USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 811 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 17 HIS : no HE2:sc= 0.163 K(o=0.6,f=-0.079) USER MOD Set 1.2: A 84 TYR OH : rot -83:sc= 0.432 USER MOD Single : A 5 ASN : amide:sc= -3.1! C(o=-3.1!,f=-8.8!) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00428 USER MOD Single : A 8 SER OG : rot -170:sc= -0.664 USER MOD Single : A 11 TYR OH : rot -166:sc= 0.292 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 0.85 (180deg=0.811) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= 0.661 (180deg=0.233) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= -0.0251 (180deg=-0.506) USER MOD Single : A 33 MET CE :methyl 141:sc= -0.793 (180deg=-1.48) USER MOD Single : A 48 GLN : amide:sc= 1.17 K(o=1.2,f=-0.8) USER MOD Single : A 53 MET CE :methyl 165:sc= -0.125 (180deg=-0.59) USER MOD Single : A 54 GLN : amide:sc= -0.727! C(o=-0.73!,f=-2.3!) USER MOD Single : A 68 MET CE :methyl 147:sc= -3.4! (180deg=-6.89!) USER MOD Single : A 72 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.58) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.11) USER MOD Single : A 78 CYS SG : rot 73:sc= 1.11 USER MOD Single : A 88 THR OG1 : rot 25:sc= -1.68! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.276 K(o=0.28,f=-4.8!) USER MOD Single : A 103 MET CE :methyl -141:sc= -0.0969 (180deg=-2.57!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -0.474 -2.876 15.157 1.00 0.00 N ATOM 54 CA ASN A 5 -1.444 -2.537 14.121 1.00 0.00 C ATOM 55 C ASN A 5 -0.748 -1.767 13.008 1.00 0.00 C ATOM 56 O ASN A 5 -1.385 -1.082 12.202 1.00 0.00 O ATOM 57 CB ASN A 5 -2.587 -1.700 14.701 1.00 0.00 C ATOM 58 CG ASN A 5 -3.827 -1.718 13.826 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.086 -2.684 13.107 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.608 -0.651 13.890 1.00 0.00 N ATOM 0 HA ASN A 5 -1.866 -3.458 13.719 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.841 -2.076 15.692 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.251 -0.671 14.827 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.460 -0.608 13.331 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.358 0.128 14.498 1.00 0.00 H new ATOM 67 N SER A 6 0.572 -1.888 12.976 1.00 0.00 N ATOM 68 CA SER A 6 1.388 -1.209 11.985 1.00 0.00 C ATOM 69 C SER A 6 1.085 -1.739 10.588 1.00 0.00 C ATOM 70 O SER A 6 0.829 -2.934 10.409 1.00 0.00 O ATOM 71 CB SER A 6 2.867 -1.415 12.306 1.00 0.00 C ATOM 72 OG SER A 6 3.113 -1.240 13.690 1.00 0.00 O ATOM 0 H SER A 6 1.103 -2.458 13.634 1.00 0.00 H new ATOM 0 HA SER A 6 1.155 -0.144 12.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.173 -2.416 12.002 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.469 -0.710 11.733 1.00 0.00 H new ATOM 0 HG SER A 6 4.066 -1.378 13.873 1.00 0.00 H new ATOM 78 N PHE A 7 1.117 -0.846 9.607 1.00 0.00 N ATOM 79 CA PHE A 7 0.856 -1.216 8.224 1.00 0.00 C ATOM 80 C PHE A 7 1.824 -2.305 7.772 1.00 0.00 C ATOM 81 O PHE A 7 1.425 -3.261 7.113 1.00 0.00 O ATOM 82 CB PHE A 7 0.975 0.011 7.316 1.00 0.00 C ATOM 83 CG PHE A 7 0.468 -0.207 5.917 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.865 0.014 5.607 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.324 -0.625 4.912 1.00 0.00 C ATOM 86 CE1 PHE A 7 -1.334 -0.176 4.321 1.00 0.00 C ATOM 87 CE2 PHE A 7 0.859 -0.819 3.626 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.470 -0.593 3.329 1.00 0.00 C ATOM 0 H PHE A 7 1.322 0.143 9.746 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.160 -1.605 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.424 0.837 7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.021 0.314 7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.546 0.339 6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.366 -0.801 5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.375 0.002 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.536 -1.148 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.833 -0.742 2.323 1.00 0.00 H new ATOM 98 N SER A 8 3.093 -2.165 8.154 1.00 0.00 N ATOM 99 CA SER A 8 4.122 -3.135 7.794 1.00 0.00 C ATOM 100 C SER A 8 3.787 -4.534 8.318 1.00 0.00 C ATOM 101 O SER A 8 4.061 -5.531 7.649 1.00 0.00 O ATOM 102 CB SER A 8 5.482 -2.687 8.336 1.00 0.00 C ATOM 103 OG SER A 8 6.506 -3.595 7.970 1.00 0.00 O ATOM 0 H SER A 8 3.432 -1.384 8.716 1.00 0.00 H new ATOM 0 HA SER A 8 4.163 -3.185 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.719 -1.694 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.435 -2.607 9.422 1.00 0.00 H new ATOM 0 HG SER A 8 7.328 -3.374 8.456 1.00 0.00 H new ATOM 109 N ALA A 9 3.189 -4.602 9.501 1.00 0.00 N ATOM 110 CA ALA A 9 2.867 -5.882 10.117 1.00 0.00 C ATOM 111 C ALA A 9 1.796 -6.612 9.320 1.00 0.00 C ATOM 112 O ALA A 9 1.962 -7.778 8.953 1.00 0.00 O ATOM 113 CB ALA A 9 2.413 -5.677 11.552 1.00 0.00 C ATOM 0 H ALA A 9 2.918 -3.787 10.052 1.00 0.00 H new ATOM 0 HA ALA A 9 3.767 -6.497 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.176 -6.642 12.000 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.210 -5.199 12.121 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.527 -5.043 11.566 1.00 0.00 H new ATOM 119 N ILE A 10 0.707 -5.911 9.039 1.00 0.00 N ATOM 120 CA ILE A 10 -0.386 -6.479 8.264 1.00 0.00 C ATOM 121 C ILE A 10 0.061 -6.723 6.822 1.00 0.00 C ATOM 122 O ILE A 10 -0.356 -7.689 6.188 1.00 0.00 O ATOM 123 CB ILE A 10 -1.632 -5.562 8.293 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.075 -5.335 9.744 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.768 -6.167 7.475 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.268 -4.414 9.886 1.00 0.00 C ATOM 0 H ILE A 10 0.557 -4.947 9.337 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.661 -7.431 8.717 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.371 -4.602 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.316 -6.298 10.194 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.239 -4.920 10.308 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.634 -5.505 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.446 -6.290 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.037 -7.139 7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.519 -4.304 10.941 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.026 -3.437 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.119 -4.836 9.352 1.00 0.00 H new ATOM 138 N TYR A 11 0.935 -5.853 6.329 1.00 0.00 N ATOM 139 CA TYR A 11 1.523 -6.008 5.004 1.00 0.00 C ATOM 140 C TYR A 11 2.280 -7.328 4.889 1.00 0.00 C ATOM 141 O TYR A 11 2.100 -8.058 3.922 1.00 0.00 O ATOM 142 CB TYR A 11 2.447 -4.821 4.699 1.00 0.00 C ATOM 143 CG TYR A 11 3.449 -5.061 3.588 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.060 -5.572 2.355 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.794 -4.772 3.783 1.00 0.00 C ATOM 146 CE1 TYR A 11 3.985 -5.790 1.350 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.721 -4.983 2.783 1.00 0.00 C ATOM 148 CZ TYR A 11 5.313 -5.492 1.569 1.00 0.00 C ATOM 149 OH TYR A 11 6.236 -5.699 0.569 1.00 0.00 O ATOM 0 H TYR A 11 1.254 -5.026 6.833 1.00 0.00 H new ATOM 0 HA TYR A 11 0.718 -6.025 4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.833 -3.960 4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.990 -4.559 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.020 -5.802 2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.119 -4.375 4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.669 -6.192 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.762 -4.750 2.951 1.00 0.00 H new ATOM 0 HH TYR A 11 7.140 -5.659 0.945 1.00 0.00 H new ATOM 159 N LYS A 12 3.112 -7.646 5.875 1.00 0.00 N ATOM 160 CA LYS A 12 3.886 -8.881 5.824 1.00 0.00 C ATOM 161 C LYS A 12 2.969 -10.099 5.921 1.00 0.00 C ATOM 162 O LYS A 12 3.210 -11.118 5.274 1.00 0.00 O ATOM 163 CB LYS A 12 4.951 -8.920 6.924 1.00 0.00 C ATOM 164 CG LYS A 12 5.852 -10.144 6.826 1.00 0.00 C ATOM 165 CD LYS A 12 7.034 -10.060 7.773 1.00 0.00 C ATOM 166 CE LYS A 12 7.875 -11.325 7.705 1.00 0.00 C ATOM 167 NZ LYS A 12 9.099 -11.228 8.539 1.00 0.00 N ATOM 0 H LYS A 12 3.267 -7.076 6.707 1.00 0.00 H new ATOM 0 HA LYS A 12 4.399 -8.909 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.561 -8.019 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.462 -8.911 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.272 -11.039 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.214 -10.246 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.648 -9.196 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.678 -9.909 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.278 -12.175 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.157 -11.517 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.642 -12.112 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.683 -10.433 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.831 -11.071 9.532 1.00 0.00 H new ATOM 181 N GLU A 13 1.912 -9.985 6.720 1.00 0.00 N ATOM 182 CA GLU A 13 0.899 -11.036 6.791 1.00 0.00 C ATOM 183 C GLU A 13 0.241 -11.216 5.430 1.00 0.00 C ATOM 184 O GLU A 13 0.192 -12.323 4.891 1.00 0.00 O ATOM 185 CB GLU A 13 -0.158 -10.694 7.840 1.00 0.00 C ATOM 186 CG GLU A 13 0.314 -10.899 9.266 1.00 0.00 C ATOM 187 CD GLU A 13 0.540 -12.361 9.592 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.447 -13.064 9.898 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.704 -12.812 9.549 1.00 0.00 O ATOM 0 H GLU A 13 1.734 -9.182 7.324 1.00 0.00 H new ATOM 0 HA GLU A 13 1.386 -11.968 7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.462 -9.655 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.042 -11.308 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.241 -10.347 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.424 -10.485 9.954 1.00 0.00 H new ATOM 196 N TRP A 14 -0.246 -10.110 4.880 1.00 0.00 N ATOM 197 CA TRP A 14 -0.849 -10.093 3.554 1.00 0.00 C ATOM 198 C TRP A 14 0.114 -10.678 2.526 1.00 0.00 C ATOM 199 O TRP A 14 -0.268 -11.519 1.709 1.00 0.00 O ATOM 200 CB TRP A 14 -1.224 -8.651 3.184 1.00 0.00 C ATOM 201 CG TRP A 14 -1.584 -8.459 1.744 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.770 -8.768 1.146 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.748 -7.907 0.720 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.718 -8.445 -0.187 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.490 -7.917 -0.473 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.556 -7.409 0.696 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -0.975 -7.447 -1.677 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.069 -6.943 -0.499 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.304 -6.964 -1.673 1.00 0.00 C ATOM 0 H TRP A 14 -0.234 -9.200 5.341 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.751 -10.705 3.559 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.065 -8.337 3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.387 -7.996 3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.623 -9.202 1.647 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.475 -8.578 -0.857 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.153 -7.388 1.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.564 -7.463 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.077 -6.556 -0.529 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.733 -6.592 -2.592 1.00 0.00 H new ATOM 220 N TYR A 15 1.363 -10.236 2.596 1.00 0.00 N ATOM 221 CA TYR A 15 2.404 -10.714 1.707 1.00 0.00 C ATOM 222 C TYR A 15 2.544 -12.225 1.795 1.00 0.00 C ATOM 223 O TYR A 15 2.426 -12.908 0.790 1.00 0.00 O ATOM 224 CB TYR A 15 3.744 -10.043 2.025 1.00 0.00 C ATOM 225 CG TYR A 15 4.904 -10.628 1.253 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.925 -10.592 -0.134 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.973 -11.225 1.913 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.975 -11.136 -0.843 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.030 -11.768 1.208 1.00 0.00 C ATOM 230 CZ TYR A 15 7.026 -11.722 -0.170 1.00 0.00 C ATOM 231 OH TYR A 15 8.074 -12.264 -0.879 1.00 0.00 O ATOM 0 H TYR A 15 1.678 -9.538 3.270 1.00 0.00 H new ATOM 0 HA TYR A 15 2.116 -10.452 0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.670 -8.978 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.944 -10.135 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.106 -10.131 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.977 -11.265 2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.974 -11.103 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.855 -12.226 1.734 1.00 0.00 H new ATOM 0 HH TYR A 15 8.733 -12.636 -0.256 1.00 0.00 H new ATOM 241 N GLU A 16 2.763 -12.740 3.003 1.00 0.00 N ATOM 242 CA GLU A 16 2.994 -14.170 3.203 1.00 0.00 C ATOM 243 C GLU A 16 1.811 -14.998 2.696 1.00 0.00 C ATOM 244 O GLU A 16 1.982 -16.129 2.243 1.00 0.00 O ATOM 245 CB GLU A 16 3.257 -14.463 4.686 1.00 0.00 C ATOM 246 CG GLU A 16 3.683 -15.900 4.972 1.00 0.00 C ATOM 247 CD GLU A 16 4.961 -16.298 4.253 1.00 0.00 C ATOM 248 OE1 GLU A 16 6.005 -15.660 4.488 1.00 0.00 O ATOM 249 OE2 GLU A 16 4.928 -17.270 3.465 1.00 0.00 O ATOM 0 H GLU A 16 2.785 -12.187 3.860 1.00 0.00 H new ATOM 0 HA GLU A 16 3.874 -14.455 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.032 -13.787 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.353 -14.244 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.824 -16.024 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.881 -16.576 4.676 1.00 0.00 H new ATOM 256 N HIS A 17 0.613 -14.427 2.756 1.00 0.00 N ATOM 257 CA HIS A 17 -0.575 -15.117 2.266 1.00 0.00 C ATOM 258 C HIS A 17 -0.566 -15.190 0.741 1.00 0.00 C ATOM 259 O HIS A 17 -0.689 -16.270 0.161 1.00 0.00 O ATOM 260 CB HIS A 17 -1.860 -14.435 2.751 1.00 0.00 C ATOM 261 CG HIS A 17 -2.078 -14.524 4.233 1.00 0.00 C ATOM 262 ND1 HIS A 17 -1.865 -15.677 4.957 1.00 0.00 N ATOM 263 CD2 HIS A 17 -2.474 -13.589 5.130 1.00 0.00 C ATOM 264 CE1 HIS A 17 -2.117 -15.449 6.232 1.00 0.00 C ATOM 265 NE2 HIS A 17 -2.487 -14.190 6.364 1.00 0.00 N ATOM 0 H HIS A 17 0.439 -13.496 3.136 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.555 -16.129 2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.833 -13.385 2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.712 -14.885 2.241 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.560 -16.569 4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.731 -12.563 4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.034 -16.171 7.031 1.00 0.00 H new ATOM 274 N LYS A 18 -0.388 -14.043 0.093 1.00 0.00 N ATOM 275 CA LYS A 18 -0.421 -13.974 -1.368 1.00 0.00 C ATOM 276 C LYS A 18 0.888 -14.493 -1.966 1.00 0.00 C ATOM 277 O LYS A 18 0.982 -14.750 -3.167 1.00 0.00 O ATOM 278 CB LYS A 18 -0.698 -12.536 -1.825 1.00 0.00 C ATOM 279 CG LYS A 18 -1.995 -11.966 -1.263 1.00 0.00 C ATOM 280 CD LYS A 18 -3.206 -12.774 -1.709 1.00 0.00 C ATOM 281 CE LYS A 18 -3.694 -12.356 -3.087 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.550 -11.138 -3.032 1.00 0.00 N ATOM 0 H LYS A 18 -0.220 -13.149 0.554 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.229 -14.612 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.133 -11.899 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.739 -12.509 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.946 -11.955 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.108 -10.932 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.950 -13.834 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.012 -12.649 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.837 -12.167 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.257 -13.174 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.665 -10.751 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.483 -11.386 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.101 -10.425 -2.422 1.00 0.00 H new ATOM 296 N LYS A 19 1.881 -14.660 -1.105 1.00 0.00 N ATOM 297 CA LYS A 19 3.178 -15.221 -1.473 1.00 0.00 C ATOM 298 C LYS A 19 3.033 -16.693 -1.857 1.00 0.00 C ATOM 299 O LYS A 19 3.870 -17.256 -2.565 1.00 0.00 O ATOM 300 CB LYS A 19 4.141 -15.037 -0.290 1.00 0.00 C ATOM 301 CG LYS A 19 5.467 -15.769 -0.393 1.00 0.00 C ATOM 302 CD LYS A 19 6.395 -15.344 0.735 1.00 0.00 C ATOM 303 CE LYS A 19 7.558 -16.304 0.909 1.00 0.00 C ATOM 304 NZ LYS A 19 7.121 -17.608 1.473 1.00 0.00 N ATOM 0 H LYS A 19 1.811 -14.408 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 19 3.580 -14.702 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.344 -13.972 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.636 -15.366 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.300 -16.845 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.933 -15.557 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.778 -14.344 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.831 -15.286 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.040 -16.469 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.303 -15.856 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.928 -18.075 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.368 -17.449 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.760 -18.214 0.708 1.00 0.00 H new ATOM 318 N GLN A 20 1.951 -17.307 -1.404 1.00 0.00 N ATOM 319 CA GLN A 20 1.647 -18.681 -1.768 1.00 0.00 C ATOM 320 C GLN A 20 0.849 -18.722 -3.064 1.00 0.00 C ATOM 321 O GLN A 20 0.721 -19.768 -3.698 1.00 0.00 O ATOM 322 CB GLN A 20 0.876 -19.357 -0.641 1.00 0.00 C ATOM 323 CG GLN A 20 1.679 -19.455 0.642 1.00 0.00 C ATOM 324 CD GLN A 20 0.871 -19.962 1.813 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.335 -19.726 1.907 1.00 0.00 O ATOM 326 NE2 GLN A 20 1.532 -20.662 2.714 1.00 0.00 N ATOM 0 H GLN A 20 1.268 -16.874 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 20 2.581 -19.221 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.041 -18.800 -0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.581 -20.358 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.529 -20.118 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.083 -18.472 0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.531 -20.833 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.045 -21.033 3.530 1.00 0.00 H new ATOM 335 N VAL A 21 0.341 -17.567 -3.464 1.00 0.00 N ATOM 336 CA VAL A 21 -0.431 -17.451 -4.692 1.00 0.00 C ATOM 337 C VAL A 21 0.489 -17.178 -5.872 1.00 0.00 C ATOM 338 O VAL A 21 0.446 -17.873 -6.888 1.00 0.00 O ATOM 339 CB VAL A 21 -1.480 -16.325 -4.590 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.302 -16.229 -5.868 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.381 -16.541 -3.385 1.00 0.00 C ATOM 0 H VAL A 21 0.450 -16.691 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.950 -18.397 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.952 -15.381 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.034 -15.428 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.643 -16.017 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.818 -17.173 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.114 -15.736 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.897 -17.496 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.779 -16.546 -2.477 1.00 0.00 H new ATOM 351 N TRP A 22 1.334 -16.172 -5.720 1.00 0.00 N ATOM 352 CA TRP A 22 2.274 -15.797 -6.766 1.00 0.00 C ATOM 353 C TRP A 22 3.543 -16.632 -6.650 1.00 0.00 C ATOM 354 O TRP A 22 3.749 -17.322 -5.651 1.00 0.00 O ATOM 355 CB TRP A 22 2.634 -14.312 -6.665 1.00 0.00 C ATOM 356 CG TRP A 22 1.448 -13.400 -6.559 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.304 -13.442 -7.303 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.305 -12.295 -5.662 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.549 -12.437 -6.912 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.045 -11.717 -5.907 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.120 -11.743 -4.669 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.414 -10.609 -5.198 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.664 -10.644 -3.968 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.407 -10.089 -4.234 1.00 0.00 C ATOM 0 H TRP A 22 1.389 -15.597 -4.879 1.00 0.00 H new ATOM 0 HA TRP A 22 1.801 -15.981 -7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.273 -14.162 -5.794 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.218 -14.030 -7.541 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.099 -14.159 -8.084 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.473 -12.256 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.089 -12.169 -4.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.382 -10.176 -5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.287 -10.206 -3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.077 -9.231 -3.666 1.00 0.00 H new ATOM 375 N SER A 23 4.384 -16.575 -7.669 1.00 0.00 N ATOM 376 CA SER A 23 5.668 -17.250 -7.626 1.00 0.00 C ATOM 377 C SER A 23 6.604 -16.488 -6.696 1.00 0.00 C ATOM 378 O SER A 23 6.509 -15.269 -6.592 1.00 0.00 O ATOM 379 CB SER A 23 6.259 -17.339 -9.030 1.00 0.00 C ATOM 380 OG SER A 23 5.332 -17.923 -9.933 1.00 0.00 O ATOM 0 H SER A 23 4.200 -16.068 -8.535 1.00 0.00 H new ATOM 0 HA SER A 23 5.537 -18.264 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.533 -16.343 -9.377 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.174 -17.932 -9.007 1.00 0.00 H new ATOM 0 HG SER A 23 5.731 -17.969 -10.827 1.00 0.00 H new ATOM 386 N VAL A 24 7.497 -17.200 -6.023 1.00 0.00 N ATOM 387 CA VAL A 24 8.384 -16.589 -5.034 1.00 0.00 C ATOM 388 C VAL A 24 9.209 -15.454 -5.638 1.00 0.00 C ATOM 389 O VAL A 24 9.365 -14.399 -5.023 1.00 0.00 O ATOM 390 CB VAL A 24 9.326 -17.631 -4.405 1.00 0.00 C ATOM 391 CG1 VAL A 24 10.171 -17.004 -3.306 1.00 0.00 C ATOM 392 CG2 VAL A 24 8.519 -18.795 -3.860 1.00 0.00 C ATOM 0 H VAL A 24 7.629 -18.204 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 24 7.743 -16.176 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 24 10.001 -18.001 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.829 -17.760 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.771 -16.196 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.519 -16.606 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.192 -19.528 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.826 -18.433 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.959 -19.261 -4.671 1.00 0.00 H new ATOM 402 N GLY A 25 9.718 -15.668 -6.846 1.00 0.00 N ATOM 403 CA GLY A 25 10.488 -14.640 -7.525 1.00 0.00 C ATOM 404 C GLY A 25 9.660 -13.402 -7.798 1.00 0.00 C ATOM 405 O GLY A 25 10.145 -12.274 -7.690 1.00 0.00 O ATOM 0 H GLY A 25 9.611 -16.537 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.352 -14.372 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.871 -15.035 -8.466 1.00 0.00 H new ATOM 409 N TYR A 26 8.397 -13.618 -8.134 1.00 0.00 N ATOM 410 CA TYR A 26 7.474 -12.526 -8.391 1.00 0.00 C ATOM 411 C TYR A 26 7.066 -11.866 -7.079 1.00 0.00 C ATOM 412 O TYR A 26 7.044 -10.641 -6.973 1.00 0.00 O ATOM 413 CB TYR A 26 6.239 -13.039 -9.136 1.00 0.00 C ATOM 414 CG TYR A 26 5.241 -11.959 -9.502 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.398 -11.208 -10.660 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.140 -11.698 -8.694 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.488 -10.226 -11.001 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.226 -10.719 -9.029 1.00 0.00 C ATOM 419 CZ TYR A 26 3.404 -9.985 -10.184 1.00 0.00 C ATOM 420 OH TYR A 26 2.495 -9.009 -10.522 1.00 0.00 O ATOM 0 H TYR A 26 7.987 -14.547 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 26 7.972 -11.785 -9.016 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.562 -13.544 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.740 -13.785 -8.518 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.245 -11.395 -11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.997 -12.271 -7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.625 -9.650 -11.904 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.376 -10.529 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 26 1.791 -8.968 -9.841 1.00 0.00 H new ATOM 430 N ALA A 27 6.766 -12.691 -6.077 1.00 0.00 N ATOM 431 CA ALA A 27 6.353 -12.198 -4.773 1.00 0.00 C ATOM 432 C ALA A 27 7.452 -11.355 -4.141 1.00 0.00 C ATOM 433 O ALA A 27 7.192 -10.286 -3.596 1.00 0.00 O ATOM 434 CB ALA A 27 5.981 -13.360 -3.862 1.00 0.00 C ATOM 0 H ALA A 27 6.803 -13.708 -6.149 1.00 0.00 H new ATOM 0 HA ALA A 27 5.475 -11.566 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.674 -12.976 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.159 -13.922 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.843 -14.015 -3.738 1.00 0.00 H new ATOM 440 N THR A 28 8.684 -11.835 -4.234 1.00 0.00 N ATOM 441 CA THR A 28 9.824 -11.121 -3.679 1.00 0.00 C ATOM 442 C THR A 28 10.029 -9.782 -4.389 1.00 0.00 C ATOM 443 O THR A 28 10.304 -8.772 -3.749 1.00 0.00 O ATOM 444 CB THR A 28 11.111 -11.968 -3.766 1.00 0.00 C ATOM 445 OG1 THR A 28 10.889 -13.245 -3.146 1.00 0.00 O ATOM 446 CG2 THR A 28 12.278 -11.269 -3.082 1.00 0.00 C ATOM 0 H THR A 28 8.919 -12.717 -4.689 1.00 0.00 H new ATOM 0 HA THR A 28 9.609 -10.930 -2.628 1.00 0.00 H new ATOM 0 HB THR A 28 11.360 -12.102 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.482 -13.857 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.170 -11.890 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.461 -10.309 -3.565 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.039 -11.107 -2.031 1.00 0.00 H new ATOM 454 N GLU A 29 9.865 -9.775 -5.707 1.00 0.00 N ATOM 455 CA GLU A 29 10.030 -8.554 -6.487 1.00 0.00 C ATOM 456 C GLU A 29 8.907 -7.562 -6.186 1.00 0.00 C ATOM 457 O GLU A 29 9.146 -6.364 -6.012 1.00 0.00 O ATOM 458 CB GLU A 29 10.064 -8.882 -7.978 1.00 0.00 C ATOM 459 CG GLU A 29 10.367 -7.681 -8.857 1.00 0.00 C ATOM 460 CD GLU A 29 10.514 -8.049 -10.313 1.00 0.00 C ATOM 461 OE1 GLU A 29 11.563 -8.619 -10.682 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.590 -7.768 -11.099 1.00 0.00 O ATOM 0 H GLU A 29 9.619 -10.598 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 29 10.977 -8.092 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.816 -9.651 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.102 -9.303 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.568 -6.947 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.285 -7.205 -8.512 1.00 0.00 H new ATOM 469 N LEU A 30 7.683 -8.071 -6.116 1.00 0.00 N ATOM 470 CA LEU A 30 6.526 -7.249 -5.787 1.00 0.00 C ATOM 471 C LEU A 30 6.707 -6.624 -4.408 1.00 0.00 C ATOM 472 O LEU A 30 6.417 -5.439 -4.204 1.00 0.00 O ATOM 473 CB LEU A 30 5.242 -8.098 -5.845 1.00 0.00 C ATOM 474 CG LEU A 30 3.928 -7.358 -5.552 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.771 -8.030 -6.270 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.645 -7.314 -4.054 1.00 0.00 C ATOM 0 H LEU A 30 7.466 -9.053 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 30 6.436 -6.445 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.170 -8.544 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.340 -8.917 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 30 4.033 -6.336 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.847 -7.494 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.953 -8.018 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.681 -9.061 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.709 -6.784 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.566 -8.331 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.458 -6.796 -3.545 1.00 0.00 H new ATOM 488 N ALA A 31 7.196 -7.429 -3.472 1.00 0.00 N ATOM 489 CA ALA A 31 7.451 -6.966 -2.117 1.00 0.00 C ATOM 490 C ALA A 31 8.613 -5.986 -2.088 1.00 0.00 C ATOM 491 O ALA A 31 8.592 -5.019 -1.339 1.00 0.00 O ATOM 492 CB ALA A 31 7.725 -8.143 -1.194 1.00 0.00 C ATOM 0 H ALA A 31 7.424 -8.411 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 31 6.560 -6.447 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.914 -7.778 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.860 -8.807 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.598 -8.690 -1.551 1.00 0.00 H new ATOM 498 N LYS A 32 9.622 -6.231 -2.916 1.00 0.00 N ATOM 499 CA LYS A 32 10.791 -5.360 -2.980 1.00 0.00 C ATOM 500 C LYS A 32 10.380 -3.920 -3.285 1.00 0.00 C ATOM 501 O LYS A 32 10.860 -2.982 -2.650 1.00 0.00 O ATOM 502 CB LYS A 32 11.779 -5.862 -4.036 1.00 0.00 C ATOM 503 CG LYS A 32 13.059 -5.042 -4.110 1.00 0.00 C ATOM 504 CD LYS A 32 13.768 -4.998 -2.764 1.00 0.00 C ATOM 505 CE LYS A 32 15.031 -4.156 -2.819 1.00 0.00 C ATOM 506 NZ LYS A 32 14.750 -2.747 -3.203 1.00 0.00 N ATOM 0 H LYS A 32 9.655 -7.027 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 32 11.280 -5.380 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.034 -6.899 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.293 -5.850 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.724 -5.470 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.825 -4.028 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.093 -4.592 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.020 -6.012 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.521 -4.175 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.727 -4.594 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.355 -2.109 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.948 -2.617 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.751 -2.528 -3.015 1.00 0.00 H new ATOM 520 N MET A 33 9.483 -3.758 -4.249 1.00 0.00 N ATOM 521 CA MET A 33 8.979 -2.439 -4.613 1.00 0.00 C ATOM 522 C MET A 33 8.111 -1.858 -3.498 1.00 0.00 C ATOM 523 O MET A 33 8.227 -0.685 -3.156 1.00 0.00 O ATOM 524 CB MET A 33 8.182 -2.522 -5.917 1.00 0.00 C ATOM 525 CG MET A 33 7.536 -1.206 -6.322 1.00 0.00 C ATOM 526 SD MET A 33 6.693 -1.299 -7.917 1.00 0.00 S ATOM 527 CE MET A 33 5.540 -2.639 -7.634 1.00 0.00 C ATOM 0 H MET A 33 9.089 -4.525 -4.794 1.00 0.00 H new ATOM 0 HA MET A 33 9.831 -1.776 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.844 -2.853 -6.717 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.406 -3.280 -5.811 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.821 -0.907 -5.556 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.300 -0.430 -6.365 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.589 -2.408 -8.113 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.943 -3.561 -8.054 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.385 -2.766 -6.562 1.00 0.00 H new ATOM 537 N PHE A 34 7.256 -2.694 -2.924 1.00 0.00 N ATOM 538 CA PHE A 34 6.333 -2.243 -1.888 1.00 0.00 C ATOM 539 C PHE A 34 7.105 -1.856 -0.625 1.00 0.00 C ATOM 540 O PHE A 34 6.883 -0.790 -0.061 1.00 0.00 O ATOM 541 CB PHE A 34 5.314 -3.344 -1.578 1.00 0.00 C ATOM 542 CG PHE A 34 4.082 -2.865 -0.857 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.118 -2.568 0.496 1.00 0.00 C ATOM 544 CD2 PHE A 34 2.885 -2.718 -1.535 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.984 -2.135 1.154 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.749 -2.284 -0.881 1.00 0.00 C ATOM 547 CZ PHE A 34 1.799 -1.991 0.464 1.00 0.00 C ATOM 0 H PHE A 34 7.181 -3.684 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 34 5.798 -1.364 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.013 -3.817 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.798 -4.111 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.043 -2.676 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.839 -2.946 -2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.025 -1.909 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.822 -2.174 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.912 -1.649 0.977 1.00 0.00 H new ATOM 557 N ASP A 35 8.017 -2.724 -0.204 1.00 0.00 N ATOM 558 CA ASP A 35 8.846 -2.477 0.974 1.00 0.00 C ATOM 559 C ASP A 35 9.663 -1.202 0.818 1.00 0.00 C ATOM 560 O ASP A 35 9.588 -0.299 1.647 1.00 0.00 O ATOM 561 CB ASP A 35 9.798 -3.652 1.228 1.00 0.00 C ATOM 562 CG ASP A 35 9.231 -4.697 2.170 1.00 0.00 C ATOM 563 OD1 ASP A 35 9.382 -4.532 3.399 1.00 0.00 O ATOM 564 OD2 ASP A 35 8.672 -5.711 1.692 1.00 0.00 O ATOM 0 H ASP A 35 8.204 -3.615 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 35 8.171 -2.365 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.040 -4.125 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.732 -3.270 1.641 1.00 0.00 H new ATOM 569 N ASP A 36 10.423 -1.121 -0.264 1.00 0.00 N ATOM 570 CA ASP A 36 11.371 -0.024 -0.450 1.00 0.00 C ATOM 571 C ASP A 36 10.661 1.317 -0.621 1.00 0.00 C ATOM 572 O ASP A 36 11.235 2.371 -0.342 1.00 0.00 O ATOM 573 CB ASP A 36 12.275 -0.302 -1.651 1.00 0.00 C ATOM 574 CG ASP A 36 13.431 0.676 -1.750 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.279 0.692 -0.833 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.524 1.399 -2.761 1.00 0.00 O ATOM 0 H ASP A 36 10.405 -1.798 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 36 11.982 0.039 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.667 -1.316 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.684 -0.253 -2.565 1.00 0.00 H new ATOM 581 N ASP A 37 9.409 1.277 -1.063 1.00 0.00 N ATOM 582 CA ASP A 37 8.636 2.500 -1.263 1.00 0.00 C ATOM 583 C ASP A 37 7.728 2.816 -0.081 1.00 0.00 C ATOM 584 O ASP A 37 7.836 3.877 0.529 1.00 0.00 O ATOM 585 CB ASP A 37 7.805 2.420 -2.545 1.00 0.00 C ATOM 586 CG ASP A 37 8.555 2.973 -3.735 1.00 0.00 C ATOM 587 OD1 ASP A 37 9.158 4.053 -3.591 1.00 0.00 O ATOM 588 OD2 ASP A 37 8.533 2.349 -4.816 1.00 0.00 O ATOM 0 H ASP A 37 8.909 0.417 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 37 9.360 3.310 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.532 1.382 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.876 2.974 -2.411 1.00 0.00 H new ATOM 593 N ILE A 38 6.844 1.888 0.247 1.00 0.00 N ATOM 594 CA ILE A 38 5.806 2.131 1.242 1.00 0.00 C ATOM 595 C ILE A 38 6.383 2.241 2.656 1.00 0.00 C ATOM 596 O ILE A 38 5.951 3.086 3.442 1.00 0.00 O ATOM 597 CB ILE A 38 4.715 1.027 1.199 1.00 0.00 C ATOM 598 CG1 ILE A 38 3.773 1.223 0.003 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.911 0.991 2.491 1.00 0.00 C ATOM 600 CD1 ILE A 38 4.402 0.931 -1.345 1.00 0.00 C ATOM 0 H ILE A 38 6.823 0.954 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 38 5.348 3.087 0.989 1.00 0.00 H new ATOM 0 HB ILE A 38 5.229 0.073 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.903 0.578 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.411 2.251 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.156 0.207 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.578 0.786 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.423 1.954 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.667 1.095 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.254 1.593 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.738 -0.105 -1.373 1.00 0.00 H new ATOM 612 N LEU A 39 7.374 1.415 2.965 1.00 0.00 N ATOM 613 CA LEU A 39 7.912 1.337 4.327 1.00 0.00 C ATOM 614 C LEU A 39 8.496 2.668 4.816 1.00 0.00 C ATOM 615 O LEU A 39 8.121 3.137 5.892 1.00 0.00 O ATOM 616 CB LEU A 39 8.943 0.209 4.452 1.00 0.00 C ATOM 617 CG LEU A 39 8.368 -1.168 4.804 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.056 -1.244 6.289 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.116 -1.458 3.986 1.00 0.00 C ATOM 0 H LEU A 39 7.824 0.789 2.297 1.00 0.00 H new ATOM 0 HA LEU A 39 7.067 1.109 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.485 0.128 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.670 0.487 5.215 1.00 0.00 H new ATOM 0 HG LEU A 39 9.116 -1.923 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.648 -2.227 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.969 -1.083 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.326 -0.477 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.726 -2.440 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.362 -0.699 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.363 -1.442 2.925 1.00 0.00 H new ATOM 631 N PRO A 40 9.410 3.307 4.056 1.00 0.00 N ATOM 632 CA PRO A 40 9.972 4.612 4.441 1.00 0.00 C ATOM 633 C PRO A 40 8.900 5.692 4.585 1.00 0.00 C ATOM 634 O PRO A 40 9.093 6.684 5.292 1.00 0.00 O ATOM 635 CB PRO A 40 10.915 4.956 3.285 1.00 0.00 C ATOM 636 CG PRO A 40 11.236 3.648 2.653 1.00 0.00 C ATOM 637 CD PRO A 40 9.995 2.819 2.792 1.00 0.00 C ATOM 0 HA PRO A 40 10.464 4.565 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.439 5.632 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.816 5.453 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.507 3.775 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.083 3.172 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.317 2.964 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.224 1.754 2.838 1.00 0.00 H new ATOM 645 N ILE A 41 7.765 5.488 3.928 1.00 0.00 N ATOM 646 CA ILE A 41 6.688 6.467 3.955 1.00 0.00 C ATOM 647 C ILE A 41 5.723 6.185 5.106 1.00 0.00 C ATOM 648 O ILE A 41 5.653 6.949 6.066 1.00 0.00 O ATOM 649 CB ILE A 41 5.900 6.490 2.624 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.840 6.639 1.415 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.876 7.616 2.635 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.538 7.982 1.322 1.00 0.00 C ATOM 0 H ILE A 41 7.568 4.656 3.372 1.00 0.00 H new ATOM 0 HA ILE A 41 7.152 7.442 4.101 1.00 0.00 H new ATOM 0 HB ILE A 41 5.381 5.536 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.595 5.854 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.266 6.478 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.329 7.620 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.178 7.465 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.386 8.571 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.180 7.998 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.794 8.774 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.143 8.140 2.215 1.00 0.00 H new ATOM 664 N ILE A 42 5.000 5.073 5.023 1.00 0.00 N ATOM 665 CA ILE A 42 3.943 4.775 5.989 1.00 0.00 C ATOM 666 C ILE A 42 4.142 3.420 6.666 1.00 0.00 C ATOM 667 O ILE A 42 3.265 2.957 7.392 1.00 0.00 O ATOM 668 CB ILE A 42 2.555 4.762 5.323 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.519 3.716 4.210 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.204 6.140 4.782 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.139 3.175 3.939 1.00 0.00 C ATOM 0 H ILE A 42 5.124 4.364 4.300 1.00 0.00 H new ATOM 0 HA ILE A 42 3.999 5.568 6.734 1.00 0.00 H new ATOM 0 HB ILE A 42 1.810 4.498 6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.914 4.157 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.179 2.890 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.219 6.108 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.195 6.860 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.946 6.440 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.188 2.438 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.749 2.705 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.480 3.991 3.641 1.00 0.00 H new ATOM 683 N GLY A 43 5.290 2.797 6.434 1.00 0.00 N ATOM 684 CA GLY A 43 5.530 1.455 6.943 1.00 0.00 C ATOM 685 C GLY A 43 5.400 1.351 8.448 1.00 0.00 C ATOM 686 O GLY A 43 4.831 0.384 8.962 1.00 0.00 O ATOM 0 H GLY A 43 6.063 3.196 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.826 0.766 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.530 1.136 6.649 1.00 0.00 H new ATOM 690 N GLY A 44 5.904 2.354 9.148 1.00 0.00 N ATOM 691 CA GLY A 44 5.881 2.334 10.594 1.00 0.00 C ATOM 692 C GLY A 44 4.662 3.025 11.163 1.00 0.00 C ATOM 693 O GLY A 44 4.611 3.321 12.357 1.00 0.00 O ATOM 0 H GLY A 44 6.330 3.185 8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.904 1.301 10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.780 2.818 10.975 1.00 0.00 H new ATOM 697 N LEU A 45 3.679 3.292 10.314 1.00 0.00 N ATOM 698 CA LEU A 45 2.457 3.937 10.760 1.00 0.00 C ATOM 699 C LEU A 45 1.374 2.895 11.003 1.00 0.00 C ATOM 700 O LEU A 45 1.359 1.840 10.363 1.00 0.00 O ATOM 701 CB LEU A 45 1.984 4.961 9.725 1.00 0.00 C ATOM 702 CG LEU A 45 2.985 6.076 9.411 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.448 6.988 8.321 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.308 6.875 10.663 1.00 0.00 C ATOM 0 H LEU A 45 3.705 3.072 9.318 1.00 0.00 H new ATOM 0 HA LEU A 45 2.660 4.459 11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.746 4.436 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.059 5.414 10.081 1.00 0.00 H new ATOM 0 HG LEU A 45 3.905 5.616 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.175 7.773 8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.272 6.408 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.512 7.438 8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.021 7.662 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.394 7.322 11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.741 6.215 11.415 1.00 0.00 H new ATOM 716 N GLU A 46 0.481 3.184 11.937 1.00 0.00 N ATOM 717 CA GLU A 46 -0.612 2.278 12.247 1.00 0.00 C ATOM 718 C GLU A 46 -1.692 2.395 11.190 1.00 0.00 C ATOM 719 O GLU A 46 -2.023 3.495 10.752 1.00 0.00 O ATOM 720 CB GLU A 46 -1.184 2.570 13.630 1.00 0.00 C ATOM 721 CG GLU A 46 -0.202 2.301 14.754 1.00 0.00 C ATOM 722 CD GLU A 46 -0.819 2.501 16.118 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.376 1.527 16.672 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.764 3.632 16.640 1.00 0.00 O ATOM 0 H GLU A 46 0.492 4.039 12.493 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.228 1.258 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.498 3.613 13.673 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.076 1.962 13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.169 1.279 14.672 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.658 2.962 14.647 1.00 0.00 H new ATOM 731 N ILE A 47 -2.248 1.259 10.805 1.00 0.00 N ATOM 732 CA ILE A 47 -3.139 1.181 9.654 1.00 0.00 C ATOM 733 C ILE A 47 -4.417 2.016 9.838 1.00 0.00 C ATOM 734 O ILE A 47 -5.070 2.384 8.863 1.00 0.00 O ATOM 735 CB ILE A 47 -3.492 -0.291 9.347 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.968 -0.425 7.900 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.556 -0.806 10.310 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.077 -1.855 7.421 1.00 0.00 C ATOM 0 H ILE A 47 -2.097 0.367 11.277 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.603 1.607 8.805 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.596 -0.897 9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.941 0.056 7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.279 0.114 7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.788 -1.845 10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.184 -0.741 11.332 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.458 -0.202 10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.420 -1.867 6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.101 -2.336 7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.789 -2.395 8.046 1.00 0.00 H new ATOM 750 N GLN A 48 -4.764 2.319 11.085 1.00 0.00 N ATOM 751 CA GLN A 48 -5.940 3.139 11.370 1.00 0.00 C ATOM 752 C GLN A 48 -5.597 4.626 11.361 1.00 0.00 C ATOM 753 O GLN A 48 -6.482 5.474 11.248 1.00 0.00 O ATOM 754 CB GLN A 48 -6.527 2.792 12.739 1.00 0.00 C ATOM 755 CG GLN A 48 -7.177 1.421 12.831 1.00 0.00 C ATOM 756 CD GLN A 48 -7.785 1.189 14.199 1.00 0.00 C ATOM 757 OE1 GLN A 48 -7.292 1.702 15.201 1.00 0.00 O ATOM 758 NE2 GLN A 48 -8.861 0.427 14.256 1.00 0.00 N ATOM 0 H GLN A 48 -4.252 2.012 11.912 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.668 2.929 10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.733 2.852 13.484 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.268 3.547 13.002 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.950 1.331 12.068 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.434 0.650 12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.242 0.018 13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.312 0.247 15.153 1.00 0.00 H new ATOM 767 N ASP A 49 -4.319 4.941 11.481 1.00 0.00 N ATOM 768 CA ASP A 49 -3.890 6.316 11.713 1.00 0.00 C ATOM 769 C ASP A 49 -2.886 6.774 10.668 1.00 0.00 C ATOM 770 O ASP A 49 -2.004 7.588 10.948 1.00 0.00 O ATOM 771 CB ASP A 49 -3.290 6.451 13.116 1.00 0.00 C ATOM 772 CG ASP A 49 -4.348 6.479 14.204 1.00 0.00 C ATOM 773 OD1 ASP A 49 -4.954 5.425 14.489 1.00 0.00 O ATOM 774 OD2 ASP A 49 -4.590 7.566 14.771 1.00 0.00 O ATOM 0 H ASP A 49 -3.557 4.265 11.422 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.768 6.957 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.610 5.619 13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.697 7.364 13.167 1.00 0.00 H new ATOM 779 N ILE A 50 -3.034 6.267 9.455 1.00 0.00 N ATOM 780 CA ILE A 50 -2.177 6.671 8.354 1.00 0.00 C ATOM 781 C ILE A 50 -2.688 7.963 7.730 1.00 0.00 C ATOM 782 O ILE A 50 -3.873 8.091 7.420 1.00 0.00 O ATOM 783 CB ILE A 50 -2.082 5.570 7.276 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.433 4.319 7.871 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.293 6.061 6.069 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.333 3.158 6.910 1.00 0.00 C ATOM 0 H ILE A 50 -3.741 5.574 9.208 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.178 6.836 8.759 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.088 5.321 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.433 4.574 8.221 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.006 4.006 8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.239 5.268 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.789 6.931 5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.285 6.335 6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.862 2.312 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.331 2.873 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.734 3.450 6.048 1.00 0.00 H new ATOM 798 N GLU A 51 -1.791 8.925 7.574 1.00 0.00 N ATOM 799 CA GLU A 51 -2.136 10.210 6.984 1.00 0.00 C ATOM 800 C GLU A 51 -2.434 10.055 5.496 1.00 0.00 C ATOM 801 O GLU A 51 -1.626 9.501 4.750 1.00 0.00 O ATOM 802 CB GLU A 51 -0.993 11.208 7.187 1.00 0.00 C ATOM 803 CG GLU A 51 -0.679 11.487 8.649 1.00 0.00 C ATOM 804 CD GLU A 51 -1.822 12.166 9.371 1.00 0.00 C ATOM 805 OE1 GLU A 51 -2.744 11.463 9.835 1.00 0.00 O ATOM 806 OE2 GLU A 51 -1.805 13.409 9.478 1.00 0.00 O ATOM 0 H GLU A 51 -0.813 8.839 7.850 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.030 10.587 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.097 10.825 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.249 12.146 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.443 10.549 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.210 12.115 8.712 1.00 0.00 H new ATOM 813 N PRO A 52 -3.605 10.537 5.052 1.00 0.00 N ATOM 814 CA PRO A 52 -4.015 10.469 3.644 1.00 0.00 C ATOM 815 C PRO A 52 -2.981 11.081 2.700 1.00 0.00 C ATOM 816 O PRO A 52 -2.644 10.496 1.671 1.00 0.00 O ATOM 817 CB PRO A 52 -5.311 11.280 3.611 1.00 0.00 C ATOM 818 CG PRO A 52 -5.838 11.211 5.002 1.00 0.00 C ATOM 819 CD PRO A 52 -4.633 11.170 5.897 1.00 0.00 C ATOM 0 HA PRO A 52 -4.129 9.439 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.125 12.311 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.021 10.862 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.462 12.076 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.458 10.326 5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.334 12.169 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.823 10.591 6.801 1.00 0.00 H new ATOM 827 N MET A 53 -2.461 12.247 3.067 1.00 0.00 N ATOM 828 CA MET A 53 -1.482 12.943 2.241 1.00 0.00 C ATOM 829 C MET A 53 -0.161 12.180 2.212 1.00 0.00 C ATOM 830 O MET A 53 0.602 12.271 1.252 1.00 0.00 O ATOM 831 CB MET A 53 -1.267 14.366 2.760 1.00 0.00 C ATOM 832 CG MET A 53 -0.271 15.179 1.948 1.00 0.00 C ATOM 833 SD MET A 53 -0.193 16.902 2.470 1.00 0.00 S ATOM 834 CE MET A 53 0.256 16.721 4.196 1.00 0.00 C ATOM 0 H MET A 53 -2.702 12.730 3.932 1.00 0.00 H new ATOM 0 HA MET A 53 -1.866 12.997 1.222 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.224 14.887 2.768 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.923 14.316 3.793 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.718 14.731 2.039 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.545 15.135 0.894 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.599 17.680 4.585 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.612 16.389 4.765 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.054 15.985 4.289 1.00 0.00 H new ATOM 844 N GLN A 54 0.092 11.403 3.255 1.00 0.00 N ATOM 845 CA GLN A 54 1.308 10.611 3.331 1.00 0.00 C ATOM 846 C GLN A 54 1.143 9.337 2.502 1.00 0.00 C ATOM 847 O GLN A 54 2.093 8.832 1.903 1.00 0.00 O ATOM 848 CB GLN A 54 1.633 10.288 4.789 1.00 0.00 C ATOM 849 CG GLN A 54 3.096 9.968 5.038 1.00 0.00 C ATOM 850 CD GLN A 54 3.453 10.041 6.509 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.850 10.798 7.266 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.442 9.270 6.928 1.00 0.00 N ATOM 0 H GLN A 54 -0.528 11.305 4.059 1.00 0.00 H new ATOM 0 HA GLN A 54 2.142 11.180 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.346 11.136 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.027 9.440 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.318 8.970 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.720 10.666 4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.921 8.653 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.726 9.292 7.907 1.00 0.00 H new ATOM 861 N LEU A 55 -0.082 8.834 2.449 1.00 0.00 N ATOM 862 CA LEU A 55 -0.404 7.734 1.552 1.00 0.00 C ATOM 863 C LEU A 55 -0.287 8.220 0.109 1.00 0.00 C ATOM 864 O LEU A 55 0.089 7.470 -0.794 1.00 0.00 O ATOM 865 CB LEU A 55 -1.815 7.204 1.833 1.00 0.00 C ATOM 866 CG LEU A 55 -2.207 5.945 1.054 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.276 4.790 1.396 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.649 5.569 1.349 1.00 0.00 C ATOM 0 H LEU A 55 -0.864 9.167 3.012 1.00 0.00 H new ATOM 0 HA LEU A 55 0.296 6.915 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.901 6.993 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.533 7.991 1.605 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.113 6.156 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.572 3.905 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.252 5.059 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.337 4.577 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.913 4.672 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.764 5.377 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.306 6.388 1.055 1.00 0.00 H new ATOM 880 N LEU A 56 -0.600 9.499 -0.088 1.00 0.00 N ATOM 881 CA LEU A 56 -0.417 10.142 -1.380 1.00 0.00 C ATOM 882 C LEU A 56 1.072 10.247 -1.683 1.00 0.00 C ATOM 883 O LEU A 56 1.480 10.110 -2.826 1.00 0.00 O ATOM 884 CB LEU A 56 -1.084 11.533 -1.394 1.00 0.00 C ATOM 885 CG LEU A 56 -1.381 12.143 -2.779 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.121 12.657 -3.452 1.00 0.00 C ATOM 887 CD2 LEU A 56 -2.076 11.124 -3.672 1.00 0.00 C ATOM 0 H LEU A 56 -0.982 10.109 0.635 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.894 9.541 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.022 11.466 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.442 12.224 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.044 12.994 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.374 13.079 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.335 13.427 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.582 11.835 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.278 11.571 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.433 10.253 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.015 10.817 -3.212 1.00 0.00 H new ATOM 899 N GLU A 57 1.876 10.469 -0.646 1.00 0.00 N ATOM 900 CA GLU A 57 3.331 10.515 -0.787 1.00 0.00 C ATOM 901 C GLU A 57 3.843 9.220 -1.419 1.00 0.00 C ATOM 902 O GLU A 57 4.757 9.241 -2.235 1.00 0.00 O ATOM 903 CB GLU A 57 3.991 10.738 0.577 1.00 0.00 C ATOM 904 CG GLU A 57 5.507 10.857 0.534 1.00 0.00 C ATOM 905 CD GLU A 57 5.982 12.141 -0.115 1.00 0.00 C ATOM 906 OE1 GLU A 57 6.071 13.168 0.588 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.285 12.129 -1.323 1.00 0.00 O ATOM 0 H GLU A 57 1.543 10.621 0.306 1.00 0.00 H new ATOM 0 HA GLU A 57 3.592 11.348 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.581 11.645 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.723 9.912 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.899 10.803 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.917 10.007 -0.012 1.00 0.00 H new ATOM 914 N VAL A 58 3.245 8.091 -1.037 1.00 0.00 N ATOM 915 CA VAL A 58 3.568 6.806 -1.662 1.00 0.00 C ATOM 916 C VAL A 58 3.227 6.821 -3.157 1.00 0.00 C ATOM 917 O VAL A 58 4.083 6.566 -4.008 1.00 0.00 O ATOM 918 CB VAL A 58 2.818 5.635 -0.983 1.00 0.00 C ATOM 919 CG1 VAL A 58 3.089 4.323 -1.706 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.214 5.529 0.480 1.00 0.00 C ATOM 0 H VAL A 58 2.539 8.039 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 58 4.640 6.655 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 58 1.749 5.838 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.551 3.516 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.753 4.401 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.158 4.111 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.678 4.701 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.287 5.353 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.962 6.457 0.993 1.00 0.00 H new ATOM 930 N ILE A 59 1.974 7.132 -3.467 1.00 0.00 N ATOM 931 CA ILE A 59 1.514 7.187 -4.858 1.00 0.00 C ATOM 932 C ILE A 59 2.330 8.207 -5.659 1.00 0.00 C ATOM 933 O ILE A 59 2.718 7.958 -6.802 1.00 0.00 O ATOM 934 CB ILE A 59 0.000 7.532 -4.942 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.865 6.269 -4.838 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.335 8.280 -6.228 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.757 5.539 -3.516 1.00 0.00 C ATOM 0 H ILE A 59 1.255 7.351 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 59 1.662 6.198 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.223 8.182 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.907 6.543 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.585 5.586 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.401 8.504 -6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.232 9.210 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.075 7.661 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.402 4.660 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.275 5.229 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.067 6.202 -2.708 1.00 0.00 H new ATOM 949 N ARG A 60 2.609 9.340 -5.033 1.00 0.00 N ATOM 950 CA ARG A 60 3.344 10.420 -5.671 1.00 0.00 C ATOM 951 C ARG A 60 4.832 10.087 -5.755 1.00 0.00 C ATOM 952 O ARG A 60 5.553 10.633 -6.592 1.00 0.00 O ATOM 953 CB ARG A 60 3.107 11.729 -4.915 1.00 0.00 C ATOM 954 CG ARG A 60 3.771 12.941 -5.544 1.00 0.00 C ATOM 955 CD ARG A 60 3.226 14.239 -4.968 1.00 0.00 C ATOM 956 NE ARG A 60 3.234 14.251 -3.503 1.00 0.00 N ATOM 957 CZ ARG A 60 4.315 14.468 -2.754 1.00 0.00 C ATOM 958 NH1 ARG A 60 5.513 14.606 -3.316 1.00 0.00 N ATOM 959 NH2 ARG A 60 4.190 14.546 -1.435 1.00 0.00 N ATOM 0 H ARG A 60 2.333 9.536 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 60 2.979 10.542 -6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.034 11.909 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.473 11.617 -3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.848 12.893 -5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.612 12.925 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.820 15.074 -5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.207 14.391 -5.324 1.00 0.00 H new ATOM 0 HE ARG A 60 2.350 14.081 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.611 14.546 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.334 14.772 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.272 14.440 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.012 14.712 -0.854 1.00 0.00 H new ATOM 973 N ARG A 61 5.284 9.176 -4.896 1.00 0.00 N ATOM 974 CA ARG A 61 6.641 8.655 -4.980 1.00 0.00 C ATOM 975 C ARG A 61 6.825 8.005 -6.344 1.00 0.00 C ATOM 976 O ARG A 61 7.814 8.239 -7.039 1.00 0.00 O ATOM 977 CB ARG A 61 6.903 7.624 -3.879 1.00 0.00 C ATOM 978 CG ARG A 61 8.152 7.907 -3.063 1.00 0.00 C ATOM 979 CD ARG A 61 8.542 6.719 -2.201 1.00 0.00 C ATOM 980 NE ARG A 61 9.701 7.021 -1.364 1.00 0.00 N ATOM 981 CZ ARG A 61 10.666 6.153 -1.079 1.00 0.00 C ATOM 982 NH1 ARG A 61 10.667 4.944 -1.621 1.00 0.00 N ATOM 983 NH2 ARG A 61 11.654 6.518 -0.276 1.00 0.00 N ATOM 0 H ARG A 61 4.728 8.785 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 61 7.347 9.475 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.042 7.592 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.991 6.636 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.975 8.156 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.983 8.777 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.700 6.435 -1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.765 5.864 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 61 9.774 7.960 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.923 4.672 -2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.412 4.285 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.670 7.459 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.399 5.858 -0.052 1.00 0.00 H new ATOM 997 N PHE A 62 5.838 7.198 -6.726 1.00 0.00 N ATOM 998 CA PHE A 62 5.821 6.584 -8.047 1.00 0.00 C ATOM 999 C PHE A 62 5.545 7.627 -9.131 1.00 0.00 C ATOM 1000 O PHE A 62 6.119 7.564 -10.219 1.00 0.00 O ATOM 1001 CB PHE A 62 4.764 5.480 -8.123 1.00 0.00 C ATOM 1002 CG PHE A 62 5.051 4.285 -7.261 1.00 0.00 C ATOM 1003 CD1 PHE A 62 5.827 3.240 -7.736 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.536 4.202 -5.980 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.083 2.135 -6.947 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.790 3.102 -5.186 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.563 2.065 -5.670 1.00 0.00 C ATOM 0 H PHE A 62 5.041 6.955 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 62 6.805 6.147 -8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.799 5.897 -7.835 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.673 5.152 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.236 3.290 -8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.928 5.008 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.689 1.327 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.384 3.052 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.760 1.202 -5.051 1.00 0.00 H new ATOM 1017 N GLU A 63 4.669 8.584 -8.820 1.00 0.00 N ATOM 1018 CA GLU A 63 4.285 9.641 -9.763 1.00 0.00 C ATOM 1019 C GLU A 63 5.504 10.364 -10.324 1.00 0.00 C ATOM 1020 O GLU A 63 5.604 10.579 -11.534 1.00 0.00 O ATOM 1021 CB GLU A 63 3.377 10.666 -9.080 1.00 0.00 C ATOM 1022 CG GLU A 63 2.898 11.768 -10.011 1.00 0.00 C ATOM 1023 CD GLU A 63 2.352 12.970 -9.270 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.293 12.848 -8.622 1.00 0.00 O ATOM 1025 OE2 GLU A 63 2.978 14.048 -9.347 1.00 0.00 O ATOM 0 H GLU A 63 4.207 8.650 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 63 3.753 9.159 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.511 10.152 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.914 11.115 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.725 12.084 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.125 11.371 -10.668 1.00 0.00 H new ATOM 1032 N ASP A 64 6.427 10.730 -9.440 1.00 0.00 N ATOM 1033 CA ASP A 64 7.621 11.482 -9.826 1.00 0.00 C ATOM 1034 C ASP A 64 8.443 10.730 -10.872 1.00 0.00 C ATOM 1035 O ASP A 64 9.108 11.335 -11.712 1.00 0.00 O ATOM 1036 CB ASP A 64 8.485 11.768 -8.595 1.00 0.00 C ATOM 1037 CG ASP A 64 9.698 12.609 -8.931 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.534 13.830 -9.143 1.00 0.00 O ATOM 1039 OD2 ASP A 64 10.815 12.054 -8.990 1.00 0.00 O ATOM 0 H ASP A 64 6.372 10.517 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 64 7.292 12.423 -10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.885 12.282 -7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.809 10.826 -8.154 1.00 0.00 H new ATOM 1044 N ARG A 65 8.363 9.410 -10.833 1.00 0.00 N ATOM 1045 CA ARG A 65 9.120 8.559 -11.746 1.00 0.00 C ATOM 1046 C ARG A 65 8.393 8.415 -13.075 1.00 0.00 C ATOM 1047 O ARG A 65 8.963 7.953 -14.064 1.00 0.00 O ATOM 1048 CB ARG A 65 9.305 7.175 -11.124 1.00 0.00 C ATOM 1049 CG ARG A 65 9.869 7.228 -9.722 1.00 0.00 C ATOM 1050 CD ARG A 65 9.717 5.906 -8.990 1.00 0.00 C ATOM 1051 NE ARG A 65 10.113 6.054 -7.599 1.00 0.00 N ATOM 1052 CZ ARG A 65 9.857 5.187 -6.625 1.00 0.00 C ATOM 1053 NH1 ARG A 65 9.206 4.054 -6.868 1.00 0.00 N ATOM 1054 NH2 ARG A 65 10.256 5.465 -5.398 1.00 0.00 N ATOM 0 H ARG A 65 7.777 8.898 -10.174 1.00 0.00 H new ATOM 0 HA ARG A 65 10.091 9.022 -11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.344 6.660 -11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.970 6.585 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.924 7.497 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.364 8.013 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.683 5.567 -9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.329 5.143 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 65 10.632 6.896 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.894 3.838 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.018 3.400 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.753 6.335 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.067 4.810 -4.640 1.00 0.00 H new ATOM 1068 N GLY A 66 7.137 8.824 -13.096 1.00 0.00 N ATOM 1069 CA GLY A 66 6.284 8.538 -14.230 1.00 0.00 C ATOM 1070 C GLY A 66 5.695 7.151 -14.109 1.00 0.00 C ATOM 1071 O GLY A 66 5.070 6.638 -15.033 1.00 0.00 O ATOM 0 H GLY A 66 6.690 9.351 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.484 9.276 -14.287 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.857 8.617 -15.154 1.00 0.00 H new ATOM 1075 N ALA A 67 5.885 6.558 -12.936 1.00 0.00 N ATOM 1076 CA ALA A 67 5.430 5.206 -12.658 1.00 0.00 C ATOM 1077 C ALA A 67 3.963 5.214 -12.244 1.00 0.00 C ATOM 1078 O ALA A 67 3.587 4.626 -11.234 1.00 0.00 O ATOM 1079 CB ALA A 67 6.301 4.584 -11.569 1.00 0.00 C ATOM 0 H ALA A 67 6.360 7.004 -12.151 1.00 0.00 H new ATOM 0 HA ALA A 67 5.520 4.604 -13.562 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.957 3.570 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.338 4.554 -11.905 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.231 5.183 -10.661 1.00 0.00 H new ATOM 1085 N MET A 68 3.139 5.884 -13.046 1.00 0.00 N ATOM 1086 CA MET A 68 1.711 6.029 -12.762 1.00 0.00 C ATOM 1087 C MET A 68 1.010 4.675 -12.734 1.00 0.00 C ATOM 1088 O MET A 68 0.090 4.458 -11.943 1.00 0.00 O ATOM 1089 CB MET A 68 1.049 6.938 -13.803 1.00 0.00 C ATOM 1090 CG MET A 68 1.473 8.400 -13.719 1.00 0.00 C ATOM 1091 SD MET A 68 0.518 9.357 -12.515 1.00 0.00 S ATOM 1092 CE MET A 68 0.968 8.576 -10.967 1.00 0.00 C ATOM 0 H MET A 68 3.439 6.340 -13.907 1.00 0.00 H new ATOM 0 HA MET A 68 1.614 6.483 -11.776 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.282 6.561 -14.799 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.033 6.878 -13.685 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.530 8.450 -13.456 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.368 8.858 -14.702 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.975 9.322 -10.172 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.243 7.797 -10.728 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.960 8.133 -11.058 1.00 0.00 H new ATOM 1102 N GLU A 69 1.463 3.766 -13.584 1.00 0.00 N ATOM 1103 CA GLU A 69 0.890 2.432 -13.660 1.00 0.00 C ATOM 1104 C GLU A 69 1.137 1.682 -12.351 1.00 0.00 C ATOM 1105 O GLU A 69 0.212 1.133 -11.752 1.00 0.00 O ATOM 1106 CB GLU A 69 1.487 1.689 -14.865 1.00 0.00 C ATOM 1107 CG GLU A 69 0.902 0.307 -15.121 1.00 0.00 C ATOM 1108 CD GLU A 69 1.589 -0.788 -14.331 1.00 0.00 C ATOM 1109 OE1 GLU A 69 2.736 -1.142 -14.676 1.00 0.00 O ATOM 1110 OE2 GLU A 69 0.979 -1.310 -13.376 1.00 0.00 O ATOM 0 H GLU A 69 2.231 3.930 -14.235 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.189 2.497 -13.802 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.343 2.299 -15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.562 1.590 -14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.159 0.316 -14.870 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.976 0.080 -16.184 1.00 0.00 H new ATOM 1117 N ARG A 70 2.381 1.698 -11.890 1.00 0.00 N ATOM 1118 CA ARG A 70 2.742 1.033 -10.644 1.00 0.00 C ATOM 1119 C ARG A 70 2.244 1.818 -9.433 1.00 0.00 C ATOM 1120 O ARG A 70 2.147 1.279 -8.328 1.00 0.00 O ATOM 1121 CB ARG A 70 4.255 0.817 -10.572 1.00 0.00 C ATOM 1122 CG ARG A 70 4.755 -0.181 -11.604 1.00 0.00 C ATOM 1123 CD ARG A 70 6.265 -0.351 -11.556 1.00 0.00 C ATOM 1124 NE ARG A 70 6.718 -1.368 -12.507 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.807 -2.117 -12.342 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.622 -1.902 -11.314 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.099 -3.067 -13.223 1.00 0.00 N ATOM 0 H ARG A 70 3.157 2.164 -12.360 1.00 0.00 H new ATOM 0 HA ARG A 70 2.254 0.058 -10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.761 1.771 -10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.521 0.466 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.277 -1.146 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.460 0.150 -12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.747 0.600 -11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.569 -0.632 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 70 6.163 -1.512 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.415 -1.160 -10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.454 -2.479 -11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.489 -3.223 -14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.933 -3.641 -13.097 1.00 0.00 H new ATOM 1141 N ALA A 71 1.914 3.088 -9.645 1.00 0.00 N ATOM 1142 CA ALA A 71 1.323 3.912 -8.597 1.00 0.00 C ATOM 1143 C ALA A 71 -0.102 3.458 -8.314 1.00 0.00 C ATOM 1144 O ALA A 71 -0.527 3.393 -7.160 1.00 0.00 O ATOM 1145 CB ALA A 71 1.338 5.380 -8.992 1.00 0.00 C ATOM 0 H ALA A 71 2.046 3.569 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 71 1.918 3.795 -7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.892 5.976 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.366 5.703 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.766 5.516 -9.910 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.832 3.138 -9.377 1.00 0.00 N ATOM 1152 CA ASN A 72 -2.173 2.581 -9.240 1.00 0.00 C ATOM 1153 C ASN A 72 -2.099 1.240 -8.518 1.00 0.00 C ATOM 1154 O ASN A 72 -2.938 0.921 -7.672 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.830 2.406 -10.615 1.00 0.00 C ATOM 1156 CG ASN A 72 -4.223 1.806 -10.530 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.955 2.035 -9.570 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -4.591 1.015 -11.527 1.00 0.00 N ATOM 0 H ASN A 72 -0.519 3.254 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.782 3.271 -8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.886 3.375 -11.112 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.201 1.766 -11.234 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.510 0.572 -11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.956 0.849 -12.307 1.00 0.00 H new ATOM 1165 N LYS A 73 -1.073 0.461 -8.852 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.802 -0.788 -8.152 1.00 0.00 C ATOM 1167 C LYS A 73 -0.529 -0.524 -6.676 1.00 0.00 C ATOM 1168 O LYS A 73 -0.992 -1.265 -5.813 1.00 0.00 O ATOM 1169 CB LYS A 73 0.391 -1.517 -8.774 1.00 0.00 C ATOM 1170 CG LYS A 73 0.031 -2.390 -9.964 1.00 0.00 C ATOM 1171 CD LYS A 73 1.264 -3.083 -10.524 1.00 0.00 C ATOM 1172 CE LYS A 73 0.900 -4.174 -11.520 1.00 0.00 C ATOM 1173 NZ LYS A 73 0.083 -3.659 -12.647 1.00 0.00 N ATOM 0 H LYS A 73 -0.417 0.674 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.685 -1.421 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.130 -0.780 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.863 -2.137 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.705 -3.136 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.432 -1.780 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.904 -2.347 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.840 -3.516 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.812 -4.624 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.350 -4.963 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.126 -4.435 -13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.808 -3.268 -12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.609 -2.913 -13.145 1.00 0.00 H new ATOM 1187 N ALA A 74 0.225 0.530 -6.390 1.00 0.00 N ATOM 1188 CA ALA A 74 0.540 0.897 -5.016 1.00 0.00 C ATOM 1189 C ALA A 74 -0.731 1.184 -4.224 1.00 0.00 C ATOM 1190 O ALA A 74 -0.922 0.639 -3.138 1.00 0.00 O ATOM 1191 CB ALA A 74 1.471 2.099 -4.977 1.00 0.00 C ATOM 0 H ALA A 74 0.631 1.147 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 74 1.049 0.052 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.692 2.355 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.398 1.858 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.991 2.947 -5.465 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.595 2.025 -4.782 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.857 2.373 -4.134 1.00 0.00 C ATOM 1199 C ARG A 75 -3.707 1.130 -3.877 1.00 0.00 C ATOM 1200 O ARG A 75 -4.209 0.930 -2.772 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.645 3.366 -4.996 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.921 3.869 -4.334 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.760 4.703 -5.292 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.952 5.262 -4.644 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.165 5.301 -5.210 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -8.361 4.764 -6.409 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.184 5.863 -4.567 1.00 0.00 N ATOM 0 H ARG A 75 -1.445 2.480 -5.683 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.621 2.835 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.007 4.218 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.900 2.890 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.507 3.020 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.666 4.466 -3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.152 5.514 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.064 4.086 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.850 5.645 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.586 4.320 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.286 4.796 -6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.043 6.266 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.107 5.892 -5.000 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.858 0.292 -4.896 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.718 -0.883 -4.793 1.00 0.00 C ATOM 1223 C ARG A 76 -4.136 -1.945 -3.863 1.00 0.00 C ATOM 1224 O ARG A 76 -4.878 -2.597 -3.130 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.994 -1.468 -6.176 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.943 -0.616 -6.999 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.230 -1.245 -8.348 1.00 0.00 C ATOM 1228 NE ARG A 76 -5.059 -1.232 -9.220 1.00 0.00 N ATOM 1229 CZ ARG A 76 -4.691 -2.259 -9.984 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.355 -3.404 -9.926 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -3.651 -2.147 -10.798 1.00 0.00 N ATOM 0 H ARG A 76 -3.399 0.403 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.661 -0.556 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.052 -1.576 -6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.415 -2.467 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.877 -0.481 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.512 0.375 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.563 -2.273 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.047 -0.709 -8.831 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.489 -0.386 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.151 -3.501 -9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.071 -4.189 -10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.129 -1.272 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.373 -2.936 -11.381 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.819 -2.118 -3.883 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.175 -3.074 -2.987 1.00 0.00 C ATOM 1247 C ARG A 77 -2.363 -2.645 -1.539 1.00 0.00 C ATOM 1248 O ARG A 77 -2.673 -3.465 -0.677 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.686 -3.226 -3.305 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.411 -3.952 -4.613 1.00 0.00 C ATOM 1251 CD ARG A 77 1.081 -4.060 -4.890 1.00 0.00 C ATOM 1252 NE ARG A 77 1.725 -2.745 -4.957 1.00 0.00 N ATOM 1253 CZ ARG A 77 3.046 -2.554 -4.889 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.866 -3.597 -4.776 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.543 -1.320 -4.936 1.00 0.00 N ATOM 0 H ARG A 77 -2.182 -1.616 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.648 -4.044 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.229 -2.237 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.203 -3.767 -2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.848 -4.950 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.897 -3.423 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.553 -4.655 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.238 -4.588 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 77 1.128 -1.925 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.486 -4.543 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.874 -3.450 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.916 -0.521 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.551 -1.174 -4.884 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.191 -1.351 -1.278 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.440 -0.812 0.051 1.00 0.00 C ATOM 1271 C CYS A 78 -3.914 -0.977 0.404 1.00 0.00 C ATOM 1272 O CYS A 78 -4.253 -1.320 1.535 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.044 0.664 0.122 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.309 0.986 -0.272 1.00 0.00 S ATOM 0 H CYS A 78 -1.883 -0.663 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.833 -1.362 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.672 1.231 -0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.252 1.037 1.125 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.119 0.836 -1.549 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.779 -0.741 -0.582 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.205 -0.925 -0.395 1.00 0.00 C ATOM 1282 C GLY A 79 -6.560 -2.338 0.021 1.00 0.00 C ATOM 1283 O GLY A 79 -7.463 -2.538 0.830 1.00 0.00 O ATOM 0 H GLY A 79 -4.511 -0.423 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.562 -0.227 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.724 -0.682 -1.322 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.849 -3.318 -0.526 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.083 -4.713 -0.172 1.00 0.00 C ATOM 1289 C GLU A 80 -5.585 -4.993 1.244 1.00 0.00 C ATOM 1290 O GLU A 80 -6.200 -5.763 1.984 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.422 -5.659 -1.182 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.702 -7.128 -0.896 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.476 -8.024 -2.098 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -6.372 -8.091 -2.967 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.420 -8.685 -2.163 1.00 0.00 O ATOM 0 H GLU A 80 -5.109 -3.173 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.157 -4.896 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.776 -5.416 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.345 -5.493 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.063 -7.460 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.733 -7.236 -0.559 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.482 -4.353 1.624 1.00 0.00 N ATOM 1303 CA VAL A 81 -3.990 -4.435 2.995 1.00 0.00 C ATOM 1304 C VAL A 81 -5.025 -3.843 3.950 1.00 0.00 C ATOM 1305 O VAL A 81 -5.339 -4.431 4.987 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.639 -3.703 3.170 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.157 -3.798 4.612 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.597 -4.274 2.221 1.00 0.00 C ATOM 0 H VAL A 81 -3.915 -3.775 1.004 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.828 -5.488 3.226 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.787 -2.651 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.205 -3.276 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.893 -3.340 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.027 -4.846 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.653 -3.747 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.455 -5.334 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.935 -4.151 1.192 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.569 -2.684 3.575 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.657 -2.069 4.326 1.00 0.00 C ATOM 1320 C PHE A 82 -7.859 -3.003 4.370 1.00 0.00 C ATOM 1321 O PHE A 82 -8.488 -3.166 5.411 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.083 -0.735 3.700 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.066 0.368 3.809 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.502 0.695 5.030 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.687 1.090 2.688 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.578 1.718 5.133 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.762 2.112 2.783 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.206 2.426 4.005 1.00 0.00 C ATOM 0 H PHE A 82 -5.272 -2.155 2.755 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.294 -1.882 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.307 -0.900 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.007 -0.406 4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.788 0.144 5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.120 0.851 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.148 1.964 6.093 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.475 2.665 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.481 3.223 4.081 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.165 -3.614 3.228 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.289 -4.536 3.118 1.00 0.00 C ATOM 1340 C ARG A 83 -9.122 -5.699 4.086 1.00 0.00 C ATOM 1341 O ARG A 83 -10.070 -6.092 4.763 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.414 -5.069 1.689 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.715 -5.811 1.425 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.716 -6.469 0.054 1.00 0.00 C ATOM 1345 NE ARG A 83 -9.952 -7.716 0.043 1.00 0.00 N ATOM 1346 CZ ARG A 83 -9.050 -8.040 -0.887 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -8.782 -7.205 -1.884 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -8.416 -9.205 -0.822 1.00 0.00 N ATOM 0 H ARG A 83 -7.645 -3.485 2.360 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.198 -3.990 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.333 -4.235 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.577 -5.737 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.864 -6.570 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.552 -5.116 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.743 -6.671 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.296 -5.780 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.119 -8.383 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.266 -6.309 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.092 -7.459 -2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.618 -9.854 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.727 -9.451 -1.533 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.911 -6.238 4.159 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.622 -7.341 5.063 1.00 0.00 C ATOM 1364 C TYR A 84 -7.800 -6.889 6.509 1.00 0.00 C ATOM 1365 O TYR A 84 -8.242 -7.655 7.363 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.200 -7.868 4.842 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.986 -9.267 5.377 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.633 -9.488 6.705 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -6.141 -10.370 4.548 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.443 -10.769 7.187 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -5.953 -11.653 5.023 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.604 -11.848 6.342 1.00 0.00 C ATOM 1373 OH TYR A 84 -5.417 -13.127 6.816 1.00 0.00 O ATOM 0 H TYR A 84 -7.114 -5.928 3.603 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.321 -8.151 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.979 -7.858 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.492 -7.192 5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.506 -8.646 7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.413 -10.222 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.170 -10.925 8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.079 -12.499 4.364 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.462 -13.347 6.796 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.474 -5.630 6.772 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.661 -5.056 8.094 1.00 0.00 C ATOM 1385 C ALA A 85 -9.142 -4.852 8.387 1.00 0.00 C ATOM 1386 O ALA A 85 -9.565 -4.885 9.539 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.904 -3.747 8.219 1.00 0.00 C ATOM 0 H ALA A 85 -7.079 -4.988 6.085 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.262 -5.754 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.056 -3.332 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.841 -3.925 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.271 -3.042 7.473 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.926 -4.641 7.343 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.371 -4.543 7.484 1.00 0.00 C ATOM 1395 C ILE A 86 -11.957 -5.924 7.780 1.00 0.00 C ATOM 1396 O ILE A 86 -12.862 -6.069 8.603 1.00 0.00 O ATOM 1397 CB ILE A 86 -12.025 -3.955 6.212 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.445 -2.570 5.908 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.536 -3.873 6.376 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.973 -1.948 4.632 1.00 0.00 C ATOM 0 H ILE A 86 -9.587 -4.534 6.387 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.585 -3.869 8.313 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.806 -4.617 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.665 -1.904 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.360 -2.649 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.978 -3.457 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.938 -4.871 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.776 -3.232 7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.515 -0.970 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.730 -2.591 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.055 -1.835 4.703 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.408 -6.936 7.116 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.823 -8.319 7.322 1.00 0.00 C ATOM 1414 C VAL A 87 -11.433 -8.802 8.720 1.00 0.00 C ATOM 1415 O VAL A 87 -12.155 -9.581 9.345 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.200 -9.250 6.254 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.620 -10.695 6.472 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.593 -8.801 4.857 1.00 0.00 C ATOM 0 H VAL A 87 -10.667 -6.822 6.424 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.908 -8.355 7.227 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.116 -9.188 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.167 -11.325 5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.289 -11.025 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.705 -10.772 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.145 -9.468 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.678 -8.828 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.238 -7.784 4.688 1.00 0.00 H new ATOM 1428 N THR A 88 -10.295 -8.325 9.213 1.00 0.00 N ATOM 1429 CA THR A 88 -9.837 -8.675 10.553 1.00 0.00 C ATOM 1430 C THR A 88 -10.560 -7.847 11.619 1.00 0.00 C ATOM 1431 O THR A 88 -10.434 -8.107 12.816 1.00 0.00 O ATOM 1432 CB THR A 88 -8.311 -8.491 10.691 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.915 -7.235 10.131 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.561 -9.614 9.993 1.00 0.00 C ATOM 0 H THR A 88 -9.673 -7.696 8.705 1.00 0.00 H new ATOM 0 HA THR A 88 -10.074 -9.727 10.709 1.00 0.00 H new ATOM 0 HB THR A 88 -8.064 -8.513 11.752 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.672 -6.613 10.156 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.488 -9.460 10.106 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.839 -10.569 10.438 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.818 -9.619 8.934 1.00 0.00 H new ATOM 1442 N GLY A 89 -11.322 -6.853 11.174 1.00 0.00 N ATOM 1443 CA GLY A 89 -12.110 -6.051 12.091 1.00 0.00 C ATOM 1444 C GLY A 89 -11.313 -4.927 12.721 1.00 0.00 C ATOM 1445 O GLY A 89 -11.721 -4.358 13.734 1.00 0.00 O ATOM 0 H GLY A 89 -11.408 -6.588 10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.963 -5.631 11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.509 -6.692 12.877 1.00 0.00 H new ATOM 1449 N ARG A 90 -10.176 -4.603 12.120 1.00 0.00 N ATOM 1450 CA ARG A 90 -9.320 -3.539 12.626 1.00 0.00 C ATOM 1451 C ARG A 90 -9.670 -2.209 11.976 1.00 0.00 C ATOM 1452 O ARG A 90 -10.125 -1.280 12.638 1.00 0.00 O ATOM 1453 CB ARG A 90 -7.846 -3.861 12.377 1.00 0.00 C ATOM 1454 CG ARG A 90 -7.343 -5.072 13.141 1.00 0.00 C ATOM 1455 CD ARG A 90 -5.861 -5.297 12.895 1.00 0.00 C ATOM 1456 NE ARG A 90 -5.333 -6.413 13.674 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.116 -6.428 14.217 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.326 -5.366 14.107 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.691 -7.499 14.877 1.00 0.00 N ATOM 0 H ARG A 90 -9.825 -5.063 11.280 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.487 -3.462 13.700 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.696 -4.029 11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.244 -2.995 12.651 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.521 -4.933 14.207 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.904 -5.956 12.837 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.696 -5.487 11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.312 -4.390 13.146 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.930 -7.229 13.811 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.651 -4.538 13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.395 -5.378 14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.297 -8.314 14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.759 -7.506 15.291 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.465 -2.127 10.674 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.706 -0.892 9.948 1.00 0.00 C ATOM 1475 C ALA A 91 -11.182 -0.754 9.620 1.00 0.00 C ATOM 1476 O ALA A 91 -11.755 -1.585 8.919 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.860 -0.827 8.686 1.00 0.00 C ATOM 0 H ALA A 91 -9.132 -2.900 10.097 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.415 -0.057 10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.060 0.107 8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.804 -0.875 8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.109 -1.667 8.038 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.793 0.290 10.148 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.215 0.524 9.952 1.00 0.00 C ATOM 1485 C LYS A 92 -13.426 1.582 8.877 1.00 0.00 C ATOM 1486 O LYS A 92 -14.531 1.770 8.367 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.839 0.949 11.281 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.485 -0.003 12.415 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.015 0.474 13.752 1.00 0.00 C ATOM 1490 CE LYS A 92 -13.534 -0.422 14.882 1.00 0.00 C ATOM 1491 NZ LYS A 92 -14.147 -0.055 16.185 1.00 0.00 N ATOM 0 H LYS A 92 -11.325 0.994 10.719 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.701 -0.392 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.501 1.954 11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.923 0.995 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.891 -0.991 12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.402 -0.109 12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.689 1.498 13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.105 0.486 13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.773 -1.459 14.649 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.449 -0.355 14.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.792 -0.691 16.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.898 0.927 16.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.181 -0.144 16.119 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.344 2.276 8.556 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.324 3.241 7.472 1.00 0.00 C ATOM 1507 C TYR A 93 -10.943 3.251 6.832 1.00 0.00 C ATOM 1508 O TYR A 93 -9.932 3.328 7.530 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.683 4.648 7.974 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.477 5.729 6.936 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.353 5.871 5.866 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.396 6.598 7.017 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.159 6.849 4.910 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.194 7.577 6.062 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.078 7.698 5.011 1.00 0.00 C ATOM 1516 OH TYR A 93 -11.872 8.667 4.055 1.00 0.00 O ATOM 0 H TYR A 93 -11.453 2.184 9.043 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.071 2.950 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.725 4.656 8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.078 4.878 8.851 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.199 5.206 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.702 6.507 7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.851 6.948 4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.348 8.244 6.139 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.067 9.180 4.277 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.903 3.149 5.517 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.651 3.245 4.787 1.00 0.00 C ATOM 1528 C ASN A 94 -9.642 4.527 3.962 1.00 0.00 C ATOM 1529 O ASN A 94 -10.628 4.859 3.306 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.433 2.008 3.897 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.520 1.800 2.851 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.678 2.160 3.050 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.151 1.203 1.729 1.00 0.00 N ATOM 0 H ASN A 94 -11.724 2.999 4.931 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.826 3.278 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.471 2.100 3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.378 1.122 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.837 1.028 0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.180 0.918 1.598 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.530 5.272 3.988 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.429 6.576 3.320 1.00 0.00 C ATOM 1542 C PRO A 95 -8.268 6.463 1.805 1.00 0.00 C ATOM 1543 O PRO A 95 -7.684 7.336 1.169 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.171 7.184 3.946 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.326 6.010 4.300 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.280 4.912 4.686 1.00 0.00 C ATOM 0 HA PRO A 95 -9.333 7.171 3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.659 7.845 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.414 7.779 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.705 5.708 3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.652 6.248 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.914 3.935 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.423 4.867 5.766 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.815 5.400 1.227 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.714 5.170 -0.209 1.00 0.00 C ATOM 1556 C ALA A 96 -9.513 6.209 -1.019 1.00 0.00 C ATOM 1557 O ALA A 96 -8.984 6.769 -1.981 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.146 3.751 -0.562 1.00 0.00 C ATOM 0 H ALA A 96 -9.334 4.682 1.732 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.666 5.289 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.062 3.602 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.505 3.036 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.180 3.598 -0.254 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.794 6.482 -0.670 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.588 7.508 -1.363 1.00 0.00 C ATOM 1566 C PRO A 97 -10.995 8.907 -1.194 1.00 0.00 C ATOM 1567 O PRO A 97 -10.921 9.687 -2.150 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.966 7.430 -0.692 1.00 0.00 C ATOM 1569 CG PRO A 97 -13.000 6.101 -0.020 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.586 5.813 0.383 1.00 0.00 C ATOM 0 HA PRO A 97 -11.619 7.332 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.100 8.238 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.767 7.521 -1.426 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.659 6.118 0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.380 5.332 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.360 6.212 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.387 4.742 0.418 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.563 9.219 0.022 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.978 10.525 0.313 1.00 0.00 C ATOM 1580 C ASP A 98 -8.653 10.692 -0.421 1.00 0.00 C ATOM 1581 O ASP A 98 -8.311 11.787 -0.865 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.779 10.702 1.819 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.301 12.097 2.177 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -9.974 13.078 1.795 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -8.255 12.223 2.845 1.00 0.00 O ATOM 0 H ASP A 98 -10.606 8.588 0.822 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.667 11.294 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.718 10.499 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.055 9.970 2.176 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.926 9.586 -0.564 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.669 9.561 -1.310 1.00 0.00 C ATOM 1592 C LEU A 99 -6.893 10.075 -2.731 1.00 0.00 C ATOM 1593 O LEU A 99 -6.077 10.826 -3.266 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.115 8.123 -1.331 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.654 7.950 -1.769 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -4.512 8.022 -3.283 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.777 8.993 -1.100 1.00 0.00 C ATOM 0 H LEU A 99 -8.190 8.684 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.943 10.212 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.222 7.703 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.741 7.527 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.326 6.959 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.465 7.896 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.105 7.231 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.865 8.991 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.744 8.859 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.117 9.989 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.840 8.881 -0.018 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.012 9.679 -3.326 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.349 10.098 -4.681 1.00 0.00 C ATOM 1611 C ALA A 100 -8.611 11.599 -4.736 1.00 0.00 C ATOM 1612 O ALA A 100 -8.094 12.296 -5.609 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.560 9.328 -5.190 1.00 0.00 C ATOM 0 H ALA A 100 -8.702 9.067 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.499 9.877 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.798 9.653 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.337 8.261 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.412 9.518 -4.538 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.402 12.092 -3.786 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.734 13.515 -3.723 1.00 0.00 C ATOM 1621 C ASP A 101 -8.490 14.354 -3.460 1.00 0.00 C ATOM 1622 O ASP A 101 -8.311 15.427 -4.043 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.776 13.769 -2.635 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.056 15.244 -2.414 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.646 15.885 -3.310 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.710 15.763 -1.329 1.00 0.00 O ATOM 0 H ASP A 101 -9.825 11.528 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.148 13.808 -4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.704 13.265 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.432 13.326 -1.700 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.632 13.853 -2.584 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.376 14.517 -2.277 1.00 0.00 C ATOM 1633 C ALA A 102 -5.489 14.571 -3.513 1.00 0.00 C ATOM 1634 O ALA A 102 -4.906 15.606 -3.816 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.661 13.804 -1.138 1.00 0.00 C ATOM 0 H ALA A 102 -7.785 12.984 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.592 15.538 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.723 14.314 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.293 13.813 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.455 12.773 -1.426 1.00 0.00 H new ATOM 1641 N MET A 103 -5.411 13.450 -4.226 1.00 0.00 N ATOM 1642 CA MET A 103 -4.629 13.349 -5.457 1.00 0.00 C ATOM 1643 C MET A 103 -5.071 14.394 -6.478 1.00 0.00 C ATOM 1644 O MET A 103 -4.244 15.082 -7.080 1.00 0.00 O ATOM 1645 CB MET A 103 -4.783 11.949 -6.060 1.00 0.00 C ATOM 1646 CG MET A 103 -3.870 11.680 -7.246 1.00 0.00 C ATOM 1647 SD MET A 103 -4.302 10.166 -8.126 1.00 0.00 S ATOM 1648 CE MET A 103 -4.157 8.957 -6.815 1.00 0.00 C ATOM 0 H MET A 103 -5.888 12.586 -3.967 1.00 0.00 H new ATOM 0 HA MET A 103 -3.583 13.530 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.583 11.208 -5.286 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.818 11.812 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.919 12.523 -7.935 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.839 11.612 -6.898 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.713 8.043 -7.210 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.524 9.355 -6.022 1.00 0.00 H new ATOM 0 HE3 MET A 103 -5.146 8.735 -6.414 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.381 14.511 -6.657 1.00 0.00 N ATOM 1659 CA LYS A 104 -6.953 15.441 -7.627 1.00 0.00 C ATOM 1660 C LYS A 104 -6.550 16.880 -7.322 1.00 0.00 C ATOM 1661 O LYS A 104 -6.099 17.613 -8.204 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.482 15.325 -7.644 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.002 13.993 -8.163 1.00 0.00 C ATOM 1664 CD LYS A 104 -8.701 13.809 -9.642 1.00 0.00 C ATOM 1665 CE LYS A 104 -9.346 12.542 -10.187 1.00 0.00 C ATOM 1666 NZ LYS A 104 -9.114 12.381 -11.645 1.00 0.00 N ATOM 0 H LYS A 104 -7.073 13.969 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.560 15.175 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.858 15.479 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.889 16.126 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.549 13.180 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.078 13.934 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.064 14.673 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.622 13.764 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.947 11.676 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.418 12.568 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.570 11.506 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.517 13.194 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.092 12.330 -11.830 1.00 0.00 H new