527 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.971 -7.988 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.884 -8.314 -1.669 1.00 0.00 H new ATOM 1194 N ALA A 95 8.963 -3.274 -0.502 1.00 0.00 N ATOM 1195 CA ALA A 95 9.312 -1.855 -0.592 1.00 0.00 C ATOM 1196 C ALA A 95 10.838 -1.642 -0.666 1.00 0.00 C ATOM 1197 O ALA A 95 11.603 -2.333 0.015 1.00 0.00 O ATOM 1198 CB ALA A 95 8.693 -1.128 0.608 1.00 0.00 C ATOM 0 H ALA A 95 8.695 -3.566 0.438 1.00 0.00 H new ATOM 0 HA ALA A 95 8.909 -1.441 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.942 -0.068 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.610 -1.248 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.087 -1.551 1.532 1.00 0.00 H new ATOM 1204 N PHE A 96 11.285 -0.672 -1.472 1.00 0.00 N ATOM 1205 CA PHE A 96 12.701 -0.292 -1.592 1.00 0.00 C ATOM 1206 C PHE A 96 13.313 0.112 -0.225 1.00 0.00 C ATOM 1207 O PHE A 96 12.591 0.681 0.603 1.00 0.00 O ATOM 1208 CB PHE A 96 12.851 0.865 -2.600 1.00 0.00 C ATOM 1209 CG PHE A 96 12.356 0.642 -4.024 1.00 0.00 C ATOM 1210 CD1 PHE A 96 12.368 -0.635 -4.626 1.00 0.00 C ATOM 1211 CD2 PHE A 96 11.911 1.749 -4.774 1.00 0.00 C ATOM 1212 CE1 PHE A 96 11.920 -0.800 -5.949 1.00 0.00 C ATOM 1213 CE2 PHE A 96 11.466 1.584 -6.097 1.00 0.00 C ATOM 1214 CZ PHE A 96 11.466 0.308 -6.684 1.00 0.00 C ATOM 0 H PHE A 96 10.667 -0.121 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 96 13.247 -1.165 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 96 12.326 1.730 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 96 13.907 1.128 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.723 -1.489 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.912 2.733 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.925 -1.781 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.124 2.438 -6.662 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.118 0.179 -7.698 1.00 0.00 H new ATOM 1224 N PRO A 97 14.621 -0.139 0.016 1.00 0.00 N ATOM 1225 CA PRO A 97 15.315 0.229 1.255 1.00 0.00 C ATOM 1226 C PRO A 97 15.181 1.714 1.615 1.00 0.00 C ATOM 1227 O PRO A 97 15.224 2.578 0.738 1.00 0.00 O ATOM 1228 CB PRO A 97 16.786 -0.148 1.041 1.00 0.00 C ATOM 1229 CG PRO A 97 16.710 -1.290 0.035 1.00 0.00 C ATOM 1230 CD PRO A 97 15.533 -0.881 -0.848 1.00 0.00 C ATOM 0 HA PRO A 97 14.867 -0.300 2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.365 0.691 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.261 -0.461 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.632 -1.387 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.536 -2.249 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.867 -0.265 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.042 -1.756 -1.274 1.00 0.00 H new ATOM 1238 N ARG A 98 15.044 1.993 2.918 1.00 0.00 N ATOM 1239 CA ARG A 98 14.804 3.322 3.502 1.00 0.00 C ATOM 1240 C ARG A 98 15.445 3.452 4.893 1.00 0.00 C ATOM 1241 O ARG A 98 15.575 2.465 5.623 1.00 0.00 O ATOM 1242 CB ARG A 98 13.284 3.576 3.629 1.00 0.00 C ATOM 1243 CG ARG A 98 12.520 3.906 2.336 1.00 0.00 C ATOM 1244 CD ARG A 98 12.892 5.267 1.731 1.00 0.00 C ATOM 1245 NE ARG A 98 14.082 5.193 0.872 1.00 0.00 N ATOM 1246 CZ ARG A 98 14.742 6.219 0.352 1.00 0.00 C ATOM 1247 NH1 ARG A 98 14.387 7.467 0.575 1.00 0.00 N ATOM 1248 NH2 ARG A 98 15.788 5.989 -0.410 1.00 0.00 N ATOM 0 H ARG A 98 15.100 1.264 3.629 1.00 0.00 H new ATOM 0 HA ARG A 98 15.257 4.058 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.829 2.691 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.135 4.398 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.714 3.126 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.450 3.890 2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.051 5.645 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.071 5.982 2.534 1.00 0.00 H new ATOM 0 HE ARG A 98 14.435 4.261 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.580 7.670 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.919 8.231 0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.083 5.030 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.304 6.769 -0.816 1.00 0.00 H new ATOM 1262 N ARG A 99 15.789 4.689 5.272 1.00 0.00 N ATOM 1263 CA ARG A 99 16.292 5.088 6.599 1.00 0.00 C ATOM 1264 C ARG A 99 15.653 6.425 7.009 1.00 0.00 C ATOM 1265 O ARG A 99 15.804 7.428 6.307 1.00 0.00 O ATOM 1266 CB ARG A 99 17.830 5.215 6.581 1.00 0.00 C ATOM 1267 CG ARG A 99 18.606 3.896 6.402 1.00 0.00 C ATOM 1268 CD ARG A 99 18.365 2.851 7.503 1.00 0.00 C ATOM 1269 NE ARG A 99 18.709 3.373 8.842 1.00 0.00 N ATOM 1270 CZ ARG A 99 17.943 3.372 9.929 1.00 0.00 C ATOM 1271 NH1 ARG A 99 16.738 2.840 9.944 1.00 0.00 N ATOM 1272 NH2 ARG A 99 18.391 3.921 11.037 1.00 0.00 N ATOM 0 H ARG A 99 15.722 5.481 4.632 1.00 0.00 H new ATOM 0 HA ARG A 99 16.022 4.321 7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 99 18.111 5.893 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 99 18.149 5.679 7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 99 18.335 3.459 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 99 19.672 4.121 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 99 17.319 2.545 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 99 18.960 1.962 7.296 1.00 0.00 H new ATOM 0 HE ARG A 99 19.639 3.780 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 99 16.361 2.408 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.182 2.860 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 99 19.319 4.343 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.810 3.925 11.875 1.00 0.00 H new ATOM 1286 N ALA A 100 14.934 6.427 8.135 1.00 0.00 N ATOM 1287 CA ALA A 100 14.150 7.551 8.669 1.00 0.00 C ATOM 1288 C ALA A 100 13.715 7.286 10.125 1.00 0.00 C ATOM 1289 O ALA A 100 13.780 6.150 10.605 1.00 0.00 O ATOM 1290 CB ALA A 100 12.929 7.789 7.759 1.00 0.00 C ATOM 0 H ALA A 100 14.878 5.602 8.732 1.00 0.00 H new ATOM 0 HA ALA A 100 14.770 8.447 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.342 8.621 8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.268 8.024 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.313 6.890 7.735 1.00 0.00 H new ATOM 1296 N GLN A 101 13.244 8.325 10.819 1.00 0.00 N ATOM 1297 CA GLN A 101 12.763 8.284 12.197 1.00 0.00 C ATOM 1298 C GLN A 101 11.753 9.421 12.474 1.00 0.00 C ATOM 1299 O GLN A 101 11.763 10.423 11.748 1.00 0.00 O ATOM 1300 CB GLN A 101 13.971 8.403 13.145 1.00 0.00 C ATOM 1301 CG GLN A 101 14.773 9.716 13.032 1.00 0.00 C ATOM 1302 CD GLN A 101 15.626 9.963 14.277 1.00 0.00 C ATOM 1303 OE1 GLN A 101 16.810 9.649 14.332 1.00 0.00 O ATOM 1304 NE2 GLN A 101 15.058 10.526 15.326 1.00 0.00 N ATOM 0 H GLN A 101 13.186 9.260 10.414 1.00 0.00 H new ATOM 0 HA GLN A 101 12.246 7.339 12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 101 13.618 8.300 14.171 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.645 7.568 12.954 1.00 0.00 H new ATOM 0 HG2 GLN A 101 15.415 9.676 12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.087 10.551 12.889 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.074 10.791 15.292 1.00 0.00 H new ATOM 0 HE22 GLN A 101 15.603 10.696 16.171 1.00 0.00 H new ATOM 1313 N PRO A 102 10.916 9.309 13.526 1.00 0.00 N ATOM 1314 CA PRO A 102 10.108 10.421 14.018 1.00 0.00 C ATOM 1315 C PRO A 102 10.993 11.438 14.762 1.00 0.00 C ATOM 1316 O PRO A 102 12.084 11.109 15.238 1.00 0.00 O ATOM 1317 CB PRO A 102 9.066 9.784 14.943 1.00 0.00 C ATOM 1318 CG PRO A 102 9.797 8.565 15.500 1.00 0.00 C ATOM 1319 CD PRO A 102 10.657 8.112 14.320 1.00 0.00 C ATOM 0 HA PRO A 102 9.627 10.976 13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 102 8.759 10.467 15.735 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.165 9.500 14.400 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.405 8.820 16.368 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.102 7.787 15.815 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.589 7.664 14.666 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.140 7.356 13.729 1.00 0.00 H new ATOM 1327 N LYS A 103 10.499 12.680 14.877 1.00 0.00 N ATOM 1328 CA LYS A 103 11.169 13.813 15.541 1.00 0.00 C ATOM 1329 C LYS A 103 10.168 14.917 15.918 1.00 0.00 C ATOM 1330 O LYS A 103 10.145 15.316 17.104 1.00 0.00 O ATOM 1331 CB LYS A 103 12.312 14.342 14.649 1.00 0.00 C ATOM 1332 CG LYS A 103 13.170 15.394 15.369 1.00 0.00 C ATOM 1333 CD LYS A 103 14.343 15.849 14.491 1.00 0.00 C ATOM 1334 CE LYS A 103 15.180 16.897 15.236 1.00 0.00 C ATOM 1335 NZ LYS A 103 16.329 17.366 14.418 1.00 0.00 N ATOM 1336 OXT LYS A 103 9.392 15.359 15.038 1.00 0.00 O ATOM 0 H LYS A 103 9.588 12.934 14.496 1.00 0.00 H new ATOM 0 HA LYS A 103 11.605 13.464 16.477 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.944 13.510 14.340 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.892 14.777 13.742 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.553 16.254 15.630 1.00 0.00 H new ATOM 0 HG3 LYS A 103 13.551 14.980 16.303 1.00 0.00 H new ATOM 0 HD2 LYS A 103 14.966 14.993 14.229 1.00 0.00 H new ATOM 0 HD3 LYS A 103 13.968 16.268 13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 103 14.550 17.746 15.499 1.00 0.00 H new ATOM 0 HE3 LYS A 103 15.548 16.472 16.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 16.871 18.073 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 16.944 16.559 14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 15.977 17.794 13.538 1.00 0.00 H new TER 1350 LYS A 103 ATOM 1351 O5' G B 104 -4.386 -0.175 -11.786 1.00 0.00 O ATOM 1352 C5' G B 104 -4.009 0.267 -13.084 1.00 0.00 C ATOM 1353 C4' G B 104 -4.271 1.768 -13.281 1.00 0.00 C ATOM 1354 O4' G B 104 -5.666 2.046 -13.212 1.00 0.00 O ATOM 1355 C3' G B 104 -3.539 2.646 -12.248 1.00 0.00 C ATOM 1356 O3' G B 104 -2.700 3.610 -12.879 1.00 0.00 O ATOM 1357 C2' G B 104 -4.698 3.338 -11.511 1.00 0.00 C ATOM 1358 O2' G B 104 -4.376 4.681 -11.169 1.00 0.00 O ATOM 1359 C1' G B 104 -5.844 3.272 -12.522 1.00 0.00 C ATOM 1360 N9 G B 104 -7.211 3.324 -11.939 1.00 0.00 N ATOM 1361 C8 G B 104 -7.680 2.826 -10.746 1.00 0.00 C ATOM 1362 N7 G B 104 -8.971 2.950 -10.569 1.00 0.00 N ATOM 1363 C5 G B 104 -9.381 3.656 -11.708 1.00 0.00 C ATOM 1364 C6 G B 104 -10.678 4.134 -12.107 1.00 0.00 C ATOM 1365 O6 G B 104 -11.761 3.993 -11.536 1.00 0.00 O ATOM 1366 N1 G B 104 -10.670 4.821 -13.306 1.00 0.00 N ATOM 1367 C2 G B 104 -9.551 5.007 -14.055 1.00 0.00 C ATOM 1368 N2 G B 104 -9.680 5.640 -15.193 1.00 0.00 N ATOM 1369 N3 G B 104 -8.338 4.554 -13.742 1.00 0.00 N ATOM 1370 C4 G B 104 -8.310 3.894 -12.544 1.00 0.00 C ATOM 0 H5' G B 104 -4.562 -0.299 -13.834 1.00 0.00 H new ATOM 0 H5'' G B 104 -2.951 0.060 -13.244 1.00 0.00 H new ATOM 0 H4' G B 104 -3.882 2.015 -14.269 1.00 0.00 H new ATOM 0 H3' G B 104 -2.880 2.073 -11.595 1.00 0.00 H new ATOM 0 H2' G B 104 -4.942 2.862 -10.561 1.00 0.00 H new ATOM 0 HO2' G B 104 -3.658 5.004 -11.752 1.00 0.00 H new ATOM 0 HO5' G B 104 -4.205 -1.134 -11.702 1.00 0.00 H new ATOM 0 H1' G B 104 -5.794 4.156 -13.158 1.00 0.00 H new ATOM 0 H8 G B 104 -7.033 2.368 -10.012 1.00 0.00 H new ATOM 0 H1 G B 104 -11.550 5.209 -13.647 1.00 0.00 H new ATOM 0 H21 G B 104 -8.864 5.799 -15.783 1.00 0.00 H new ATOM 0 H22 G B 104 -10.597 5.974 -15.490 1.00 0.00 H new ATOM 1383 P U B 105 -1.229 3.226 -13.399 1.00 0.00 P ATOM 1384 OP1 U B 105 -0.564 4.484 -13.816 1.00 0.00 O ATOM 1385 OP2 U B 105 -1.350 2.128 -14.385 1.00 0.00 O ATOM 1386 O5' U B 105 -0.450 2.643 -12.120 1.00 0.00 O ATOM 1387 C5' U B 105 -0.389 3.366 -10.899 1.00 0.00 C ATOM 1388 C4' U B 105 0.699 2.859 -9.936 1.00 0.00 C ATOM 1389 O4' U B 105 0.422 1.530 -9.492 1.00 0.00 O ATOM 1390 C3' U B 105 2.102 2.874 -10.561 1.00 0.00 C ATOM 1391 O3' U B 105 3.045 3.227 -9.553 1.00 0.00 O ATOM 1392 C2' U B 105 2.219 1.420 -11.046 1.00 0.00 C ATOM 1393 O2' U B 105 3.545 0.927 -11.206 1.00 0.00 O ATOM 1394 C1' U B 105 1.448 0.662 -9.963 1.00 0.00 C ATOM 1395 N1 U B 105 0.890 -0.618 -10.481 1.00 0.00 N ATOM 1396 C2 U B 105 1.578 -1.807 -10.205 1.00 0.00 C ATOM 1397 O2 U B 105 2.588 -1.871 -9.501 1.00 0.00 O ATOM 1398 N3 U B 105 1.062 -2.966 -10.743 1.00 0.00 N ATOM 1399 C4 U B 105 -0.080 -3.065 -11.502 1.00 0.00 C ATOM 1400 O4 U B 105 -0.455 -4.159 -11.914 1.00 0.00 O ATOM 1401 C5 U B 105 -0.744 -1.803 -11.744 1.00 0.00 C ATOM 1402 C6 U B 105 -0.256 -0.635 -11.248 1.00 0.00 C ATOM 0 H5' U B 105 -1.358 3.307 -10.403 1.00 0.00 H new ATOM 0 H5'' U B 105 -0.207 4.418 -11.118 1.00 0.00 H new ATOM 0 H4' U B 105 0.684 3.550 -9.093 1.00 0.00 H new ATOM 0 H3' U B 105 2.279 3.587 -11.366 1.00 0.00 H new ATOM 0 H2' U B 105 1.829 1.304 -12.057 1.00 0.00 H new ATOM 0 HO2' U B 105 4.158 1.678 -11.349 1.00 0.00 H new ATOM 0 H1' U B 105 2.115 0.385 -9.146 1.00 0.00 H new ATOM 0 H3 U B 105 1.574 -3.829 -10.562 1.00 0.00 H new ATOM 0 H5 U B 105 -1.649 -1.788 -12.333 1.00 0.00 H new ATOM 0 H6 U B 105 -0.772 0.290 -11.457 1.00 0.00 H new ATOM 1413 P A B 106 4.428 3.928 -9.947 1.00 0.00 P ATOM 1414 OP1 A B 106 4.115 5.210 -10.623 1.00 0.00 O ATOM 1415 OP2 A B 106 5.243 2.924 -10.668 1.00 0.00 O ATOM 1416 O5' A B 106 5.166 4.256 -8.558 1.00 0.00 O ATOM 1417 C5' A B 106 4.575 5.110 -7.587 1.00 0.00 C ATOM 1418 C4' A B 106 5.587 5.668 -6.566 1.00 0.00 C ATOM 1419 O4' A B 106 6.077 4.660 -5.690 1.00 0.00 O ATOM 1420 C3' A B 106 6.799 6.330 -7.244 1.00 0.00 C ATOM 1421 O3' A B 106 7.332 7.444 -6.524 1.00 0.00 O ATOM 1422 C2' A B 106 7.802 5.165 -7.260 1.00 0.00 C ATOM 1423 O2' A B 106 9.160 5.594 -7.265 1.00 0.00 O ATOM 1424 C1' A B 106 7.440 4.397 -5.982 1.00 0.00 C ATOM 1425 N9 A B 106 7.661 2.932 -6.057 1.00 0.00 N ATOM 1426 C8 A B 106 7.386 2.049 -7.077 1.00 0.00 C ATOM 1427 N7 A B 106 7.674 0.799 -6.804 1.00 0.00 N ATOM 1428 C5 A B 106 8.171 0.869 -5.491 1.00 0.00 C ATOM 1429 C6 A B 106 8.642 -0.073 -4.537 1.00 0.00 C ATOM 1430 N6 A B 106 8.701 -1.380 -4.720 1.00 0.00 N ATOM 1431 N1 A B 106 9.054 0.312 -3.327 1.00 0.00 N ATOM 1432 C2 A B 106 9.026 1.608 -3.053 1.00 0.00 C ATOM 1433 N3 A B 106 8.618 2.604 -3.828 1.00 0.00 N ATOM 1434 C4 A B 106 8.186 2.164 -5.043 1.00 0.00 C ATOM 0 H5' A B 106 3.799 4.560 -7.055 1.00 0.00 H new ATOM 0 H5'' A B 106 4.086 5.941 -8.095 1.00 0.00 H new ATOM 0 H4' A B 106 5.032 6.415 -5.998 1.00 0.00 H new ATOM 0 H3' A B 106 6.552 6.756 -8.217 1.00 0.00 H new ATOM 0 H2' A B 106 7.732 4.563 -8.166 1.00 0.00 H new ATOM 0 HO2' A B 106 9.209 6.528 -6.972 1.00 0.00 H new ATOM 0 H1' A B 106 8.109 4.747 -5.195 1.00 0.00 H new ATOM 0 H8 A B 106 6.968 2.360 -8.023 1.00 0.00 H new ATOM 0 H61 A B 106 9.055 -1.983 -3.978 1.00 0.00 H new ATOM 0 H62 A B 106 8.393 -1.786 -5.604 1.00 0.00 H new ATOM 0 H2 A B 106 9.381 1.890 -2.073 1.00 0.00 H new ATOM 1446 P G B 107 6.453 8.747 -6.184 1.00 0.00 P ATOM 1447 OP1 G B 107 5.280 8.800 -7.089 1.00 0.00 O ATOM 1448 OP2 G B 107 7.370 9.908 -6.132 1.00 0.00 O ATOM 1449 O5' G B 107 5.908 8.472 -4.693 1.00 0.00 O ATOM 1450 C5' G B 107 6.815 8.234 -3.623 1.00 0.00 C ATOM 1451 C4' G B 107 6.213 8.616 -2.261 1.00 0.00 C ATOM 1452 O4' G B 107 5.666 7.495 -1.568 1.00 0.00 O ATOM 1453 C3' G B 107 7.276 9.188 -1.321 1.00 0.00 C ATOM 1454 O3' G B 107 7.595 10.552 -1.551 1.00 0.00 O ATOM 1455 C2' G B 107 6.573 8.999 0.032 1.00 0.00 C ATOM 1456 O2' G B 107 5.699 10.082 0.342 1.00 0.00 O ATOM 1457 C1' G B 107 5.714 7.745 -0.160 1.00 0.00 C ATOM 1458 N9 G B 107 6.247 6.600 0.625 1.00 0.00 N ATOM 1459 C8 G B 107 5.689 6.037 1.750 1.00 0.00 C ATOM 1460 N7 G B 107 6.369 5.047 2.259 1.00 0.00 N ATOM 1461 C5 G B 107 7.473 4.935 1.402 1.00 0.00 C ATOM 1462 C6 G B 107 8.581 4.013 1.399 1.00 0.00 C ATOM 1463 O6 G B 107 8.817 3.081 2.168 1.00 0.00 O ATOM 1464 N1 G B 107 9.477 4.224 0.370 1.00 0.00 N ATOM 1465 C2 G B 107 9.353 5.232 -0.530 1.00 0.00 C ATOM 1466 N2 G B 107 10.290 5.354 -1.437 1.00 0.00 N ATOM 1467 N3 G B 107 8.349 6.103 -0.572 1.00 0.00 N ATOM 1468 C4 G B 107 7.422 5.901 0.417 1.00 0.00 C ATOM 0 H5' G B 107 7.729 8.805 -3.788 1.00 0.00 H new ATOM 0 H5'' G B 107 7.095 7.181 -3.613 1.00 0.00 H new ATOM 0 H4' G B 107 5.437 9.344 -2.497 1.00 0.00 H new ATOM 0 H3' G B 107 8.246 8.703 -1.430 1.00 0.00 H new ATOM 0 H2' G B 107 7.304 8.934 0.837 1.00 0.00 H new ATOM 0 HO2' G B 107 5.665 10.207 1.313 1.00 0.00 H new ATOM 0 H1' G B 107 4.702 7.889 0.218 1.00 0.00 H new ATOM 0 H8 G B 107 4.761 6.387 2.178 1.00 0.00 H new ATOM 0 H1 G B 107 10.272 3.591 0.282 1.00 0.00 H new ATOM 0 H21 G B 107 10.234 6.099 -2.132 1.00 0.00 H new ATOM 0 H22 G B 107 11.076 4.704 -1.449 1.00 0.00 H new ATOM 1480 P U B 108 9.031 11.126 -1.137 1.00 0.00 P ATOM 1481 OP1 U B 108 8.948 12.606 -1.171 1.00 0.00 O ATOM 1482 OP2 U B 108 10.053 10.450 -1.970 1.00 0.00 O ATOM 1483 O5' U B 108 9.272 10.663 0.389 1.00 0.00 O ATOM 1484 C5' U B 108 10.376 11.178 1.123 1.00 0.00 C ATOM 1485 C4' U B 108 10.855 10.261 2.261 1.00 0.00 C ATOM 1486 O4' U B 108 9.923 10.247 3.340 1.00 0.00 O ATOM 1487 C3' U B 108 11.099 8.810 1.821 1.00 0.00 C ATOM 1488 O3' U B 108 12.294 8.319 2.428 1.00 0.00 O ATOM 1489 C2' U B 108 9.847 8.097 2.347 1.00 0.00 C ATOM 1490 O2' U B 108 10.046 6.716 2.623 1.00 0.00 O ATOM 1491 C1' U B 108 9.506 8.908 3.600 1.00 0.00 C ATOM 1492 N1 U B 108 8.059 8.845 3.948 1.00 0.00 N ATOM 1493 C2 U B 108 7.640 7.933 4.929 1.00 0.00 C ATOM 1494 O2 U B 108 8.399 7.161 5.516 1.00 0.00 O ATOM 1495 N3 U B 108 6.297 7.934 5.254 1.00 0.00 N ATOM 1496 C4 U B 108 5.343 8.767 4.716 1.00 0.00 C ATOM 1497 O4 U B 108 4.184 8.716 5.116 1.00 0.00 O ATOM 1498 C5 U B 108 5.837 9.661 3.695 1.00 0.00 C ATOM 1499 C6 U B 108 7.150 9.685 3.342 1.00 0.00 C ATOM 0 H5' U B 108 10.100 12.146 1.542 1.00 0.00 H new ATOM 0 H5'' U B 108 11.205 11.352 0.437 1.00 0.00 H new ATOM 0 H4' U B 108 11.808 10.684 2.580 1.00 0.00 H new ATOM 0 H3' U B 108 11.239 8.672 0.749 1.00 0.00 H new ATOM 0 H2' U B 108 9.042 8.071 1.612 1.00 0.00 H new ATOM 0 HO2' U B 108 9.354 6.189 2.172 1.00 0.00 H new ATOM 0 HO3' U B 108 12.372 8.680 3.336 1.00 0.00 H new ATOM 0 H1' U B 108 10.021 8.494 4.466 1.00 0.00 H new ATOM 0 H3 U B 108 5.986 7.259 5.953 1.00 0.00 H new ATOM 0 H5 U B 108 5.146 10.327 3.199 1.00 0.00 H new ATOM 0 H6 U B 108 7.484 10.371 2.578 1.00 0.00 H new TER 1511 U B 108