USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 359 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 Single : A 677 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 703 SER OG : rot -31:sc= 0.926 USER MOD Single : A 706 ASN : amide:sc=-0.00821 K(o=-0.0082,f=-1.9!) USER MOD Single : A 710 GLN : amide:sc= 0.194 K(o=0.19,f=-1.6!) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 180:sc= -0.0178 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 -1.357 -6.561 -13.533 1.00 0.00 N ATOM 2 CA ASN A 677 -0.625 -7.566 -14.355 1.00 0.00 C ATOM 3 C ASN A 677 0.839 -7.598 -13.928 1.00 0.00 C ATOM 4 O ASN A 677 1.420 -8.667 -13.749 1.00 0.00 O ATOM 5 CB ASN A 677 -0.730 -7.186 -15.833 1.00 0.00 C ATOM 6 CG ASN A 677 0.288 -7.975 -16.649 1.00 0.00 C ATOM 7 OD1 ASN A 677 1.377 -7.476 -16.934 1.00 0.00 O ATOM 8 ND2 ASN A 677 -0.002 -9.184 -17.042 1.00 0.00 N ATOM 0 HA ASN A 677 -1.063 -8.553 -14.207 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -1.737 -7.389 -16.198 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -0.556 -6.117 -15.955 1.00 0.00 H new ATOM 0 HD21 ASN A 677 0.674 -9.719 -17.587 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -0.905 -9.595 -16.804 1.00 0.00 H new ATOM 17 N TRP A 678 1.420 -6.417 -13.738 1.00 0.00 N ATOM 18 CA TRP A 678 2.807 -6.321 -13.298 1.00 0.00 C ATOM 19 C TRP A 678 2.925 -6.690 -11.823 1.00 0.00 C ATOM 20 O TRP A 678 3.897 -7.321 -11.408 1.00 0.00 O ATOM 21 CB TRP A 678 3.325 -4.898 -13.513 1.00 0.00 C ATOM 22 CG TRP A 678 3.485 -4.641 -14.977 1.00 0.00 C ATOM 23 CD1 TRP A 678 4.634 -4.803 -15.673 1.00 0.00 C ATOM 24 CD2 TRP A 678 2.488 -4.181 -15.933 1.00 0.00 C ATOM 25 NE1 TRP A 678 4.405 -4.472 -16.996 1.00 0.00 N ATOM 26 CE2 TRP A 678 3.098 -4.081 -17.207 1.00 0.00 C ATOM 27 CE3 TRP A 678 1.127 -3.842 -15.822 1.00 0.00 C ATOM 28 CZ2 TRP A 678 2.383 -3.663 -18.329 1.00 0.00 C ATOM 29 CZ3 TRP A 678 0.404 -3.420 -16.950 1.00 0.00 C ATOM 30 CH2 TRP A 678 1.032 -3.331 -18.201 1.00 0.00 C ATOM 0 H TRP A 678 0.956 -5.520 -13.881 1.00 0.00 H new ATOM 0 HA TRP A 678 3.406 -7.017 -13.885 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.631 -4.178 -13.080 1.00 0.00 H new ATOM 0 HB3 TRP A 678 4.280 -4.766 -13.003 1.00 0.00 H new ATOM 0 HD1 TRP A 678 5.576 -5.136 -15.263 1.00 0.00 H new ATOM 0 HE1 TRP A 678 5.115 -4.512 -17.727 1.00 0.00 H new ATOM 0 HE3 TRP A 678 0.635 -3.907 -14.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 2.870 -3.596 -19.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 -0.640 -3.163 -16.854 1.00 0.00 H new ATOM 0 HH2 TRP A 678 0.471 -3.006 -19.065 1.00 0.00 H new ATOM 41 N LEU A 679 1.931 -6.293 -11.035 1.00 0.00 N ATOM 42 CA LEU A 679 1.936 -6.587 -9.608 1.00 0.00 C ATOM 43 C LEU A 679 2.084 -8.086 -9.369 1.00 0.00 C ATOM 44 O LEU A 679 2.745 -8.512 -8.423 1.00 0.00 O ATOM 45 CB LEU A 679 0.637 -6.092 -8.966 1.00 0.00 C ATOM 46 CG LEU A 679 0.823 -4.665 -8.435 1.00 0.00 C ATOM 47 CD1 LEU A 679 1.697 -4.690 -7.176 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.490 -3.794 -9.506 1.00 0.00 C ATOM 0 H LEU A 679 1.117 -5.770 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 679 2.784 -6.073 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.171 -6.114 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.348 -6.757 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.153 -4.247 -8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.826 -3.674 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.216 -5.299 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 679 2.671 -5.114 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.619 -2.782 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 679 2.464 -4.213 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 679 0.862 -3.767 -10.396 1.00 0.00 H new ATOM 60 N TRP A 680 1.460 -8.880 -10.233 1.00 0.00 N ATOM 61 CA TRP A 680 1.528 -10.331 -10.107 1.00 0.00 C ATOM 62 C TRP A 680 2.977 -10.804 -10.146 1.00 0.00 C ATOM 63 O TRP A 680 3.399 -11.614 -9.318 1.00 0.00 O ATOM 64 CB TRP A 680 0.748 -10.986 -11.249 1.00 0.00 C ATOM 65 CG TRP A 680 -0.716 -10.747 -11.061 1.00 0.00 C ATOM 66 CD1 TRP A 680 -1.403 -9.701 -11.577 1.00 0.00 C ATOM 67 CD2 TRP A 680 -1.683 -11.549 -10.322 1.00 0.00 C ATOM 68 NE1 TRP A 680 -2.729 -9.809 -11.198 1.00 0.00 N ATOM 69 CE2 TRP A 680 -2.952 -10.931 -10.426 1.00 0.00 C ATOM 70 CE3 TRP A 680 -1.583 -12.739 -9.581 1.00 0.00 C ATOM 71 CZ2 TRP A 680 -4.082 -11.476 -9.815 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -2.720 -13.290 -8.965 1.00 0.00 C ATOM 73 CH2 TRP A 680 -3.966 -12.659 -9.081 1.00 0.00 C ATOM 0 H TRP A 680 0.906 -8.547 -11.022 1.00 0.00 H new ATOM 0 HA TRP A 680 1.089 -10.617 -9.151 1.00 0.00 H new ATOM 0 HB2 TRP A 680 1.073 -10.577 -12.206 1.00 0.00 H new ATOM 0 HB3 TRP A 680 0.951 -12.057 -11.274 1.00 0.00 H new ATOM 0 HD1 TRP A 680 -0.985 -8.912 -12.185 1.00 0.00 H new ATOM 0 HE1 TRP A 680 -3.454 -9.140 -11.458 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -0.627 -13.233 -9.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 -5.040 -10.986 -9.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -2.633 -14.205 -8.399 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -4.835 -13.087 -8.604 1.00 0.00 H new ATOM 84 N TYR A 681 3.736 -10.296 -11.109 1.00 0.00 N ATOM 85 CA TYR A 681 5.137 -10.673 -11.247 1.00 0.00 C ATOM 86 C TYR A 681 5.951 -10.160 -10.064 1.00 0.00 C ATOM 87 O TYR A 681 6.883 -10.823 -9.605 1.00 0.00 O ATOM 88 CB TYR A 681 5.708 -10.103 -12.546 1.00 0.00 C ATOM 89 CG TYR A 681 7.114 -10.614 -12.747 1.00 0.00 C ATOM 90 CD1 TYR A 681 7.324 -11.897 -13.267 1.00 0.00 C ATOM 91 CD2 TYR A 681 8.208 -9.807 -12.413 1.00 0.00 C ATOM 92 CE1 TYR A 681 8.628 -12.373 -13.452 1.00 0.00 C ATOM 93 CE2 TYR A 681 9.511 -10.282 -12.599 1.00 0.00 C ATOM 94 CZ TYR A 681 9.721 -11.565 -13.118 1.00 0.00 C ATOM 95 OH TYR A 681 11.006 -12.033 -13.301 1.00 0.00 O ATOM 0 H TYR A 681 3.407 -9.625 -11.803 1.00 0.00 H new ATOM 0 HA TYR A 681 5.198 -11.761 -11.271 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.081 -10.393 -13.389 1.00 0.00 H new ATOM 0 HB3 TYR A 681 5.708 -9.014 -12.508 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.480 -12.520 -13.525 1.00 0.00 H new ATOM 0 HD2 TYR A 681 8.046 -8.817 -12.012 1.00 0.00 H new ATOM 0 HE1 TYR A 681 8.790 -13.363 -13.852 1.00 0.00 H new ATOM 0 HE2 TYR A 681 10.355 -9.659 -12.342 1.00 0.00 H new ATOM 0 HH TYR A 681 11.647 -11.347 -13.020 1.00 0.00 H new ATOM 105 N ILE A 682 5.595 -8.975 -9.576 1.00 0.00 N ATOM 106 CA ILE A 682 6.303 -8.382 -8.448 1.00 0.00 C ATOM 107 C ILE A 682 6.129 -9.238 -7.198 1.00 0.00 C ATOM 108 O ILE A 682 7.081 -9.472 -6.454 1.00 0.00 O ATOM 109 CB ILE A 682 5.789 -6.965 -8.183 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.212 -6.050 -9.337 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.384 -6.442 -6.875 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.500 -4.700 -9.215 1.00 0.00 C ATOM 0 H ILE A 682 4.827 -8.411 -9.941 1.00 0.00 H new ATOM 0 HA ILE A 682 7.363 -8.334 -8.696 1.00 0.00 H new ATOM 0 HB ILE A 682 4.702 -6.979 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.292 -5.905 -9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.967 -6.516 -10.291 1.00 0.00 H new ATOM 0 HG21 ILE A 682 6.018 -5.433 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 682 6.088 -7.095 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.471 -6.425 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.804 -4.053 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.421 -4.853 -9.253 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.767 -4.232 -8.267 1.00 0.00 H new ATOM 124 N ARG A 683 4.904 -9.700 -6.972 1.00 0.00 N ATOM 125 CA ARG A 683 4.615 -10.529 -5.809 1.00 0.00 C ATOM 126 C ARG A 683 5.436 -11.815 -5.847 1.00 0.00 C ATOM 127 O ARG A 683 6.020 -12.219 -4.841 1.00 0.00 O ATOM 128 CB ARG A 683 3.126 -10.878 -5.764 1.00 0.00 C ATOM 129 CG ARG A 683 2.837 -11.705 -4.510 1.00 0.00 C ATOM 130 CD ARG A 683 1.334 -11.968 -4.402 1.00 0.00 C ATOM 131 NE ARG A 683 0.885 -12.807 -5.508 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.406 -13.090 -5.697 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.320 -12.617 -4.887 1.00 0.00 N ATOM 134 NH2 ARG A 683 -0.760 -13.850 -6.696 1.00 0.00 N ATOM 0 H ARG A 683 4.101 -9.516 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 683 4.882 -9.964 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.527 -9.967 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.845 -11.439 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 683 3.379 -12.650 -4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 683 3.188 -11.175 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 683 1.111 -12.456 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 683 0.791 -11.023 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 683 1.576 -13.188 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.049 -12.025 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.303 -12.840 -5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.052 -14.225 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.745 -14.070 -6.846 1.00 0.00 H new ATOM 148 N ILE A 684 5.472 -12.454 -7.011 1.00 0.00 N ATOM 149 CA ILE A 684 6.224 -13.693 -7.167 1.00 0.00 C ATOM 150 C ILE A 684 7.695 -13.473 -6.830 1.00 0.00 C ATOM 151 O ILE A 684 8.293 -14.251 -6.086 1.00 0.00 O ATOM 152 CB ILE A 684 6.105 -14.200 -8.609 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.665 -14.662 -8.898 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.069 -15.369 -8.818 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.353 -15.980 -8.174 1.00 0.00 C ATOM 0 H ILE A 684 4.993 -12.138 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 684 5.810 -14.434 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 684 6.357 -13.388 -9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 684 3.962 -13.893 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.530 -14.792 -9.972 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.986 -15.731 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.090 -15.036 -8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.819 -16.175 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.330 -16.283 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 684 5.042 -16.753 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 684 4.465 -15.840 -7.099 1.00 0.00 H new ATOM 167 N PHE A 685 8.274 -12.412 -7.382 1.00 0.00 N ATOM 168 CA PHE A 685 9.676 -12.104 -7.132 1.00 0.00 C ATOM 169 C PHE A 685 9.917 -11.869 -5.645 1.00 0.00 C ATOM 170 O PHE A 685 10.912 -12.329 -5.087 1.00 0.00 O ATOM 171 CB PHE A 685 10.084 -10.857 -7.920 1.00 0.00 C ATOM 172 CG PHE A 685 11.537 -10.546 -7.652 1.00 0.00 C ATOM 173 CD1 PHE A 685 11.881 -9.535 -6.748 1.00 0.00 C ATOM 174 CD2 PHE A 685 12.540 -11.270 -8.309 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.229 -9.247 -6.500 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.887 -10.982 -8.060 1.00 0.00 C ATOM 177 CZ PHE A 685 14.232 -9.970 -7.155 1.00 0.00 C ATOM 0 H PHE A 685 7.798 -11.756 -8.001 1.00 0.00 H new ATOM 0 HA PHE A 685 10.278 -12.953 -7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.926 -11.020 -8.986 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.461 -10.011 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 685 11.107 -8.977 -6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 685 12.274 -12.050 -9.007 1.00 0.00 H new ATOM 0 HE1 PHE A 685 13.494 -8.466 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 685 14.661 -11.540 -8.566 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.271 -9.748 -6.963 1.00 0.00 H new ATOM 187 N ILE A 686 8.996 -11.148 -5.009 1.00 0.00 N ATOM 188 CA ILE A 686 9.119 -10.859 -3.586 1.00 0.00 C ATOM 189 C ILE A 686 9.147 -12.153 -2.778 1.00 0.00 C ATOM 190 O ILE A 686 9.981 -12.325 -1.888 1.00 0.00 O ATOM 191 CB ILE A 686 7.960 -9.980 -3.117 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.117 -8.574 -3.702 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.964 -9.897 -1.589 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.818 -7.790 -3.508 1.00 0.00 C ATOM 0 H ILE A 686 8.165 -10.757 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 686 10.055 -10.324 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 686 7.019 -10.413 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.943 -8.056 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.362 -8.636 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.137 -9.270 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.852 -10.897 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.906 -9.465 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.931 -6.789 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 686 6.003 -8.305 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.593 -7.716 -2.444 1.00 0.00 H new ATOM 206 N ILE A 687 8.231 -13.061 -3.096 1.00 0.00 N ATOM 207 CA ILE A 687 8.160 -14.339 -2.395 1.00 0.00 C ATOM 208 C ILE A 687 9.465 -15.112 -2.561 1.00 0.00 C ATOM 209 O ILE A 687 9.970 -15.706 -1.610 1.00 0.00 O ATOM 210 CB ILE A 687 6.999 -15.174 -2.947 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.651 -14.534 -2.573 1.00 0.00 C ATOM 212 CG2 ILE A 687 7.073 -16.589 -2.369 1.00 0.00 C ATOM 213 CD1 ILE A 687 5.356 -14.710 -1.077 1.00 0.00 C ATOM 0 H ILE A 687 7.532 -12.938 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 687 7.996 -14.143 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 687 7.077 -15.214 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.666 -13.473 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 687 4.853 -14.988 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.248 -17.185 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 687 8.020 -17.049 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 687 7.004 -16.542 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 687 4.398 -14.249 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 687 5.317 -15.772 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 687 6.143 -14.234 -0.492 1.00 0.00 H new ATOM 225 N ILE A 688 10.004 -15.099 -3.775 1.00 0.00 N ATOM 226 CA ILE A 688 11.251 -15.802 -4.056 1.00 0.00 C ATOM 227 C ILE A 688 12.376 -15.273 -3.173 1.00 0.00 C ATOM 228 O ILE A 688 13.149 -16.046 -2.605 1.00 0.00 O ATOM 229 CB ILE A 688 11.634 -15.623 -5.529 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.640 -16.371 -6.437 1.00 0.00 C ATOM 231 CG2 ILE A 688 13.045 -16.165 -5.756 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.847 -17.890 -6.344 1.00 0.00 C ATOM 0 H ILE A 688 9.601 -14.613 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 688 11.102 -16.861 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 688 11.603 -14.562 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 688 9.619 -16.121 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 688 10.768 -16.045 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.319 -16.039 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.750 -15.620 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 688 13.074 -17.224 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 688 10.133 -18.395 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 688 11.861 -18.139 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 688 10.694 -18.216 -5.315 1.00 0.00 H new ATOM 244 N VAL A 689 12.466 -13.952 -3.063 1.00 0.00 N ATOM 245 CA VAL A 689 13.503 -13.329 -2.248 1.00 0.00 C ATOM 246 C VAL A 689 13.347 -13.729 -0.785 1.00 0.00 C ATOM 247 O VAL A 689 14.332 -14.011 -0.100 1.00 0.00 O ATOM 248 CB VAL A 689 13.423 -11.807 -2.375 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.358 -11.160 -1.352 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.847 -11.391 -3.786 1.00 0.00 C ATOM 0 H VAL A 689 11.837 -13.295 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 689 14.474 -13.672 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 689 12.400 -11.480 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.301 -10.075 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.059 -11.457 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.381 -11.486 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.790 -10.306 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.870 -11.718 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.182 -11.852 -4.516 1.00 0.00 H new ATOM 260 N GLY A 690 12.107 -13.750 -0.311 1.00 0.00 N ATOM 261 CA GLY A 690 11.838 -14.115 1.075 1.00 0.00 C ATOM 262 C GLY A 690 12.197 -15.577 1.326 1.00 0.00 C ATOM 263 O GLY A 690 12.742 -15.919 2.375 1.00 0.00 O ATOM 0 H GLY A 690 11.278 -13.521 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.413 -13.474 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.785 -13.950 1.302 1.00 0.00 H new ATOM 267 N SER A 691 11.890 -16.430 0.356 1.00 0.00 N ATOM 268 CA SER A 691 12.187 -17.853 0.483 1.00 0.00 C ATOM 269 C SER A 691 13.690 -18.079 0.605 1.00 0.00 C ATOM 270 O SER A 691 14.141 -18.880 1.424 1.00 0.00 O ATOM 271 CB SER A 691 11.653 -18.609 -0.735 1.00 0.00 C ATOM 272 OG SER A 691 11.954 -19.991 -0.599 1.00 0.00 O ATOM 0 H SER A 691 11.440 -16.165 -0.520 1.00 0.00 H new ATOM 0 HA SER A 691 11.701 -18.226 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.576 -18.467 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.102 -18.215 -1.647 1.00 0.00 H new ATOM 0 HG SER A 691 11.612 -20.478 -1.377 1.00 0.00 H new ATOM 278 N LEU A 692 14.458 -17.371 -0.216 1.00 0.00 N ATOM 279 CA LEU A 692 15.910 -17.502 -0.191 1.00 0.00 C ATOM 280 C LEU A 692 16.460 -17.098 1.172 1.00 0.00 C ATOM 281 O LEU A 692 17.321 -17.781 1.731 1.00 0.00 O ATOM 282 CB LEU A 692 16.530 -16.621 -1.282 1.00 0.00 C ATOM 283 CG LEU A 692 18.059 -16.734 -1.247 1.00 0.00 C ATOM 284 CD1 LEU A 692 18.480 -18.178 -1.524 1.00 0.00 C ATOM 285 CD2 LEU A 692 18.658 -15.818 -2.317 1.00 0.00 C ATOM 0 H LEU A 692 14.103 -16.705 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 692 16.169 -18.544 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.158 -16.925 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 692 16.231 -15.583 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 692 18.419 -16.437 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 692 19.567 -18.251 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.054 -18.833 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 692 18.120 -18.480 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 692 19.745 -15.895 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.292 -16.118 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 692 18.364 -14.787 -2.120 1.00 0.00 H new ATOM 297 N ILE A 693 15.959 -15.987 1.700 1.00 0.00 N ATOM 298 CA ILE A 693 16.408 -15.500 3.001 1.00 0.00 C ATOM 299 C ILE A 693 16.070 -16.509 4.096 1.00 0.00 C ATOM 300 O ILE A 693 16.887 -16.779 4.977 1.00 0.00 O ATOM 301 CB ILE A 693 15.741 -14.160 3.315 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.281 -13.088 2.366 1.00 0.00 C ATOM 303 CG2 ILE A 693 16.050 -13.762 4.760 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.429 -11.823 2.486 1.00 0.00 C ATOM 0 H ILE A 693 15.247 -15.410 1.252 1.00 0.00 H new ATOM 0 HA ILE A 693 17.489 -15.367 2.966 1.00 0.00 H new ATOM 0 HB ILE A 693 14.663 -14.252 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.320 -12.864 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.264 -13.454 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.575 -12.807 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.667 -14.525 5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.128 -13.670 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.814 -11.060 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.397 -12.053 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.469 -11.453 3.511 1.00 0.00 H new ATOM 316 N GLY A 694 14.863 -17.060 4.033 1.00 0.00 N ATOM 317 CA GLY A 694 14.427 -18.038 5.024 1.00 0.00 C ATOM 318 C GLY A 694 15.378 -19.231 5.051 1.00 0.00 C ATOM 319 O GLY A 694 15.859 -19.630 6.113 1.00 0.00 O ATOM 0 H GLY A 694 14.173 -16.849 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.388 -17.574 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.417 -18.375 4.791 1.00 0.00 H new ATOM 323 N LEU A 695 15.643 -19.800 3.879 1.00 0.00 N ATOM 324 CA LEU A 695 16.539 -20.948 3.785 1.00 0.00 C ATOM 325 C LEU A 695 17.890 -20.621 4.411 1.00 0.00 C ATOM 326 O LEU A 695 18.427 -21.407 5.192 1.00 0.00 O ATOM 327 CB LEU A 695 16.732 -21.347 2.320 1.00 0.00 C ATOM 328 CG LEU A 695 15.738 -22.453 1.938 1.00 0.00 C ATOM 329 CD1 LEU A 695 16.164 -23.774 2.585 1.00 0.00 C ATOM 330 CD2 LEU A 695 14.329 -22.078 2.416 1.00 0.00 C ATOM 0 H LEU A 695 15.254 -19.489 2.989 1.00 0.00 H new ATOM 0 HA LEU A 695 16.091 -21.781 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 695 16.587 -20.479 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.753 -21.694 2.161 1.00 0.00 H new ATOM 0 HG LEU A 695 15.730 -22.566 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 695 15.457 -24.557 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 695 17.160 -24.046 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.179 -23.660 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 695 13.629 -22.867 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 695 14.332 -21.957 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 695 14.023 -21.143 1.947 1.00 0.00 H new ATOM 342 N ARG A 696 18.433 -19.461 4.062 1.00 0.00 N ATOM 343 CA ARG A 696 19.723 -19.041 4.596 1.00 0.00 C ATOM 344 C ARG A 696 19.683 -18.984 6.120 1.00 0.00 C ATOM 345 O ARG A 696 20.562 -19.520 6.795 1.00 0.00 O ATOM 346 CB ARG A 696 20.096 -17.666 4.036 1.00 0.00 C ATOM 347 CG ARG A 696 21.462 -17.240 4.582 1.00 0.00 C ATOM 348 CD ARG A 696 21.272 -16.241 5.725 1.00 0.00 C ATOM 349 NE ARG A 696 20.708 -14.993 5.218 1.00 0.00 N ATOM 350 CZ ARG A 696 20.302 -14.021 6.038 1.00 0.00 C ATOM 351 NH1 ARG A 696 20.397 -14.157 7.337 1.00 0.00 N ATOM 352 NH2 ARG A 696 19.804 -12.924 5.539 1.00 0.00 N ATOM 0 H ARG A 696 18.004 -18.798 3.416 1.00 0.00 H new ATOM 0 HA ARG A 696 20.475 -19.771 4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.124 -17.701 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.338 -16.932 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 696 22.011 -18.113 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 696 22.057 -16.790 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 696 20.612 -16.665 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 696 22.229 -16.046 6.209 1.00 0.00 H new ATOM 0 HE ARG A 696 20.622 -14.860 4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 696 20.785 -15.013 7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 696 20.083 -13.407 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 696 19.727 -12.813 4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 696 19.492 -12.177 6.160 1.00 0.00 H new ATOM 366 N ILE A 697 18.658 -18.331 6.656 1.00 0.00 N ATOM 367 CA ILE A 697 18.513 -18.209 8.102 1.00 0.00 C ATOM 368 C ILE A 697 18.462 -19.588 8.755 1.00 0.00 C ATOM 369 O ILE A 697 19.130 -19.836 9.758 1.00 0.00 O ATOM 370 CB ILE A 697 17.236 -17.437 8.436 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.399 -15.977 8.009 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.979 -17.500 9.943 1.00 0.00 C ATOM 373 CD1 ILE A 697 16.044 -15.269 8.083 1.00 0.00 C ATOM 0 H ILE A 697 17.920 -17.881 6.115 1.00 0.00 H new ATOM 0 HA ILE A 697 19.376 -17.668 8.490 1.00 0.00 H new ATOM 0 HB ILE A 697 16.394 -17.881 7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.119 -15.476 8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.793 -15.926 6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.069 -16.949 10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.865 -18.540 10.249 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.821 -17.056 10.474 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.160 -14.229 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.337 -15.765 7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.668 -15.308 9.105 1.00 0.00 H new ATOM 385 N VAL A 698 17.664 -20.478 8.178 1.00 0.00 N ATOM 386 CA VAL A 698 17.532 -21.830 8.713 1.00 0.00 C ATOM 387 C VAL A 698 18.887 -22.526 8.746 1.00 0.00 C ATOM 388 O VAL A 698 19.244 -23.169 9.735 1.00 0.00 O ATOM 389 CB VAL A 698 16.562 -22.640 7.852 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.606 -24.109 8.274 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.141 -22.099 8.041 1.00 0.00 C ATOM 0 H VAL A 698 17.103 -20.292 7.347 1.00 0.00 H new ATOM 0 HA VAL A 698 17.145 -21.762 9.730 1.00 0.00 H new ATOM 0 HB VAL A 698 16.850 -22.555 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 698 15.914 -24.685 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.617 -24.495 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.319 -24.195 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.448 -22.675 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.856 -22.185 9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.107 -21.052 7.740 1.00 0.00 H new ATOM 401 N PHE A 699 19.642 -22.393 7.660 1.00 0.00 N ATOM 402 CA PHE A 699 20.957 -23.012 7.576 1.00 0.00 C ATOM 403 C PHE A 699 21.888 -22.434 8.636 1.00 0.00 C ATOM 404 O PHE A 699 22.639 -23.163 9.283 1.00 0.00 O ATOM 405 CB PHE A 699 21.557 -22.782 6.187 1.00 0.00 C ATOM 406 CG PHE A 699 22.913 -23.439 6.111 1.00 0.00 C ATOM 407 CD1 PHE A 699 23.011 -24.821 5.908 1.00 0.00 C ATOM 408 CD2 PHE A 699 24.074 -22.667 6.243 1.00 0.00 C ATOM 409 CE1 PHE A 699 24.269 -25.431 5.837 1.00 0.00 C ATOM 410 CE2 PHE A 699 25.332 -23.277 6.172 1.00 0.00 C ATOM 411 CZ PHE A 699 25.429 -24.659 5.970 1.00 0.00 C ATOM 0 H PHE A 699 19.367 -21.865 6.832 1.00 0.00 H new ATOM 0 HA PHE A 699 20.846 -24.082 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 699 20.898 -23.193 5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 699 21.647 -21.714 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 699 22.116 -25.416 5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 699 23.999 -21.601 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 699 24.344 -26.497 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 699 26.227 -22.682 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 699 26.400 -25.130 5.917 1.00 0.00 H new ATOM 421 N ALA A 700 21.834 -21.117 8.809 1.00 0.00 N ATOM 422 CA ALA A 700 22.675 -20.450 9.795 1.00 0.00 C ATOM 423 C ALA A 700 22.350 -20.946 11.198 1.00 0.00 C ATOM 424 O ALA A 700 23.247 -21.190 12.006 1.00 0.00 O ATOM 425 CB ALA A 700 22.461 -18.937 9.725 1.00 0.00 C ATOM 0 H ALA A 700 21.221 -20.495 8.283 1.00 0.00 H new ATOM 0 HA ALA A 700 23.717 -20.681 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.093 -18.446 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.722 -18.578 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.416 -18.707 9.931 1.00 0.00 H new ATOM 431 N VAL A 701 21.060 -21.096 11.483 1.00 0.00 N ATOM 432 CA VAL A 701 20.626 -21.565 12.792 1.00 0.00 C ATOM 433 C VAL A 701 21.174 -22.962 13.068 1.00 0.00 C ATOM 434 O VAL A 701 21.636 -23.255 14.171 1.00 0.00 O ATOM 435 CB VAL A 701 19.098 -21.591 12.857 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.654 -22.295 14.140 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.564 -20.157 12.852 1.00 0.00 C ATOM 0 H VAL A 701 20.302 -20.901 10.829 1.00 0.00 H new ATOM 0 HA VAL A 701 21.009 -20.881 13.549 1.00 0.00 H new ATOM 0 HB VAL A 701 18.706 -22.129 11.993 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.565 -22.314 14.187 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.035 -23.316 14.145 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.045 -21.758 15.004 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.475 -20.174 12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.956 -19.620 13.716 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.880 -19.654 11.938 1.00 0.00 H new ATOM 447 N LEU A 702 21.124 -23.821 12.054 1.00 0.00 N ATOM 448 CA LEU A 702 21.618 -25.185 12.196 1.00 0.00 C ATOM 449 C LEU A 702 23.123 -25.189 12.439 1.00 0.00 C ATOM 450 O LEU A 702 23.624 -25.933 13.283 1.00 0.00 O ATOM 451 CB LEU A 702 21.297 -25.989 10.931 1.00 0.00 C ATOM 452 CG LEU A 702 21.823 -27.422 11.066 1.00 0.00 C ATOM 453 CD1 LEU A 702 21.133 -28.121 12.241 1.00 0.00 C ATOM 454 CD2 LEU A 702 21.529 -28.192 9.777 1.00 0.00 C ATOM 0 H LEU A 702 20.749 -23.598 11.132 1.00 0.00 H new ATOM 0 HA LEU A 702 21.125 -25.644 13.053 1.00 0.00 H new ATOM 0 HB2 LEU A 702 20.220 -26.004 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.748 -25.509 10.062 1.00 0.00 H new ATOM 0 HG LEU A 702 22.898 -27.395 11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 702 21.511 -29.139 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 702 21.339 -27.574 13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.057 -28.148 12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 702 21.902 -29.212 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 702 20.453 -28.213 9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 702 22.022 -27.700 8.939 1.00 0.00 H new ATOM 466 N SER A 703 23.841 -24.355 11.697 1.00 0.00 N ATOM 467 CA SER A 703 25.290 -24.271 11.842 1.00 0.00 C ATOM 468 C SER A 703 25.663 -23.874 13.268 1.00 0.00 C ATOM 469 O SER A 703 26.590 -24.430 13.856 1.00 0.00 O ATOM 470 CB SER A 703 25.886 -23.272 10.846 1.00 0.00 C ATOM 471 OG SER A 703 25.407 -21.968 11.129 1.00 0.00 O ATOM 0 H SER A 703 23.447 -23.731 10.993 1.00 0.00 H new ATOM 0 HA SER A 703 25.705 -25.256 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 703 26.974 -23.290 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.618 -23.555 9.828 1.00 0.00 H new ATOM 0 HG SER A 703 24.502 -22.025 11.500 1.00 0.00 H new ATOM 477 N LEU A 704 24.933 -22.908 13.814 1.00 0.00 N ATOM 478 CA LEU A 704 25.194 -22.440 15.170 1.00 0.00 C ATOM 479 C LEU A 704 24.946 -23.555 16.182 1.00 0.00 C ATOM 480 O LEU A 704 25.712 -23.727 17.130 1.00 0.00 O ATOM 481 CB LEU A 704 24.288 -21.248 15.493 1.00 0.00 C ATOM 482 CG LEU A 704 24.716 -20.031 14.667 1.00 0.00 C ATOM 483 CD1 LEU A 704 23.665 -18.928 14.808 1.00 0.00 C ATOM 484 CD2 LEU A 704 26.068 -19.512 15.174 1.00 0.00 C ATOM 0 H LEU A 704 24.161 -22.437 13.343 1.00 0.00 H new ATOM 0 HA LEU A 704 26.238 -22.134 15.233 1.00 0.00 H new ATOM 0 HB2 LEU A 704 23.250 -21.499 15.276 1.00 0.00 H new ATOM 0 HB3 LEU A 704 24.344 -21.015 16.556 1.00 0.00 H new ATOM 0 HG LEU A 704 24.809 -20.319 13.620 1.00 0.00 H new ATOM 0 HD11 LEU A 704 23.967 -18.061 14.221 1.00 0.00 H new ATOM 0 HD12 LEU A 704 22.704 -19.293 14.447 1.00 0.00 H new ATOM 0 HD13 LEU A 704 23.575 -18.643 15.856 1.00 0.00 H new ATOM 0 HD21 LEU A 704 26.370 -18.646 14.584 1.00 0.00 H new ATOM 0 HD22 LEU A 704 25.978 -19.224 16.221 1.00 0.00 H new ATOM 0 HD23 LEU A 704 26.818 -20.296 15.077 1.00 0.00 H new ATOM 496 N VAL A 705 23.869 -24.306 15.976 1.00 0.00 N ATOM 497 CA VAL A 705 23.532 -25.402 16.879 1.00 0.00 C ATOM 498 C VAL A 705 24.615 -26.474 16.850 1.00 0.00 C ATOM 499 O VAL A 705 25.009 -27.000 17.891 1.00 0.00 O ATOM 500 CB VAL A 705 22.191 -26.017 16.476 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.953 -27.296 17.280 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.067 -25.020 16.762 1.00 0.00 C ATOM 0 H VAL A 705 23.220 -24.178 15.200 1.00 0.00 H new ATOM 0 HA VAL A 705 23.459 -25.004 17.891 1.00 0.00 H new ATOM 0 HB VAL A 705 22.206 -26.254 15.412 1.00 0.00 H new ATOM 0 HG11 VAL A 705 20.997 -27.734 16.992 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.754 -28.007 17.077 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.938 -27.060 18.344 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.111 -25.458 16.475 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.053 -24.783 17.826 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.235 -24.108 16.189 1.00 0.00 H new ATOM 512 N ASN A 706 25.095 -26.793 15.653 1.00 0.00 N ATOM 513 CA ASN A 706 26.135 -27.803 15.501 1.00 0.00 C ATOM 514 C ASN A 706 27.390 -27.398 16.269 1.00 0.00 C ATOM 515 O ASN A 706 28.017 -28.223 16.933 1.00 0.00 O ATOM 516 CB ASN A 706 26.476 -27.985 14.021 1.00 0.00 C ATOM 517 CG ASN A 706 27.374 -29.204 13.838 1.00 0.00 C ATOM 518 OD1 ASN A 706 27.236 -30.192 14.559 1.00 0.00 O ATOM 519 ND2 ASN A 706 28.292 -29.193 12.911 1.00 0.00 N ATOM 0 H ASN A 706 24.783 -26.370 14.779 1.00 0.00 H new ATOM 0 HA ASN A 706 25.763 -28.745 15.905 1.00 0.00 H new ATOM 0 HB2 ASN A 706 25.561 -28.107 13.441 1.00 0.00 H new ATOM 0 HB3 ASN A 706 26.977 -27.094 13.643 1.00 0.00 H new ATOM 0 HD21 ASN A 706 28.897 -30.004 12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 706 28.405 -28.373 12.315 1.00 0.00 H new ATOM 526 N ARG A 707 27.746 -26.120 16.174 1.00 0.00 N ATOM 527 CA ARG A 707 28.927 -25.615 16.865 1.00 0.00 C ATOM 528 C ARG A 707 28.747 -25.714 18.377 1.00 0.00 C ATOM 529 O ARG A 707 29.653 -26.143 19.092 1.00 0.00 O ATOM 530 CB ARG A 707 29.176 -24.157 16.474 1.00 0.00 C ATOM 531 CG ARG A 707 30.431 -23.645 17.185 1.00 0.00 C ATOM 532 CD ARG A 707 30.770 -22.243 16.674 1.00 0.00 C ATOM 533 NE ARG A 707 31.177 -22.300 15.274 1.00 0.00 N ATOM 534 CZ ARG A 707 31.448 -21.195 14.576 1.00 0.00 C ATOM 535 NH1 ARG A 707 31.356 -20.013 15.131 1.00 0.00 N ATOM 536 NH2 ARG A 707 31.808 -21.296 13.325 1.00 0.00 N ATOM 0 H ARG A 707 27.239 -25.421 15.631 1.00 0.00 H new ATOM 0 HA ARG A 707 29.784 -26.222 16.572 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.298 -24.075 15.394 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.316 -23.545 16.745 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.268 -23.621 18.262 1.00 0.00 H new ATOM 0 HG3 ARG A 707 31.266 -24.322 17.004 1.00 0.00 H new ATOM 0 HD2 ARG A 707 29.904 -21.590 16.782 1.00 0.00 H new ATOM 0 HD3 ARG A 707 31.571 -21.813 17.276 1.00 0.00 H new ATOM 0 HE ARG A 707 31.257 -23.208 14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 707 31.075 -19.929 16.108 1.00 0.00 H new ATOM 0 HH12 ARG A 707 31.566 -19.176 14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 707 31.880 -22.215 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 707 32.017 -20.456 12.785 1.00 0.00 H new ATOM 550 N VAL A 708 27.573 -25.317 18.858 1.00 0.00 N ATOM 551 CA VAL A 708 27.287 -25.368 20.286 1.00 0.00 C ATOM 552 C VAL A 708 27.366 -26.802 20.798 1.00 0.00 C ATOM 553 O VAL A 708 27.909 -27.061 21.872 1.00 0.00 O ATOM 554 CB VAL A 708 25.894 -24.802 20.560 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.511 -25.067 22.018 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.897 -23.293 20.302 1.00 0.00 C ATOM 0 H VAL A 708 26.810 -24.959 18.284 1.00 0.00 H new ATOM 0 HA VAL A 708 28.032 -24.767 20.808 1.00 0.00 H new ATOM 0 HB VAL A 708 25.172 -25.284 19.901 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.517 -24.663 22.212 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.509 -26.141 22.204 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.234 -24.586 22.677 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.904 -22.889 20.497 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.620 -22.813 20.961 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.169 -23.102 19.264 1.00 0.00 H new ATOM 566 N ARG A 709 26.823 -27.733 20.019 1.00 0.00 N ATOM 567 CA ARG A 709 26.841 -29.141 20.402 1.00 0.00 C ATOM 568 C ARG A 709 28.275 -29.631 20.573 1.00 0.00 C ATOM 569 O ARG A 709 28.576 -30.392 21.493 1.00 0.00 O ATOM 570 CB ARG A 709 26.135 -29.982 19.338 1.00 0.00 C ATOM 571 CG ARG A 709 26.111 -31.447 19.779 1.00 0.00 C ATOM 572 CD ARG A 709 25.395 -32.288 18.721 1.00 0.00 C ATOM 573 NE ARG A 709 26.145 -32.271 17.468 1.00 0.00 N ATOM 574 CZ ARG A 709 27.204 -33.060 17.271 1.00 0.00 C ATOM 575 NH1 ARG A 709 27.615 -33.879 18.206 1.00 0.00 N ATOM 576 NH2 ARG A 709 27.836 -33.015 16.130 1.00 0.00 N ATOM 0 H ARG A 709 26.369 -27.541 19.126 1.00 0.00 H new ATOM 0 HA ARG A 709 26.317 -29.246 21.352 1.00 0.00 H new ATOM 0 HB2 ARG A 709 25.118 -29.619 19.188 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.651 -29.887 18.383 1.00 0.00 H new ATOM 0 HG2 ARG A 709 27.128 -31.812 19.921 1.00 0.00 H new ATOM 0 HG3 ARG A 709 25.602 -31.541 20.738 1.00 0.00 H new ATOM 0 HD2 ARG A 709 25.286 -33.314 19.074 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.390 -31.899 18.557 1.00 0.00 H new ATOM 0 HE ARG A 709 25.852 -31.639 16.723 1.00 0.00 H new ATOM 0 HH11 ARG A 709 27.125 -33.920 19.099 1.00 0.00 H new ATOM 0 HH12 ARG A 709 28.426 -34.476 18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 709 27.520 -32.380 15.397 1.00 0.00 H new ATOM 0 HH22 ARG A 709 28.646 -33.614 15.972 1.00 0.00 H new ATOM 590 N GLN A 710 29.155 -29.191 19.681 1.00 0.00 N ATOM 591 CA GLN A 710 30.555 -29.592 19.743 1.00 0.00 C ATOM 592 C GLN A 710 31.179 -29.155 21.063 1.00 0.00 C ATOM 593 O GLN A 710 31.259 -27.962 21.358 1.00 0.00 O ATOM 594 CB GLN A 710 31.322 -28.966 18.575 1.00 0.00 C ATOM 595 CG GLN A 710 32.766 -29.471 18.577 1.00 0.00 C ATOM 596 CD GLN A 710 33.507 -28.921 17.363 1.00 0.00 C ATOM 597 OE1 GLN A 710 32.925 -28.193 16.558 1.00 0.00 O ATOM 598 NE2 GLN A 710 34.762 -29.227 17.180 1.00 0.00 N ATOM 0 H GLN A 710 28.926 -28.561 18.912 1.00 0.00 H new ATOM 0 HA GLN A 710 30.611 -30.678 19.675 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.839 -29.221 17.632 1.00 0.00 H new ATOM 0 HB3 GLN A 710 31.306 -27.879 18.658 1.00 0.00 H new ATOM 0 HG2 GLN A 710 33.268 -29.160 19.493 1.00 0.00 H new ATOM 0 HG3 GLN A 710 32.780 -30.561 18.560 1.00 0.00 H new ATOM 0 HE21 GLN A 710 35.242 -29.830 17.848 1.00 0.00 H new ATOM 0 HE22 GLN A 710 35.263 -28.863 16.369 1.00 0.00 H new ATOM 607 N GLY A 711 31.630 -30.128 21.848 1.00 0.00 N ATOM 608 CA GLY A 711 32.251 -29.837 23.137 1.00 0.00 C ATOM 609 C GLY A 711 33.748 -30.136 23.117 1.00 0.00 C ATOM 610 O GLY A 711 34.372 -30.270 24.170 1.00 0.00 O ATOM 0 H GLY A 711 31.578 -31.120 21.617 1.00 0.00 H new ATOM 0 HA2 GLY A 711 32.092 -28.789 23.391 1.00 0.00 H new ATOM 0 HA3 GLY A 711 31.771 -30.430 23.916 1.00 0.00 H new ATOM 614 N TYR A 712 34.322 -30.245 21.922 1.00 0.00 N ATOM 615 CA TYR A 712 35.747 -30.537 21.802 1.00 0.00 C ATOM 616 C TYR A 712 36.343 -29.841 20.583 1.00 0.00 C ATOM 617 O TYR A 712 35.621 -29.425 19.677 1.00 0.00 O ATOM 618 CB TYR A 712 35.961 -32.047 21.682 1.00 0.00 C ATOM 619 CG TYR A 712 35.348 -32.542 20.394 1.00 0.00 C ATOM 620 CD1 TYR A 712 36.119 -32.592 19.227 1.00 0.00 C ATOM 621 CD2 TYR A 712 34.010 -32.951 20.368 1.00 0.00 C ATOM 622 CE1 TYR A 712 35.551 -33.051 18.032 1.00 0.00 C ATOM 623 CE2 TYR A 712 33.442 -33.410 19.173 1.00 0.00 C ATOM 624 CZ TYR A 712 34.213 -33.460 18.006 1.00 0.00 C ATOM 625 OH TYR A 712 33.652 -33.913 16.829 1.00 0.00 O ATOM 0 H TYR A 712 33.831 -30.137 21.035 1.00 0.00 H new ATOM 0 HA TYR A 712 36.248 -30.165 22.696 1.00 0.00 H new ATOM 0 HB2 TYR A 712 37.026 -32.277 21.702 1.00 0.00 H new ATOM 0 HB3 TYR A 712 35.509 -32.558 22.532 1.00 0.00 H new ATOM 0 HD1 TYR A 712 37.152 -32.277 19.248 1.00 0.00 H new ATOM 0 HD2 TYR A 712 33.416 -32.913 21.269 1.00 0.00 H new ATOM 0 HE1 TYR A 712 36.145 -33.089 17.131 1.00 0.00 H new ATOM 0 HE2 TYR A 712 32.409 -33.725 19.152 1.00 0.00 H new ATOM 0 HH TYR A 712 32.716 -34.158 16.986 1.00 0.00 H new ATOM 635 N SER A 713 37.666 -29.712 20.575 1.00 0.00 N ATOM 636 CA SER A 713 38.359 -29.059 19.469 1.00 0.00 C ATOM 637 C SER A 713 37.747 -27.692 19.176 1.00 0.00 C ATOM 638 O SER A 713 37.234 -27.451 18.083 1.00 0.00 O ATOM 639 CB SER A 713 38.281 -29.934 18.218 1.00 0.00 C ATOM 640 OG SER A 713 39.227 -29.472 17.263 1.00 0.00 O ATOM 0 H SER A 713 38.278 -30.049 21.318 1.00 0.00 H new ATOM 0 HA SER A 713 39.402 -28.919 19.753 1.00 0.00 H new ATOM 0 HB2 SER A 713 38.484 -30.974 18.474 1.00 0.00 H new ATOM 0 HB3 SER A 713 37.276 -29.899 17.798 1.00 0.00 H new ATOM 0 HG SER A 713 39.181 -30.032 16.460 1.00 0.00 H new ATOM 646 N PRO A 714 37.791 -26.798 20.131 1.00 0.00 N ATOM 647 CA PRO A 714 37.231 -25.421 19.979 1.00 0.00 C ATOM 648 C PRO A 714 38.078 -24.551 19.054 1.00 0.00 C ATOM 649 O PRO A 714 39.281 -24.769 18.910 1.00 0.00 O ATOM 650 CB PRO A 714 37.244 -24.875 21.408 1.00 0.00 C ATOM 651 CG PRO A 714 38.354 -25.603 22.085 1.00 0.00 C ATOM 652 CD PRO A 714 38.387 -26.998 21.463 1.00 0.00 C ATOM 0 HA PRO A 714 36.240 -25.427 19.525 1.00 0.00 H new ATOM 0 HB2 PRO A 714 37.413 -23.798 21.418 1.00 0.00 H new ATOM 0 HB3 PRO A 714 36.292 -25.053 21.908 1.00 0.00 H new ATOM 0 HG2 PRO A 714 39.304 -25.089 21.939 1.00 0.00 H new ATOM 0 HG3 PRO A 714 38.184 -25.660 23.160 1.00 0.00 H new ATOM 0 HD2 PRO A 714 39.405 -27.382 21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 714 37.816 -27.714 22.054 1.00 0.00 H new ATOM 660 N LEU A 715 37.443 -23.563 18.431 1.00 0.00 N ATOM 661 CA LEU A 715 38.152 -22.665 17.526 1.00 0.00 C ATOM 662 C LEU A 715 39.224 -21.884 18.281 1.00 0.00 C ATOM 663 O LEU A 715 40.322 -21.667 17.770 1.00 0.00 O ATOM 664 CB LEU A 715 37.168 -21.685 16.877 1.00 0.00 C ATOM 665 CG LEU A 715 36.659 -22.255 15.547 1.00 0.00 C ATOM 666 CD1 LEU A 715 37.764 -22.160 14.492 1.00 0.00 C ATOM 667 CD2 LEU A 715 36.248 -23.722 15.730 1.00 0.00 C ATOM 0 H LEU A 715 36.448 -23.365 18.535 1.00 0.00 H new ATOM 0 HA LEU A 715 38.629 -23.265 16.751 1.00 0.00 H new ATOM 0 HB2 LEU A 715 36.329 -21.502 17.548 1.00 0.00 H new ATOM 0 HB3 LEU A 715 37.656 -20.725 16.708 1.00 0.00 H new ATOM 0 HG LEU A 715 35.793 -21.679 15.220 1.00 0.00 H new ATOM 0 HD11 LEU A 715 37.401 -22.565 13.547 1.00 0.00 H new ATOM 0 HD12 LEU A 715 38.047 -21.116 14.354 1.00 0.00 H new ATOM 0 HD13 LEU A 715 38.632 -22.731 14.822 1.00 0.00 H new ATOM 0 HD21 LEU A 715 35.888 -24.120 14.781 1.00 0.00 H new ATOM 0 HD22 LEU A 715 37.109 -24.302 16.063 1.00 0.00 H new ATOM 0 HD23 LEU A 715 35.455 -23.788 16.475 1.00 0.00 H new ATOM 679 N SER A 716 38.895 -21.466 19.498 1.00 0.00 N ATOM 680 CA SER A 716 39.837 -20.710 20.315 1.00 0.00 C ATOM 681 C SER A 716 40.904 -21.633 20.897 1.00 0.00 C ATOM 682 O SER A 716 40.544 -22.702 21.362 1.00 0.00 O ATOM 683 CB SER A 716 39.095 -20.006 21.450 1.00 0.00 C ATOM 684 OG SER A 716 39.244 -20.760 22.647 1.00 0.00 O ATOM 685 OXT SER A 716 42.063 -21.257 20.868 1.00 0.00 O ATOM 0 H SER A 716 37.991 -21.636 19.938 1.00 0.00 H new ATOM 0 HA SER A 716 40.322 -19.967 19.682 1.00 0.00 H new ATOM 0 HB2 SER A 716 39.490 -19.000 21.589 1.00 0.00 H new ATOM 0 HB3 SER A 716 38.039 -19.903 21.201 1.00 0.00 H new ATOM 0 HG SER A 716 38.770 -20.311 23.378 1.00 0.00 H new TER 691 SER A 716