USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 893 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 94 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.323) USER MOD Set 1.2: A 103 THR OG1 : rot -151:sc= -2.78! USER MOD Set 2.1: A 37 LYS NZ :NH3+ -165:sc= -1.15 (180deg=-1.75) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.35! C(o=-2.5!,f=-11!) USER MOD Set 3.1: A 40 HIS :FLIP no HD1:sc= 0.698 F(o=-4.2!,f=1.8) USER MOD Set 3.2: A 74 SER OG : rot 153:sc= 1.06 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.003 (180deg=-0.121) USER MOD Single : A 7 MET CE :methyl 159:sc= -0.281 (180deg=-1.53!) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.146) USER MOD Single : A 12 ASN : amide:sc= -14.2! C(o=-14!,f=-26!) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.935 (180deg=-1.33) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00215) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.5 F(o=-4.1!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 41 TYR OH : rot 180:sc= -2.15 USER MOD Single : A 45 CYS SG : rot 19:sc= -0.577! USER MOD Single : A 47 GLN :FLIP amide:sc= -0.821 F(o=-3.6!,f=-0.82) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.065) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.469! C(o=-7.7!,f=-0.47!) USER MOD Single : A 66 LYS NZ :NH3+ -148:sc= -0.0502 (180deg=-0.996) USER MOD Single : A 68 HIS : no HD1:sc= -1.2! C(o=-1.2!,f=-1.1!) USER MOD Single : A 70 THR OG1 : rot 109:sc= -4.28! USER MOD Single : A 77 TYR OH : rot 120:sc= -0.178 USER MOD Single : A 80 HIS : no HE2:sc= -7.45! C(o=-7.5!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -3.46! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= -3! (180deg=-3.56!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.494) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.386! USER MOD Single : A 110 ASN :FLIP amide:sc= -15.7! C(o=-21!,f=-16!) USER MOD Single : A 111 GLN : amide:sc= -0.0835 X(o=-0.084,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.888! (180deg=-1.77!) USER MOD Single : A 118 GLN : amide:sc= 0.902 K(o=0.9,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.195 -7.025 86.409 1.00 0.00 N ATOM 44 CA LYS A 4 -6.057 -6.925 87.887 1.00 0.00 C ATOM 45 C LYS A 4 -5.836 -8.320 88.481 1.00 0.00 C ATOM 46 O LYS A 4 -4.790 -8.619 89.015 1.00 0.00 O ATOM 47 CB LYS A 4 -7.337 -6.322 88.472 1.00 0.00 C ATOM 48 CG LYS A 4 -7.738 -5.082 87.669 1.00 0.00 C ATOM 49 CD LYS A 4 -8.882 -4.359 88.386 1.00 0.00 C ATOM 50 CE LYS A 4 -9.571 -3.397 87.415 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.466 -4.166 86.504 1.00 0.00 N ATOM 0 HA LYS A 4 -5.205 -6.291 88.130 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.141 -7.058 88.448 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.180 -6.055 89.517 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.883 -4.414 87.559 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.048 -5.370 86.665 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.601 -5.084 88.767 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.497 -3.810 89.245 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.148 -2.656 87.969 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.825 -2.853 86.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.128 -3.514 86.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.894 -4.653 85.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.001 -4.868 87.054 1.00 0.00 H new ATOM 65 N GLU A 5 -6.821 -9.167 88.401 1.00 0.00 N ATOM 66 CA GLU A 5 -6.687 -10.540 88.971 1.00 0.00 C ATOM 67 C GLU A 5 -5.338 -11.164 88.583 1.00 0.00 C ATOM 68 O GLU A 5 -4.608 -11.648 89.424 1.00 0.00 O ATOM 69 CB GLU A 5 -7.829 -11.411 88.444 1.00 0.00 C ATOM 70 CG GLU A 5 -7.707 -12.824 89.016 1.00 0.00 C ATOM 71 CD GLU A 5 -9.025 -13.573 88.806 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.717 -13.258 87.852 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.319 -14.449 89.603 1.00 0.00 O ATOM 0 H GLU A 5 -7.720 -8.969 87.963 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.734 -10.478 90.058 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.789 -10.977 88.724 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.800 -11.446 87.355 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.891 -13.357 88.527 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.467 -12.779 90.078 1.00 0.00 H new ATOM 80 N PHE A 6 -5.002 -11.165 87.321 1.00 0.00 N ATOM 81 CA PHE A 6 -3.703 -11.766 86.892 1.00 0.00 C ATOM 82 C PHE A 6 -2.548 -10.910 87.421 1.00 0.00 C ATOM 83 O PHE A 6 -1.681 -11.380 88.131 1.00 0.00 O ATOM 84 CB PHE A 6 -3.666 -11.817 85.357 1.00 0.00 C ATOM 85 CG PHE A 6 -2.247 -11.976 84.853 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.374 -12.887 85.462 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.811 -11.215 83.761 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.068 -13.035 84.978 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.507 -11.365 83.277 1.00 0.00 C ATOM 90 CZ PHE A 6 0.365 -12.274 83.887 1.00 0.00 C ATOM 0 H PHE A 6 -5.570 -10.776 86.568 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.604 -12.775 87.291 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.277 -12.647 85.002 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.101 -10.905 84.949 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.708 -13.475 86.304 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.483 -10.511 83.292 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.605 -13.737 85.447 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.173 -10.780 82.433 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.373 -12.388 83.515 1.00 0.00 H new ATOM 100 N MET A 7 -2.538 -9.658 87.073 1.00 0.00 N ATOM 101 CA MET A 7 -1.454 -8.741 87.533 1.00 0.00 C ATOM 102 C MET A 7 -1.382 -8.703 89.068 1.00 0.00 C ATOM 103 O MET A 7 -0.326 -8.815 89.654 1.00 0.00 O ATOM 104 CB MET A 7 -1.774 -7.337 87.021 1.00 0.00 C ATOM 105 CG MET A 7 -0.752 -6.335 87.560 1.00 0.00 C ATOM 106 SD MET A 7 -0.822 -4.816 86.574 1.00 0.00 S ATOM 107 CE MET A 7 -2.625 -4.646 86.512 1.00 0.00 C ATOM 0 H MET A 7 -3.244 -9.221 86.481 1.00 0.00 H new ATOM 0 HA MET A 7 -0.497 -9.095 87.150 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.764 -7.328 85.931 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.778 -7.048 87.333 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.961 -6.113 88.606 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.250 -6.763 87.519 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.885 -3.612 86.286 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.026 -5.299 85.737 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.050 -4.925 87.476 1.00 0.00 H new ATOM 117 N TRP A 8 -2.501 -8.513 89.711 1.00 0.00 N ATOM 118 CA TRP A 8 -2.532 -8.423 91.202 1.00 0.00 C ATOM 119 C TRP A 8 -1.764 -9.576 91.856 1.00 0.00 C ATOM 120 O TRP A 8 -1.525 -9.569 93.050 1.00 0.00 O ATOM 121 CB TRP A 8 -3.988 -8.456 91.659 1.00 0.00 C ATOM 122 CG TRP A 8 -4.057 -8.288 93.139 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.008 -9.299 94.036 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.192 -7.060 93.911 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.107 -8.770 95.310 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.225 -7.394 95.285 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.298 -5.702 93.556 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.346 -6.417 96.273 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.419 -4.716 94.549 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.451 -5.073 95.904 1.00 0.00 C ATOM 0 H TRP A 8 -3.411 -8.414 89.261 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.051 -7.493 91.505 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.551 -7.663 91.167 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.448 -9.401 91.369 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.908 -10.347 93.797 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.094 -9.328 96.164 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.286 -5.417 92.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.358 -6.697 97.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.488 -3.676 94.267 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.557 -4.311 96.662 1.00 0.00 H new ATOM 141 N ALA A 9 -1.375 -10.566 91.104 1.00 0.00 N ATOM 142 CA ALA A 9 -0.628 -11.703 91.714 1.00 0.00 C ATOM 143 C ALA A 9 0.869 -11.384 91.733 1.00 0.00 C ATOM 144 O ALA A 9 1.529 -11.521 92.744 1.00 0.00 O ATOM 145 CB ALA A 9 -0.877 -12.980 90.913 1.00 0.00 C ATOM 0 H ALA A 9 -1.540 -10.639 90.100 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.976 -11.853 92.736 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.328 -13.806 91.365 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.943 -13.209 90.915 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.538 -12.838 89.887 1.00 0.00 H new ATOM 151 N LEU A 10 1.402 -10.936 90.629 1.00 0.00 N ATOM 152 CA LEU A 10 2.846 -10.575 90.584 1.00 0.00 C ATOM 153 C LEU A 10 3.079 -9.481 91.625 1.00 0.00 C ATOM 154 O LEU A 10 4.193 -9.083 91.906 1.00 0.00 O ATOM 155 CB LEU A 10 3.187 -10.016 89.194 1.00 0.00 C ATOM 156 CG LEU A 10 2.909 -11.064 88.102 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.555 -10.783 87.437 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.005 -10.988 87.036 1.00 0.00 C ATOM 0 H LEU A 10 0.896 -10.804 89.753 1.00 0.00 H new ATOM 0 HA LEU A 10 3.467 -11.448 90.785 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.597 -9.119 89.003 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.236 -9.721 89.163 1.00 0.00 H new ATOM 0 HG LEU A 10 2.894 -12.054 88.557 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.367 -11.530 86.666 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.765 -10.829 88.187 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.570 -9.791 86.986 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.811 -11.729 86.261 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.012 -9.992 86.592 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.973 -11.188 87.495 1.00 0.00 H new ATOM 170 N LYS A 11 2.002 -8.974 92.160 1.00 0.00 N ATOM 171 CA LYS A 11 2.066 -7.864 93.155 1.00 0.00 C ATOM 172 C LYS A 11 2.128 -8.375 94.601 1.00 0.00 C ATOM 173 O LYS A 11 3.121 -8.224 95.286 1.00 0.00 O ATOM 174 CB LYS A 11 0.803 -7.022 92.982 1.00 0.00 C ATOM 175 CG LYS A 11 0.668 -6.029 94.130 1.00 0.00 C ATOM 176 CD LYS A 11 -0.344 -4.962 93.728 1.00 0.00 C ATOM 177 CE LYS A 11 -0.760 -4.169 94.958 1.00 0.00 C ATOM 178 NZ LYS A 11 0.422 -3.438 95.491 1.00 0.00 N ATOM 0 H LYS A 11 1.057 -9.291 91.944 1.00 0.00 H new ATOM 0 HA LYS A 11 2.974 -7.288 92.978 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.841 -6.488 92.033 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.073 -7.670 92.948 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.341 -6.539 95.036 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.633 -5.572 94.352 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.090 -4.296 92.982 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.217 -5.427 93.270 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.552 -3.466 94.701 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.162 -4.839 95.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.108 -2.731 96.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.069 -4.111 95.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.916 -2.961 94.710 1.00 0.00 H new ATOM 192 N ASN A 12 1.048 -8.929 95.081 1.00 0.00 N ATOM 193 CA ASN A 12 1.000 -9.399 96.497 1.00 0.00 C ATOM 194 C ASN A 12 1.668 -10.759 96.645 1.00 0.00 C ATOM 195 O ASN A 12 1.725 -11.319 97.723 1.00 0.00 O ATOM 196 CB ASN A 12 -0.460 -9.499 96.915 1.00 0.00 C ATOM 197 CG ASN A 12 -1.204 -10.415 95.945 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.598 -11.039 95.096 1.00 0.00 O ATOM 199 ND2 ASN A 12 -2.503 -10.521 96.033 1.00 0.00 N ATOM 0 H ASN A 12 0.190 -9.078 94.550 1.00 0.00 H new ATOM 0 HA ASN A 12 1.536 -8.692 97.130 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.533 -9.890 97.930 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.917 -8.509 96.921 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.010 -11.128 95.389 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.010 -9.997 96.746 1.00 0.00 H new ATOM 206 N GLY A 13 2.201 -11.286 95.589 1.00 0.00 N ATOM 207 CA GLY A 13 2.896 -12.592 95.687 1.00 0.00 C ATOM 208 C GLY A 13 1.927 -13.770 95.557 1.00 0.00 C ATOM 209 O GLY A 13 2.246 -14.871 95.960 1.00 0.00 O ATOM 0 H GLY A 13 2.187 -10.869 94.658 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.654 -12.659 94.906 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.416 -12.655 96.643 1.00 0.00 H new ATOM 213 N ASP A 14 0.771 -13.585 94.979 1.00 0.00 N ATOM 214 CA ASP A 14 -0.135 -14.751 94.818 1.00 0.00 C ATOM 215 C ASP A 14 0.500 -15.664 93.784 1.00 0.00 C ATOM 216 O ASP A 14 -0.099 -16.050 92.800 1.00 0.00 O ATOM 217 CB ASP A 14 -1.511 -14.320 94.339 1.00 0.00 C ATOM 218 CG ASP A 14 -2.030 -13.171 95.205 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.481 -12.970 96.276 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.969 -12.516 94.785 1.00 0.00 O ATOM 0 H ASP A 14 0.423 -12.696 94.619 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.267 -15.255 95.775 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.460 -14.006 93.296 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.202 -15.162 94.385 1.00 0.00 H new ATOM 225 N LEU A 15 1.732 -15.978 94.016 1.00 0.00 N ATOM 226 CA LEU A 15 2.508 -16.840 93.099 1.00 0.00 C ATOM 227 C LEU A 15 1.655 -18.039 92.671 1.00 0.00 C ATOM 228 O LEU A 15 1.768 -18.538 91.574 1.00 0.00 O ATOM 229 CB LEU A 15 3.761 -17.283 93.874 1.00 0.00 C ATOM 230 CG LEU A 15 4.757 -18.058 92.998 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.354 -19.530 92.926 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.819 -17.465 91.585 1.00 0.00 C ATOM 0 H LEU A 15 2.253 -15.661 94.834 1.00 0.00 H new ATOM 0 HA LEU A 15 2.796 -16.315 92.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.256 -16.405 94.289 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.461 -17.908 94.715 1.00 0.00 H new ATOM 0 HG LEU A 15 5.746 -17.976 93.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.065 -20.072 92.303 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.352 -19.956 93.929 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.357 -19.613 92.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.531 -18.031 90.984 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.832 -17.518 91.125 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.138 -16.424 91.641 1.00 0.00 H new ATOM 244 N ASP A 16 0.793 -18.493 93.530 1.00 0.00 N ATOM 245 CA ASP A 16 -0.081 -19.644 93.189 1.00 0.00 C ATOM 246 C ASP A 16 -1.009 -19.264 92.028 1.00 0.00 C ATOM 247 O ASP A 16 -1.430 -20.102 91.251 1.00 0.00 O ATOM 248 CB ASP A 16 -0.921 -19.990 94.416 1.00 0.00 C ATOM 249 CG ASP A 16 0.003 -20.258 95.604 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.477 -19.297 96.188 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.223 -21.419 95.910 1.00 0.00 O ATOM 0 H ASP A 16 0.655 -18.111 94.466 1.00 0.00 H new ATOM 0 HA ASP A 16 0.527 -20.499 92.892 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.601 -19.170 94.648 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.536 -20.867 94.214 1.00 0.00 H new ATOM 256 N GLU A 17 -1.347 -18.004 91.920 1.00 0.00 N ATOM 257 CA GLU A 17 -2.268 -17.549 90.828 1.00 0.00 C ATOM 258 C GLU A 17 -1.522 -17.427 89.498 1.00 0.00 C ATOM 259 O GLU A 17 -1.955 -17.944 88.485 1.00 0.00 O ATOM 260 CB GLU A 17 -2.835 -16.178 91.176 1.00 0.00 C ATOM 261 CG GLU A 17 -3.774 -15.717 90.059 1.00 0.00 C ATOM 262 CD GLU A 17 -4.673 -14.596 90.580 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.186 -13.783 91.348 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.834 -14.570 90.206 1.00 0.00 O ATOM 0 H GLU A 17 -1.024 -17.265 92.544 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.065 -18.287 90.733 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.374 -16.225 92.123 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.025 -15.460 91.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.195 -15.366 89.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.381 -16.553 89.711 1.00 0.00 H new ATOM 271 N VAL A 18 -0.413 -16.737 89.482 1.00 0.00 N ATOM 272 CA VAL A 18 0.333 -16.583 88.204 1.00 0.00 C ATOM 273 C VAL A 18 0.823 -17.962 87.777 1.00 0.00 C ATOM 274 O VAL A 18 0.999 -18.250 86.611 1.00 0.00 O ATOM 275 CB VAL A 18 1.547 -15.664 88.423 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.172 -14.197 88.151 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.035 -15.810 89.867 1.00 0.00 C ATOM 0 H VAL A 18 0.004 -16.278 90.292 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.312 -16.148 87.440 1.00 0.00 H new ATOM 0 HB VAL A 18 2.339 -15.953 87.732 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.044 -13.563 88.311 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.832 -14.093 87.120 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.374 -13.894 88.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.896 -15.161 90.028 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.235 -15.528 90.552 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.322 -16.845 90.051 1.00 0.00 H new ATOM 287 N LYS A 19 1.040 -18.814 88.733 1.00 0.00 N ATOM 288 CA LYS A 19 1.517 -20.190 88.440 1.00 0.00 C ATOM 289 C LYS A 19 0.422 -20.975 87.719 1.00 0.00 C ATOM 290 O LYS A 19 0.688 -21.908 86.990 1.00 0.00 O ATOM 291 CB LYS A 19 1.847 -20.876 89.768 1.00 0.00 C ATOM 292 CG LYS A 19 2.468 -22.251 89.520 1.00 0.00 C ATOM 293 CD LYS A 19 3.138 -22.746 90.809 1.00 0.00 C ATOM 294 CE LYS A 19 4.572 -22.216 90.880 1.00 0.00 C ATOM 295 NZ LYS A 19 5.127 -22.470 92.237 1.00 0.00 N ATOM 0 H LYS A 19 0.905 -18.612 89.724 1.00 0.00 H new ATOM 0 HA LYS A 19 2.400 -20.152 87.803 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.536 -20.257 90.342 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.941 -20.982 90.365 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.701 -22.957 89.201 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.201 -22.192 88.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.572 -22.409 91.677 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.141 -23.836 90.834 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.189 -22.704 90.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.588 -21.148 90.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.013 -21.938 92.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.441 -22.163 92.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.316 -23.486 92.350 1.00 0.00 H new ATOM 309 N ASP A 20 -0.806 -20.614 87.947 1.00 0.00 N ATOM 310 CA ASP A 20 -1.949 -21.331 87.326 1.00 0.00 C ATOM 311 C ASP A 20 -2.027 -21.089 85.808 1.00 0.00 C ATOM 312 O ASP A 20 -2.033 -22.025 85.025 1.00 0.00 O ATOM 313 CB ASP A 20 -3.229 -20.837 87.995 1.00 0.00 C ATOM 314 CG ASP A 20 -3.134 -21.084 89.501 1.00 0.00 C ATOM 315 OD1 ASP A 20 -2.268 -21.844 89.901 1.00 0.00 O ATOM 316 OD2 ASP A 20 -3.930 -20.512 90.227 1.00 0.00 O ATOM 0 H ASP A 20 -1.071 -19.836 88.551 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.816 -22.403 87.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.371 -19.775 87.796 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.094 -21.357 87.582 1.00 0.00 H new ATOM 321 N TYR A 21 -2.126 -19.859 85.375 1.00 0.00 N ATOM 322 CA TYR A 21 -2.247 -19.610 83.913 1.00 0.00 C ATOM 323 C TYR A 21 -1.020 -20.138 83.161 1.00 0.00 C ATOM 324 O TYR A 21 -1.153 -20.828 82.170 1.00 0.00 O ATOM 325 CB TYR A 21 -2.459 -18.117 83.654 1.00 0.00 C ATOM 326 CG TYR A 21 -1.152 -17.378 83.654 1.00 0.00 C ATOM 327 CD1 TYR A 21 -0.550 -17.064 84.864 1.00 0.00 C ATOM 328 CD2 TYR A 21 -0.559 -16.987 82.448 1.00 0.00 C ATOM 329 CE1 TYR A 21 0.653 -16.355 84.884 1.00 0.00 C ATOM 330 CE2 TYR A 21 0.649 -16.281 82.462 1.00 0.00 C ATOM 331 CZ TYR A 21 1.256 -15.962 83.682 1.00 0.00 C ATOM 332 OH TYR A 21 2.444 -15.259 83.701 1.00 0.00 O ATOM 0 H TYR A 21 -2.128 -19.027 85.965 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.115 -20.152 83.536 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.959 -17.978 82.695 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.115 -17.702 84.419 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.012 -17.368 85.791 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.033 -17.230 81.508 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.119 -16.109 85.827 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.112 -15.983 81.533 1.00 0.00 H new ATOM 0 HH TYR A 21 2.725 -15.066 82.782 1.00 0.00 H new ATOM 342 N VAL A 22 0.171 -19.850 83.611 1.00 0.00 N ATOM 343 CA VAL A 22 1.361 -20.385 82.890 1.00 0.00 C ATOM 344 C VAL A 22 1.390 -21.907 83.059 1.00 0.00 C ATOM 345 O VAL A 22 2.074 -22.611 82.342 1.00 0.00 O ATOM 346 CB VAL A 22 2.649 -19.760 83.432 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.900 -20.230 84.862 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.824 -20.180 82.543 1.00 0.00 C ATOM 0 H VAL A 22 0.370 -19.278 84.432 1.00 0.00 H new ATOM 0 HA VAL A 22 1.292 -20.132 81.832 1.00 0.00 H new ATOM 0 HB VAL A 22 2.550 -18.674 83.429 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.819 -19.779 85.237 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.064 -19.931 85.495 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.996 -21.316 84.877 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.745 -19.738 82.924 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.914 -21.266 82.548 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.651 -19.835 81.524 1.00 0.00 H new ATOM 358 N ALA A 23 0.628 -22.425 83.989 1.00 0.00 N ATOM 359 CA ALA A 23 0.592 -23.900 84.182 1.00 0.00 C ATOM 360 C ALA A 23 0.216 -24.527 82.848 1.00 0.00 C ATOM 361 O ALA A 23 0.593 -25.638 82.534 1.00 0.00 O ATOM 362 CB ALA A 23 -0.476 -24.266 85.220 1.00 0.00 C ATOM 0 H ALA A 23 0.032 -21.889 84.620 1.00 0.00 H new ATOM 0 HA ALA A 23 1.561 -24.259 84.530 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.496 -25.347 85.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.240 -23.786 86.170 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.452 -23.926 84.874 1.00 0.00 H new ATOM 368 N LYS A 24 -0.517 -23.802 82.054 1.00 0.00 N ATOM 369 CA LYS A 24 -0.919 -24.322 80.724 1.00 0.00 C ATOM 370 C LYS A 24 0.340 -24.662 79.918 1.00 0.00 C ATOM 371 O LYS A 24 0.713 -25.814 79.805 1.00 0.00 O ATOM 372 CB LYS A 24 -1.743 -23.255 79.998 1.00 0.00 C ATOM 373 CG LYS A 24 -3.210 -23.345 80.438 1.00 0.00 C ATOM 374 CD LYS A 24 -3.300 -23.353 81.969 1.00 0.00 C ATOM 375 CE LYS A 24 -4.750 -23.113 82.403 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.569 -24.323 82.106 1.00 0.00 N ATOM 0 H LYS A 24 -0.856 -22.865 82.272 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.523 -25.222 80.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.347 -22.264 80.219 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.668 -23.395 78.920 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.771 -22.501 80.037 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.664 -24.250 80.034 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.947 -24.308 82.359 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.653 -22.580 82.385 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.789 -22.888 83.469 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.158 -22.248 81.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.549 -24.164 82.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.556 -24.508 81.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.174 -25.142 82.611 1.00 0.00 H new ATOM 390 N GLY A 25 1.003 -23.683 79.357 1.00 0.00 N ATOM 391 CA GLY A 25 2.233 -23.994 78.572 1.00 0.00 C ATOM 392 C GLY A 25 3.074 -22.737 78.310 1.00 0.00 C ATOM 393 O GLY A 25 2.788 -21.961 77.421 1.00 0.00 O ATOM 0 H GLY A 25 0.750 -22.696 79.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.833 -24.727 79.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.953 -24.449 77.622 1.00 0.00 H new ATOM 397 N GLU A 26 4.128 -22.568 79.066 1.00 0.00 N ATOM 398 CA GLU A 26 5.057 -21.402 78.886 1.00 0.00 C ATOM 399 C GLU A 26 4.322 -20.144 78.403 1.00 0.00 C ATOM 400 O GLU A 26 3.893 -20.052 77.269 1.00 0.00 O ATOM 401 CB GLU A 26 6.163 -21.765 77.885 1.00 0.00 C ATOM 402 CG GLU A 26 5.585 -22.584 76.728 1.00 0.00 C ATOM 403 CD GLU A 26 6.679 -22.827 75.686 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.164 -21.856 75.129 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.015 -23.978 75.466 1.00 0.00 O ATOM 0 H GLU A 26 4.393 -23.202 79.819 1.00 0.00 H new ATOM 0 HA GLU A 26 5.491 -21.179 79.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.627 -20.857 77.500 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.945 -22.334 78.387 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.200 -23.535 77.097 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.747 -22.055 76.275 1.00 0.00 H new ATOM 412 N ASP A 27 4.209 -19.162 79.254 1.00 0.00 N ATOM 413 CA ASP A 27 3.539 -17.885 78.865 1.00 0.00 C ATOM 414 C ASP A 27 4.184 -16.742 79.650 1.00 0.00 C ATOM 415 O ASP A 27 3.514 -15.861 80.150 1.00 0.00 O ATOM 416 CB ASP A 27 2.048 -17.956 79.205 1.00 0.00 C ATOM 417 CG ASP A 27 1.358 -18.943 78.263 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.400 -20.129 78.546 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.798 -18.496 77.275 1.00 0.00 O ATOM 0 H ASP A 27 4.555 -19.188 80.213 1.00 0.00 H new ATOM 0 HA ASP A 27 3.650 -17.719 77.793 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.914 -18.270 80.240 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.595 -16.969 79.111 1.00 0.00 H new ATOM 424 N VAL A 28 5.482 -16.766 79.784 1.00 0.00 N ATOM 425 CA VAL A 28 6.181 -15.702 80.561 1.00 0.00 C ATOM 426 C VAL A 28 6.921 -14.744 79.622 1.00 0.00 C ATOM 427 O VAL A 28 8.130 -14.625 79.660 1.00 0.00 O ATOM 428 CB VAL A 28 7.167 -16.376 81.509 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.377 -17.183 82.542 1.00 0.00 C ATOM 430 CG2 VAL A 28 8.083 -17.320 80.716 1.00 0.00 C ATOM 0 H VAL A 28 6.092 -17.481 79.387 1.00 0.00 H new ATOM 0 HA VAL A 28 5.453 -15.118 81.125 1.00 0.00 H new ATOM 0 HB VAL A 28 7.777 -15.623 82.008 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.069 -17.672 83.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.722 -16.515 83.102 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.777 -17.937 82.033 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.787 -17.800 81.396 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.480 -18.081 80.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.633 -16.749 79.968 1.00 0.00 H new ATOM 440 N ASN A 29 6.201 -14.054 78.786 1.00 0.00 N ATOM 441 CA ASN A 29 6.843 -13.099 77.852 1.00 0.00 C ATOM 442 C ASN A 29 5.748 -12.416 77.038 1.00 0.00 C ATOM 443 O ASN A 29 5.938 -12.051 75.896 1.00 0.00 O ATOM 444 CB ASN A 29 7.785 -13.860 76.925 1.00 0.00 C ATOM 445 CG ASN A 29 7.140 -15.183 76.521 1.00 0.00 C ATOM 446 OD1 ASN A 29 7.211 -16.204 77.329 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.559 -15.289 75.460 1.00 0.00 N flip ATOM 0 H ASN A 29 5.185 -14.113 78.711 1.00 0.00 H new ATOM 0 HA ASN A 29 7.416 -12.352 78.401 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.002 -13.263 76.039 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.735 -14.044 77.426 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.503 -14.491 74.827 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.127 -16.176 75.201 1.00 0.00 H new ATOM 454 N ARG A 30 4.597 -12.251 77.628 1.00 0.00 N ATOM 455 CA ARG A 30 3.462 -11.604 76.920 1.00 0.00 C ATOM 456 C ARG A 30 3.249 -10.208 77.497 1.00 0.00 C ATOM 457 O ARG A 30 3.377 -9.994 78.685 1.00 0.00 O ATOM 458 CB ARG A 30 2.203 -12.445 77.134 1.00 0.00 C ATOM 459 CG ARG A 30 2.520 -13.909 76.819 1.00 0.00 C ATOM 460 CD ARG A 30 1.222 -14.714 76.741 1.00 0.00 C ATOM 461 NE ARG A 30 0.345 -14.145 75.681 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.652 -14.847 75.216 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.868 -16.051 75.672 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.427 -14.347 74.295 1.00 0.00 N ATOM 0 H ARG A 30 4.394 -12.542 78.584 1.00 0.00 H new ATOM 0 HA ARG A 30 3.676 -11.529 75.854 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.856 -12.348 78.163 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.398 -12.088 76.492 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.060 -13.979 75.874 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.170 -14.324 77.589 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.443 -15.759 76.523 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.709 -14.691 77.703 1.00 0.00 H new ATOM 0 HE ARG A 30 0.523 -13.208 75.319 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.258 -16.441 76.390 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.647 -16.601 75.310 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.254 -13.407 73.938 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.206 -14.895 73.931 1.00 0.00 H new ATOM 478 N THR A 31 2.927 -9.250 76.676 1.00 0.00 N ATOM 479 CA THR A 31 2.714 -7.880 77.212 1.00 0.00 C ATOM 480 C THR A 31 1.694 -7.955 78.347 1.00 0.00 C ATOM 481 O THR A 31 0.649 -8.564 78.226 1.00 0.00 O ATOM 482 CB THR A 31 2.216 -6.940 76.109 1.00 0.00 C ATOM 483 OG1 THR A 31 2.895 -7.233 74.895 1.00 0.00 O ATOM 484 CG2 THR A 31 2.501 -5.492 76.517 1.00 0.00 C ATOM 0 H THR A 31 2.803 -9.354 75.669 1.00 0.00 H new ATOM 0 HA THR A 31 3.657 -7.483 77.587 1.00 0.00 H new ATOM 0 HB THR A 31 1.144 -7.077 75.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.576 -6.633 74.189 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.149 -4.818 75.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.984 -5.268 77.450 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.574 -5.358 76.656 1.00 0.00 H new ATOM 492 N LEU A 32 2.021 -7.371 79.460 1.00 0.00 N ATOM 493 CA LEU A 32 1.124 -7.420 80.642 1.00 0.00 C ATOM 494 C LEU A 32 -0.099 -6.508 80.450 1.00 0.00 C ATOM 495 O LEU A 32 -1.095 -6.916 79.888 1.00 0.00 O ATOM 496 CB LEU A 32 1.937 -6.986 81.865 1.00 0.00 C ATOM 497 CG LEU A 32 1.240 -7.418 83.162 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.275 -7.531 84.292 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.190 -6.372 83.548 1.00 0.00 C ATOM 0 H LEU A 32 2.887 -6.852 79.604 1.00 0.00 H new ATOM 0 HA LEU A 32 0.746 -8.433 80.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.934 -7.424 81.819 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.064 -5.903 81.858 1.00 0.00 H new ATOM 0 HG LEU A 32 0.760 -8.385 83.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.777 -7.838 85.212 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.028 -8.271 84.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.755 -6.564 84.444 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.306 -6.677 84.469 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.675 -5.408 83.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.548 -6.285 82.750 1.00 0.00 H new ATOM 511 N GLU A 33 -0.052 -5.292 80.935 1.00 0.00 N ATOM 512 CA GLU A 33 -1.239 -4.391 80.796 1.00 0.00 C ATOM 513 C GLU A 33 -1.295 -3.748 79.402 1.00 0.00 C ATOM 514 O GLU A 33 -2.355 -3.626 78.820 1.00 0.00 O ATOM 515 CB GLU A 33 -1.180 -3.299 81.869 1.00 0.00 C ATOM 516 CG GLU A 33 0.050 -2.413 81.648 1.00 0.00 C ATOM 517 CD GLU A 33 -0.268 -1.335 80.608 1.00 0.00 C ATOM 518 OE1 GLU A 33 -1.428 -0.974 80.491 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.654 -0.889 79.946 1.00 0.00 O ATOM 0 H GLU A 33 0.750 -4.886 81.418 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.140 -4.991 80.925 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.086 -2.693 81.833 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.138 -3.753 82.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.348 -1.948 82.588 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.891 -3.019 81.311 1.00 0.00 H new ATOM 526 N GLY A 34 -0.185 -3.327 78.857 1.00 0.00 N ATOM 527 CA GLY A 34 -0.229 -2.694 77.504 1.00 0.00 C ATOM 528 C GLY A 34 1.181 -2.587 76.927 1.00 0.00 C ATOM 529 O GLY A 34 1.381 -2.637 75.729 1.00 0.00 O ATOM 0 H GLY A 34 0.740 -3.392 79.282 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.859 -3.284 76.838 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.678 -1.703 77.572 1.00 0.00 H new ATOM 533 N GLY A 35 2.156 -2.441 77.770 1.00 0.00 N ATOM 534 CA GLY A 35 3.562 -2.333 77.286 1.00 0.00 C ATOM 535 C GLY A 35 4.504 -2.738 78.415 1.00 0.00 C ATOM 536 O GLY A 35 5.603 -2.232 78.535 1.00 0.00 O ATOM 0 H GLY A 35 2.044 -2.391 78.783 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.713 -2.977 76.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.773 -1.313 76.966 1.00 0.00 H new ATOM 540 N ARG A 36 4.072 -3.640 79.255 1.00 0.00 N ATOM 541 CA ARG A 36 4.922 -4.083 80.396 1.00 0.00 C ATOM 542 C ARG A 36 4.927 -5.622 80.466 1.00 0.00 C ATOM 543 O ARG A 36 3.996 -6.271 80.042 1.00 0.00 O ATOM 544 CB ARG A 36 4.350 -3.476 81.683 1.00 0.00 C ATOM 545 CG ARG A 36 3.915 -2.030 81.392 1.00 0.00 C ATOM 546 CD ARG A 36 3.605 -1.284 82.697 1.00 0.00 C ATOM 547 NE ARG A 36 3.872 0.171 82.505 1.00 0.00 N ATOM 548 CZ ARG A 36 3.395 1.045 83.352 1.00 0.00 C ATOM 549 NH1 ARG A 36 2.676 0.651 84.366 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.639 2.317 83.182 1.00 0.00 N ATOM 0 H ARG A 36 3.159 -4.092 79.198 1.00 0.00 H new ATOM 0 HA ARG A 36 5.951 -3.748 80.266 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.501 -4.063 82.034 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.099 -3.494 82.475 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.704 -1.510 80.849 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.034 -2.032 80.750 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.564 -1.441 82.981 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.219 -1.675 83.508 1.00 0.00 H new ATOM 0 HE ARG A 36 4.429 0.485 81.710 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.484 -0.342 84.500 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.305 1.336 85.025 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.201 2.627 82.389 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.268 3.000 83.842 1.00 0.00 H new ATOM 564 N LYS A 37 5.982 -6.212 80.980 1.00 0.00 N ATOM 565 CA LYS A 37 6.060 -7.709 81.057 1.00 0.00 C ATOM 566 C LYS A 37 5.755 -8.168 82.500 1.00 0.00 C ATOM 567 O LYS A 37 5.748 -7.360 83.404 1.00 0.00 O ATOM 568 CB LYS A 37 7.475 -8.154 80.649 1.00 0.00 C ATOM 569 CG LYS A 37 8.449 -6.973 80.769 1.00 0.00 C ATOM 570 CD LYS A 37 8.605 -6.576 82.244 1.00 0.00 C ATOM 571 CE LYS A 37 9.383 -5.257 82.359 1.00 0.00 C ATOM 572 NZ LYS A 37 10.212 -5.048 81.139 1.00 0.00 N ATOM 0 H LYS A 37 6.795 -5.720 81.351 1.00 0.00 H new ATOM 0 HA LYS A 37 5.329 -8.157 80.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.805 -8.975 81.285 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.467 -8.528 79.625 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.418 -7.245 80.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.080 -6.125 80.192 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.623 -6.469 82.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.128 -7.364 82.787 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.689 -4.426 82.485 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.020 -5.277 83.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.917 -4.306 81.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.698 -5.934 80.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.601 -4.758 80.349 1.00 0.00 H new ATOM 586 N PRO A 38 5.484 -9.449 82.674 1.00 0.00 N ATOM 587 CA PRO A 38 5.149 -10.009 84.007 1.00 0.00 C ATOM 588 C PRO A 38 6.391 -10.170 84.913 1.00 0.00 C ATOM 589 O PRO A 38 6.465 -11.100 85.695 1.00 0.00 O ATOM 590 CB PRO A 38 4.558 -11.397 83.694 1.00 0.00 C ATOM 591 CG PRO A 38 4.873 -11.713 82.208 1.00 0.00 C ATOM 592 CD PRO A 38 5.466 -10.441 81.574 1.00 0.00 C ATOM 0 HA PRO A 38 4.471 -9.349 84.548 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.991 -12.154 84.347 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.482 -11.404 83.868 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.578 -12.541 82.134 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.968 -12.017 81.681 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.469 -10.622 81.187 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.859 -10.095 80.738 1.00 0.00 H new ATOM 600 N LEU A 39 7.361 -9.287 84.830 1.00 0.00 N ATOM 601 CA LEU A 39 8.582 -9.422 85.703 1.00 0.00 C ATOM 602 C LEU A 39 8.824 -8.104 86.453 1.00 0.00 C ATOM 603 O LEU A 39 9.517 -8.059 87.448 1.00 0.00 O ATOM 604 CB LEU A 39 9.799 -9.742 84.811 1.00 0.00 C ATOM 605 CG LEU A 39 11.019 -10.291 85.609 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.608 -10.966 86.920 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.753 -11.319 84.735 1.00 0.00 C ATOM 0 H LEU A 39 7.364 -8.484 84.202 1.00 0.00 H new ATOM 0 HA LEU A 39 8.434 -10.223 86.427 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.507 -10.474 84.058 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.098 -8.839 84.279 1.00 0.00 H new ATOM 0 HG LEU A 39 11.659 -9.445 85.860 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.496 -11.330 87.436 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.090 -10.246 87.553 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.944 -11.803 86.706 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.611 -11.713 85.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.075 -12.135 84.486 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.095 -10.839 83.818 1.00 0.00 H new ATOM 619 N HIS A 40 8.250 -7.033 85.979 1.00 0.00 N ATOM 620 CA HIS A 40 8.436 -5.711 86.648 1.00 0.00 C ATOM 621 C HIS A 40 7.659 -5.706 87.966 1.00 0.00 C ATOM 622 O HIS A 40 8.156 -5.294 88.996 1.00 0.00 O ATOM 623 CB HIS A 40 7.883 -4.623 85.721 1.00 0.00 C ATOM 624 CG HIS A 40 8.455 -3.277 86.075 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.922 -2.750 87.254 1.00 0.00 N flip ATOM 626 CD2 HIS A 40 8.582 -2.269 85.134 1.00 0.00 C flip ATOM 627 CE1 HIS A 40 9.331 -1.436 87.048 1.00 0.00 C flip ATOM 628 NE2 HIS A 40 9.104 -1.197 85.755 1.00 0.00 N flip ATOM 0 H HIS A 40 7.655 -7.015 85.151 1.00 0.00 H new ATOM 0 HA HIS A 40 9.491 -5.528 86.851 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.124 -4.864 84.686 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.796 -4.592 85.797 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.311 -2.333 84.091 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.744 -0.756 87.778 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.302 -0.309 85.294 1.00 0.00 H new ATOM 636 N TYR A 41 6.445 -6.177 87.934 1.00 0.00 N ATOM 637 CA TYR A 41 5.618 -6.222 89.173 1.00 0.00 C ATOM 638 C TYR A 41 6.168 -7.304 90.094 1.00 0.00 C ATOM 639 O TYR A 41 6.245 -7.137 91.295 1.00 0.00 O ATOM 640 CB TYR A 41 4.184 -6.553 88.786 1.00 0.00 C ATOM 641 CG TYR A 41 3.774 -5.634 87.667 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.208 -5.882 86.358 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.980 -4.518 87.941 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.845 -5.012 85.326 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.614 -3.651 86.909 1.00 0.00 C ATOM 646 CZ TYR A 41 3.047 -3.897 85.601 1.00 0.00 C ATOM 647 OH TYR A 41 2.688 -3.039 84.584 1.00 0.00 O ATOM 0 H TYR A 41 5.986 -6.536 87.097 1.00 0.00 H new ATOM 0 HA TYR A 41 5.646 -5.262 89.688 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.106 -7.594 88.471 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.521 -6.429 89.642 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.822 -6.745 86.147 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.649 -4.326 88.951 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.181 -5.201 84.317 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.997 -2.790 87.120 1.00 0.00 H new ATOM 0 HH TYR A 41 2.132 -2.317 84.946 1.00 0.00 H new ATOM 657 N ALA A 42 6.576 -8.406 89.532 1.00 0.00 N ATOM 658 CA ALA A 42 7.150 -9.491 90.363 1.00 0.00 C ATOM 659 C ALA A 42 8.445 -8.966 90.958 1.00 0.00 C ATOM 660 O ALA A 42 8.622 -8.902 92.156 1.00 0.00 O ATOM 661 CB ALA A 42 7.453 -10.700 89.479 1.00 0.00 C ATOM 0 H ALA A 42 6.535 -8.600 88.531 1.00 0.00 H new ATOM 0 HA ALA A 42 6.454 -9.791 91.146 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.875 -11.499 90.088 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.532 -11.048 89.011 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.168 -10.416 88.707 1.00 0.00 H new ATOM 667 N ALA A 43 9.343 -8.558 90.119 1.00 0.00 N ATOM 668 CA ALA A 43 10.623 -8.005 90.615 1.00 0.00 C ATOM 669 C ALA A 43 10.326 -6.895 91.632 1.00 0.00 C ATOM 670 O ALA A 43 10.738 -6.953 92.774 1.00 0.00 O ATOM 671 CB ALA A 43 11.382 -7.405 89.429 1.00 0.00 C ATOM 0 H ALA A 43 9.246 -8.584 89.104 1.00 0.00 H new ATOM 0 HA ALA A 43 11.217 -8.788 91.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.329 -6.992 89.775 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.574 -8.182 88.689 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.784 -6.613 88.977 1.00 0.00 H new ATOM 677 N ASP A 44 9.622 -5.881 91.210 1.00 0.00 N ATOM 678 CA ASP A 44 9.297 -4.735 92.111 1.00 0.00 C ATOM 679 C ASP A 44 8.564 -5.185 93.384 1.00 0.00 C ATOM 680 O ASP A 44 8.737 -4.601 94.435 1.00 0.00 O ATOM 681 CB ASP A 44 8.409 -3.751 91.351 1.00 0.00 C ATOM 682 CG ASP A 44 8.012 -2.599 92.275 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.740 -2.347 93.221 1.00 0.00 O ATOM 684 OD2 ASP A 44 6.987 -1.990 92.021 1.00 0.00 O ATOM 0 H ASP A 44 9.251 -5.795 90.264 1.00 0.00 H new ATOM 0 HA ASP A 44 10.235 -4.271 92.415 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.939 -3.366 90.480 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.518 -4.259 90.983 1.00 0.00 H new ATOM 689 N CYS A 45 7.736 -6.191 93.310 1.00 0.00 N ATOM 690 CA CYS A 45 6.990 -6.625 94.533 1.00 0.00 C ATOM 691 C CYS A 45 6.475 -8.045 94.338 1.00 0.00 C ATOM 692 O CYS A 45 5.287 -8.294 94.362 1.00 0.00 O ATOM 693 CB CYS A 45 5.788 -5.698 94.749 1.00 0.00 C ATOM 694 SG CYS A 45 6.352 -4.095 95.373 1.00 0.00 S ATOM 0 H CYS A 45 7.543 -6.729 92.465 1.00 0.00 H new ATOM 0 HA CYS A 45 7.658 -6.585 95.394 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.248 -5.564 93.812 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.092 -6.149 95.456 1.00 0.00 H new ATOM 0 HG CYS A 45 7.621 -3.955 95.126 1.00 0.00 H new ATOM 700 N GLY A 46 7.357 -8.979 94.141 1.00 0.00 N ATOM 701 CA GLY A 46 6.915 -10.392 93.938 1.00 0.00 C ATOM 702 C GLY A 46 7.349 -11.251 95.123 1.00 0.00 C ATOM 703 O GLY A 46 7.601 -12.431 94.976 1.00 0.00 O ATOM 0 H GLY A 46 8.366 -8.831 94.111 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.831 -10.430 93.828 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.343 -10.787 93.016 1.00 0.00 H new ATOM 707 N GLN A 47 7.464 -10.681 96.292 1.00 0.00 N ATOM 708 CA GLN A 47 7.911 -11.492 97.454 1.00 0.00 C ATOM 709 C GLN A 47 9.216 -12.187 97.054 1.00 0.00 C ATOM 710 O GLN A 47 9.705 -13.074 97.722 1.00 0.00 O ATOM 711 CB GLN A 47 6.829 -12.518 97.814 1.00 0.00 C ATOM 712 CG GLN A 47 5.802 -11.872 98.753 1.00 0.00 C ATOM 713 CD GLN A 47 5.396 -10.490 98.227 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.723 -10.400 97.113 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.688 -9.483 98.841 1.00 0.00 N flip ATOM 0 H GLN A 47 7.270 -9.699 96.489 1.00 0.00 H new ATOM 0 HA GLN A 47 8.078 -10.866 98.331 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.336 -12.875 96.910 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.281 -13.386 98.294 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.922 -12.510 98.835 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.223 -11.778 99.754 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.214 -9.551 99.712 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.407 -8.569 98.485 1.00 0.00 H new ATOM 724 N LEU A 48 9.778 -11.735 95.963 1.00 0.00 N ATOM 725 CA LEU A 48 11.073 -12.272 95.443 1.00 0.00 C ATOM 726 C LEU A 48 10.949 -13.737 95.011 1.00 0.00 C ATOM 727 O LEU A 48 11.911 -14.347 94.590 1.00 0.00 O ATOM 728 CB LEU A 48 12.152 -12.132 96.514 1.00 0.00 C ATOM 729 CG LEU A 48 12.654 -10.670 96.632 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.882 -9.708 95.719 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.504 -10.190 98.077 1.00 0.00 C ATOM 0 H LEU A 48 9.379 -10.990 95.392 1.00 0.00 H new ATOM 0 HA LEU A 48 11.349 -11.692 94.562 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.756 -12.460 97.475 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.990 -12.787 96.275 1.00 0.00 H new ATOM 0 HG LEU A 48 13.699 -10.667 96.323 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.273 -8.698 95.841 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.998 -10.020 94.681 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.825 -9.722 95.986 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.858 -9.162 98.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.455 -10.237 98.369 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.093 -10.829 98.736 1.00 0.00 H new ATOM 743 N GLU A 49 9.782 -14.300 95.088 1.00 0.00 N ATOM 744 CA GLU A 49 9.588 -15.707 94.649 1.00 0.00 C ATOM 745 C GLU A 49 9.001 -15.710 93.240 1.00 0.00 C ATOM 746 O GLU A 49 9.305 -16.557 92.421 1.00 0.00 O ATOM 747 CB GLU A 49 8.615 -16.408 95.583 1.00 0.00 C ATOM 748 CG GLU A 49 9.059 -16.219 97.029 1.00 0.00 C ATOM 749 CD GLU A 49 8.235 -17.135 97.937 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.094 -16.799 98.207 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.760 -18.157 98.348 1.00 0.00 O ATOM 0 H GLU A 49 8.942 -13.841 95.441 1.00 0.00 H new ATOM 0 HA GLU A 49 10.547 -16.225 94.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.611 -16.006 95.446 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.568 -17.470 95.343 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.120 -16.449 97.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.929 -15.179 97.328 1.00 0.00 H new ATOM 758 N ILE A 50 8.131 -14.776 92.974 1.00 0.00 N ATOM 759 CA ILE A 50 7.473 -14.709 91.640 1.00 0.00 C ATOM 760 C ILE A 50 8.473 -14.396 90.535 1.00 0.00 C ATOM 761 O ILE A 50 8.380 -14.935 89.453 1.00 0.00 O ATOM 762 CB ILE A 50 6.394 -13.630 91.662 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.471 -13.870 92.884 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.623 -13.682 90.333 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.989 -13.750 92.518 1.00 0.00 C ATOM 0 H ILE A 50 7.845 -14.049 93.630 1.00 0.00 H new ATOM 0 HA ILE A 50 7.033 -15.684 91.432 1.00 0.00 H new ATOM 0 HB ILE A 50 6.827 -12.635 91.763 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.664 -14.861 93.294 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.711 -13.149 93.666 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.847 -12.916 90.332 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.310 -13.503 89.506 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.164 -14.664 90.217 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.380 -13.926 93.405 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.789 -12.750 92.133 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.742 -14.489 91.756 1.00 0.00 H new ATOM 777 N LEU A 51 9.419 -13.533 90.766 1.00 0.00 N ATOM 778 CA LEU A 51 10.374 -13.229 89.672 1.00 0.00 C ATOM 779 C LEU A 51 11.108 -14.519 89.281 1.00 0.00 C ATOM 780 O LEU A 51 11.187 -14.873 88.127 1.00 0.00 O ATOM 781 CB LEU A 51 11.397 -12.124 90.048 1.00 0.00 C ATOM 782 CG LEU A 51 11.563 -11.889 91.563 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.249 -11.435 92.217 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.083 -13.154 92.241 1.00 0.00 C ATOM 0 H LEU A 51 9.570 -13.036 91.644 1.00 0.00 H new ATOM 0 HA LEU A 51 9.800 -12.842 88.830 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.367 -12.387 89.626 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.089 -11.189 89.580 1.00 0.00 H new ATOM 0 HG LEU A 51 12.290 -11.088 91.695 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.408 -11.280 93.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.919 -10.502 91.760 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.487 -12.200 92.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.196 -12.974 93.310 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.376 -13.968 92.083 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.049 -13.424 91.815 1.00 0.00 H new ATOM 796 N GLU A 52 11.635 -15.217 90.237 1.00 0.00 N ATOM 797 CA GLU A 52 12.357 -16.491 89.951 1.00 0.00 C ATOM 798 C GLU A 52 11.432 -17.491 89.246 1.00 0.00 C ATOM 799 O GLU A 52 11.843 -18.213 88.365 1.00 0.00 O ATOM 800 CB GLU A 52 12.807 -17.115 91.285 1.00 0.00 C ATOM 801 CG GLU A 52 14.328 -17.278 91.318 1.00 0.00 C ATOM 802 CD GLU A 52 14.740 -18.472 90.452 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.037 -18.756 89.496 1.00 0.00 O ATOM 804 OE2 GLU A 52 15.750 -19.083 90.761 1.00 0.00 O ATOM 0 H GLU A 52 11.599 -14.960 91.223 1.00 0.00 H new ATOM 0 HA GLU A 52 13.210 -16.273 89.309 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.485 -16.485 92.114 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.329 -18.085 91.418 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.808 -16.370 90.954 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.665 -17.427 92.344 1.00 0.00 H new ATOM 811 N PHE A 53 10.202 -17.570 89.681 1.00 0.00 N ATOM 812 CA PHE A 53 9.240 -18.567 89.111 1.00 0.00 C ATOM 813 C PHE A 53 9.057 -18.435 87.596 1.00 0.00 C ATOM 814 O PHE A 53 9.562 -19.226 86.833 1.00 0.00 O ATOM 815 CB PHE A 53 7.876 -18.371 89.767 1.00 0.00 C ATOM 816 CG PHE A 53 6.836 -19.139 88.985 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.945 -20.528 88.856 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.770 -18.461 88.382 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.988 -21.241 88.127 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.812 -19.173 87.654 1.00 0.00 C ATOM 821 CZ PHE A 53 4.922 -20.566 87.526 1.00 0.00 C ATOM 0 H PHE A 53 9.815 -16.979 90.417 1.00 0.00 H new ATOM 0 HA PHE A 53 9.656 -19.554 89.312 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.902 -18.718 90.800 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.620 -17.312 89.793 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.769 -21.050 89.320 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.688 -17.389 88.479 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.073 -22.313 88.028 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.988 -18.651 87.190 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.183 -21.117 86.963 1.00 0.00 H new ATOM 831 N LEU A 54 8.282 -17.489 87.154 1.00 0.00 N ATOM 832 CA LEU A 54 8.029 -17.384 85.691 1.00 0.00 C ATOM 833 C LEU A 54 9.348 -17.280 84.926 1.00 0.00 C ATOM 834 O LEU A 54 9.398 -17.481 83.729 1.00 0.00 O ATOM 835 CB LEU A 54 7.138 -16.171 85.384 1.00 0.00 C ATOM 836 CG LEU A 54 7.244 -15.115 86.481 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.708 -14.721 86.679 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.431 -13.881 86.067 1.00 0.00 C ATOM 0 H LEU A 54 7.817 -16.790 87.733 1.00 0.00 H new ATOM 0 HA LEU A 54 7.510 -18.286 85.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.429 -15.736 84.428 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.102 -16.494 85.285 1.00 0.00 H new ATOM 0 HG LEU A 54 6.854 -15.518 87.416 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.779 -13.967 87.463 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.285 -15.599 86.967 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.105 -14.315 85.748 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.501 -13.121 86.845 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.826 -13.481 85.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.387 -14.163 85.928 1.00 0.00 H new ATOM 850 N LEU A 55 10.418 -16.991 85.601 1.00 0.00 N ATOM 851 CA LEU A 55 11.732 -16.897 84.903 1.00 0.00 C ATOM 852 C LEU A 55 12.238 -18.304 84.572 1.00 0.00 C ATOM 853 O LEU A 55 12.723 -18.556 83.486 1.00 0.00 O ATOM 854 CB LEU A 55 12.740 -16.182 85.809 1.00 0.00 C ATOM 855 CG LEU A 55 13.979 -15.754 85.010 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.798 -14.774 85.852 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.847 -16.978 84.684 1.00 0.00 C ATOM 0 H LEU A 55 10.445 -16.815 86.605 1.00 0.00 H new ATOM 0 HA LEU A 55 11.615 -16.332 83.978 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.273 -15.307 86.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.037 -16.843 86.624 1.00 0.00 H new ATOM 0 HG LEU A 55 13.661 -15.283 84.080 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.681 -14.464 85.293 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.191 -13.900 86.086 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.107 -15.259 86.778 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.723 -16.662 84.117 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.167 -17.454 85.611 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.268 -17.687 84.092 1.00 0.00 H new ATOM 869 N LEU A 56 12.134 -19.229 85.490 1.00 0.00 N ATOM 870 CA LEU A 56 12.627 -20.606 85.187 1.00 0.00 C ATOM 871 C LEU A 56 11.815 -21.203 84.035 1.00 0.00 C ATOM 872 O LEU A 56 12.321 -21.982 83.253 1.00 0.00 O ATOM 873 CB LEU A 56 12.625 -21.544 86.419 1.00 0.00 C ATOM 874 CG LEU A 56 11.523 -21.200 87.430 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.206 -21.844 87.000 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.923 -21.759 88.798 1.00 0.00 C ATOM 0 H LEU A 56 11.737 -19.096 86.420 1.00 0.00 H new ATOM 0 HA LEU A 56 13.672 -20.516 84.889 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.496 -22.574 86.085 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.595 -21.488 86.913 1.00 0.00 H new ATOM 0 HG LEU A 56 11.397 -20.118 87.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.427 -21.596 87.721 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.922 -21.470 86.017 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.328 -22.926 86.955 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.149 -21.522 89.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.039 -22.841 88.729 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.867 -21.312 89.112 1.00 0.00 H new ATOM 888 N LYS A 57 10.580 -20.813 83.882 1.00 0.00 N ATOM 889 CA LYS A 57 9.795 -21.334 82.730 1.00 0.00 C ATOM 890 C LYS A 57 10.477 -20.784 81.480 1.00 0.00 C ATOM 891 O LYS A 57 11.401 -21.371 80.952 1.00 0.00 O ATOM 892 CB LYS A 57 8.342 -20.830 82.801 1.00 0.00 C ATOM 893 CG LYS A 57 7.398 -21.987 83.146 1.00 0.00 C ATOM 894 CD LYS A 57 7.633 -22.433 84.591 1.00 0.00 C ATOM 895 CE LYS A 57 6.696 -23.593 84.933 1.00 0.00 C ATOM 896 NZ LYS A 57 7.135 -24.220 86.212 1.00 0.00 N ATOM 0 H LYS A 57 10.086 -20.165 84.496 1.00 0.00 H new ATOM 0 HA LYS A 57 9.763 -22.424 82.729 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.258 -20.045 83.553 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.055 -20.389 81.846 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.362 -21.674 83.016 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.567 -22.822 82.466 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.670 -22.740 84.722 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.459 -21.600 85.272 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.671 -23.233 85.024 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.705 -24.331 84.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.411 -24.893 86.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.033 -24.723 86.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.268 -23.482 86.933 1.00 0.00 H new ATOM 910 N GLY A 58 10.069 -19.625 81.043 1.00 0.00 N ATOM 911 CA GLY A 58 10.728 -18.986 79.876 1.00 0.00 C ATOM 912 C GLY A 58 11.801 -18.050 80.430 1.00 0.00 C ATOM 913 O GLY A 58 12.723 -18.482 81.089 1.00 0.00 O ATOM 0 H GLY A 58 9.301 -19.091 81.450 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.171 -19.738 79.223 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.004 -18.432 79.279 1.00 0.00 H new ATOM 917 N ALA A 59 11.673 -16.771 80.209 1.00 0.00 N ATOM 918 CA ALA A 59 12.677 -15.823 80.773 1.00 0.00 C ATOM 919 C ALA A 59 12.500 -14.426 80.166 1.00 0.00 C ATOM 920 O ALA A 59 13.227 -14.023 79.281 1.00 0.00 O ATOM 921 CB ALA A 59 14.101 -16.343 80.516 1.00 0.00 C ATOM 0 H ALA A 59 10.923 -16.343 79.667 1.00 0.00 H new ATOM 0 HA ALA A 59 12.520 -15.751 81.849 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.825 -15.642 80.932 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.224 -17.317 80.990 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.265 -16.439 79.443 1.00 0.00 H new ATOM 927 N ASP A 60 11.554 -13.674 80.663 1.00 0.00 N ATOM 928 CA ASP A 60 11.344 -12.291 80.156 1.00 0.00 C ATOM 929 C ASP A 60 12.450 -11.420 80.751 1.00 0.00 C ATOM 930 O ASP A 60 12.475 -10.211 80.615 1.00 0.00 O ATOM 931 CB ASP A 60 9.973 -11.795 80.620 1.00 0.00 C ATOM 932 CG ASP A 60 9.728 -10.385 80.088 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.132 -9.446 80.752 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.136 -10.269 79.029 1.00 0.00 O ATOM 0 H ASP A 60 10.915 -13.963 81.403 1.00 0.00 H new ATOM 0 HA ASP A 60 11.377 -12.254 79.067 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.193 -12.468 80.265 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.925 -11.797 81.709 1.00 0.00 H new ATOM 939 N ILE A 61 13.358 -12.066 81.424 1.00 0.00 N ATOM 940 CA ILE A 61 14.500 -11.375 82.082 1.00 0.00 C ATOM 941 C ILE A 61 15.229 -10.476 81.088 1.00 0.00 C ATOM 942 O ILE A 61 15.926 -9.555 81.464 1.00 0.00 O ATOM 943 CB ILE A 61 15.454 -12.459 82.574 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.562 -11.849 83.427 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.076 -13.155 81.363 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.614 -12.924 83.724 1.00 0.00 C ATOM 0 H ILE A 61 13.355 -13.078 81.549 1.00 0.00 H new ATOM 0 HA ILE A 61 14.143 -10.752 82.902 1.00 0.00 H new ATOM 0 HB ILE A 61 14.899 -13.175 83.181 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.020 -11.009 82.905 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.149 -11.459 84.357 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.760 -13.933 81.702 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.289 -13.604 80.757 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.623 -12.426 80.765 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.410 -12.496 84.334 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.149 -13.750 84.263 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.033 -13.292 82.787 1.00 0.00 H new ATOM 958 N ASN A 62 15.089 -10.746 79.825 1.00 0.00 N ATOM 959 CA ASN A 62 15.789 -9.922 78.796 1.00 0.00 C ATOM 960 C ASN A 62 14.798 -9.505 77.702 1.00 0.00 C ATOM 961 O ASN A 62 14.945 -8.479 77.074 1.00 0.00 O ATOM 962 CB ASN A 62 16.927 -10.756 78.188 1.00 0.00 C ATOM 963 CG ASN A 62 16.355 -12.047 77.601 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.474 -12.723 78.285 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 16.710 -12.444 76.507 1.00 0.00 N flip ATOM 0 H ASN A 62 14.518 -11.505 79.454 1.00 0.00 H new ATOM 0 HA ASN A 62 16.198 -9.022 79.255 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.436 -10.185 77.411 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.670 -10.989 78.951 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.399 -11.916 75.972 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.319 -13.305 76.125 1.00 0.00 H new ATOM 972 N ALA A 63 13.797 -10.310 77.487 1.00 0.00 N ATOM 973 CA ALA A 63 12.748 -10.032 76.443 1.00 0.00 C ATOM 974 C ALA A 63 12.617 -8.537 76.062 1.00 0.00 C ATOM 975 O ALA A 63 12.712 -8.210 74.899 1.00 0.00 O ATOM 976 CB ALA A 63 11.408 -10.537 76.961 1.00 0.00 C ATOM 0 H ALA A 63 13.650 -11.178 78.003 1.00 0.00 H new ATOM 0 HA ALA A 63 13.057 -10.550 75.535 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.635 -10.344 76.218 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.471 -11.609 77.149 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.158 -10.020 77.887 1.00 0.00 H new ATOM 982 N PRO A 64 12.392 -7.675 77.034 1.00 0.00 N ATOM 983 CA PRO A 64 12.221 -6.234 76.821 1.00 0.00 C ATOM 984 C PRO A 64 12.718 -5.733 75.460 1.00 0.00 C ATOM 985 O PRO A 64 13.769 -6.099 74.973 1.00 0.00 O ATOM 986 CB PRO A 64 13.004 -5.667 77.999 1.00 0.00 C ATOM 987 CG PRO A 64 12.882 -6.739 79.125 1.00 0.00 C ATOM 988 CD PRO A 64 12.314 -8.013 78.463 1.00 0.00 C ATOM 0 HA PRO A 64 11.177 -5.924 76.788 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.046 -5.493 77.732 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.594 -4.710 78.320 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.854 -6.938 79.577 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.225 -6.391 79.922 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.904 -8.897 78.706 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.291 -8.216 78.779 1.00 0.00 H new ATOM 996 N ASP A 65 11.913 -4.890 74.855 1.00 0.00 N ATOM 997 CA ASP A 65 12.222 -4.304 73.516 1.00 0.00 C ATOM 998 C ASP A 65 11.789 -2.830 73.532 1.00 0.00 C ATOM 999 O ASP A 65 12.528 -1.944 73.142 1.00 0.00 O ATOM 1000 CB ASP A 65 11.419 -5.044 72.443 1.00 0.00 C ATOM 1001 CG ASP A 65 12.090 -6.380 72.132 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.187 -6.359 71.600 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.494 -7.402 72.427 1.00 0.00 O ATOM 0 H ASP A 65 11.027 -4.576 75.250 1.00 0.00 H new ATOM 0 HA ASP A 65 13.287 -4.392 73.300 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.398 -5.210 72.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.356 -4.438 71.539 1.00 0.00 H new ATOM 1008 N LYS A 66 10.591 -2.573 73.989 1.00 0.00 N ATOM 1009 CA LYS A 66 10.070 -1.184 74.055 1.00 0.00 C ATOM 1010 C LYS A 66 10.474 -0.567 75.397 1.00 0.00 C ATOM 1011 O LYS A 66 10.559 0.635 75.550 1.00 0.00 O ATOM 1012 CB LYS A 66 8.546 -1.251 73.958 1.00 0.00 C ATOM 1013 CG LYS A 66 7.986 0.089 73.490 1.00 0.00 C ATOM 1014 CD LYS A 66 8.076 1.130 74.617 1.00 0.00 C ATOM 1015 CE LYS A 66 6.820 2.005 74.613 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.509 2.430 73.217 1.00 0.00 N ATOM 0 H LYS A 66 9.942 -3.285 74.325 1.00 0.00 H new ATOM 0 HA LYS A 66 10.473 -0.576 73.245 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.253 -2.038 73.263 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.124 -1.510 74.929 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.541 0.438 72.619 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.948 -0.032 73.180 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.179 0.630 75.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.963 1.749 74.483 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.979 1.453 75.031 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.972 2.880 75.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.069 3.372 73.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.387 2.466 72.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.854 1.748 72.784 1.00 0.00 H new ATOM 1030 N HIS A 67 10.719 -1.399 76.369 1.00 0.00 N ATOM 1031 CA HIS A 67 11.112 -0.910 77.717 1.00 0.00 C ATOM 1032 C HIS A 67 12.600 -0.555 77.734 1.00 0.00 C ATOM 1033 O HIS A 67 13.111 -0.045 78.711 1.00 0.00 O ATOM 1034 CB HIS A 67 10.844 -2.029 78.729 1.00 0.00 C ATOM 1035 CG HIS A 67 9.625 -2.810 78.313 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.622 -3.640 77.202 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.364 -2.899 78.850 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.397 -4.189 77.110 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.591 -3.771 78.089 1.00 0.00 N ATOM 0 H HIS A 67 10.662 -2.414 76.284 1.00 0.00 H new ATOM 0 HA HIS A 67 10.537 -0.019 77.970 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.708 -2.691 78.791 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.695 -1.606 79.722 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.024 -2.372 79.729 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.101 -4.884 76.338 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.618 -4.034 78.245 1.00 0.00 H new ATOM 1047 N HIS A 68 13.299 -0.818 76.662 1.00 0.00 N ATOM 1048 CA HIS A 68 14.758 -0.503 76.617 1.00 0.00 C ATOM 1049 C HIS A 68 15.408 -0.837 77.956 1.00 0.00 C ATOM 1050 O HIS A 68 16.458 -0.325 78.288 1.00 0.00 O ATOM 1051 CB HIS A 68 14.960 0.985 76.323 1.00 0.00 C ATOM 1052 CG HIS A 68 16.434 1.273 76.195 1.00 0.00 C ATOM 1053 ND1 HIS A 68 17.302 0.411 75.541 1.00 0.00 N ATOM 1054 CD2 HIS A 68 17.207 2.320 76.632 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.534 0.951 75.603 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.532 2.115 76.259 1.00 0.00 N ATOM 0 H HIS A 68 12.922 -1.239 75.813 1.00 0.00 H new ATOM 0 HA HIS A 68 15.219 -1.100 75.830 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.443 1.259 75.403 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.528 1.587 77.123 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.842 3.174 77.183 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.416 0.498 75.175 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.330 2.722 76.446 1.00 0.00 H new ATOM 1064 N ILE A 69 14.803 -1.688 78.736 1.00 0.00 N ATOM 1065 CA ILE A 69 15.420 -2.031 80.040 1.00 0.00 C ATOM 1066 C ILE A 69 14.977 -3.417 80.491 1.00 0.00 C ATOM 1067 O ILE A 69 13.930 -3.919 80.123 1.00 0.00 O ATOM 1068 CB ILE A 69 15.029 -0.989 81.099 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.296 -0.460 81.786 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.099 -1.612 82.151 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.038 -1.594 82.505 1.00 0.00 C ATOM 0 H ILE A 69 13.920 -2.154 78.528 1.00 0.00 H new ATOM 0 HA ILE A 69 16.503 -2.031 79.921 1.00 0.00 H new ATOM 0 HB ILE A 69 14.503 -0.170 80.608 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.952 -0.001 81.046 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.030 0.318 82.502 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.833 -0.859 82.893 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.195 -1.979 81.666 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.609 -2.441 82.642 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.932 -1.197 82.985 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.386 -2.034 83.260 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.323 -2.358 81.782 1.00 0.00 H new ATOM 1083 N THR A 70 15.788 -4.022 81.304 1.00 0.00 N ATOM 1084 CA THR A 70 15.481 -5.362 81.840 1.00 0.00 C ATOM 1085 C THR A 70 15.097 -5.170 83.320 1.00 0.00 C ATOM 1086 O THR A 70 15.417 -4.153 83.903 1.00 0.00 O ATOM 1087 CB THR A 70 16.716 -6.239 81.655 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.756 -7.238 82.653 1.00 0.00 O ATOM 1089 CG2 THR A 70 17.963 -5.352 81.729 1.00 0.00 C ATOM 0 H THR A 70 16.673 -3.630 81.625 1.00 0.00 H new ATOM 0 HA THR A 70 14.655 -5.855 81.328 1.00 0.00 H new ATOM 0 HB THR A 70 16.680 -6.734 80.684 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.556 -8.109 82.252 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.854 -5.966 81.598 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.922 -4.600 80.941 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.001 -4.859 82.700 1.00 0.00 H new ATOM 1097 N PRO A 71 14.354 -6.091 83.867 1.00 0.00 N ATOM 1098 CA PRO A 71 13.842 -5.974 85.249 1.00 0.00 C ATOM 1099 C PRO A 71 14.927 -6.037 86.346 1.00 0.00 C ATOM 1100 O PRO A 71 14.652 -5.689 87.474 1.00 0.00 O ATOM 1101 CB PRO A 71 12.854 -7.150 85.376 1.00 0.00 C ATOM 1102 CG PRO A 71 12.677 -7.724 83.950 1.00 0.00 C ATOM 1103 CD PRO A 71 13.932 -7.325 83.181 1.00 0.00 C ATOM 0 HA PRO A 71 13.390 -4.995 85.406 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.239 -7.910 86.056 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.900 -6.814 85.781 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.563 -8.808 83.976 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.783 -7.321 83.475 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.699 -8.098 83.229 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.722 -7.150 82.126 1.00 0.00 H new ATOM 1111 N LEU A 72 16.138 -6.462 86.089 1.00 0.00 N ATOM 1112 CA LEU A 72 17.105 -6.482 87.229 1.00 0.00 C ATOM 1113 C LEU A 72 17.213 -5.071 87.792 1.00 0.00 C ATOM 1114 O LEU A 72 17.274 -4.881 88.986 1.00 0.00 O ATOM 1115 CB LEU A 72 18.519 -6.979 86.829 1.00 0.00 C ATOM 1116 CG LEU A 72 18.523 -7.833 85.549 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.254 -8.696 85.436 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.659 -6.919 84.331 1.00 0.00 C ATOM 0 H LEU A 72 16.488 -6.782 85.186 1.00 0.00 H new ATOM 0 HA LEU A 72 16.724 -7.186 87.969 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.172 -6.118 86.686 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.937 -7.563 87.649 1.00 0.00 H new ATOM 0 HG LEU A 72 19.373 -8.514 85.593 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.294 -9.284 84.519 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.191 -9.365 86.294 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.376 -8.051 85.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.662 -7.521 83.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.820 -6.224 84.302 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.592 -6.359 84.398 1.00 0.00 H new ATOM 1130 N LEU A 73 17.222 -4.078 86.945 1.00 0.00 N ATOM 1131 CA LEU A 73 17.311 -2.684 87.455 1.00 0.00 C ATOM 1132 C LEU A 73 15.978 -2.295 88.091 1.00 0.00 C ATOM 1133 O LEU A 73 15.907 -1.422 88.929 1.00 0.00 O ATOM 1134 CB LEU A 73 17.666 -1.729 86.318 1.00 0.00 C ATOM 1135 CG LEU A 73 18.970 -2.211 85.666 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.663 -3.218 84.550 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.727 -1.022 85.080 1.00 0.00 C ATOM 0 H LEU A 73 17.172 -4.172 85.931 1.00 0.00 H new ATOM 0 HA LEU A 73 18.096 -2.620 88.208 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.862 -1.701 85.582 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.785 -0.715 86.699 1.00 0.00 H new ATOM 0 HG LEU A 73 19.583 -2.694 86.427 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.595 -3.553 84.095 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.135 -4.075 84.968 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.040 -2.743 83.792 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.651 -1.371 84.619 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.109 -0.532 84.328 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.962 -0.313 85.874 1.00 0.00 H new ATOM 1149 N SER A 74 14.919 -2.951 87.718 1.00 0.00 N ATOM 1150 CA SER A 74 13.612 -2.625 88.331 1.00 0.00 C ATOM 1151 C SER A 74 13.716 -2.806 89.851 1.00 0.00 C ATOM 1152 O SER A 74 13.312 -1.954 90.625 1.00 0.00 O ATOM 1153 CB SER A 74 12.533 -3.548 87.761 1.00 0.00 C ATOM 1154 OG SER A 74 11.288 -3.257 88.378 1.00 0.00 O ATOM 0 H SER A 74 14.904 -3.694 87.019 1.00 0.00 H new ATOM 0 HA SER A 74 13.343 -1.593 88.107 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.457 -3.413 86.682 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.802 -4.590 87.934 1.00 0.00 H new ATOM 0 HG SER A 74 10.558 -3.489 87.767 1.00 0.00 H new ATOM 1160 N ALA A 75 14.262 -3.908 90.289 1.00 0.00 N ATOM 1161 CA ALA A 75 14.389 -4.134 91.761 1.00 0.00 C ATOM 1162 C ALA A 75 15.484 -3.230 92.347 1.00 0.00 C ATOM 1163 O ALA A 75 15.399 -2.791 93.479 1.00 0.00 O ATOM 1164 CB ALA A 75 14.729 -5.601 92.033 1.00 0.00 C ATOM 0 H ALA A 75 14.623 -4.657 89.699 1.00 0.00 H new ATOM 0 HA ALA A 75 13.439 -3.889 92.237 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.820 -5.760 93.107 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.937 -6.237 91.638 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.672 -5.852 91.548 1.00 0.00 H new ATOM 1170 N VAL A 76 16.512 -2.954 91.588 1.00 0.00 N ATOM 1171 CA VAL A 76 17.619 -2.089 92.090 1.00 0.00 C ATOM 1172 C VAL A 76 17.034 -0.892 92.859 1.00 0.00 C ATOM 1173 O VAL A 76 17.200 -0.775 94.057 1.00 0.00 O ATOM 1174 CB VAL A 76 18.459 -1.631 90.883 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.368 -0.454 91.255 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.324 -2.812 90.411 1.00 0.00 C ATOM 0 H VAL A 76 16.632 -3.294 90.634 1.00 0.00 H new ATOM 0 HA VAL A 76 18.260 -2.640 92.779 1.00 0.00 H new ATOM 0 HB VAL A 76 17.787 -1.303 90.090 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.949 -0.153 90.383 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.758 0.384 91.592 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.044 -0.755 92.055 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.925 -2.504 89.556 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.981 -3.129 91.221 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.680 -3.642 90.121 1.00 0.00 H new ATOM 1186 N TYR A 77 16.348 -0.008 92.189 1.00 0.00 N ATOM 1187 CA TYR A 77 15.753 1.164 92.897 1.00 0.00 C ATOM 1188 C TYR A 77 14.499 0.727 93.672 1.00 0.00 C ATOM 1189 O TYR A 77 13.482 1.388 93.627 1.00 0.00 O ATOM 1190 CB TYR A 77 15.358 2.234 91.869 1.00 0.00 C ATOM 1191 CG TYR A 77 16.156 2.061 90.593 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.667 1.240 89.565 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.372 2.735 90.427 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.396 1.096 88.375 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.099 2.587 89.239 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.610 1.770 88.212 1.00 0.00 C ATOM 1197 OH TYR A 77 18.329 1.631 87.040 1.00 0.00 O ATOM 0 H TYR A 77 16.173 -0.045 91.185 1.00 0.00 H new ATOM 0 HA TYR A 77 16.487 1.569 93.593 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.292 2.162 91.651 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.533 3.227 92.283 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.729 0.719 89.690 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.750 3.369 91.215 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.019 0.464 87.584 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.039 3.104 89.115 1.00 0.00 H new ATOM 0 HH TYR A 77 18.434 2.508 86.614 1.00 0.00 H new ATOM 1207 N GLU A 78 14.550 -0.379 94.374 1.00 0.00 N ATOM 1208 CA GLU A 78 13.334 -0.828 95.128 1.00 0.00 C ATOM 1209 C GLU A 78 13.697 -1.217 96.559 1.00 0.00 C ATOM 1210 O GLU A 78 12.872 -1.174 97.450 1.00 0.00 O ATOM 1211 CB GLU A 78 12.726 -2.050 94.432 1.00 0.00 C ATOM 1212 CG GLU A 78 11.237 -2.156 94.781 1.00 0.00 C ATOM 1213 CD GLU A 78 11.062 -2.568 96.246 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.813 -3.415 96.702 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.171 -2.032 96.885 1.00 0.00 O ATOM 0 H GLU A 78 15.367 -0.984 94.458 1.00 0.00 H new ATOM 0 HA GLU A 78 12.621 -0.004 95.150 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.851 -1.965 93.353 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.248 -2.955 94.743 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.746 -1.199 94.604 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.755 -2.886 94.131 1.00 0.00 H new ATOM 1222 N GLY A 79 14.906 -1.639 96.792 1.00 0.00 N ATOM 1223 CA GLY A 79 15.282 -2.081 98.164 1.00 0.00 C ATOM 1224 C GLY A 79 15.094 -3.594 98.217 1.00 0.00 C ATOM 1225 O GLY A 79 15.372 -4.241 99.207 1.00 0.00 O ATOM 0 H GLY A 79 15.649 -1.698 96.096 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.315 -1.814 98.385 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.659 -1.589 98.911 1.00 0.00 H new ATOM 1229 N HIS A 80 14.642 -4.161 97.132 1.00 0.00 N ATOM 1230 CA HIS A 80 14.449 -5.628 97.076 1.00 0.00 C ATOM 1231 C HIS A 80 15.835 -6.241 96.980 1.00 0.00 C ATOM 1232 O HIS A 80 16.301 -6.890 97.891 1.00 0.00 O ATOM 1233 CB HIS A 80 13.642 -5.994 95.821 1.00 0.00 C ATOM 1234 CG HIS A 80 12.174 -6.084 96.148 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.698 -6.695 97.303 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.063 -5.651 95.474 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.354 -6.605 97.281 1.00 0.00 C ATOM 1238 NE2 HIS A 80 9.916 -5.977 96.190 1.00 0.00 N ATOM 0 H HIS A 80 14.397 -3.662 96.277 1.00 0.00 H new ATOM 0 HA HIS A 80 13.911 -5.991 97.952 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.803 -5.245 95.046 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.991 -6.946 95.421 1.00 0.00 H new ATOM 0 HD1 HIS A 80 12.262 -7.131 98.032 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.076 -5.133 94.526 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.709 -6.995 98.054 1.00 0.00 H new ATOM 1246 N VAL A 81 16.491 -6.002 95.878 1.00 0.00 N ATOM 1247 CA VAL A 81 17.865 -6.523 95.669 1.00 0.00 C ATOM 1248 C VAL A 81 18.026 -7.919 96.274 1.00 0.00 C ATOM 1249 O VAL A 81 19.105 -8.488 96.286 1.00 0.00 O ATOM 1250 CB VAL A 81 18.879 -5.504 96.212 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.169 -4.473 95.109 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.285 -4.770 97.425 1.00 0.00 C ATOM 0 H VAL A 81 16.122 -5.456 95.100 1.00 0.00 H new ATOM 0 HA VAL A 81 18.057 -6.645 94.603 1.00 0.00 H new ATOM 0 HB VAL A 81 19.791 -6.020 96.512 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.888 -3.740 95.476 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.581 -4.980 94.236 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.244 -3.967 94.832 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.009 -4.049 97.805 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.376 -4.248 97.125 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.048 -5.492 98.207 1.00 0.00 H new ATOM 1262 N SER A 82 16.942 -8.517 96.679 1.00 0.00 N ATOM 1263 CA SER A 82 16.991 -9.914 97.168 1.00 0.00 C ATOM 1264 C SER A 82 16.825 -10.764 95.918 1.00 0.00 C ATOM 1265 O SER A 82 17.279 -11.888 95.823 1.00 0.00 O ATOM 1266 CB SER A 82 15.844 -10.180 98.153 1.00 0.00 C ATOM 1267 OG SER A 82 16.314 -10.007 99.483 1.00 0.00 O ATOM 0 H SER A 82 16.016 -8.090 96.691 1.00 0.00 H new ATOM 0 HA SER A 82 17.917 -10.134 97.699 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.016 -9.499 97.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.462 -11.192 98.019 1.00 0.00 H new ATOM 0 HG SER A 82 15.582 -10.175 100.113 1.00 0.00 H new ATOM 1273 N CYS A 83 16.175 -10.176 94.941 1.00 0.00 N ATOM 1274 CA CYS A 83 15.944 -10.850 93.637 1.00 0.00 C ATOM 1275 C CYS A 83 17.201 -10.683 92.783 1.00 0.00 C ATOM 1276 O CYS A 83 17.700 -11.626 92.210 1.00 0.00 O ATOM 1277 CB CYS A 83 14.753 -10.187 92.938 1.00 0.00 C ATOM 1278 SG CYS A 83 14.794 -8.399 93.233 1.00 0.00 S ATOM 0 H CYS A 83 15.788 -9.234 95.002 1.00 0.00 H new ATOM 0 HA CYS A 83 15.731 -11.909 93.783 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.787 -10.390 91.868 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.819 -10.606 93.312 1.00 0.00 H new ATOM 0 HG CYS A 83 13.613 -7.897 93.023 1.00 0.00 H new ATOM 1284 N VAL A 84 17.731 -9.488 92.712 1.00 0.00 N ATOM 1285 CA VAL A 84 18.973 -9.274 91.912 1.00 0.00 C ATOM 1286 C VAL A 84 19.966 -10.385 92.246 1.00 0.00 C ATOM 1287 O VAL A 84 20.650 -10.906 91.392 1.00 0.00 O ATOM 1288 CB VAL A 84 19.615 -7.938 92.284 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.615 -6.796 92.098 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.072 -7.992 93.740 1.00 0.00 C ATOM 0 H VAL A 84 17.359 -8.656 93.171 1.00 0.00 H new ATOM 0 HA VAL A 84 18.720 -9.278 90.852 1.00 0.00 H new ATOM 0 HB VAL A 84 20.471 -7.758 91.634 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.087 -5.851 92.367 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.295 -6.758 91.057 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.748 -6.963 92.738 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.531 -7.042 94.013 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.213 -8.178 94.384 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.799 -8.795 93.864 1.00 0.00 H new ATOM 1300 N LYS A 85 20.052 -10.729 93.501 1.00 0.00 N ATOM 1301 CA LYS A 85 21.004 -11.783 93.935 1.00 0.00 C ATOM 1302 C LYS A 85 20.803 -13.072 93.112 1.00 0.00 C ATOM 1303 O LYS A 85 21.568 -13.367 92.210 1.00 0.00 O ATOM 1304 CB LYS A 85 20.776 -12.050 95.431 1.00 0.00 C ATOM 1305 CG LYS A 85 21.484 -10.970 96.271 1.00 0.00 C ATOM 1306 CD LYS A 85 21.881 -11.544 97.639 1.00 0.00 C ATOM 1307 CE LYS A 85 23.212 -12.298 97.523 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.725 -12.617 98.886 1.00 0.00 N ATOM 0 H LYS A 85 19.496 -10.318 94.251 1.00 0.00 H new ATOM 0 HA LYS A 85 22.028 -11.449 93.770 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.708 -12.052 95.650 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.157 -13.036 95.695 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.370 -10.613 95.746 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.825 -10.112 96.405 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.972 -10.739 98.368 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.103 -12.216 98.001 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.073 -13.216 96.951 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.939 -11.692 96.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.627 -13.128 98.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.872 -11.735 99.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.034 -13.211 99.387 1.00 0.00 H new ATOM 1322 N LEU A 86 19.799 -13.853 93.416 1.00 0.00 N ATOM 1323 CA LEU A 86 19.590 -15.122 92.643 1.00 0.00 C ATOM 1324 C LEU A 86 19.303 -14.821 91.167 1.00 0.00 C ATOM 1325 O LEU A 86 19.089 -15.716 90.376 1.00 0.00 O ATOM 1326 CB LEU A 86 18.456 -15.982 93.241 1.00 0.00 C ATOM 1327 CG LEU A 86 17.119 -15.227 93.368 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.233 -14.076 94.370 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.660 -14.683 92.010 1.00 0.00 C ATOM 0 H LEU A 86 19.120 -13.674 94.156 1.00 0.00 H new ATOM 0 HA LEU A 86 20.515 -15.695 92.714 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.310 -16.863 92.616 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.760 -16.337 94.226 1.00 0.00 H new ATOM 0 HG LEU A 86 16.377 -15.939 93.730 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.276 -13.559 94.441 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.506 -14.471 95.349 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.999 -13.377 94.035 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.714 -14.155 92.130 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.412 -13.997 91.620 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.528 -15.510 91.313 1.00 0.00 H new ATOM 1341 N LEU A 87 19.281 -13.572 90.786 1.00 0.00 N ATOM 1342 CA LEU A 87 18.985 -13.241 89.360 1.00 0.00 C ATOM 1343 C LEU A 87 20.192 -13.559 88.477 1.00 0.00 C ATOM 1344 O LEU A 87 20.175 -14.512 87.722 1.00 0.00 O ATOM 1345 CB LEU A 87 18.660 -11.750 89.239 1.00 0.00 C ATOM 1346 CG LEU A 87 17.291 -11.558 88.588 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.888 -10.088 88.692 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.358 -11.966 87.113 1.00 0.00 C ATOM 0 H LEU A 87 19.454 -12.771 91.394 1.00 0.00 H new ATOM 0 HA LEU A 87 18.134 -13.838 89.033 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.669 -11.287 90.226 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.426 -11.251 88.646 1.00 0.00 H new ATOM 0 HG LEU A 87 16.555 -12.179 89.099 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.912 -9.945 88.229 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.838 -9.798 89.741 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.626 -9.471 88.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.380 -11.828 86.652 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.093 -11.347 86.597 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.649 -13.014 87.038 1.00 0.00 H new ATOM 1360 N LEU A 88 21.238 -12.766 88.533 1.00 0.00 N ATOM 1361 CA LEU A 88 22.399 -13.058 87.652 1.00 0.00 C ATOM 1362 C LEU A 88 22.778 -14.523 87.801 1.00 0.00 C ATOM 1363 O LEU A 88 23.496 -15.079 86.994 1.00 0.00 O ATOM 1364 CB LEU A 88 23.602 -12.144 87.945 1.00 0.00 C ATOM 1365 CG LEU A 88 24.251 -12.432 89.307 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.188 -12.523 90.397 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.052 -13.743 89.250 1.00 0.00 C ATOM 0 H LEU A 88 21.332 -11.950 89.138 1.00 0.00 H new ATOM 0 HA LEU A 88 22.107 -12.856 86.622 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.347 -12.269 87.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.278 -11.104 87.915 1.00 0.00 H new ATOM 0 HG LEU A 88 24.928 -11.612 89.544 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.666 -12.727 91.355 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.646 -11.579 90.456 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.492 -13.327 90.160 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.506 -13.934 90.222 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.385 -14.566 88.993 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.833 -13.659 88.495 1.00 0.00 H new ATOM 1379 N SER A 89 22.260 -15.169 88.803 1.00 0.00 N ATOM 1380 CA SER A 89 22.549 -16.612 88.964 1.00 0.00 C ATOM 1381 C SER A 89 22.055 -17.320 87.701 1.00 0.00 C ATOM 1382 O SER A 89 22.495 -18.400 87.357 1.00 0.00 O ATOM 1383 CB SER A 89 21.808 -17.150 90.188 1.00 0.00 C ATOM 1384 OG SER A 89 22.473 -18.311 90.667 1.00 0.00 O ATOM 0 H SER A 89 21.652 -14.761 89.513 1.00 0.00 H new ATOM 0 HA SER A 89 23.616 -16.782 89.106 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.771 -16.390 90.968 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.777 -17.389 89.927 1.00 0.00 H new ATOM 0 HG SER A 89 22.001 -18.658 91.453 1.00 0.00 H new ATOM 1390 N LYS A 90 21.143 -16.694 86.998 1.00 0.00 N ATOM 1391 CA LYS A 90 20.608 -17.284 85.743 1.00 0.00 C ATOM 1392 C LYS A 90 21.284 -16.594 84.556 1.00 0.00 C ATOM 1393 O LYS A 90 21.220 -17.058 83.434 1.00 0.00 O ATOM 1394 CB LYS A 90 19.098 -17.024 85.676 1.00 0.00 C ATOM 1395 CG LYS A 90 18.320 -18.178 86.315 1.00 0.00 C ATOM 1396 CD LYS A 90 18.449 -18.140 87.844 1.00 0.00 C ATOM 1397 CE LYS A 90 17.465 -17.120 88.426 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.323 -17.345 89.892 1.00 0.00 N ATOM 0 H LYS A 90 20.745 -15.789 87.248 1.00 0.00 H new ATOM 0 HA LYS A 90 20.801 -18.356 85.717 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.862 -16.092 86.189 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.791 -16.903 84.637 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.269 -18.115 86.032 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.695 -19.129 85.937 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.250 -19.128 88.259 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.468 -17.876 88.125 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.820 -16.107 88.236 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.495 -17.215 87.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.515 -16.798 90.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.164 -18.357 90.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.191 -17.038 90.376 1.00 0.00 H new ATOM 1412 N GLY A 91 21.934 -15.486 84.804 1.00 0.00 N ATOM 1413 CA GLY A 91 22.624 -14.744 83.709 1.00 0.00 C ATOM 1414 C GLY A 91 22.229 -13.265 83.753 1.00 0.00 C ATOM 1415 O GLY A 91 22.809 -12.479 84.477 1.00 0.00 O ATOM 0 H GLY A 91 22.016 -15.061 85.727 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.704 -14.844 83.814 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.357 -15.172 82.743 1.00 0.00 H new ATOM 1419 N ALA A 92 21.242 -12.880 82.987 1.00 0.00 N ATOM 1420 CA ALA A 92 20.803 -11.453 82.985 1.00 0.00 C ATOM 1421 C ALA A 92 22.014 -10.529 82.906 1.00 0.00 C ATOM 1422 O ALA A 92 21.892 -9.336 83.103 1.00 0.00 O ATOM 1423 CB ALA A 92 20.051 -11.159 84.288 1.00 0.00 C ATOM 0 H ALA A 92 20.720 -13.494 82.361 1.00 0.00 H new ATOM 0 HA ALA A 92 20.159 -11.282 82.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.727 -10.118 84.294 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.180 -11.811 84.361 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.710 -11.339 85.137 1.00 0.00 H new ATOM 1429 N ASP A 93 23.178 -11.052 82.633 1.00 0.00 N ATOM 1430 CA ASP A 93 24.382 -10.172 82.575 1.00 0.00 C ATOM 1431 C ASP A 93 24.198 -9.045 83.590 1.00 0.00 C ATOM 1432 O ASP A 93 24.145 -9.276 84.782 1.00 0.00 O ATOM 1433 CB ASP A 93 24.543 -9.595 81.163 1.00 0.00 C ATOM 1434 CG ASP A 93 25.887 -8.872 81.053 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.171 -8.060 81.917 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.607 -9.140 80.104 1.00 0.00 O ATOM 0 H ASP A 93 23.348 -12.041 82.449 1.00 0.00 H new ATOM 0 HA ASP A 93 25.279 -10.744 82.812 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.487 -10.395 80.424 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.728 -8.904 80.947 1.00 0.00 H new ATOM 1441 N LYS A 94 24.079 -7.840 83.136 1.00 0.00 N ATOM 1442 CA LYS A 94 23.868 -6.715 84.077 1.00 0.00 C ATOM 1443 C LYS A 94 23.458 -5.490 83.267 1.00 0.00 C ATOM 1444 O LYS A 94 22.693 -4.659 83.709 1.00 0.00 O ATOM 1445 CB LYS A 94 25.153 -6.452 84.867 1.00 0.00 C ATOM 1446 CG LYS A 94 24.987 -5.205 85.736 1.00 0.00 C ATOM 1447 CD LYS A 94 23.880 -5.423 86.790 1.00 0.00 C ATOM 1448 CE LYS A 94 22.591 -4.694 86.373 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.839 -4.273 87.584 1.00 0.00 N ATOM 0 H LYS A 94 24.119 -7.582 82.150 1.00 0.00 H new ATOM 0 HA LYS A 94 23.082 -6.953 84.794 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.387 -7.313 85.493 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.990 -6.319 84.182 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.929 -4.973 86.232 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.737 -4.349 85.110 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.682 -6.489 86.904 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.215 -5.056 87.760 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.835 -3.824 85.764 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.973 -5.350 85.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.828 -4.195 87.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.970 -4.979 88.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.193 -3.350 87.909 1.00 0.00 H new ATOM 1463 N THR A 95 23.946 -5.393 82.065 1.00 0.00 N ATOM 1464 CA THR A 95 23.577 -4.249 81.192 1.00 0.00 C ATOM 1465 C THR A 95 23.070 -4.810 79.867 1.00 0.00 C ATOM 1466 O THR A 95 23.571 -4.489 78.808 1.00 0.00 O ATOM 1467 CB THR A 95 24.798 -3.361 80.947 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.932 -4.174 80.676 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.060 -2.509 82.189 1.00 0.00 C ATOM 0 H THR A 95 24.591 -6.064 81.646 1.00 0.00 H new ATOM 0 HA THR A 95 22.804 -3.646 81.669 1.00 0.00 H new ATOM 0 HB THR A 95 24.611 -2.711 80.093 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.713 -3.604 80.518 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.930 -1.875 82.018 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.190 -1.885 82.392 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.247 -3.159 83.043 1.00 0.00 H new ATOM 1477 N VAL A 96 22.086 -5.671 79.924 1.00 0.00 N ATOM 1478 CA VAL A 96 21.555 -6.282 78.677 1.00 0.00 C ATOM 1479 C VAL A 96 20.771 -5.245 77.873 1.00 0.00 C ATOM 1480 O VAL A 96 20.547 -5.419 76.691 1.00 0.00 O ATOM 1481 CB VAL A 96 20.605 -7.428 79.036 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.030 -8.033 77.755 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.358 -8.506 79.818 1.00 0.00 C ATOM 0 H VAL A 96 21.629 -5.975 80.784 1.00 0.00 H new ATOM 0 HA VAL A 96 22.393 -6.650 78.086 1.00 0.00 H new ATOM 0 HB VAL A 96 19.795 -7.041 79.653 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.354 -8.849 78.010 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.484 -7.267 77.204 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.842 -8.415 77.136 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.675 -9.317 80.069 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.174 -8.894 79.209 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.762 -8.075 80.734 1.00 0.00 H new ATOM 1493 N LYS A 97 20.345 -4.169 78.484 1.00 0.00 N ATOM 1494 CA LYS A 97 19.576 -3.160 77.700 1.00 0.00 C ATOM 1495 C LYS A 97 19.526 -1.795 78.410 1.00 0.00 C ATOM 1496 O LYS A 97 18.950 -0.859 77.892 1.00 0.00 O ATOM 1497 CB LYS A 97 18.151 -3.687 77.476 1.00 0.00 C ATOM 1498 CG LYS A 97 17.919 -3.912 75.978 1.00 0.00 C ATOM 1499 CD LYS A 97 16.663 -4.760 75.768 1.00 0.00 C ATOM 1500 CE LYS A 97 16.569 -5.192 74.299 1.00 0.00 C ATOM 1501 NZ LYS A 97 15.993 -4.083 73.484 1.00 0.00 N ATOM 0 H LYS A 97 20.492 -3.949 79.469 1.00 0.00 H new ATOM 0 HA LYS A 97 20.081 -3.009 76.746 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.007 -4.620 78.021 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.423 -2.975 77.865 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.811 -2.954 75.470 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.783 -4.410 75.538 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.693 -5.638 76.414 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.777 -4.190 76.047 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.558 -5.456 73.924 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.946 -6.082 74.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.664 -4.458 72.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.192 -3.658 73.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.721 -3.359 73.319 1.00 0.00 H new ATOM 1515 N GLY A 98 20.128 -1.644 79.565 1.00 0.00 N ATOM 1516 CA GLY A 98 20.091 -0.312 80.233 1.00 0.00 C ATOM 1517 C GLY A 98 21.068 0.614 79.512 1.00 0.00 C ATOM 1518 O GLY A 98 21.845 0.162 78.695 1.00 0.00 O ATOM 0 H GLY A 98 20.635 -2.374 80.065 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.083 0.101 80.201 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.363 -0.407 81.284 1.00 0.00 H new ATOM 1522 N PRO A 99 21.021 1.877 79.842 1.00 0.00 N ATOM 1523 CA PRO A 99 21.917 2.874 79.236 1.00 0.00 C ATOM 1524 C PRO A 99 23.319 2.283 79.087 1.00 0.00 C ATOM 1525 O PRO A 99 23.730 1.891 78.013 1.00 0.00 O ATOM 1526 CB PRO A 99 21.884 4.040 80.238 1.00 0.00 C ATOM 1527 CG PRO A 99 20.579 3.871 81.057 1.00 0.00 C ATOM 1528 CD PRO A 99 20.094 2.421 80.847 1.00 0.00 C ATOM 0 HA PRO A 99 21.620 3.191 78.236 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.758 4.018 80.889 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.897 4.999 79.720 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.760 4.067 82.114 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.822 4.582 80.726 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.131 1.850 81.775 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.063 2.392 80.496 1.00 0.00 H new ATOM 1536 N ASP A 100 24.041 2.200 80.159 1.00 0.00 N ATOM 1537 CA ASP A 100 25.404 1.620 80.100 1.00 0.00 C ATOM 1538 C ASP A 100 25.870 1.365 81.528 1.00 0.00 C ATOM 1539 O ASP A 100 25.361 0.499 82.216 1.00 0.00 O ATOM 1540 CB ASP A 100 26.356 2.596 79.401 1.00 0.00 C ATOM 1541 CG ASP A 100 27.751 1.972 79.311 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.887 0.816 79.675 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.660 2.662 78.878 1.00 0.00 O ATOM 0 H ASP A 100 23.744 2.512 81.084 1.00 0.00 H new ATOM 0 HA ASP A 100 25.396 0.687 79.536 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.986 2.830 78.403 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.401 3.535 79.953 1.00 0.00 H new ATOM 1548 N GLY A 101 26.820 2.121 81.987 1.00 0.00 N ATOM 1549 CA GLY A 101 27.303 1.929 83.370 1.00 0.00 C ATOM 1550 C GLY A 101 26.143 2.142 84.345 1.00 0.00 C ATOM 1551 O GLY A 101 26.293 1.971 85.545 1.00 0.00 O ATOM 0 H GLY A 101 27.282 2.864 81.462 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.713 0.926 83.488 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.109 2.630 83.587 1.00 0.00 H new ATOM 1555 N LEU A 102 24.965 2.485 83.864 1.00 0.00 N ATOM 1556 CA LEU A 102 23.847 2.674 84.830 1.00 0.00 C ATOM 1557 C LEU A 102 23.789 1.465 85.701 1.00 0.00 C ATOM 1558 O LEU A 102 24.225 1.502 86.833 1.00 0.00 O ATOM 1559 CB LEU A 102 22.484 2.849 84.152 1.00 0.00 C ATOM 1560 CG LEU A 102 21.461 3.394 85.178 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.078 3.527 84.539 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.347 2.449 86.384 1.00 0.00 C ATOM 0 H LEU A 102 24.741 2.636 82.880 1.00 0.00 H new ATOM 0 HA LEU A 102 24.044 3.587 85.392 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.571 3.535 83.310 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.140 1.895 83.752 1.00 0.00 H new ATOM 0 HG LEU A 102 21.814 4.372 85.506 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.372 3.911 85.275 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.132 4.214 83.695 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.743 2.550 84.191 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.623 2.850 87.093 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.018 1.466 86.046 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.319 2.359 86.869 1.00 0.00 H new ATOM 1574 N THR A 103 23.242 0.391 85.208 1.00 0.00 N ATOM 1575 CA THR A 103 23.148 -0.807 86.056 1.00 0.00 C ATOM 1576 C THR A 103 23.163 -0.343 87.514 1.00 0.00 C ATOM 1577 O THR A 103 22.293 0.393 87.958 1.00 0.00 O ATOM 1578 CB THR A 103 24.347 -1.720 85.780 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.489 -2.654 86.842 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.623 -0.888 85.661 1.00 0.00 C ATOM 0 H THR A 103 22.863 0.299 84.266 1.00 0.00 H new ATOM 0 HA THR A 103 22.235 -1.364 85.847 1.00 0.00 H new ATOM 0 HB THR A 103 24.179 -2.253 84.844 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.432 -2.906 86.932 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.469 -1.546 85.465 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.519 -0.177 84.841 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.792 -0.347 86.592 1.00 0.00 H new ATOM 1588 N ALA A 104 24.134 -0.751 88.261 1.00 0.00 N ATOM 1589 CA ALA A 104 24.191 -0.337 89.693 1.00 0.00 C ATOM 1590 C ALA A 104 25.042 0.939 89.886 1.00 0.00 C ATOM 1591 O ALA A 104 24.847 1.670 90.835 1.00 0.00 O ATOM 1592 CB ALA A 104 24.783 -1.488 90.512 1.00 0.00 C ATOM 0 H ALA A 104 24.896 -1.354 87.951 1.00 0.00 H new ATOM 0 HA ALA A 104 23.180 -0.108 90.031 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.831 -1.200 91.562 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.153 -2.371 90.406 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.787 -1.713 90.151 1.00 0.00 H new ATOM 1598 N LEU A 105 26.001 1.196 89.027 1.00 0.00 N ATOM 1599 CA LEU A 105 26.879 2.386 89.218 1.00 0.00 C ATOM 1600 C LEU A 105 26.096 3.697 89.317 1.00 0.00 C ATOM 1601 O LEU A 105 26.105 4.360 90.337 1.00 0.00 O ATOM 1602 CB LEU A 105 27.836 2.523 88.038 1.00 0.00 C ATOM 1603 CG LEU A 105 28.397 1.167 87.611 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.431 1.395 86.507 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.063 0.470 88.804 1.00 0.00 C ATOM 0 H LEU A 105 26.210 0.631 88.204 1.00 0.00 H new ATOM 0 HA LEU A 105 27.409 2.220 90.156 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.316 2.983 87.198 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.656 3.188 88.309 1.00 0.00 H new ATOM 0 HG LEU A 105 27.588 0.534 87.246 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.842 0.437 86.190 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.954 1.884 85.658 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.234 2.027 86.886 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.459 -0.495 88.487 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.877 1.090 89.180 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.327 0.319 89.594 1.00 0.00 H new ATOM 1617 N GLU A 106 25.473 4.107 88.250 1.00 0.00 N ATOM 1618 CA GLU A 106 24.756 5.407 88.265 1.00 0.00 C ATOM 1619 C GLU A 106 23.378 5.253 88.923 1.00 0.00 C ATOM 1620 O GLU A 106 22.637 6.210 89.059 1.00 0.00 O ATOM 1621 CB GLU A 106 24.625 5.906 86.809 1.00 0.00 C ATOM 1622 CG GLU A 106 23.178 6.249 86.464 1.00 0.00 C ATOM 1623 CD GLU A 106 23.070 6.473 84.957 1.00 0.00 C ATOM 1624 OE1 GLU A 106 24.106 6.620 84.328 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.959 6.489 84.456 1.00 0.00 O ATOM 0 H GLU A 106 25.430 3.597 87.368 1.00 0.00 H new ATOM 0 HA GLU A 106 25.315 6.137 88.851 1.00 0.00 H new ATOM 0 HB2 GLU A 106 25.253 6.786 86.667 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.991 5.139 86.126 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.515 5.441 86.774 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.864 7.144 87.002 1.00 0.00 H new ATOM 1632 N ALA A 107 23.020 4.062 89.322 1.00 0.00 N ATOM 1633 CA ALA A 107 21.680 3.868 89.954 1.00 0.00 C ATOM 1634 C ALA A 107 21.612 4.430 91.388 1.00 0.00 C ATOM 1635 O ALA A 107 20.649 5.087 91.735 1.00 0.00 O ATOM 1636 CB ALA A 107 21.352 2.378 90.020 1.00 0.00 C ATOM 0 H ALA A 107 23.591 3.221 89.239 1.00 0.00 H new ATOM 0 HA ALA A 107 20.963 4.409 89.336 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.374 2.241 90.482 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.339 1.963 89.012 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.109 1.865 90.614 1.00 0.00 H new ATOM 1642 N THR A 108 22.554 4.151 92.258 1.00 0.00 N ATOM 1643 CA THR A 108 22.390 4.670 93.652 1.00 0.00 C ATOM 1644 C THR A 108 23.716 4.796 94.408 1.00 0.00 C ATOM 1645 O THR A 108 24.766 5.046 93.848 1.00 0.00 O ATOM 1646 CB THR A 108 21.521 3.675 94.409 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.252 4.169 95.715 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.272 2.347 94.506 1.00 0.00 C ATOM 0 H THR A 108 23.398 3.608 92.074 1.00 0.00 H new ATOM 0 HA THR A 108 21.951 5.666 93.588 1.00 0.00 H new ATOM 0 HB THR A 108 20.576 3.532 93.884 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.691 3.527 96.199 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.662 1.623 95.046 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.478 1.972 93.504 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.212 2.498 95.037 1.00 0.00 H new ATOM 1656 N ASP A 109 23.642 4.616 95.708 1.00 0.00 N ATOM 1657 CA ASP A 109 24.847 4.698 96.570 1.00 0.00 C ATOM 1658 C ASP A 109 24.712 3.707 97.731 1.00 0.00 C ATOM 1659 O ASP A 109 25.630 3.533 98.508 1.00 0.00 O ATOM 1660 CB ASP A 109 25.015 6.115 97.125 1.00 0.00 C ATOM 1661 CG ASP A 109 26.432 6.271 97.684 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.365 5.918 96.984 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.559 6.737 98.805 1.00 0.00 O ATOM 0 H ASP A 109 22.777 4.412 96.208 1.00 0.00 H new ATOM 0 HA ASP A 109 25.724 4.450 95.972 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.838 6.850 96.339 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.280 6.302 97.908 1.00 0.00 H new ATOM 1668 N ASN A 110 23.598 3.015 97.843 1.00 0.00 N ATOM 1669 CA ASN A 110 23.483 2.011 98.944 1.00 0.00 C ATOM 1670 C ASN A 110 24.302 0.801 98.499 1.00 0.00 C ATOM 1671 O ASN A 110 24.352 0.474 97.333 1.00 0.00 O ATOM 1672 CB ASN A 110 22.017 1.626 99.216 1.00 0.00 C ATOM 1673 CG ASN A 110 21.461 0.832 98.047 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.063 0.905 96.906 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.471 0.139 98.176 1.00 0.00 N flip ATOM 0 H ASN A 110 22.784 3.101 97.234 1.00 0.00 H new ATOM 0 HA ASN A 110 23.857 2.419 99.883 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.951 1.036 100.130 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.420 2.524 99.372 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.000 0.085 99.079 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.111 -0.389 97.381 1.00 0.00 H new ATOM 1682 N GLN A 111 25.012 0.192 99.397 1.00 0.00 N ATOM 1683 CA GLN A 111 25.910 -0.935 99.007 1.00 0.00 C ATOM 1684 C GLN A 111 25.151 -2.241 98.673 1.00 0.00 C ATOM 1685 O GLN A 111 25.760 -3.265 98.442 1.00 0.00 O ATOM 1686 CB GLN A 111 26.913 -1.144 100.145 1.00 0.00 C ATOM 1687 CG GLN A 111 27.699 -2.438 99.948 1.00 0.00 C ATOM 1688 CD GLN A 111 29.009 -2.341 100.734 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.221 -3.079 101.673 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.897 -1.442 100.395 1.00 0.00 N ATOM 0 H GLN A 111 25.014 0.423 100.391 1.00 0.00 H new ATOM 0 HA GLN A 111 26.423 -0.670 98.082 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.601 -0.299 100.189 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.386 -1.176 101.099 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.114 -3.291 100.292 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.904 -2.598 98.890 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.719 -0.821 99.605 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.768 -1.362 100.920 1.00 0.00 H new ATOM 1699 N ALA A 112 23.844 -2.228 98.602 1.00 0.00 N ATOM 1700 CA ALA A 112 23.114 -3.490 98.247 1.00 0.00 C ATOM 1701 C ALA A 112 23.051 -3.599 96.722 1.00 0.00 C ATOM 1702 O ALA A 112 23.325 -4.628 96.118 1.00 0.00 O ATOM 1703 CB ALA A 112 21.693 -3.439 98.814 1.00 0.00 C ATOM 0 H ALA A 112 23.255 -1.413 98.771 1.00 0.00 H new ATOM 0 HA ALA A 112 23.633 -4.353 98.665 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.165 -4.357 98.555 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.737 -3.340 99.899 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.164 -2.584 98.393 1.00 0.00 H new ATOM 1709 N ILE A 113 22.730 -2.512 96.112 1.00 0.00 N ATOM 1710 CA ILE A 113 22.662 -2.440 94.629 1.00 0.00 C ATOM 1711 C ILE A 113 24.074 -2.589 94.102 1.00 0.00 C ATOM 1712 O ILE A 113 24.373 -3.411 93.253 1.00 0.00 O ATOM 1713 CB ILE A 113 22.164 -1.039 94.268 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.638 -1.001 94.217 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.738 -0.604 92.919 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.063 -0.880 95.628 1.00 0.00 C ATOM 0 H ILE A 113 22.503 -1.638 96.587 1.00 0.00 H new ATOM 0 HA ILE A 113 22.009 -3.209 94.215 1.00 0.00 H new ATOM 0 HB ILE A 113 22.503 -0.349 95.041 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.309 -0.158 93.609 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.261 -1.905 93.739 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.376 0.394 92.674 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.827 -0.592 92.974 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.421 -1.304 92.146 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.975 -0.854 95.576 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.378 -1.737 96.224 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.426 0.037 96.091 1.00 0.00 H new ATOM 1728 N LYS A 114 24.941 -1.782 94.617 1.00 0.00 N ATOM 1729 CA LYS A 114 26.346 -1.832 94.189 1.00 0.00 C ATOM 1730 C LYS A 114 26.842 -3.260 94.377 1.00 0.00 C ATOM 1731 O LYS A 114 27.882 -3.644 93.879 1.00 0.00 O ATOM 1732 CB LYS A 114 27.155 -0.837 95.028 1.00 0.00 C ATOM 1733 CG LYS A 114 26.423 0.518 95.055 1.00 0.00 C ATOM 1734 CD LYS A 114 26.531 1.201 93.687 1.00 0.00 C ATOM 1735 CE LYS A 114 26.003 2.634 93.790 1.00 0.00 C ATOM 1736 NZ LYS A 114 25.768 3.192 92.425 1.00 0.00 N ATOM 0 H LYS A 114 24.730 -1.080 95.327 1.00 0.00 H new ATOM 0 HA LYS A 114 26.458 -1.555 93.141 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.280 -1.216 96.042 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.153 -0.716 94.607 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.375 0.369 95.314 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.854 1.158 95.825 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.568 1.207 93.352 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.960 0.644 92.944 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.075 2.648 94.362 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.719 3.256 94.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.240 4.085 92.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 26.681 3.369 91.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 25.219 2.512 91.862 1.00 0.00 H new ATOM 1750 N ALA A 115 26.077 -4.066 95.070 1.00 0.00 N ATOM 1751 CA ALA A 115 26.480 -5.478 95.260 1.00 0.00 C ATOM 1752 C ALA A 115 26.504 -6.147 93.893 1.00 0.00 C ATOM 1753 O ALA A 115 27.384 -6.924 93.592 1.00 0.00 O ATOM 1754 CB ALA A 115 25.489 -6.202 96.174 1.00 0.00 C ATOM 0 H ALA A 115 25.195 -3.801 95.508 1.00 0.00 H new ATOM 0 HA ALA A 115 27.464 -5.523 95.727 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.802 -7.238 96.302 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.463 -5.709 97.146 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.495 -6.176 95.727 1.00 0.00 H new ATOM 1760 N LEU A 116 25.543 -5.853 93.050 1.00 0.00 N ATOM 1761 CA LEU A 116 25.550 -6.486 91.699 1.00 0.00 C ATOM 1762 C LEU A 116 26.698 -5.892 90.872 1.00 0.00 C ATOM 1763 O LEU A 116 27.151 -6.490 89.919 1.00 0.00 O ATOM 1764 CB LEU A 116 24.224 -6.219 90.963 1.00 0.00 C ATOM 1765 CG LEU A 116 23.306 -7.459 90.952 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.222 -7.265 89.891 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.086 -8.741 90.620 1.00 0.00 C ATOM 0 H LEU A 116 24.769 -5.215 93.236 1.00 0.00 H new ATOM 0 HA LEU A 116 25.679 -7.562 91.821 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.705 -5.389 91.442 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.434 -5.915 89.938 1.00 0.00 H new ATOM 0 HG LEU A 116 22.872 -7.565 91.946 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.568 -8.137 89.876 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.637 -6.376 90.127 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.688 -7.144 88.913 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.405 -9.592 90.622 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.543 -8.644 89.635 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.864 -8.897 91.367 1.00 0.00 H new ATOM 1779 N LEU A 117 27.184 -4.729 91.232 1.00 0.00 N ATOM 1780 CA LEU A 117 28.311 -4.137 90.453 1.00 0.00 C ATOM 1781 C LEU A 117 29.584 -4.865 90.874 1.00 0.00 C ATOM 1782 O LEU A 117 30.688 -4.512 90.520 1.00 0.00 O ATOM 1783 CB LEU A 117 28.374 -2.610 90.695 1.00 0.00 C ATOM 1784 CG LEU A 117 29.593 -2.175 91.533 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.853 -2.078 90.651 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.312 -0.785 92.118 1.00 0.00 C ATOM 0 H LEU A 117 26.854 -4.172 92.020 1.00 0.00 H new ATOM 0 HA LEU A 117 28.176 -4.264 89.379 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.401 -2.098 89.733 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.462 -2.291 91.200 1.00 0.00 H new ATOM 0 HG LEU A 117 29.760 -2.911 92.320 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.702 -1.770 91.262 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.061 -3.051 90.205 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.689 -1.345 89.861 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.165 -0.462 92.714 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.147 -0.076 91.307 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.424 -0.828 92.749 1.00 0.00 H new ATOM 1798 N GLN A 118 29.399 -5.925 91.605 1.00 0.00 N ATOM 1799 CA GLN A 118 30.548 -6.759 92.057 1.00 0.00 C ATOM 1800 C GLN A 118 31.265 -7.325 90.828 1.00 0.00 C ATOM 1801 O GLN A 118 30.589 -7.895 89.989 1.00 0.00 O ATOM 1802 CB GLN A 118 30.016 -7.937 92.881 1.00 0.00 C ATOM 1803 CG GLN A 118 30.090 -7.622 94.373 1.00 0.00 C ATOM 1804 CD GLN A 118 29.370 -8.717 95.166 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.969 -9.375 95.992 1.00 0.00 O ATOM 1806 NE2 GLN A 118 28.102 -8.942 94.947 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.474 -7.185 90.752 1.00 0.00 O ATOM 0 H GLN A 118 28.485 -6.256 91.915 1.00 0.00 H new ATOM 0 HA GLN A 118 31.230 -6.152 92.653 1.00 0.00 H new ATOM 0 HB2 GLN A 118 28.985 -8.150 92.599 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.597 -8.833 92.663 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.131 -7.555 94.689 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.632 -6.653 94.574 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.598 -8.389 94.253 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.616 -9.670 95.470 1.00 0.00 H new