USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 748 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 9 HIS : no HD1:sc= -0.103 X(o=-0.086,f=-0.004) USER MOD Set 1.2: A 65 TYR OH : rot 39:sc= 0.0162 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.614 USER MOD Single : A 14 GLN : amide:sc=-0.00049 X(o=-0.00049,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0202 (180deg=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= -0.0175 (180deg=-0.0175) USER MOD Single : A 69 GLN : amide:sc= -6.84! C(o=-6.8!,f=-7.8!) USER MOD Single : A 70 MET CE :methyl 175:sc= -0.401 (180deg=-0.425) USER MOD Single : A 79 ASN : amide:sc= -1.04 K(o=-1,f=-3.7!) USER MOD Single : A 88 THR OG1 : rot 76:sc= -1.23 USER MOD Single : A 105 SER OG : rot 180:sc= -0.618 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 116 SER OG : rot 78:sc= -0.931 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.893 7.416 -9.670 1.00 0.00 N ATOM 15 CA ILE A 3 -0.183 7.366 -8.398 1.00 0.00 C ATOM 16 C ILE A 3 0.650 6.089 -8.288 1.00 0.00 C ATOM 17 O ILE A 3 0.842 5.382 -9.278 1.00 0.00 O ATOM 18 CB ILE A 3 -1.159 7.458 -7.205 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.032 6.204 -7.113 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.027 8.702 -7.332 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.006 6.052 -8.261 1.00 0.00 C ATOM 0 HA ILE A 3 0.484 8.227 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.573 7.529 -6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.387 5.326 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.589 6.229 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.711 8.756 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.393 9.588 -7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.599 8.653 -8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.589 5.141 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.676 6.911 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.455 5.994 -9.200 1.00 0.00 H new ATOM 33 N GLU A 4 1.151 5.800 -7.089 1.00 0.00 N ATOM 34 CA GLU A 4 1.970 4.610 -6.880 1.00 0.00 C ATOM 35 C GLU A 4 1.599 3.884 -5.588 1.00 0.00 C ATOM 36 O GLU A 4 1.127 4.495 -4.625 1.00 0.00 O ATOM 37 CB GLU A 4 3.452 4.987 -6.862 1.00 0.00 C ATOM 38 CG GLU A 4 4.170 4.697 -8.169 1.00 0.00 C ATOM 39 CD GLU A 4 4.444 5.951 -8.977 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.642 6.905 -8.881 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.459 5.980 -9.703 1.00 0.00 O ATOM 0 H GLU A 4 1.006 6.368 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 4 1.778 3.929 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.545 6.049 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.947 4.443 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.113 4.193 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.569 4.010 -8.765 1.00 0.00 H new ATOM 48 N TRP A 5 1.830 2.572 -5.579 1.00 0.00 N ATOM 49 CA TRP A 5 1.537 1.743 -4.415 1.00 0.00 C ATOM 50 C TRP A 5 2.796 1.519 -3.584 1.00 0.00 C ATOM 51 O TRP A 5 3.594 0.629 -3.882 1.00 0.00 O ATOM 52 CB TRP A 5 0.980 0.387 -4.856 1.00 0.00 C ATOM 53 CG TRP A 5 -0.478 0.404 -5.204 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.020 0.491 -6.454 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.581 0.317 -4.295 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.392 0.459 -6.379 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.761 0.354 -5.062 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.687 0.210 -2.905 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.026 0.288 -4.488 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.946 0.145 -2.337 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.100 0.183 -3.127 1.00 0.00 C ATOM 0 H TRP A 5 2.221 2.060 -6.370 1.00 0.00 H new ATOM 0 HA TRP A 5 0.795 2.263 -3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.544 0.039 -5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.143 -0.337 -4.057 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.453 0.573 -7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.031 0.506 -7.173 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.802 0.179 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.918 0.319 -5.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.040 0.063 -1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.069 0.128 -2.652 1.00 0.00 H new ATOM 72 N TYR A 6 2.973 2.321 -2.541 1.00 0.00 N ATOM 73 CA TYR A 6 4.141 2.193 -1.677 1.00 0.00 C ATOM 74 C TYR A 6 3.888 1.170 -0.576 1.00 0.00 C ATOM 75 O TYR A 6 2.925 1.283 0.182 1.00 0.00 O ATOM 76 CB TYR A 6 4.505 3.547 -1.067 1.00 0.00 C ATOM 77 CG TYR A 6 5.369 4.394 -1.972 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.801 5.186 -2.961 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.752 4.395 -1.844 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.587 5.958 -3.796 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.544 5.163 -2.675 1.00 0.00 C ATOM 82 CZ TYR A 6 6.957 5.942 -3.649 1.00 0.00 C ATOM 83 OH TYR A 6 7.743 6.706 -4.480 1.00 0.00 O ATOM 0 H TYR A 6 2.327 3.063 -2.274 1.00 0.00 H new ATOM 0 HA TYR A 6 4.977 1.846 -2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.590 4.092 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.027 3.385 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.728 5.199 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.216 3.785 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.130 6.570 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.618 5.153 -2.562 1.00 0.00 H new ATOM 0 HH TYR A 6 8.686 6.582 -4.244 1.00 0.00 H new ATOM 93 N ALA A 7 4.753 0.163 -0.501 1.00 0.00 N ATOM 94 CA ALA A 7 4.616 -0.886 0.501 1.00 0.00 C ATOM 95 C ALA A 7 5.658 -0.746 1.605 1.00 0.00 C ATOM 96 O ALA A 7 6.688 -0.097 1.426 1.00 0.00 O ATOM 97 CB ALA A 7 4.724 -2.256 -0.155 1.00 0.00 C ATOM 0 H ALA A 7 5.555 0.052 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 7 3.632 -0.784 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.620 -3.032 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.934 -2.367 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.695 -2.351 -0.641 1.00 0.00 H new ATOM 103 N VAL A 8 5.377 -1.361 2.749 1.00 0.00 N ATOM 104 CA VAL A 8 6.282 -1.315 3.891 1.00 0.00 C ATOM 105 C VAL A 8 6.317 -2.659 4.609 1.00 0.00 C ATOM 106 O VAL A 8 5.415 -3.481 4.449 1.00 0.00 O ATOM 107 CB VAL A 8 5.874 -0.219 4.893 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.982 0.019 5.907 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.523 1.071 4.165 1.00 0.00 C ATOM 0 H VAL A 8 4.526 -1.899 2.910 1.00 0.00 H new ATOM 0 HA VAL A 8 7.274 -1.083 3.502 1.00 0.00 H new ATOM 0 HB VAL A 8 4.988 -0.558 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.675 0.797 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.179 -0.903 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.888 0.334 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.238 1.832 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.388 1.416 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.692 0.890 3.484 1.00 0.00 H new ATOM 119 N HIS A 9 7.363 -2.879 5.399 1.00 0.00 N ATOM 120 CA HIS A 9 7.511 -4.129 6.138 1.00 0.00 C ATOM 121 C HIS A 9 6.833 -4.041 7.501 1.00 0.00 C ATOM 122 O HIS A 9 6.982 -3.051 8.218 1.00 0.00 O ATOM 123 CB HIS A 9 8.990 -4.471 6.310 1.00 0.00 C ATOM 124 CG HIS A 9 9.662 -4.872 5.033 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.417 -6.017 4.906 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.684 -4.271 3.819 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.876 -6.105 3.671 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.447 -5.058 2.991 1.00 0.00 N ATOM 0 H HIS A 9 8.119 -2.210 5.544 1.00 0.00 H new ATOM 0 HA HIS A 9 7.027 -4.920 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.508 -3.608 6.729 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.086 -5.282 7.032 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.194 -3.346 3.552 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.497 -6.899 3.283 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.649 -4.865 2.010 1.00 0.00 H new ATOM 137 N THR A 10 6.088 -5.083 7.854 1.00 0.00 N ATOM 138 CA THR A 10 5.385 -5.126 9.132 1.00 0.00 C ATOM 139 C THR A 10 5.472 -6.516 9.755 1.00 0.00 C ATOM 140 O THR A 10 5.756 -7.498 9.068 1.00 0.00 O ATOM 141 CB THR A 10 3.919 -4.729 8.948 1.00 0.00 C ATOM 142 OG1 THR A 10 3.180 -5.792 8.374 1.00 0.00 O ATOM 143 CG2 THR A 10 3.733 -3.512 8.069 1.00 0.00 C ATOM 0 H THR A 10 5.955 -5.910 7.272 1.00 0.00 H new ATOM 0 HA THR A 10 5.865 -4.415 9.804 1.00 0.00 H new ATOM 0 HB THR A 10 3.557 -4.492 9.948 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.443 -5.427 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.670 -3.286 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.250 -2.661 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.145 -3.711 7.080 1.00 0.00 H new ATOM 151 N LEU A 11 5.227 -6.592 11.057 1.00 0.00 N ATOM 152 CA LEU A 11 5.277 -7.863 11.773 1.00 0.00 C ATOM 153 C LEU A 11 3.911 -8.543 11.770 1.00 0.00 C ATOM 154 O LEU A 11 2.876 -7.878 11.717 1.00 0.00 O ATOM 155 CB LEU A 11 5.753 -7.645 13.212 1.00 0.00 C ATOM 156 CG LEU A 11 7.003 -8.432 13.606 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.259 -7.653 13.249 1.00 0.00 C ATOM 158 CD2 LEU A 11 6.981 -8.757 15.093 1.00 0.00 C ATOM 0 H LEU A 11 4.991 -5.789 11.640 1.00 0.00 H new ATOM 0 HA LEU A 11 5.986 -8.513 11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.950 -6.583 13.356 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.944 -7.914 13.891 1.00 0.00 H new ATOM 0 HG LEU A 11 7.010 -9.369 13.048 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.138 -8.229 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.281 -7.470 12.175 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.259 -6.701 13.779 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.878 -9.317 15.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.950 -7.831 15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.099 -9.356 15.322 1.00 0.00 H new ATOM 170 N VAL A 12 3.915 -9.870 11.828 1.00 0.00 N ATOM 171 CA VAL A 12 2.677 -10.639 11.834 1.00 0.00 C ATOM 172 C VAL A 12 1.884 -10.388 13.114 1.00 0.00 C ATOM 173 O VAL A 12 2.412 -10.515 14.218 1.00 0.00 O ATOM 174 CB VAL A 12 2.951 -12.150 11.695 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.772 -12.658 12.872 1.00 0.00 C ATOM 176 CG2 VAL A 12 1.648 -12.923 11.569 1.00 0.00 C ATOM 0 H VAL A 12 4.763 -10.436 11.872 1.00 0.00 H new ATOM 0 HA VAL A 12 2.092 -10.307 10.976 1.00 0.00 H new ATOM 0 HB VAL A 12 3.529 -12.311 10.785 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.954 -13.726 12.754 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.724 -12.129 12.907 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.226 -12.483 13.799 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.864 -13.987 11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.039 -12.756 12.457 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.106 -12.581 10.687 1.00 0.00 H new ATOM 186 N GLY A 13 0.614 -10.031 12.956 1.00 0.00 N ATOM 187 CA GLY A 13 -0.231 -9.767 14.107 1.00 0.00 C ATOM 188 C GLY A 13 -0.294 -8.293 14.454 1.00 0.00 C ATOM 189 O GLY A 13 -1.265 -7.831 15.053 1.00 0.00 O ATOM 0 H GLY A 13 0.154 -9.920 12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.238 -10.133 13.906 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.145 -10.323 14.965 1.00 0.00 H new ATOM 193 N GLN A 14 0.745 -7.552 14.079 1.00 0.00 N ATOM 194 CA GLN A 14 0.802 -6.121 14.355 1.00 0.00 C ATOM 195 C GLN A 14 0.191 -5.320 13.209 1.00 0.00 C ATOM 196 O GLN A 14 -0.309 -4.212 13.412 1.00 0.00 O ATOM 197 CB GLN A 14 2.251 -5.683 14.589 1.00 0.00 C ATOM 198 CG GLN A 14 2.574 -5.406 16.048 1.00 0.00 C ATOM 199 CD GLN A 14 3.614 -4.316 16.219 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.405 -3.355 16.959 1.00 0.00 O ATOM 201 NE2 GLN A 14 4.742 -4.461 15.534 1.00 0.00 N ATOM 0 H GLN A 14 1.558 -7.919 13.584 1.00 0.00 H new ATOM 0 HA GLN A 14 0.222 -5.926 15.257 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.921 -6.459 14.218 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.449 -4.785 14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.662 -5.117 16.570 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.933 -6.322 16.517 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.872 -5.274 14.932 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.478 -3.759 15.610 1.00 0.00 H new ATOM 210 N GLU A 15 0.230 -5.886 12.007 1.00 0.00 N ATOM 211 CA GLU A 15 -0.321 -5.223 10.830 1.00 0.00 C ATOM 212 C GLU A 15 -1.791 -4.871 11.039 1.00 0.00 C ATOM 213 O GLU A 15 -2.241 -3.790 10.661 1.00 0.00 O ATOM 214 CB GLU A 15 -0.170 -6.117 9.597 1.00 0.00 C ATOM 215 CG GLU A 15 -0.698 -7.529 9.802 1.00 0.00 C ATOM 216 CD GLU A 15 -2.033 -7.758 9.119 1.00 0.00 C ATOM 217 OE1 GLU A 15 -2.036 -8.026 7.899 1.00 0.00 O ATOM 218 OE2 GLU A 15 -3.072 -7.671 9.805 1.00 0.00 O ATOM 0 H GLU A 15 0.638 -6.803 11.822 1.00 0.00 H new ATOM 0 HA GLU A 15 0.236 -4.299 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.696 -5.659 8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.884 -6.168 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.030 -8.244 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.802 -7.722 10.870 1.00 0.00 H new ATOM 225 N GLU A 16 -2.535 -5.791 11.647 1.00 0.00 N ATOM 226 CA GLU A 16 -3.955 -5.579 11.909 1.00 0.00 C ATOM 227 C GLU A 16 -4.179 -4.290 12.692 1.00 0.00 C ATOM 228 O GLU A 16 -5.148 -3.566 12.457 1.00 0.00 O ATOM 229 CB GLU A 16 -4.536 -6.764 12.682 1.00 0.00 C ATOM 230 CG GLU A 16 -3.864 -7.003 14.024 1.00 0.00 C ATOM 231 CD GLU A 16 -3.858 -8.466 14.420 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.365 -9.295 13.626 1.00 0.00 O ATOM 233 OE2 GLU A 16 -4.347 -8.785 15.525 1.00 0.00 O ATOM 0 H GLU A 16 -2.178 -6.691 11.968 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.465 -5.494 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.601 -6.595 12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.444 -7.664 12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.838 -6.637 13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.378 -6.425 14.792 1.00 0.00 H new ATOM 240 N LYS A 17 -3.276 -4.007 13.625 1.00 0.00 N ATOM 241 CA LYS A 17 -3.372 -2.803 14.444 1.00 0.00 C ATOM 242 C LYS A 17 -2.708 -1.620 13.749 1.00 0.00 C ATOM 243 O LYS A 17 -3.108 -0.470 13.941 1.00 0.00 O ATOM 244 CB LYS A 17 -2.724 -3.037 15.809 1.00 0.00 C ATOM 245 CG LYS A 17 -2.860 -1.854 16.755 1.00 0.00 C ATOM 246 CD LYS A 17 -1.604 -1.662 17.589 1.00 0.00 C ATOM 247 CE LYS A 17 -1.547 -2.644 18.746 1.00 0.00 C ATOM 248 NZ LYS A 17 -0.554 -2.235 19.776 1.00 0.00 N ATOM 0 H LYS A 17 -2.469 -4.595 13.833 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.428 -2.573 14.586 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.175 -3.915 16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.666 -3.259 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.059 -0.949 16.181 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.715 -2.009 17.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.724 -1.790 16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.574 -0.643 17.974 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.533 -2.722 19.204 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.291 -3.634 18.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.547 -2.932 20.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.392 -2.185 19.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.812 -1.302 20.155 1.00 0.00 H new ATOM 262 N ALA A 18 -1.693 -1.907 12.941 1.00 0.00 N ATOM 263 CA ALA A 18 -0.974 -0.865 12.217 1.00 0.00 C ATOM 264 C ALA A 18 -1.881 -0.179 11.202 1.00 0.00 C ATOM 265 O ALA A 18 -1.780 1.028 10.980 1.00 0.00 O ATOM 266 CB ALA A 18 0.249 -1.449 11.528 1.00 0.00 C ATOM 0 H ALA A 18 -1.350 -2.852 12.771 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.646 -0.115 12.937 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.776 -0.660 10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.913 -1.886 12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.064 -2.220 10.824 1.00 0.00 H new ATOM 272 N LYS A 19 -2.768 -0.956 10.589 1.00 0.00 N ATOM 273 CA LYS A 19 -3.694 -0.424 9.596 1.00 0.00 C ATOM 274 C LYS A 19 -4.576 0.662 10.206 1.00 0.00 C ATOM 275 O LYS A 19 -4.798 1.709 9.598 1.00 0.00 O ATOM 276 CB LYS A 19 -4.566 -1.544 9.027 1.00 0.00 C ATOM 277 CG LYS A 19 -5.360 -1.134 7.798 1.00 0.00 C ATOM 278 CD LYS A 19 -6.752 -0.653 8.168 1.00 0.00 C ATOM 279 CE LYS A 19 -7.464 -0.030 6.977 1.00 0.00 C ATOM 280 NZ LYS A 19 -8.737 0.632 7.373 1.00 0.00 N ATOM 0 H LYS A 19 -2.865 -1.956 10.763 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.109 0.016 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.932 -2.393 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.257 -1.883 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.830 -0.343 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.436 -1.979 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.338 -1.490 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.683 0.077 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.808 0.700 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.672 -0.801 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.190 1.043 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.374 -0.069 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.537 1.385 8.062 1.00 0.00 H new ATOM 294 N ALA A 20 -5.071 0.405 11.412 1.00 0.00 N ATOM 295 CA ALA A 20 -5.926 1.362 12.105 1.00 0.00 C ATOM 296 C ALA A 20 -5.099 2.479 12.731 1.00 0.00 C ATOM 297 O ALA A 20 -5.466 3.652 12.656 1.00 0.00 O ATOM 298 CB ALA A 20 -6.753 0.655 13.168 1.00 0.00 C ATOM 0 H ALA A 20 -4.895 -0.456 11.929 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.600 1.809 11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.387 1.380 13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.377 -0.105 12.698 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.088 0.182 13.891 1.00 0.00 H new ATOM 304 N ASN A 21 -3.982 2.106 13.348 1.00 0.00 N ATOM 305 CA ASN A 21 -3.103 3.078 13.986 1.00 0.00 C ATOM 306 C ASN A 21 -2.601 4.104 12.975 1.00 0.00 C ATOM 307 O ASN A 21 -2.363 5.262 13.313 1.00 0.00 O ATOM 308 CB ASN A 21 -1.916 2.368 14.644 1.00 0.00 C ATOM 309 CG ASN A 21 -2.043 2.310 16.153 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.656 1.394 16.701 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.463 3.291 16.834 1.00 0.00 N ATOM 0 H ASN A 21 -3.665 1.139 13.419 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.675 3.601 14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.838 1.355 14.249 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.994 2.886 14.379 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.515 3.305 17.853 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.965 4.031 16.339 1.00 0.00 H new ATOM 318 N LEU A 22 -2.446 3.668 11.728 1.00 0.00 N ATOM 319 CA LEU A 22 -1.974 4.547 10.664 1.00 0.00 C ATOM 320 C LEU A 22 -3.122 5.371 10.090 1.00 0.00 C ATOM 321 O LEU A 22 -3.075 6.602 10.092 1.00 0.00 O ATOM 322 CB LEU A 22 -1.314 3.726 9.553 1.00 0.00 C ATOM 323 CG LEU A 22 -0.842 4.536 8.344 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.439 5.287 8.673 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.635 3.624 7.143 1.00 0.00 C ATOM 0 H LEU A 22 -2.640 2.712 11.430 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.238 5.230 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.459 3.196 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.021 2.970 9.211 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.612 5.266 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.760 5.858 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.259 5.967 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.218 4.575 8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.299 4.215 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.117 2.872 7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.575 3.131 6.895 1.00 0.00 H new ATOM 337 N GLU A 23 -4.151 4.685 9.598 1.00 0.00 N ATOM 338 CA GLU A 23 -5.313 5.352 9.016 1.00 0.00 C ATOM 339 C GLU A 23 -5.801 6.496 9.901 1.00 0.00 C ATOM 340 O GLU A 23 -6.087 7.590 9.414 1.00 0.00 O ATOM 341 CB GLU A 23 -6.446 4.347 8.800 1.00 0.00 C ATOM 342 CG GLU A 23 -7.270 4.616 7.552 1.00 0.00 C ATOM 343 CD GLU A 23 -8.570 5.334 7.856 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.445 4.728 8.508 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.714 6.506 7.442 1.00 0.00 O ATOM 0 H GLU A 23 -4.204 3.666 9.591 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.009 5.770 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.023 3.344 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.104 4.362 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.683 5.214 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.489 3.671 7.055 1.00 0.00 H new ATOM 352 N LYS A 24 -5.892 6.240 11.202 1.00 0.00 N ATOM 353 CA LYS A 24 -6.345 7.253 12.147 1.00 0.00 C ATOM 354 C LYS A 24 -5.409 8.458 12.137 1.00 0.00 C ATOM 355 O LYS A 24 -5.857 9.604 12.168 1.00 0.00 O ATOM 356 CB LYS A 24 -6.431 6.665 13.557 1.00 0.00 C ATOM 357 CG LYS A 24 -5.085 6.263 14.137 1.00 0.00 C ATOM 358 CD LYS A 24 -5.240 5.618 15.505 1.00 0.00 C ATOM 359 CE LYS A 24 -4.075 5.960 16.418 1.00 0.00 C ATOM 360 NZ LYS A 24 -4.392 5.697 17.849 1.00 0.00 N ATOM 0 H LYS A 24 -5.659 5.342 11.625 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.338 7.584 11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.897 7.396 14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.083 5.792 13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.588 5.568 13.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.445 7.142 14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.172 5.952 15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.310 4.536 15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.202 5.376 16.127 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.812 7.010 16.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.571 5.944 18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.209 6.274 18.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.618 4.690 17.975 1.00 0.00 H new ATOM 374 N ARG A 25 -4.109 8.191 12.088 1.00 0.00 N ATOM 375 CA ARG A 25 -3.112 9.255 12.067 1.00 0.00 C ATOM 376 C ARG A 25 -3.221 10.071 10.784 1.00 0.00 C ATOM 377 O ARG A 25 -3.158 11.300 10.809 1.00 0.00 O ATOM 378 CB ARG A 25 -1.705 8.667 12.194 1.00 0.00 C ATOM 379 CG ARG A 25 -1.370 8.188 13.598 1.00 0.00 C ATOM 380 CD ARG A 25 -1.264 9.347 14.576 1.00 0.00 C ATOM 381 NE ARG A 25 0.016 9.353 15.280 1.00 0.00 N ATOM 382 CZ ARG A 25 0.269 10.104 16.350 1.00 0.00 C ATOM 383 NH1 ARG A 25 -0.664 10.912 16.839 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.460 10.049 16.931 1.00 0.00 N ATOM 0 H ARG A 25 -3.721 7.248 12.062 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.299 9.914 12.915 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.605 7.832 11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.977 9.420 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.138 7.493 13.939 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.428 7.639 13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.387 10.287 14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.076 9.286 15.300 1.00 0.00 H new ATOM 0 HE ARG A 25 0.759 8.747 14.932 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.581 10.960 16.395 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.464 11.485 17.659 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.181 9.432 16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.655 10.624 17.751 1.00 0.00 H new ATOM 398 N ILE A 26 -3.392 9.376 9.664 1.00 0.00 N ATOM 399 CA ILE A 26 -3.518 10.029 8.366 1.00 0.00 C ATOM 400 C ILE A 26 -4.780 10.886 8.309 1.00 0.00 C ATOM 401 O ILE A 26 -4.836 11.876 7.582 1.00 0.00 O ATOM 402 CB ILE A 26 -3.554 8.993 7.221 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.336 8.069 7.305 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.600 9.687 5.866 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.020 8.782 7.085 1.00 0.00 C ATOM 0 H ILE A 26 -3.447 8.358 9.629 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.643 10.667 8.239 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.458 8.394 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.321 7.589 8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.439 7.277 6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.625 8.938 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.493 10.309 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.715 10.312 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.201 8.066 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.015 9.239 6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.894 9.556 7.842 1.00 0.00 H new ATOM 417 N LYS A 27 -5.790 10.499 9.080 1.00 0.00 N ATOM 418 CA LYS A 27 -7.051 11.233 9.115 1.00 0.00 C ATOM 419 C LYS A 27 -7.039 12.294 10.211 1.00 0.00 C ATOM 420 O LYS A 27 -7.697 13.327 10.096 1.00 0.00 O ATOM 421 CB LYS A 27 -8.218 10.270 9.339 1.00 0.00 C ATOM 422 CG LYS A 27 -9.581 10.911 9.145 1.00 0.00 C ATOM 423 CD LYS A 27 -10.690 10.050 9.727 1.00 0.00 C ATOM 424 CE LYS A 27 -11.923 10.050 8.837 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.791 9.092 7.705 1.00 0.00 N ATOM 0 H LYS A 27 -5.761 9.682 9.689 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.175 11.732 8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.121 9.429 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.156 9.866 10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.594 11.892 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.762 11.069 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.331 9.029 9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.956 10.418 10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.799 9.791 9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.088 11.054 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.652 9.122 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.970 9.353 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.659 8.130 8.078 1.00 0.00 H new ATOM 439 N ALA A 28 -6.290 12.028 11.277 1.00 0.00 N ATOM 440 CA ALA A 28 -6.197 12.960 12.395 1.00 0.00 C ATOM 441 C ALA A 28 -5.305 14.148 12.054 1.00 0.00 C ATOM 442 O ALA A 28 -5.664 15.298 12.310 1.00 0.00 O ATOM 443 CB ALA A 28 -5.673 12.244 13.631 1.00 0.00 C ATOM 0 H ALA A 28 -5.740 11.177 11.390 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.197 13.341 12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.608 12.949 14.460 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.352 11.433 13.897 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.684 11.836 13.423 1.00 0.00 H new ATOM 449 N PHE A 29 -4.143 13.864 11.476 1.00 0.00 N ATOM 450 CA PHE A 29 -3.199 14.911 11.102 1.00 0.00 C ATOM 451 C PHE A 29 -3.602 15.574 9.787 1.00 0.00 C ATOM 452 O PHE A 29 -3.193 16.698 9.498 1.00 0.00 O ATOM 453 CB PHE A 29 -1.788 14.335 10.983 1.00 0.00 C ATOM 454 CG PHE A 29 -1.101 14.146 12.306 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.833 15.235 13.122 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.724 12.884 12.733 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.201 15.064 14.339 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.091 12.707 13.948 1.00 0.00 C ATOM 459 CZ PHE A 29 0.170 13.799 14.752 1.00 0.00 C ATOM 0 H PHE A 29 -3.832 12.918 11.256 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.213 15.669 11.885 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.839 13.375 10.469 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.185 14.998 10.362 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.121 16.226 12.803 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.927 12.027 12.108 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.003 15.919 14.967 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.199 11.717 14.268 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.664 13.664 15.703 1.00 0.00 H new ATOM 469 N GLY A 30 -4.402 14.870 8.990 1.00 0.00 N ATOM 470 CA GLY A 30 -4.838 15.411 7.717 1.00 0.00 C ATOM 471 C GLY A 30 -3.865 15.096 6.598 1.00 0.00 C ATOM 472 O GLY A 30 -3.242 15.996 6.035 1.00 0.00 O ATOM 0 H GLY A 30 -4.755 13.937 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.819 15.005 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.952 16.492 7.803 1.00 0.00 H new ATOM 476 N LEU A 31 -3.732 13.812 6.279 1.00 0.00 N ATOM 477 CA LEU A 31 -2.825 13.375 5.225 1.00 0.00 C ATOM 478 C LEU A 31 -3.590 12.755 4.064 1.00 0.00 C ATOM 479 O LEU A 31 -3.055 11.921 3.331 1.00 0.00 O ATOM 480 CB LEU A 31 -1.824 12.364 5.779 1.00 0.00 C ATOM 481 CG LEU A 31 -0.585 12.971 6.435 1.00 0.00 C ATOM 482 CD1 LEU A 31 0.105 13.937 5.485 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.960 13.670 7.734 1.00 0.00 C ATOM 0 H LEU A 31 -4.242 13.056 6.736 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.291 14.251 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.333 11.736 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.503 11.711 4.967 1.00 0.00 H new ATOM 0 HG LEU A 31 0.112 12.166 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.985 14.359 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.408 13.406 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.583 14.740 5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.066 14.097 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.676 14.465 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.407 12.949 8.419 1.00 0.00 H new ATOM 495 N GLN A 32 -4.840 13.167 3.892 1.00 0.00 N ATOM 496 CA GLN A 32 -5.670 12.647 2.813 1.00 0.00 C ATOM 497 C GLN A 32 -5.349 13.333 1.486 1.00 0.00 C ATOM 498 O GLN A 32 -6.171 13.339 0.569 1.00 0.00 O ATOM 499 CB GLN A 32 -7.150 12.826 3.150 1.00 0.00 C ATOM 500 CG GLN A 32 -7.748 11.644 3.894 1.00 0.00 C ATOM 501 CD GLN A 32 -9.261 11.706 3.971 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.951 11.599 2.957 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.786 11.880 5.178 1.00 0.00 N ATOM 0 H GLN A 32 -5.300 13.858 4.484 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.453 11.584 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.271 13.725 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.708 12.985 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.451 10.720 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.338 11.610 4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.177 11.964 5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.798 11.930 5.291 1.00 0.00 H new ATOM 512 N ASP A 33 -4.150 13.902 1.383 1.00 0.00 N ATOM 513 CA ASP A 33 -3.727 14.576 0.164 1.00 0.00 C ATOM 514 C ASP A 33 -2.717 13.725 -0.600 1.00 0.00 C ATOM 515 O ASP A 33 -2.532 13.896 -1.805 1.00 0.00 O ATOM 516 CB ASP A 33 -3.120 15.940 0.493 1.00 0.00 C ATOM 517 CG ASP A 33 -4.127 16.882 1.124 1.00 0.00 C ATOM 518 OD1 ASP A 33 -4.448 16.697 2.316 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.595 17.806 0.424 1.00 0.00 O ATOM 0 H ASP A 33 -3.456 13.908 2.131 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.604 14.723 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.277 15.806 1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.727 16.390 -0.419 1.00 0.00 H new ATOM 524 N LYS A 34 -2.068 12.803 0.108 1.00 0.00 N ATOM 525 CA LYS A 34 -1.080 11.923 -0.506 1.00 0.00 C ATOM 526 C LYS A 34 -1.570 10.479 -0.506 1.00 0.00 C ATOM 527 O LYS A 34 -1.511 9.794 -1.526 1.00 0.00 O ATOM 528 CB LYS A 34 0.256 12.024 0.233 1.00 0.00 C ATOM 529 CG LYS A 34 0.945 13.369 0.069 1.00 0.00 C ATOM 530 CD LYS A 34 1.120 13.734 -1.399 1.00 0.00 C ATOM 531 CE LYS A 34 0.128 14.803 -1.835 1.00 0.00 C ATOM 532 NZ LYS A 34 0.813 16.014 -2.363 1.00 0.00 N ATOM 0 H LYS A 34 -2.209 12.647 1.106 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.937 12.240 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.089 11.838 1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.921 11.239 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.361 14.141 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.920 13.341 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.136 14.090 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.989 12.843 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.531 14.396 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.501 15.081 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.103 16.718 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.423 16.418 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.393 15.754 -3.186 1.00 0.00 H new ATOM 546 N ILE A 35 -2.056 10.024 0.646 1.00 0.00 N ATOM 547 CA ILE A 35 -2.562 8.662 0.774 1.00 0.00 C ATOM 548 C ILE A 35 -3.977 8.559 0.213 1.00 0.00 C ATOM 549 O ILE A 35 -4.854 9.344 0.570 1.00 0.00 O ATOM 550 CB ILE A 35 -2.564 8.196 2.245 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.167 8.338 2.850 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.045 6.755 2.349 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.885 9.717 3.407 1.00 0.00 C ATOM 0 H ILE A 35 -2.110 10.577 1.501 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.895 8.015 0.204 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.251 8.829 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.048 7.603 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.424 8.105 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.040 6.444 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.058 6.680 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.382 6.108 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.124 9.744 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.971 10.456 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.604 9.946 4.193 1.00 0.00 H new ATOM 565 N PHE A 36 -4.190 7.592 -0.675 1.00 0.00 N ATOM 566 CA PHE A 36 -5.500 7.400 -1.288 1.00 0.00 C ATOM 567 C PHE A 36 -6.109 6.060 -0.892 1.00 0.00 C ATOM 568 O PHE A 36 -7.217 6.008 -0.358 1.00 0.00 O ATOM 569 CB PHE A 36 -5.390 7.487 -2.809 1.00 0.00 C ATOM 570 CG PHE A 36 -4.658 8.708 -3.285 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.136 9.975 -2.998 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.487 8.587 -4.016 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.462 11.101 -3.431 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.809 9.707 -4.453 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.296 10.967 -4.159 1.00 0.00 C ATOM 0 H PHE A 36 -3.476 6.932 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.155 8.193 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.879 6.599 -3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.392 7.482 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.047 10.085 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.100 7.605 -4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.846 12.084 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.899 9.599 -5.024 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.766 11.845 -4.498 1.00 0.00 H new ATOM 585 N GLN A 37 -5.390 4.976 -1.163 1.00 0.00 N ATOM 586 CA GLN A 37 -5.887 3.641 -0.836 1.00 0.00 C ATOM 587 C GLN A 37 -5.020 2.948 0.207 1.00 0.00 C ATOM 588 O GLN A 37 -3.925 3.406 0.539 1.00 0.00 O ATOM 589 CB GLN A 37 -5.953 2.761 -2.087 1.00 0.00 C ATOM 590 CG GLN A 37 -6.314 3.505 -3.359 1.00 0.00 C ATOM 591 CD GLN A 37 -7.473 2.868 -4.101 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.638 3.130 -3.799 1.00 0.00 O ATOM 593 NE2 GLN A 37 -7.157 2.025 -5.078 1.00 0.00 N ATOM 0 H GLN A 37 -4.470 4.992 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.887 3.775 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.987 2.276 -2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.686 1.971 -1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.569 4.536 -3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.444 3.540 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.178 1.838 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.894 1.565 -5.613 1.00 0.00 H new ATOM 602 N VAL A 38 -5.527 1.827 0.698 1.00 0.00 N ATOM 603 CA VAL A 38 -4.839 1.015 1.690 1.00 0.00 C ATOM 604 C VAL A 38 -5.382 -0.408 1.629 1.00 0.00 C ATOM 605 O VAL A 38 -6.581 -0.624 1.803 1.00 0.00 O ATOM 606 CB VAL A 38 -5.021 1.569 3.116 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.175 0.782 4.107 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.674 3.048 3.167 1.00 0.00 C ATOM 0 H VAL A 38 -6.433 1.453 0.417 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.774 1.033 1.461 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.068 1.457 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.316 1.188 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.478 -0.265 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.124 0.859 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.810 3.419 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.636 3.189 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.327 3.599 2.490 1.00 0.00 H new ATOM 618 N LEU A 39 -4.514 -1.374 1.357 1.00 0.00 N ATOM 619 CA LEU A 39 -4.954 -2.761 1.248 1.00 0.00 C ATOM 620 C LEU A 39 -3.914 -3.742 1.782 1.00 0.00 C ATOM 621 O LEU A 39 -2.708 -3.488 1.733 1.00 0.00 O ATOM 622 CB LEU A 39 -5.310 -3.084 -0.214 1.00 0.00 C ATOM 623 CG LEU A 39 -4.150 -3.443 -1.144 1.00 0.00 C ATOM 624 CD1 LEU A 39 -2.990 -2.483 -0.958 1.00 0.00 C ATOM 625 CD2 LEU A 39 -3.704 -4.882 -0.919 1.00 0.00 C ATOM 0 H LEU A 39 -3.515 -1.228 1.210 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.842 -2.877 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.016 -3.914 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.829 -2.223 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.500 -3.353 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.178 -2.759 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.318 -1.468 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.640 -2.531 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.878 -5.116 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.378 -5.005 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.537 -5.556 -1.119 1.00 0.00 H new ATOM 637 N ILE A 40 -4.405 -4.871 2.289 1.00 0.00 N ATOM 638 CA ILE A 40 -3.544 -5.912 2.832 1.00 0.00 C ATOM 639 C ILE A 40 -3.609 -7.169 1.965 1.00 0.00 C ATOM 640 O ILE A 40 -4.689 -7.702 1.712 1.00 0.00 O ATOM 641 CB ILE A 40 -3.940 -6.272 4.278 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.397 -6.741 4.336 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.727 -5.077 5.196 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.885 -7.035 5.737 1.00 0.00 C ATOM 0 H ILE A 40 -5.401 -5.086 2.334 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.526 -5.522 2.835 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.304 -7.089 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.034 -5.976 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.505 -7.639 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.011 -5.345 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.677 -4.786 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.341 -4.243 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.924 -7.362 5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.273 -7.822 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.810 -6.134 6.345 1.00 0.00 H new ATOM 656 N PRO A 41 -2.452 -7.657 1.488 1.00 0.00 N ATOM 657 CA PRO A 41 -2.387 -8.852 0.638 1.00 0.00 C ATOM 658 C PRO A 41 -2.741 -10.131 1.386 1.00 0.00 C ATOM 659 O PRO A 41 -1.861 -10.838 1.882 1.00 0.00 O ATOM 660 CB PRO A 41 -0.928 -8.890 0.190 1.00 0.00 C ATOM 661 CG PRO A 41 -0.187 -8.155 1.251 1.00 0.00 C ATOM 662 CD PRO A 41 -1.118 -7.080 1.729 1.00 0.00 C ATOM 0 HA PRO A 41 -3.104 -8.799 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.570 -9.915 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.800 -8.416 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.092 -8.822 2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.736 -7.727 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.962 -6.852 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.976 -6.150 1.178 1.00 0.00 H new ATOM 670 N THR A 42 -4.035 -10.427 1.454 1.00 0.00 N ATOM 671 CA THR A 42 -4.513 -11.625 2.134 1.00 0.00 C ATOM 672 C THR A 42 -5.626 -12.286 1.328 1.00 0.00 C ATOM 673 O THR A 42 -6.406 -11.610 0.657 1.00 0.00 O ATOM 674 CB THR A 42 -5.014 -11.278 3.537 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.314 -10.717 3.483 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.122 -10.298 4.270 1.00 0.00 C ATOM 0 H THR A 42 -4.772 -9.852 1.046 1.00 0.00 H new ATOM 0 HA THR A 42 -3.682 -12.325 2.222 1.00 0.00 H new ATOM 0 HB THR A 42 -5.013 -12.222 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.616 -10.504 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.537 -10.097 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.124 -10.723 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.062 -9.368 3.705 1.00 0.00 H new ATOM 948 N LYS A 59 -6.290 -16.005 4.468 1.00 0.00 N ATOM 949 CA LYS A 59 -4.899 -16.445 4.473 1.00 0.00 C ATOM 950 C LYS A 59 -3.963 -15.250 4.325 1.00 0.00 C ATOM 951 O LYS A 59 -4.399 -14.105 4.363 1.00 0.00 O ATOM 952 CB LYS A 59 -4.656 -17.451 3.345 1.00 0.00 C ATOM 953 CG LYS A 59 -4.665 -18.898 3.805 1.00 0.00 C ATOM 954 CD LYS A 59 -3.281 -19.356 4.236 1.00 0.00 C ATOM 955 CE LYS A 59 -3.094 -20.849 4.019 1.00 0.00 C ATOM 956 NZ LYS A 59 -2.972 -21.190 2.575 1.00 0.00 N ATOM 0 HA LYS A 59 -4.693 -16.932 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.421 -17.317 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.696 -17.234 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.362 -19.012 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.025 -19.535 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.524 -18.808 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.130 -19.119 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.201 -21.183 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.939 -21.387 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.566 -22.142 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.913 -21.167 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.352 -20.499 2.106 1.00 0.00 H new ATOM 970 N LYS A 60 -2.675 -15.525 4.156 1.00 0.00 N ATOM 971 CA LYS A 60 -1.684 -14.467 4.001 1.00 0.00 C ATOM 972 C LYS A 60 -0.790 -14.727 2.792 1.00 0.00 C ATOM 973 O LYS A 60 -0.070 -15.723 2.742 1.00 0.00 O ATOM 974 CB LYS A 60 -0.829 -14.352 5.265 1.00 0.00 C ATOM 975 CG LYS A 60 -0.176 -12.989 5.436 1.00 0.00 C ATOM 976 CD LYS A 60 -0.114 -12.578 6.899 1.00 0.00 C ATOM 977 CE LYS A 60 -0.659 -11.174 7.107 1.00 0.00 C ATOM 978 NZ LYS A 60 0.426 -10.154 7.133 1.00 0.00 N ATOM 0 H LYS A 60 -2.293 -16.470 4.123 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.215 -13.529 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.452 -14.559 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.053 -15.117 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.832 -13.013 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.736 -12.243 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.686 -13.284 7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.918 -12.624 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.362 -10.936 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.215 -11.136 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.012 -9.211 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.083 -10.366 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.941 -10.172 6.230 1.00 0.00 H new ATOM 992 N LEU A 61 -0.842 -13.820 1.819 1.00 0.00 N ATOM 993 CA LEU A 61 -0.036 -13.950 0.611 1.00 0.00 C ATOM 994 C LEU A 61 1.338 -13.319 0.808 1.00 0.00 C ATOM 995 O LEU A 61 2.365 -13.972 0.620 1.00 0.00 O ATOM 996 CB LEU A 61 -0.744 -13.291 -0.574 1.00 0.00 C ATOM 997 CG LEU A 61 -1.966 -14.045 -1.096 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.925 -13.090 -1.789 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.542 -15.158 -2.041 1.00 0.00 C ATOM 0 H LEU A 61 -1.433 -12.989 1.845 1.00 0.00 H new ATOM 0 HA LEU A 61 0.094 -15.012 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.053 -12.287 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.029 -13.180 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.483 -14.494 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.790 -13.644 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.254 -12.329 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.419 -12.612 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.425 -15.684 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.002 -14.732 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.894 -15.857 -1.512 1.00 0.00 H new ATOM 1011 N PHE A 62 1.349 -12.048 1.191 1.00 0.00 N ATOM 1012 CA PHE A 62 2.598 -11.330 1.417 1.00 0.00 C ATOM 1013 C PHE A 62 2.765 -11.003 2.901 1.00 0.00 C ATOM 1014 O PHE A 62 2.302 -9.964 3.370 1.00 0.00 O ATOM 1015 CB PHE A 62 2.632 -10.038 0.594 1.00 0.00 C ATOM 1016 CG PHE A 62 2.442 -10.246 -0.884 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.287 -10.835 -1.379 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.418 -9.844 -1.783 1.00 0.00 C ATOM 1019 CE1 PHE A 62 1.111 -11.018 -2.736 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.247 -10.025 -3.143 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.093 -10.614 -3.620 1.00 0.00 C ATOM 0 H PHE A 62 0.508 -11.493 1.352 1.00 0.00 H new ATOM 0 HA PHE A 62 3.421 -11.971 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.854 -9.367 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.587 -9.539 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.516 -11.154 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.323 -9.384 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.206 -11.477 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.015 -9.706 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.958 -10.759 -4.682 1.00 0.00 H new ATOM 1031 N PRO A 63 3.426 -11.893 3.664 1.00 0.00 N ATOM 1032 CA PRO A 63 3.642 -11.692 5.102 1.00 0.00 C ATOM 1033 C PRO A 63 4.347 -10.375 5.407 1.00 0.00 C ATOM 1034 O PRO A 63 5.401 -10.076 4.845 1.00 0.00 O ATOM 1035 CB PRO A 63 4.523 -12.881 5.516 1.00 0.00 C ATOM 1036 CG PRO A 63 5.049 -13.449 4.241 1.00 0.00 C ATOM 1037 CD PRO A 63 4.010 -13.160 3.199 1.00 0.00 C ATOM 0 HA PRO A 63 2.698 -11.642 5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.336 -12.559 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.947 -13.623 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.004 -12.995 3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.221 -14.521 4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.449 -13.063 2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.264 -13.952 3.141 1.00 0.00 H new ATOM 1045 N GLY A 64 3.757 -9.592 6.304 1.00 0.00 N ATOM 1046 CA GLY A 64 4.338 -8.315 6.675 1.00 0.00 C ATOM 1047 C GLY A 64 4.489 -7.377 5.494 1.00 0.00 C ATOM 1048 O GLY A 64 5.499 -6.686 5.371 1.00 0.00 O ATOM 0 H GLY A 64 2.885 -9.820 6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.713 -7.842 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.315 -8.483 7.128 1.00 0.00 H new ATOM 1052 N TYR A 65 3.484 -7.353 4.625 1.00 0.00 N ATOM 1053 CA TYR A 65 3.516 -6.490 3.450 1.00 0.00 C ATOM 1054 C TYR A 65 2.198 -5.742 3.281 1.00 0.00 C ATOM 1055 O TYR A 65 1.156 -6.348 3.038 1.00 0.00 O ATOM 1056 CB TYR A 65 3.816 -7.312 2.196 1.00 0.00 C ATOM 1057 CG TYR A 65 5.283 -7.352 1.833 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.997 -6.180 1.617 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.954 -8.561 1.704 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.338 -6.211 1.284 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.295 -8.601 1.371 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.981 -7.423 1.162 1.00 0.00 C ATOM 1063 OH TYR A 65 9.316 -7.459 0.830 1.00 0.00 O ATOM 0 H TYR A 65 2.640 -7.919 4.712 1.00 0.00 H new ATOM 0 HA TYR A 65 4.309 -5.756 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.460 -8.331 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.254 -6.899 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.495 -5.228 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.419 -9.485 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.879 -5.290 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.803 -9.549 1.275 1.00 0.00 H new ATOM 0 HH TYR A 65 9.787 -6.732 1.288 1.00 0.00 H new ATOM 1073 N LEU A 66 2.256 -4.420 3.402 1.00 0.00 N ATOM 1074 CA LEU A 66 1.074 -3.578 3.254 1.00 0.00 C ATOM 1075 C LEU A 66 1.308 -2.527 2.175 1.00 0.00 C ATOM 1076 O LEU A 66 2.242 -1.734 2.273 1.00 0.00 O ATOM 1077 CB LEU A 66 0.736 -2.899 4.585 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.425 -3.531 5.360 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.055 -4.067 6.701 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.548 -2.523 5.560 1.00 0.00 C ATOM 0 H LEU A 66 3.114 -3.906 3.603 1.00 0.00 H new ATOM 0 HA LEU A 66 0.234 -4.206 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.624 -2.911 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.497 -1.853 4.391 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.812 -4.365 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.784 -4.512 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.823 -4.823 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.470 -3.250 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.363 -2.991 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.173 -1.667 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.913 -2.188 4.589 1.00 0.00 H new ATOM 1092 N PHE A 67 0.465 -2.525 1.146 1.00 0.00 N ATOM 1093 CA PHE A 67 0.611 -1.562 0.055 1.00 0.00 C ATOM 1094 C PHE A 67 -0.313 -0.368 0.246 1.00 0.00 C ATOM 1095 O PHE A 67 -1.496 -0.523 0.551 1.00 0.00 O ATOM 1096 CB PHE A 67 0.341 -2.218 -1.306 1.00 0.00 C ATOM 1097 CG PHE A 67 0.459 -3.716 -1.302 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.664 -4.332 -1.014 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.642 -4.506 -1.585 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.768 -5.710 -1.009 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.549 -5.880 -1.581 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.661 -6.486 -1.293 1.00 0.00 C ATOM 0 H PHE A 67 -0.318 -3.171 1.043 1.00 0.00 H new ATOM 0 HA PHE A 67 1.642 -1.210 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.661 -1.945 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.039 -1.812 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.532 -3.730 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.588 -4.038 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.714 -6.180 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.418 -6.482 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.740 -7.563 -1.290 1.00 0.00 H new ATOM 1112 N ILE A 68 0.240 0.824 0.056 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.523 2.058 0.200 1.00 0.00 C ATOM 1114 C ILE A 68 -0.454 2.883 -1.079 1.00 0.00 C ATOM 1115 O ILE A 68 0.629 3.248 -1.534 1.00 0.00 O ATOM 1116 CB ILE A 68 0.001 2.912 1.371 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.284 2.034 2.594 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.998 4.008 1.715 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.758 1.863 2.884 1.00 0.00 C ATOM 0 H ILE A 68 1.218 0.962 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.556 1.775 0.403 1.00 0.00 H new ATOM 0 HB ILE A 68 0.936 3.381 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.202 2.472 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.164 1.053 2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.614 4.603 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.148 4.649 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.948 3.557 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.885 1.230 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.246 1.397 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.208 2.838 3.071 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.613 3.178 -1.657 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.664 3.966 -2.884 1.00 0.00 C ATOM 1133 C GLN A 69 -1.509 5.449 -2.573 1.00 0.00 C ATOM 1134 O GLN A 69 -2.480 6.206 -2.594 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.976 3.719 -3.631 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.824 3.768 -5.143 1.00 0.00 C ATOM 1137 CD GLN A 69 -4.065 4.291 -5.841 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.586 5.352 -5.493 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.545 3.548 -6.831 1.00 0.00 N ATOM 0 H GLN A 69 -2.523 2.887 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.837 3.654 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.372 2.745 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.708 4.465 -3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.975 4.402 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.598 2.768 -5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.081 2.676 -7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.378 3.849 -7.337 1.00 0.00 H new ATOM 1148 N MET A 70 -0.275 5.851 -2.276 1.00 0.00 N ATOM 1149 CA MET A 70 0.027 7.241 -1.952 1.00 0.00 C ATOM 1150 C MET A 70 0.407 8.028 -3.203 1.00 0.00 C ATOM 1151 O MET A 70 0.354 7.506 -4.317 1.00 0.00 O ATOM 1152 CB MET A 70 1.161 7.310 -0.929 1.00 0.00 C ATOM 1153 CG MET A 70 2.410 6.555 -1.353 1.00 0.00 C ATOM 1154 SD MET A 70 3.882 7.085 -0.457 1.00 0.00 S ATOM 1155 CE MET A 70 3.285 7.051 1.229 1.00 0.00 C ATOM 0 H MET A 70 0.534 5.230 -2.253 1.00 0.00 H new ATOM 0 HA MET A 70 -0.870 7.690 -1.525 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.419 8.355 -0.755 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.808 6.907 0.020 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.257 5.488 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.570 6.697 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.107 7.269 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.503 7.800 1.353 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.881 6.064 1.452 1.00 0.00 H new ATOM 1165 N ASP A 71 0.799 9.284 -3.010 1.00 0.00 N ATOM 1166 CA ASP A 71 1.198 10.143 -4.120 1.00 0.00 C ATOM 1167 C ASP A 71 2.535 10.817 -3.830 1.00 0.00 C ATOM 1168 O ASP A 71 2.597 11.810 -3.106 1.00 0.00 O ATOM 1169 CB ASP A 71 0.130 11.206 -4.386 1.00 0.00 C ATOM 1170 CG ASP A 71 -0.181 11.352 -5.863 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.739 11.158 -6.685 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -1.343 11.662 -6.198 1.00 0.00 O ATOM 0 H ASP A 71 0.849 9.730 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 71 1.306 9.518 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.782 10.944 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.468 12.164 -3.992 1.00 0.00 H new ATOM 1177 N LEU A 72 3.605 10.272 -4.397 1.00 0.00 N ATOM 1178 CA LEU A 72 4.939 10.827 -4.196 1.00 0.00 C ATOM 1179 C LEU A 72 5.449 11.502 -5.466 1.00 0.00 C ATOM 1180 O LEU A 72 6.284 12.404 -5.407 1.00 0.00 O ATOM 1181 CB LEU A 72 5.912 9.728 -3.760 1.00 0.00 C ATOM 1182 CG LEU A 72 5.914 9.422 -2.261 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.983 8.392 -1.925 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.126 10.697 -1.458 1.00 0.00 C ATOM 0 H LEU A 72 3.576 9.448 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 72 4.876 11.579 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.670 8.814 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.920 10.017 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 72 4.943 9.005 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.968 8.188 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.785 7.471 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.962 8.779 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.125 10.461 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.083 11.143 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.323 11.401 -1.675 1.00 0.00 H new ATOM 1245 N GLU A 77 11.397 15.133 -2.592 1.00 0.00 N ATOM 1246 CA GLU A 77 11.399 14.973 -1.143 1.00 0.00 C ATOM 1247 C GLU A 77 10.046 14.461 -0.651 1.00 0.00 C ATOM 1248 O GLU A 77 9.084 15.223 -0.556 1.00 0.00 O ATOM 1249 CB GLU A 77 11.730 16.302 -0.463 1.00 0.00 C ATOM 1250 CG GLU A 77 13.221 16.589 -0.382 1.00 0.00 C ATOM 1251 CD GLU A 77 13.522 18.066 -0.210 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.192 18.618 0.859 1.00 0.00 O ATOM 1253 OE2 GLU A 77 14.089 18.668 -1.147 1.00 0.00 O ATOM 0 HA GLU A 77 12.163 14.240 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.242 17.111 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.314 16.299 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.649 16.035 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.707 16.226 -1.288 1.00 0.00 H new ATOM 1260 N PRO A 78 9.951 13.158 -0.328 1.00 0.00 N ATOM 1261 CA PRO A 78 8.704 12.555 0.155 1.00 0.00 C ATOM 1262 C PRO A 78 8.328 13.047 1.547 1.00 0.00 C ATOM 1263 O PRO A 78 8.528 12.348 2.539 1.00 0.00 O ATOM 1264 CB PRO A 78 9.016 11.057 0.183 1.00 0.00 C ATOM 1265 CG PRO A 78 10.497 10.982 0.330 1.00 0.00 C ATOM 1266 CD PRO A 78 11.046 12.171 -0.408 1.00 0.00 C ATOM 0 HA PRO A 78 7.855 12.812 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.510 10.563 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.683 10.566 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.787 11.007 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.884 10.052 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.959 12.545 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.291 11.925 -1.441 1.00 0.00 H new ATOM 1274 N ASN A 79 7.781 14.256 1.614 1.00 0.00 N ATOM 1275 CA ASN A 79 7.376 14.844 2.884 1.00 0.00 C ATOM 1276 C ASN A 79 5.926 14.491 3.212 1.00 0.00 C ATOM 1277 O ASN A 79 5.299 13.697 2.511 1.00 0.00 O ATOM 1278 CB ASN A 79 7.549 16.364 2.839 1.00 0.00 C ATOM 1279 CG ASN A 79 9.005 16.783 2.906 1.00 0.00 C ATOM 1280 OD1 ASN A 79 9.858 16.209 2.230 1.00 0.00 O ATOM 1281 ND2 ASN A 79 9.293 17.790 3.722 1.00 0.00 N ATOM 0 H ASN A 79 7.608 14.848 0.802 1.00 0.00 H new ATOM 0 HA ASN A 79 8.013 14.435 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.105 16.750 1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.006 16.813 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.255 18.118 3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.552 18.236 4.263 1.00 0.00 H new ATOM 1288 N GLU A 80 5.403 15.093 4.280 1.00 0.00 N ATOM 1289 CA GLU A 80 4.027 14.857 4.710 1.00 0.00 C ATOM 1290 C GLU A 80 3.724 13.366 4.856 1.00 0.00 C ATOM 1291 O GLU A 80 3.809 12.812 5.952 1.00 0.00 O ATOM 1292 CB GLU A 80 3.047 15.504 3.723 1.00 0.00 C ATOM 1293 CG GLU A 80 2.365 16.748 4.271 1.00 0.00 C ATOM 1294 CD GLU A 80 1.920 17.698 3.178 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.000 17.334 2.412 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.488 18.805 3.085 1.00 0.00 O ATOM 0 H GLU A 80 5.916 15.752 4.866 1.00 0.00 H new ATOM 0 HA GLU A 80 3.905 15.314 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.583 15.765 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.286 14.774 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.500 16.452 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.049 17.267 4.942 1.00 0.00 H new ATOM 1303 N ALA A 81 3.366 12.724 3.748 1.00 0.00 N ATOM 1304 CA ALA A 81 3.044 11.301 3.751 1.00 0.00 C ATOM 1305 C ALA A 81 4.086 10.488 4.513 1.00 0.00 C ATOM 1306 O ALA A 81 3.743 9.665 5.361 1.00 0.00 O ATOM 1307 CB ALA A 81 2.919 10.790 2.324 1.00 0.00 C ATOM 0 H ALA A 81 3.291 13.169 2.833 1.00 0.00 H new ATOM 0 HA ALA A 81 2.090 11.177 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.679 9.727 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.127 11.335 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.862 10.942 1.799 1.00 0.00 H new ATOM 1313 N TRP A 82 5.357 10.720 4.206 1.00 0.00 N ATOM 1314 CA TRP A 82 6.439 9.999 4.868 1.00 0.00 C ATOM 1315 C TRP A 82 6.675 10.536 6.276 1.00 0.00 C ATOM 1316 O TRP A 82 7.115 9.805 7.163 1.00 0.00 O ATOM 1317 CB TRP A 82 7.728 10.095 4.051 1.00 0.00 C ATOM 1318 CG TRP A 82 8.730 9.029 4.381 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.060 9.208 4.628 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.485 7.620 4.496 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.658 7.999 4.892 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.714 7.010 4.818 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.351 6.814 4.362 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.837 5.636 5.007 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.475 5.450 4.550 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.710 4.873 4.870 1.00 0.00 C ATOM 0 H TRP A 82 5.663 11.397 3.507 1.00 0.00 H new ATOM 0 HA TRP A 82 6.144 8.952 4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.482 10.034 2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.182 11.072 4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.569 10.161 4.618 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.645 7.861 5.108 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.394 7.249 4.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.789 5.188 5.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.605 4.819 4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.774 3.804 5.011 1.00 0.00 H new ATOM 1337 N GLU A 83 6.379 11.816 6.476 1.00 0.00 N ATOM 1338 CA GLU A 83 6.561 12.445 7.780 1.00 0.00 C ATOM 1339 C GLU A 83 5.759 11.713 8.854 1.00 0.00 C ATOM 1340 O GLU A 83 6.216 11.560 9.987 1.00 0.00 O ATOM 1341 CB GLU A 83 6.148 13.918 7.725 1.00 0.00 C ATOM 1342 CG GLU A 83 7.314 14.880 7.881 1.00 0.00 C ATOM 1343 CD GLU A 83 7.196 16.092 6.977 1.00 0.00 C ATOM 1344 OE1 GLU A 83 6.063 16.413 6.561 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.236 16.716 6.683 1.00 0.00 O ATOM 0 H GLU A 83 6.013 12.437 5.754 1.00 0.00 H new ATOM 0 HA GLU A 83 7.618 12.385 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.651 14.113 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.419 14.112 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.372 15.210 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.244 14.356 7.661 1.00 0.00 H new ATOM 1352 N VAL A 84 4.566 11.261 8.488 1.00 0.00 N ATOM 1353 CA VAL A 84 3.705 10.542 9.419 1.00 0.00 C ATOM 1354 C VAL A 84 3.971 9.042 9.363 1.00 0.00 C ATOM 1355 O VAL A 84 4.118 8.388 10.395 1.00 0.00 O ATOM 1356 CB VAL A 84 2.214 10.799 9.121 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.340 10.206 10.215 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.949 12.290 8.962 1.00 0.00 C ATOM 0 H VAL A 84 4.173 11.379 7.554 1.00 0.00 H new ATOM 0 HA VAL A 84 3.937 10.914 10.417 1.00 0.00 H new ATOM 0 HB VAL A 84 1.960 10.308 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.291 10.398 9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.508 9.131 10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.593 10.664 11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.892 12.451 8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.219 12.808 9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.546 12.680 8.138 1.00 0.00 H new ATOM 1368 N VAL A 85 4.029 8.504 8.148 1.00 0.00 N ATOM 1369 CA VAL A 85 4.278 7.081 7.954 1.00 0.00 C ATOM 1370 C VAL A 85 5.618 6.671 8.557 1.00 0.00 C ATOM 1371 O VAL A 85 5.730 5.624 9.193 1.00 0.00 O ATOM 1372 CB VAL A 85 4.258 6.705 6.458 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.508 5.215 6.272 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.936 7.111 5.825 1.00 0.00 C ATOM 0 H VAL A 85 3.907 9.033 7.284 1.00 0.00 H new ATOM 0 HA VAL A 85 3.477 6.546 8.463 1.00 0.00 H new ATOM 0 HB VAL A 85 5.060 7.248 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.489 4.973 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.482 4.955 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.732 4.649 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.939 6.838 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.118 6.598 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.802 8.189 5.921 1.00 0.00 H new ATOM 1384 N ARG A 86 6.633 7.502 8.352 1.00 0.00 N ATOM 1385 CA ARG A 86 7.966 7.224 8.876 1.00 0.00 C ATOM 1386 C ARG A 86 8.013 7.396 10.393 1.00 0.00 C ATOM 1387 O ARG A 86 8.915 6.883 11.054 1.00 0.00 O ATOM 1388 CB ARG A 86 8.996 8.144 8.217 1.00 0.00 C ATOM 1389 CG ARG A 86 10.436 7.761 8.520 1.00 0.00 C ATOM 1390 CD ARG A 86 11.341 8.982 8.558 1.00 0.00 C ATOM 1391 NE ARG A 86 11.677 9.369 9.926 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.607 8.763 10.660 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.291 7.738 10.163 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.853 9.179 11.894 1.00 0.00 N ATOM 0 H ARG A 86 6.559 8.373 7.827 1.00 0.00 H new ATOM 0 HA ARG A 86 8.207 6.187 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.845 8.131 7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.823 9.167 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.482 7.243 9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.795 7.064 7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.257 8.773 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.848 9.815 8.056 1.00 0.00 H new ATOM 0 HE ARG A 86 11.169 10.149 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.104 7.412 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.003 7.277 10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.329 9.964 12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.566 8.714 12.456 1.00 0.00 H new ATOM 1408 N GLY A 87 7.040 8.121 10.939 1.00 0.00 N ATOM 1409 CA GLY A 87 7.003 8.344 12.373 1.00 0.00 C ATOM 1410 C GLY A 87 5.731 7.824 13.017 1.00 0.00 C ATOM 1411 O GLY A 87 5.349 8.276 14.097 1.00 0.00 O ATOM 0 H GLY A 87 6.280 8.556 10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.863 7.858 12.834 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.095 9.412 12.572 1.00 0.00 H new ATOM 1415 N THR A 88 5.073 6.874 12.359 1.00 0.00 N ATOM 1416 CA THR A 88 3.839 6.300 12.886 1.00 0.00 C ATOM 1417 C THR A 88 4.136 5.330 14.030 1.00 0.00 C ATOM 1418 O THR A 88 5.032 4.492 13.923 1.00 0.00 O ATOM 1419 CB THR A 88 3.066 5.580 11.778 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.657 5.820 10.515 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.615 6.000 11.692 1.00 0.00 C ATOM 0 H THR A 88 5.372 6.487 11.464 1.00 0.00 H new ATOM 0 HA THR A 88 3.226 7.115 13.272 1.00 0.00 H new ATOM 0 HB THR A 88 3.108 4.522 12.038 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.474 5.285 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.125 5.452 10.887 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.116 5.781 12.636 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.557 7.070 11.491 1.00 0.00 H new ATOM 1429 N PRO A 89 3.385 5.426 15.141 1.00 0.00 N ATOM 1430 CA PRO A 89 3.579 4.547 16.300 1.00 0.00 C ATOM 1431 C PRO A 89 3.128 3.113 16.033 1.00 0.00 C ATOM 1432 O PRO A 89 3.364 2.219 16.845 1.00 0.00 O ATOM 1433 CB PRO A 89 2.705 5.187 17.380 1.00 0.00 C ATOM 1434 CG PRO A 89 1.643 5.909 16.628 1.00 0.00 C ATOM 1435 CD PRO A 89 2.290 6.392 15.359 1.00 0.00 C ATOM 0 HA PRO A 89 4.631 4.465 16.572 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.279 4.434 18.042 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.282 5.870 18.004 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.802 5.250 16.411 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.252 6.744 17.209 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.587 6.396 14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.667 7.409 15.463 1.00 0.00 H new ATOM 1443 N GLY A 90 2.475 2.899 14.893 1.00 0.00 N ATOM 1444 CA GLY A 90 2.003 1.570 14.551 1.00 0.00 C ATOM 1445 C GLY A 90 2.863 0.892 13.500 1.00 0.00 C ATOM 1446 O GLY A 90 2.815 -0.328 13.345 1.00 0.00 O ATOM 0 H GLY A 90 2.265 3.620 14.203 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.983 0.954 15.450 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.978 1.636 14.187 1.00 0.00 H new ATOM 1450 N ILE A 91 3.651 1.680 12.774 1.00 0.00 N ATOM 1451 CA ILE A 91 4.519 1.140 11.733 1.00 0.00 C ATOM 1452 C ILE A 91 5.800 0.561 12.332 1.00 0.00 C ATOM 1453 O ILE A 91 6.497 1.229 13.096 1.00 0.00 O ATOM 1454 CB ILE A 91 4.867 2.217 10.679 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.153 1.565 9.322 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.046 3.073 11.131 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.499 0.871 9.244 1.00 0.00 C ATOM 0 H ILE A 91 3.706 2.692 12.887 1.00 0.00 H new ATOM 0 HA ILE A 91 3.972 0.337 11.238 1.00 0.00 H new ATOM 0 HB ILE A 91 4.005 2.875 10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.368 0.840 9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.104 2.329 8.546 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.266 3.821 10.369 1.00 0.00 H new ATOM 0 HG22 ILE A 91 5.796 3.572 12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.920 2.439 11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.627 0.435 8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.293 1.595 9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.546 0.083 9.996 1.00 0.00 H new ATOM 1567 N ARG A 100 13.601 2.513 2.208 1.00 0.00 N ATOM 1568 CA ARG A 100 12.552 1.864 2.985 1.00 0.00 C ATOM 1569 C ARG A 100 11.298 1.652 2.138 1.00 0.00 C ATOM 1570 O ARG A 100 10.762 0.545 2.080 1.00 0.00 O ATOM 1571 CB ARG A 100 12.207 2.685 4.234 1.00 0.00 C ATOM 1572 CG ARG A 100 13.357 3.542 4.745 1.00 0.00 C ATOM 1573 CD ARG A 100 13.407 3.562 6.263 1.00 0.00 C ATOM 1574 NE ARG A 100 14.069 4.760 6.774 1.00 0.00 N ATOM 1575 CZ ARG A 100 15.376 4.988 6.665 1.00 0.00 C ATOM 1576 NH1 ARG A 100 16.164 4.101 6.068 1.00 0.00 N ATOM 1577 NH2 ARG A 100 15.898 6.103 7.156 1.00 0.00 N ATOM 0 HA ARG A 100 12.929 0.891 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.358 3.330 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.892 2.007 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.299 3.158 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.248 4.560 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.393 3.511 6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.934 2.677 6.620 1.00 0.00 H new ATOM 0 HE ARG A 100 13.496 5.463 7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.768 3.240 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.165 4.281 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.298 6.787 7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.900 6.277 7.072 1.00 0.00 H new ATOM 1591 N PRO A 101 10.810 2.710 1.464 1.00 0.00 N ATOM 1592 CA PRO A 101 9.617 2.628 0.619 1.00 0.00 C ATOM 1593 C PRO A 101 9.894 1.898 -0.692 1.00 0.00 C ATOM 1594 O PRO A 101 10.695 2.352 -1.508 1.00 0.00 O ATOM 1595 CB PRO A 101 9.252 4.098 0.345 1.00 0.00 C ATOM 1596 CG PRO A 101 10.162 4.915 1.206 1.00 0.00 C ATOM 1597 CD PRO A 101 11.372 4.066 1.463 1.00 0.00 C ATOM 0 HA PRO A 101 8.818 2.067 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.386 4.344 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.207 4.292 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.438 5.845 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.672 5.187 2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.129 4.192 0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.845 4.310 2.414 1.00 0.00 H new ATOM 1605 N VAL A 102 9.227 0.766 -0.888 1.00 0.00 N ATOM 1606 CA VAL A 102 9.403 -0.025 -2.101 1.00 0.00 C ATOM 1607 C VAL A 102 8.114 -0.079 -2.919 1.00 0.00 C ATOM 1608 O VAL A 102 7.228 -0.888 -2.640 1.00 0.00 O ATOM 1609 CB VAL A 102 9.847 -1.464 -1.774 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.315 -1.494 -1.378 1.00 0.00 C ATOM 1611 CG2 VAL A 102 8.978 -2.054 -0.674 1.00 0.00 C ATOM 0 H VAL A 102 8.560 0.375 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 102 10.181 0.466 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 102 9.724 -2.074 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.610 -2.519 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.922 -1.116 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.467 -0.869 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.306 -3.070 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.066 -1.444 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.938 -2.071 -1.001 1.00 0.00 H new ATOM 1621 N PRO A 103 7.990 0.784 -3.943 1.00 0.00 N ATOM 1622 CA PRO A 103 6.800 0.825 -4.799 1.00 0.00 C ATOM 1623 C PRO A 103 6.709 -0.390 -5.718 1.00 0.00 C ATOM 1624 O PRO A 103 7.631 -0.671 -6.485 1.00 0.00 O ATOM 1625 CB PRO A 103 6.994 2.102 -5.617 1.00 0.00 C ATOM 1626 CG PRO A 103 8.469 2.304 -5.658 1.00 0.00 C ATOM 1627 CD PRO A 103 8.996 1.785 -4.348 1.00 0.00 C ATOM 0 HA PRO A 103 5.878 0.813 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.581 1.996 -6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.491 2.950 -5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.913 1.768 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.715 3.358 -5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.984 1.338 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.090 2.581 -3.609 1.00 0.00 H new ATOM 1635 N LEU A 104 5.594 -1.107 -5.636 1.00 0.00 N ATOM 1636 CA LEU A 104 5.383 -2.292 -6.459 1.00 0.00 C ATOM 1637 C LEU A 104 5.134 -1.910 -7.915 1.00 0.00 C ATOM 1638 O LEU A 104 4.731 -0.786 -8.212 1.00 0.00 O ATOM 1639 CB LEU A 104 4.204 -3.107 -5.923 1.00 0.00 C ATOM 1640 CG LEU A 104 4.213 -3.338 -4.411 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.349 -2.302 -3.706 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.734 -4.745 -4.083 1.00 0.00 C ATOM 0 H LEU A 104 4.821 -0.888 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 104 6.287 -2.900 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.278 -2.599 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.194 -4.075 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 104 5.237 -3.231 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.368 -2.483 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.736 -1.304 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.324 -2.376 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.747 -4.891 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.718 -4.880 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.393 -5.473 -4.556 1.00 0.00 H new ATOM 1654 N SER A 105 5.376 -2.856 -8.819 1.00 0.00 N ATOM 1655 CA SER A 105 5.180 -2.620 -10.244 1.00 0.00 C ATOM 1656 C SER A 105 3.730 -2.880 -10.647 1.00 0.00 C ATOM 1657 O SER A 105 3.044 -3.696 -10.031 1.00 0.00 O ATOM 1658 CB SER A 105 6.117 -3.510 -11.062 1.00 0.00 C ATOM 1659 OG SER A 105 6.597 -2.828 -12.209 1.00 0.00 O ATOM 0 H SER A 105 5.708 -3.793 -8.589 1.00 0.00 H new ATOM 0 HA SER A 105 5.411 -1.575 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.958 -3.824 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.591 -4.414 -11.367 1.00 0.00 H new ATOM 0 HG SER A 105 7.195 -3.418 -12.714 1.00 0.00 H new ATOM 1665 N PRO A 106 3.244 -2.191 -11.694 1.00 0.00 N ATOM 1666 CA PRO A 106 1.870 -2.351 -12.178 1.00 0.00 C ATOM 1667 C PRO A 106 1.487 -3.814 -12.371 1.00 0.00 C ATOM 1668 O PRO A 106 0.323 -4.187 -12.226 1.00 0.00 O ATOM 1669 CB PRO A 106 1.881 -1.621 -13.521 1.00 0.00 C ATOM 1670 CG PRO A 106 2.949 -0.592 -13.379 1.00 0.00 C ATOM 1671 CD PRO A 106 3.998 -1.200 -12.488 1.00 0.00 C ATOM 0 HA PRO A 106 1.141 -1.959 -11.469 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.096 -2.305 -14.342 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.914 -1.163 -13.732 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.368 -0.328 -14.350 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.552 0.325 -12.944 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.793 -1.670 -13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.468 -0.450 -11.852 1.00 0.00 H new ATOM 1679 N ASP A 107 2.474 -4.641 -12.698 1.00 0.00 N ATOM 1680 CA ASP A 107 2.241 -6.064 -12.909 1.00 0.00 C ATOM 1681 C ASP A 107 1.952 -6.771 -11.589 1.00 0.00 C ATOM 1682 O ASP A 107 1.001 -7.546 -11.483 1.00 0.00 O ATOM 1683 CB ASP A 107 3.451 -6.706 -13.590 1.00 0.00 C ATOM 1684 CG ASP A 107 3.139 -8.078 -14.154 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.024 -8.261 -14.688 1.00 0.00 O ATOM 1686 OD2 ASP A 107 4.008 -8.970 -14.061 1.00 0.00 O ATOM 0 H ASP A 107 3.444 -4.350 -12.823 1.00 0.00 H new ATOM 0 HA ASP A 107 1.370 -6.171 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.799 -6.057 -14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.267 -6.789 -12.872 1.00 0.00 H new ATOM 1691 N GLU A 108 2.778 -6.499 -10.585 1.00 0.00 N ATOM 1692 CA GLU A 108 2.610 -7.107 -9.271 1.00 0.00 C ATOM 1693 C GLU A 108 1.437 -6.483 -8.527 1.00 0.00 C ATOM 1694 O GLU A 108 0.761 -7.149 -7.743 1.00 0.00 O ATOM 1695 CB GLU A 108 3.891 -6.953 -8.448 1.00 0.00 C ATOM 1696 CG GLU A 108 4.206 -8.160 -7.581 1.00 0.00 C ATOM 1697 CD GLU A 108 5.347 -7.903 -6.617 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.423 -7.465 -7.075 1.00 0.00 O ATOM 1699 OE2 GLU A 108 5.165 -8.138 -5.404 1.00 0.00 O ATOM 0 H GLU A 108 3.571 -5.861 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 108 2.402 -8.167 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.727 -6.773 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.800 -6.073 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.316 -8.441 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.459 -9.006 -8.220 1.00 0.00 H new ATOM 1706 N VAL A 109 1.197 -5.200 -8.779 1.00 0.00 N ATOM 1707 CA VAL A 109 0.105 -4.485 -8.131 1.00 0.00 C ATOM 1708 C VAL A 109 -1.242 -5.112 -8.476 1.00 0.00 C ATOM 1709 O VAL A 109 -2.032 -5.437 -7.590 1.00 0.00 O ATOM 1710 CB VAL A 109 0.089 -2.997 -8.537 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.015 -2.249 -7.804 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.444 -2.356 -8.271 1.00 0.00 C ATOM 0 H VAL A 109 1.745 -4.635 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 109 0.271 -4.557 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.114 -2.936 -9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.007 -1.202 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.980 -2.691 -8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.849 -2.318 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.414 -1.306 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.679 -2.430 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.210 -2.872 -8.849 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.498 -5.281 -9.769 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.753 -5.867 -10.228 1.00 0.00 C ATOM 1724 C ARG A 110 -2.988 -7.235 -9.594 1.00 0.00 C ATOM 1725 O ARG A 110 -4.115 -7.583 -9.244 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.754 -5.993 -11.754 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.453 -4.841 -12.458 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.519 -5.064 -13.959 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.603 -5.970 -14.331 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.655 -6.631 -15.487 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -3.689 -6.488 -16.384 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.676 -7.435 -15.744 1.00 0.00 N ATOM 0 H ARG A 110 -0.855 -5.021 -10.517 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.563 -5.205 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.724 -6.052 -12.106 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.241 -6.928 -12.033 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.462 -4.729 -12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.924 -3.911 -12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.658 -4.107 -14.462 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.570 -5.472 -14.307 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.365 -6.105 -13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.901 -5.870 -16.191 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.734 -6.996 -17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.422 -7.548 -15.057 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.716 -7.941 -16.629 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.917 -8.010 -9.447 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.013 -9.339 -8.857 1.00 0.00 C ATOM 1748 C HIS A 111 -2.346 -9.256 -7.371 1.00 0.00 C ATOM 1749 O HIS A 111 -3.227 -9.966 -6.884 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.706 -10.108 -9.054 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.775 -11.530 -8.591 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.726 -12.423 -9.040 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.006 -12.214 -7.712 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.540 -13.593 -8.456 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.501 -13.494 -7.647 1.00 0.00 N ATOM 0 H HIS A 111 -0.975 -7.740 -9.728 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.819 -9.871 -9.363 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.439 -10.091 -10.111 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.092 -9.597 -8.515 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.840 -11.826 -7.164 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.136 -14.480 -8.613 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.127 -14.246 -7.068 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.643 -8.386 -6.655 1.00 0.00 N ATOM 1765 CA ILE A 112 -1.872 -8.220 -5.226 1.00 0.00 C ATOM 1766 C ILE A 112 -3.189 -7.495 -4.965 1.00 0.00 C ATOM 1767 O ILE A 112 -3.812 -7.677 -3.919 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.724 -7.440 -4.558 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.624 -6.030 -5.141 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.592 -8.184 -4.728 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.479 -5.196 -4.525 1.00 0.00 C ATOM 0 H ILE A 112 -0.912 -7.787 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.917 -9.219 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.937 -7.356 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.457 -6.101 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.576 -5.519 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.393 -7.620 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.516 -9.168 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.811 -8.298 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.490 -4.209 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.303 -5.093 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.439 -5.684 -4.689 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.611 -6.674 -5.924 1.00 0.00 N ATOM 1784 CA LEU A 113 -4.856 -5.926 -5.795 1.00 0.00 C ATOM 1785 C LEU A 113 -6.057 -6.813 -6.111 1.00 0.00 C ATOM 1786 O LEU A 113 -7.149 -6.606 -5.582 1.00 0.00 O ATOM 1787 CB LEU A 113 -4.847 -4.706 -6.722 1.00 0.00 C ATOM 1788 CG LEU A 113 -3.958 -3.543 -6.267 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.254 -2.297 -7.087 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.152 -3.263 -4.784 1.00 0.00 C ATOM 0 H LEU A 113 -3.109 -6.511 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.939 -5.585 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.521 -5.025 -7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.869 -4.341 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.917 -3.825 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.615 -1.480 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.061 -2.500 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.299 -2.016 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.511 -2.434 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.194 -3.003 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.890 -4.151 -4.209 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.848 -7.804 -6.974 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.917 -8.722 -7.350 1.00 0.00 C ATOM 1804 C GLU A 114 -7.335 -9.587 -6.164 1.00 0.00 C ATOM 1805 O GLU A 114 -8.442 -10.124 -6.137 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.474 -9.610 -8.515 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.625 -10.098 -9.380 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.217 -11.402 -8.880 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.497 -12.422 -8.888 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.401 -11.401 -8.480 1.00 0.00 O ATOM 0 H GLU A 114 -4.952 -7.991 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.776 -8.128 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.772 -9.055 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.936 -10.472 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.404 -9.336 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.275 -10.231 -10.404 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.443 -9.718 -5.186 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.725 -10.518 -4.000 1.00 0.00 C ATOM 1819 C VAL A 115 -7.452 -9.696 -2.942 1.00 0.00 C ATOM 1820 O VAL A 115 -8.523 -10.081 -2.474 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.434 -11.094 -3.384 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.765 -12.134 -2.323 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.537 -11.684 -4.465 1.00 0.00 C ATOM 0 H VAL A 115 -5.521 -9.281 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.363 -11.341 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.890 -10.281 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.841 -12.529 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.358 -11.672 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.334 -12.947 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.632 -12.085 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.068 -12.484 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.269 -10.906 -5.180 1.00 0.00 H new ATOM 1833 N SER A 116 -6.864 -8.563 -2.570 1.00 0.00 N ATOM 1834 CA SER A 116 -7.462 -7.689 -1.568 1.00 0.00 C ATOM 1835 C SER A 116 -8.877 -7.292 -1.974 1.00 0.00 C ATOM 1836 O SER A 116 -9.842 -7.586 -1.268 1.00 0.00 O ATOM 1837 CB SER A 116 -6.603 -6.439 -1.371 1.00 0.00 C ATOM 1838 OG SER A 116 -6.600 -6.032 -0.015 1.00 0.00 O ATOM 0 H SER A 116 -5.977 -8.230 -2.946 1.00 0.00 H new ATOM 0 HA SER A 116 -7.512 -8.235 -0.626 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.582 -6.640 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.983 -5.631 -1.996 1.00 0.00 H new ATOM 0 HG SER A 116 -5.991 -6.604 0.497 1.00 0.00 H new ATOM 1844 N GLY A 117 -8.995 -6.630 -3.120 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.300 -6.213 -3.604 1.00 0.00 C ATOM 1846 C GLY A 117 -10.309 -4.789 -4.124 1.00 0.00 C ATOM 1847 O GLY A 117 -10.981 -3.923 -3.564 1.00 0.00 O ATOM 0 H GLY A 117 -8.212 -6.375 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.619 -6.887 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.027 -6.304 -2.797 1.00 0.00 H new ATOM 1851 N LEU A 118 -9.569 -4.549 -5.202 1.00 0.00 N ATOM 1852 CA LEU A 118 -9.504 -3.219 -5.800 1.00 0.00 C ATOM 1853 C LEU A 118 -9.784 -3.282 -7.299 1.00 0.00 C ATOM 1854 O LEU A 118 -10.526 -2.459 -7.836 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.133 -2.586 -5.551 1.00 0.00 C ATOM 1856 CG LEU A 118 -7.725 -2.460 -4.080 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -6.482 -1.593 -3.946 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -8.866 -1.888 -3.250 1.00 0.00 C ATOM 0 H LEU A 118 -9.008 -5.255 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.269 -2.601 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.379 -3.177 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.123 -1.593 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.496 -3.456 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.205 -1.514 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.662 -2.044 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.687 -0.599 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.554 -1.807 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.130 -0.900 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.732 -2.546 -3.319 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.188 -4.265 -7.970 1.00 0.00 N ATOM 1871 CA LEU A 119 -9.376 -4.431 -9.406 1.00 0.00 C ATOM 1872 C LEU A 119 -10.697 -5.132 -9.706 1.00 0.00 C ATOM 1873 O LEU A 119 -11.588 -4.560 -10.336 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.217 -5.231 -10.005 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.282 -5.433 -11.520 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.696 -4.231 -12.245 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.555 -6.707 -11.919 1.00 0.00 C ATOM 0 H LEU A 119 -8.572 -4.956 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.399 -3.440 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.283 -4.725 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.185 -6.209 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.328 -5.530 -11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.751 -4.393 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.262 -3.337 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.655 -4.101 -11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.611 -6.835 -13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.510 -6.640 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.021 -7.561 -11.428 1.00 0.00 H new ATOM 1889 N GLY A 120 -10.818 -6.376 -9.252 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.033 -7.136 -9.481 1.00 0.00 C ATOM 1891 C GLY A 120 -12.965 -7.117 -8.286 1.00 0.00 C ATOM 1892 O GLY A 120 -12.898 -6.151 -7.496 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.760 -8.069 -8.138 1.00 0.00 O ATOM 0 H GLY A 120 -10.096 -6.871 -8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.553 -6.731 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.773 -8.168 -9.718 1.00 0.00 H new