USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 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 2 GLN : amide:sc= -4.35! C(o=-11!,f=-13!) USER MOD Set 1.2: A 3 HIS : no HD1:sc= -5.17! C(o=-11!,f=-20!) USER MOD Set 1.3: A 81 THR OG1 : rot 107:sc= -1.98! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.0551 (180deg=-0.327) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 33 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.129 USER MOD Single : A 65 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-11!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.37 (180deg=-0.955) USER MOD Single : A 89 GLN : amide:sc= -1.18! K(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.150 -4.102 4.069 1.00 0.00 N ATOM 2 CA MET A 1 12.540 -3.399 2.905 1.00 0.00 C ATOM 3 C MET A 1 12.659 -4.275 1.659 1.00 0.00 C ATOM 4 O MET A 1 13.159 -3.854 0.635 1.00 0.00 O ATOM 5 CB MET A 1 13.267 -2.074 2.671 1.00 0.00 C ATOM 6 CG MET A 1 13.016 -1.143 3.857 1.00 0.00 C ATOM 7 SD MET A 1 13.789 0.463 3.540 1.00 0.00 S ATOM 8 CE MET A 1 13.420 1.213 5.145 1.00 0.00 C ATOM 0 H1 MET A 1 12.478 -4.106 4.863 1.00 0.00 H new ATOM 0 H2 MET A 1 13.378 -5.081 3.803 1.00 0.00 H new ATOM 0 H3 MET A 1 14.020 -3.610 4.355 1.00 0.00 H new ATOM 0 HA MET A 1 11.487 -3.204 3.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.336 -2.249 2.551 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.915 -1.611 1.749 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.945 -1.018 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.423 -1.581 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.814 2.229 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.341 1.239 5.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.882 0.624 5.937 1.00 0.00 H new ATOM 20 N GLN A 2 12.202 -5.494 1.738 1.00 0.00 N ATOM 21 CA GLN A 2 12.286 -6.400 0.558 1.00 0.00 C ATOM 22 C GLN A 2 11.605 -5.731 -0.640 1.00 0.00 C ATOM 23 O GLN A 2 12.068 -5.819 -1.760 1.00 0.00 O ATOM 24 CB GLN A 2 11.578 -7.717 0.883 1.00 0.00 C ATOM 25 CG GLN A 2 11.852 -8.734 -0.226 1.00 0.00 C ATOM 26 CD GLN A 2 11.172 -10.060 0.118 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.651 -10.227 1.204 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.153 -11.019 -0.767 1.00 0.00 N ATOM 0 H GLN A 2 11.774 -5.902 2.569 1.00 0.00 H new ATOM 0 HA GLN A 2 13.330 -6.599 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.929 -8.104 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.505 -7.550 0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.479 -8.358 -1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.926 -8.883 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.590 -10.881 -1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.702 -11.907 -0.547 1.00 0.00 H new ATOM 37 N HIS A 3 10.513 -5.058 -0.407 1.00 0.00 N ATOM 38 CA HIS A 3 9.799 -4.372 -1.521 1.00 0.00 C ATOM 39 C HIS A 3 9.027 -3.175 -0.962 1.00 0.00 C ATOM 40 O HIS A 3 8.006 -2.781 -1.488 1.00 0.00 O ATOM 41 CB HIS A 3 8.822 -5.341 -2.190 1.00 0.00 C ATOM 42 CG HIS A 3 9.589 -6.362 -2.984 1.00 0.00 C ATOM 43 ND1 HIS A 3 9.713 -7.681 -2.571 1.00 0.00 N ATOM 44 CD2 HIS A 3 10.276 -6.274 -4.170 1.00 0.00 C ATOM 45 CE1 HIS A 3 10.450 -8.327 -3.494 1.00 0.00 C ATOM 46 NE2 HIS A 3 10.816 -7.515 -4.486 1.00 0.00 N ATOM 0 H HIS A 3 10.082 -4.953 0.511 1.00 0.00 H new ATOM 0 HA HIS A 3 10.525 -4.032 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.211 -5.836 -1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.141 -4.794 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.380 -5.379 -4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.712 -9.373 -3.438 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.375 -7.754 -5.305 1.00 0.00 H new ATOM 55 N ALA A 4 9.509 -2.598 0.105 1.00 0.00 N ATOM 56 CA ALA A 4 8.803 -1.432 0.705 1.00 0.00 C ATOM 57 C ALA A 4 8.726 -0.295 -0.317 1.00 0.00 C ATOM 58 O ALA A 4 7.778 0.464 -0.342 1.00 0.00 O ATOM 59 CB ALA A 4 9.569 -0.954 1.940 1.00 0.00 C ATOM 0 H ALA A 4 10.361 -2.884 0.587 1.00 0.00 H new ATOM 0 HA ALA A 4 7.794 -1.729 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.053 -0.101 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.623 -1.762 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.578 -0.659 1.651 1.00 0.00 H new ATOM 65 N SER A 5 9.715 -0.168 -1.158 1.00 0.00 N ATOM 66 CA SER A 5 9.689 0.925 -2.169 1.00 0.00 C ATOM 67 C SER A 5 8.445 0.782 -3.048 1.00 0.00 C ATOM 68 O SER A 5 7.811 1.755 -3.404 1.00 0.00 O ATOM 69 CB SER A 5 10.942 0.845 -3.042 1.00 0.00 C ATOM 70 OG SER A 5 12.095 0.867 -2.210 1.00 0.00 O ATOM 0 H SER A 5 10.537 -0.771 -1.189 1.00 0.00 H new ATOM 0 HA SER A 5 9.663 1.888 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.927 -0.067 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.967 1.682 -3.740 1.00 0.00 H new ATOM 0 HG SER A 5 12.900 0.814 -2.766 1.00 0.00 H new ATOM 76 N VAL A 6 8.084 -0.423 -3.393 1.00 0.00 N ATOM 77 CA VAL A 6 6.875 -0.619 -4.240 1.00 0.00 C ATOM 78 C VAL A 6 5.641 -0.172 -3.462 1.00 0.00 C ATOM 79 O VAL A 6 4.735 0.418 -4.007 1.00 0.00 O ATOM 80 CB VAL A 6 6.734 -2.094 -4.612 1.00 0.00 C ATOM 81 CG1 VAL A 6 5.379 -2.323 -5.288 1.00 0.00 C ATOM 82 CG2 VAL A 6 7.856 -2.485 -5.577 1.00 0.00 C ATOM 0 H VAL A 6 8.572 -1.278 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 6 6.972 -0.029 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 6 6.799 -2.704 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.278 -3.375 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.579 -2.043 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.314 -1.714 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.757 -3.537 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.790 -1.875 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.821 -2.322 -5.098 1.00 0.00 H new ATOM 92 N ILE A 7 5.597 -0.453 -2.192 1.00 0.00 N ATOM 93 CA ILE A 7 4.418 -0.043 -1.382 1.00 0.00 C ATOM 94 C ILE A 7 4.279 1.480 -1.419 1.00 0.00 C ATOM 95 O ILE A 7 3.225 2.011 -1.707 1.00 0.00 O ATOM 96 CB ILE A 7 4.617 -0.504 0.061 1.00 0.00 C ATOM 97 CG1 ILE A 7 4.755 -2.028 0.085 1.00 0.00 C ATOM 98 CG2 ILE A 7 3.410 -0.087 0.903 1.00 0.00 C ATOM 99 CD1 ILE A 7 5.144 -2.485 1.491 1.00 0.00 C ATOM 0 H ILE A 7 6.326 -0.949 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 7 3.515 -0.497 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 7 5.517 -0.046 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.815 -2.493 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.510 -2.346 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.553 -0.416 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.308 0.998 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.508 -0.545 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.242 -3.570 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.094 -2.031 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.373 -2.180 2.199 1.00 0.00 H new ATOM 111 N ALA A 8 5.339 2.188 -1.139 1.00 0.00 N ATOM 112 CA ALA A 8 5.271 3.677 -1.168 1.00 0.00 C ATOM 113 C ALA A 8 4.974 4.135 -2.594 1.00 0.00 C ATOM 114 O ALA A 8 4.146 4.991 -2.826 1.00 0.00 O ATOM 115 CB ALA A 8 6.610 4.259 -0.712 1.00 0.00 C ATOM 0 H ALA A 8 6.249 1.800 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 8 4.483 4.022 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.560 5.348 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.825 3.926 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.401 3.919 -1.380 1.00 0.00 H new ATOM 121 N GLN A 9 5.643 3.558 -3.549 1.00 0.00 N ATOM 122 CA GLN A 9 5.405 3.941 -4.967 1.00 0.00 C ATOM 123 C GLN A 9 3.981 3.547 -5.363 1.00 0.00 C ATOM 124 O GLN A 9 3.264 4.295 -5.992 1.00 0.00 O ATOM 125 CB GLN A 9 6.404 3.197 -5.858 1.00 0.00 C ATOM 126 CG GLN A 9 6.224 3.632 -7.312 1.00 0.00 C ATOM 127 CD GLN A 9 6.132 2.393 -8.203 1.00 0.00 C ATOM 128 OE1 GLN A 9 7.068 2.059 -8.902 1.00 0.00 O ATOM 129 NE2 GLN A 9 5.032 1.688 -8.201 1.00 0.00 N ATOM 0 H GLN A 9 6.348 2.834 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 9 5.533 5.017 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.423 3.404 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.253 2.121 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.322 4.235 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.062 4.256 -7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.247 1.969 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.958 0.856 -8.787 1.00 0.00 H new ATOM 138 N PHE A 10 3.575 2.371 -4.990 1.00 0.00 N ATOM 139 CA PHE A 10 2.205 1.902 -5.330 1.00 0.00 C ATOM 140 C PHE A 10 1.178 2.830 -4.684 1.00 0.00 C ATOM 141 O PHE A 10 0.241 3.278 -5.312 1.00 0.00 O ATOM 142 CB PHE A 10 2.030 0.479 -4.791 1.00 0.00 C ATOM 143 CG PHE A 10 0.716 -0.099 -5.254 1.00 0.00 C ATOM 144 CD1 PHE A 10 0.631 -0.723 -6.503 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.411 -0.024 -4.429 1.00 0.00 C ATOM 146 CE1 PHE A 10 -0.583 -1.274 -6.929 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.627 -0.573 -4.856 1.00 0.00 C ATOM 148 CZ PHE A 10 -1.712 -1.198 -6.105 1.00 0.00 C ATOM 0 H PHE A 10 4.138 1.707 -4.459 1.00 0.00 H new ATOM 0 HA PHE A 10 2.060 1.909 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.852 -0.150 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.067 0.488 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.502 -0.780 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.344 0.457 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.649 -1.757 -7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.499 -0.514 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.649 -1.622 -6.434 1.00 0.00 H new ATOM 158 N VAL A 11 1.354 3.120 -3.427 1.00 0.00 N ATOM 159 CA VAL A 11 0.399 4.018 -2.720 1.00 0.00 C ATOM 160 C VAL A 11 0.599 5.466 -3.178 1.00 0.00 C ATOM 161 O VAL A 11 -0.346 6.206 -3.370 1.00 0.00 O ATOM 162 CB VAL A 11 0.653 3.931 -1.215 1.00 0.00 C ATOM 163 CG1 VAL A 11 -0.293 4.881 -0.479 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.411 2.497 -0.740 1.00 0.00 C ATOM 0 H VAL A 11 2.123 2.772 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.620 3.708 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 11 1.684 4.215 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.110 4.818 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.118 5.902 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.325 4.601 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.592 2.434 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.620 2.213 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.088 1.821 -1.263 1.00 0.00 H new ATOM 174 N VAL A 12 1.827 5.881 -3.331 1.00 0.00 N ATOM 175 CA VAL A 12 2.102 7.287 -3.748 1.00 0.00 C ATOM 176 C VAL A 12 1.554 7.561 -5.153 1.00 0.00 C ATOM 177 O VAL A 12 0.998 8.609 -5.410 1.00 0.00 O ATOM 178 CB VAL A 12 3.610 7.528 -3.729 1.00 0.00 C ATOM 179 CG1 VAL A 12 3.915 8.898 -4.333 1.00 0.00 C ATOM 180 CG2 VAL A 12 4.115 7.487 -2.285 1.00 0.00 C ATOM 0 H VAL A 12 2.656 5.305 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 12 1.605 7.962 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 12 4.108 6.753 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.991 9.070 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.555 8.931 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.416 9.672 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.191 7.659 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.616 8.262 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.898 6.511 -1.851 1.00 0.00 H new ATOM 190 N GLU A 13 1.706 6.640 -6.062 1.00 0.00 N ATOM 191 CA GLU A 13 1.195 6.870 -7.443 1.00 0.00 C ATOM 192 C GLU A 13 -0.300 7.174 -7.400 1.00 0.00 C ATOM 193 O GLU A 13 -0.827 7.866 -8.249 1.00 0.00 O ATOM 194 CB GLU A 13 1.450 5.632 -8.298 1.00 0.00 C ATOM 195 CG GLU A 13 2.918 5.598 -8.718 1.00 0.00 C ATOM 196 CD GLU A 13 3.177 4.358 -9.575 1.00 0.00 C ATOM 197 OE1 GLU A 13 4.267 4.249 -10.112 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.280 3.539 -9.680 1.00 0.00 O ATOM 0 H GLU A 13 2.161 5.740 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 13 1.716 7.721 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.200 4.731 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.809 5.647 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.167 6.499 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.559 5.584 -7.836 1.00 0.00 H new ATOM 205 N GLU A 14 -0.989 6.668 -6.420 1.00 0.00 N ATOM 206 CA GLU A 14 -2.448 6.935 -6.328 1.00 0.00 C ATOM 207 C GLU A 14 -2.676 8.429 -6.074 1.00 0.00 C ATOM 208 O GLU A 14 -3.676 8.989 -6.479 1.00 0.00 O ATOM 209 CB GLU A 14 -3.042 6.118 -5.182 1.00 0.00 C ATOM 210 CG GLU A 14 -4.560 6.287 -5.171 1.00 0.00 C ATOM 211 CD GLU A 14 -5.145 5.542 -3.971 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.354 5.570 -3.813 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.373 4.956 -3.231 1.00 0.00 O ATOM 0 H GLU A 14 -0.606 6.081 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.933 6.650 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.783 5.066 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.622 6.446 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.819 7.344 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.987 5.900 -6.096 1.00 0.00 H new ATOM 220 N PHE A 15 -1.759 9.080 -5.409 1.00 0.00 N ATOM 221 CA PHE A 15 -1.930 10.538 -5.137 1.00 0.00 C ATOM 222 C PHE A 15 -0.561 11.230 -5.137 1.00 0.00 C ATOM 223 O PHE A 15 -0.254 12.017 -4.265 1.00 0.00 O ATOM 224 CB PHE A 15 -2.603 10.724 -3.771 1.00 0.00 C ATOM 225 CG PHE A 15 -1.654 10.316 -2.668 1.00 0.00 C ATOM 226 CD1 PHE A 15 -1.468 8.961 -2.370 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.965 11.292 -1.937 1.00 0.00 C ATOM 228 CE1 PHE A 15 -0.594 8.580 -1.346 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.090 10.912 -0.912 1.00 0.00 C ATOM 230 CZ PHE A 15 0.096 9.556 -0.617 1.00 0.00 C ATOM 0 H PHE A 15 -0.901 8.667 -5.043 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.553 10.981 -5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.899 11.765 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.512 10.125 -3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.000 8.208 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.109 12.338 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.452 7.534 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.441 11.665 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.772 9.263 0.173 1.00 0.00 H new ATOM 240 N LEU A 16 0.269 10.941 -6.105 1.00 0.00 N ATOM 241 CA LEU A 16 1.614 11.584 -6.144 1.00 0.00 C ATOM 242 C LEU A 16 1.513 13.000 -6.732 1.00 0.00 C ATOM 243 O LEU A 16 0.941 13.195 -7.785 1.00 0.00 O ATOM 244 CB LEU A 16 2.579 10.727 -6.988 1.00 0.00 C ATOM 245 CG LEU A 16 2.651 11.192 -8.455 1.00 0.00 C ATOM 246 CD1 LEU A 16 3.643 10.305 -9.207 1.00 0.00 C ATOM 247 CD2 LEU A 16 1.278 11.072 -9.127 1.00 0.00 C ATOM 0 H LEU A 16 0.074 10.291 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 16 1.999 11.658 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.575 10.768 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.258 9.686 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 16 2.969 12.234 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.702 10.626 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.627 10.388 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.308 9.268 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.349 11.405 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.950 10.033 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.557 11.693 -8.595 1.00 0.00 H new ATOM 259 N PRO A 17 2.090 13.984 -6.079 1.00 0.00 N ATOM 260 CA PRO A 17 2.079 15.382 -6.588 1.00 0.00 C ATOM 261 C PRO A 17 3.111 15.548 -7.711 1.00 0.00 C ATOM 262 O PRO A 17 3.395 14.617 -8.437 1.00 0.00 O ATOM 263 CB PRO A 17 2.455 16.207 -5.354 1.00 0.00 C ATOM 264 CG PRO A 17 3.311 15.304 -4.535 1.00 0.00 C ATOM 265 CD PRO A 17 2.811 13.885 -4.794 1.00 0.00 C ATOM 0 HA PRO A 17 1.124 15.684 -7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.992 17.114 -5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.568 16.519 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.360 15.403 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.238 15.554 -3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.637 13.176 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.155 13.542 -3.994 1.00 0.00 H new ATOM 273 N ASP A 18 3.685 16.707 -7.859 1.00 0.00 N ATOM 274 CA ASP A 18 4.698 16.897 -8.929 1.00 0.00 C ATOM 275 C ASP A 18 6.045 16.344 -8.450 1.00 0.00 C ATOM 276 O ASP A 18 7.081 16.636 -9.013 1.00 0.00 O ATOM 277 CB ASP A 18 4.830 18.389 -9.235 1.00 0.00 C ATOM 278 CG ASP A 18 5.349 19.130 -8.000 1.00 0.00 C ATOM 279 OD1 ASP A 18 5.792 18.468 -7.076 1.00 0.00 O ATOM 280 OD2 ASP A 18 5.295 20.349 -7.998 1.00 0.00 O ATOM 0 H ASP A 18 3.496 17.529 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 18 4.391 16.369 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.511 18.538 -10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.864 18.795 -9.534 1.00 0.00 H new ATOM 285 N VAL A 19 6.034 15.552 -7.407 1.00 0.00 N ATOM 286 CA VAL A 19 7.308 14.983 -6.879 1.00 0.00 C ATOM 287 C VAL A 19 7.322 13.466 -7.084 1.00 0.00 C ATOM 288 O VAL A 19 6.343 12.788 -6.837 1.00 0.00 O ATOM 289 CB VAL A 19 7.416 15.294 -5.385 1.00 0.00 C ATOM 290 CG1 VAL A 19 8.774 14.828 -4.861 1.00 0.00 C ATOM 291 CG2 VAL A 19 7.275 16.801 -5.168 1.00 0.00 C ATOM 0 H VAL A 19 5.194 15.275 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 19 8.151 15.425 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 19 6.624 14.773 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.849 15.050 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.874 13.754 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.568 15.347 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.352 17.024 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.067 17.322 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.305 17.133 -5.539 1.00 0.00 H new ATOM 301 N ALA A 20 8.424 12.926 -7.531 1.00 0.00 N ATOM 302 CA ALA A 20 8.498 11.453 -7.748 1.00 0.00 C ATOM 303 C ALA A 20 8.531 10.737 -6.386 1.00 0.00 C ATOM 304 O ALA A 20 9.161 11.210 -5.461 1.00 0.00 O ATOM 305 CB ALA A 20 9.774 11.121 -8.524 1.00 0.00 C ATOM 0 H ALA A 20 9.275 13.441 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 20 7.627 11.122 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.832 10.045 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.757 11.632 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.643 11.450 -7.954 1.00 0.00 H new ATOM 311 N PRO A 21 7.876 9.603 -6.254 1.00 0.00 N ATOM 312 CA PRO A 21 7.869 8.842 -4.971 1.00 0.00 C ATOM 313 C PRO A 21 9.284 8.658 -4.414 1.00 0.00 C ATOM 314 O PRO A 21 9.500 8.649 -3.219 1.00 0.00 O ATOM 315 CB PRO A 21 7.277 7.481 -5.340 1.00 0.00 C ATOM 316 CG PRO A 21 6.513 7.686 -6.607 1.00 0.00 C ATOM 317 CD PRO A 21 7.074 8.933 -7.293 1.00 0.00 C ATOM 0 HA PRO A 21 7.303 9.365 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.064 6.739 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.625 7.113 -4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.610 6.816 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.451 7.810 -6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.685 8.669 -8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.274 9.580 -7.654 1.00 0.00 H new ATOM 325 N ALA A 22 10.247 8.517 -5.281 1.00 0.00 N ATOM 326 CA ALA A 22 11.652 8.338 -4.821 1.00 0.00 C ATOM 327 C ALA A 22 12.133 9.626 -4.149 1.00 0.00 C ATOM 328 O ALA A 22 13.060 9.623 -3.365 1.00 0.00 O ATOM 329 CB ALA A 22 12.541 8.030 -6.027 1.00 0.00 C ATOM 0 H ALA A 22 10.121 8.518 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 22 11.704 7.515 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.571 7.898 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.195 7.116 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.491 8.856 -6.736 1.00 0.00 H new ATOM 335 N ASP A 23 11.504 10.725 -4.457 1.00 0.00 N ATOM 336 CA ASP A 23 11.914 12.020 -3.846 1.00 0.00 C ATOM 337 C ASP A 23 11.006 12.323 -2.657 1.00 0.00 C ATOM 338 O ASP A 23 11.089 13.369 -2.047 1.00 0.00 O ATOM 339 CB ASP A 23 11.793 13.136 -4.884 1.00 0.00 C ATOM 340 CG ASP A 23 12.829 12.922 -5.989 1.00 0.00 C ATOM 341 OD1 ASP A 23 12.726 13.584 -7.008 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.710 12.099 -5.797 1.00 0.00 O ATOM 0 H ASP A 23 10.721 10.783 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 23 12.948 11.956 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.789 13.144 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.946 14.106 -4.410 1.00 0.00 H new ATOM 347 N VAL A 24 10.144 11.406 -2.320 1.00 0.00 N ATOM 348 CA VAL A 24 9.232 11.628 -1.166 1.00 0.00 C ATOM 349 C VAL A 24 9.760 10.839 0.028 1.00 0.00 C ATOM 350 O VAL A 24 10.171 9.703 -0.100 1.00 0.00 O ATOM 351 CB VAL A 24 7.825 11.143 -1.520 1.00 0.00 C ATOM 352 CG1 VAL A 24 6.874 11.443 -0.360 1.00 0.00 C ATOM 353 CG2 VAL A 24 7.338 11.870 -2.776 1.00 0.00 C ATOM 0 H VAL A 24 10.032 10.511 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 24 9.189 12.690 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 24 7.847 10.069 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.872 11.097 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.220 10.929 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.852 12.517 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.335 11.526 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.317 12.944 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.015 11.659 -3.604 1.00 0.00 H new ATOM 363 N ASP A 25 9.765 11.430 1.188 1.00 0.00 N ATOM 364 CA ASP A 25 10.283 10.705 2.378 1.00 0.00 C ATOM 365 C ASP A 25 9.346 9.545 2.714 1.00 0.00 C ATOM 366 O ASP A 25 8.364 9.707 3.411 1.00 0.00 O ATOM 367 CB ASP A 25 10.358 11.665 3.566 1.00 0.00 C ATOM 368 CG ASP A 25 11.384 12.761 3.272 1.00 0.00 C ATOM 369 OD1 ASP A 25 12.154 12.591 2.341 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.381 13.754 3.982 1.00 0.00 O ATOM 0 H ASP A 25 9.435 12.379 1.363 1.00 0.00 H new ATOM 0 HA ASP A 25 11.278 10.316 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.380 12.108 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.638 11.122 4.469 1.00 0.00 H new ATOM 375 N VAL A 26 9.645 8.373 2.222 1.00 0.00 N ATOM 376 CA VAL A 26 8.776 7.197 2.512 1.00 0.00 C ATOM 377 C VAL A 26 8.711 6.973 4.024 1.00 0.00 C ATOM 378 O VAL A 26 8.062 6.061 4.499 1.00 0.00 O ATOM 379 CB VAL A 26 9.357 5.955 1.836 1.00 0.00 C ATOM 380 CG1 VAL A 26 9.548 6.226 0.343 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.710 5.619 2.469 1.00 0.00 C ATOM 0 H VAL A 26 10.454 8.179 1.632 1.00 0.00 H new ATOM 0 HA VAL A 26 7.773 7.382 2.129 1.00 0.00 H new ATOM 0 HB VAL A 26 8.673 5.117 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.962 5.340 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.586 6.468 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.232 7.064 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.127 4.734 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.392 6.459 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.576 5.425 3.533 1.00 0.00 H new ATOM 391 N ASP A 27 9.372 7.802 4.786 1.00 0.00 N ATOM 392 CA ASP A 27 9.339 7.642 6.262 1.00 0.00 C ATOM 393 C ASP A 27 8.088 8.331 6.812 1.00 0.00 C ATOM 394 O ASP A 27 7.927 8.493 8.005 1.00 0.00 O ATOM 395 CB ASP A 27 10.594 8.277 6.866 1.00 0.00 C ATOM 396 CG ASP A 27 10.590 9.790 6.619 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.546 10.316 6.271 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.635 10.397 6.782 1.00 0.00 O ATOM 0 H ASP A 27 9.933 8.583 4.447 1.00 0.00 H new ATOM 0 HA ASP A 27 9.312 6.584 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.634 8.076 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.485 7.831 6.424 1.00 0.00 H new ATOM 403 N LEU A 28 7.206 8.738 5.942 1.00 0.00 N ATOM 404 CA LEU A 28 5.962 9.421 6.396 1.00 0.00 C ATOM 405 C LEU A 28 4.902 8.377 6.719 1.00 0.00 C ATOM 406 O LEU A 28 4.691 7.440 5.974 1.00 0.00 O ATOM 407 CB LEU A 28 5.450 10.339 5.285 1.00 0.00 C ATOM 408 CG LEU A 28 4.248 11.140 5.793 1.00 0.00 C ATOM 409 CD1 LEU A 28 4.706 12.162 6.839 1.00 0.00 C ATOM 410 CD2 LEU A 28 3.596 11.875 4.619 1.00 0.00 C ATOM 0 H LEU A 28 7.294 8.627 4.932 1.00 0.00 H new ATOM 0 HA LEU A 28 6.175 10.012 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.242 11.016 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.165 9.749 4.414 1.00 0.00 H new ATOM 0 HG LEU A 28 3.529 10.458 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.846 12.728 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.171 11.642 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.428 12.844 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.740 12.446 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.320 12.552 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.263 11.150 3.876 1.00 0.00 H new ATOM 422 N ASP A 29 4.228 8.530 7.822 1.00 0.00 N ATOM 423 CA ASP A 29 3.182 7.544 8.183 1.00 0.00 C ATOM 424 C ASP A 29 2.059 7.623 7.155 1.00 0.00 C ATOM 425 O ASP A 29 1.463 8.661 6.951 1.00 0.00 O ATOM 426 CB ASP A 29 2.631 7.864 9.574 1.00 0.00 C ATOM 427 CG ASP A 29 3.725 7.641 10.620 1.00 0.00 C ATOM 428 OD1 ASP A 29 3.535 8.069 11.747 1.00 0.00 O ATOM 429 OD2 ASP A 29 4.732 7.045 10.278 1.00 0.00 O ATOM 0 H ASP A 29 4.357 9.294 8.486 1.00 0.00 H new ATOM 0 HA ASP A 29 3.606 6.540 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.283 8.896 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.771 7.230 9.791 1.00 0.00 H new ATOM 434 N LEU A 30 1.766 6.537 6.500 1.00 0.00 N ATOM 435 CA LEU A 30 0.682 6.564 5.485 1.00 0.00 C ATOM 436 C LEU A 30 -0.606 7.041 6.149 1.00 0.00 C ATOM 437 O LEU A 30 -1.548 7.431 5.487 1.00 0.00 O ATOM 438 CB LEU A 30 0.470 5.163 4.902 1.00 0.00 C ATOM 439 CG LEU A 30 1.757 4.681 4.230 1.00 0.00 C ATOM 440 CD1 LEU A 30 1.522 3.299 3.618 1.00 0.00 C ATOM 441 CD2 LEU A 30 2.155 5.662 3.125 1.00 0.00 C ATOM 0 H LEU A 30 2.228 5.636 6.623 1.00 0.00 H new ATOM 0 HA LEU A 30 0.959 7.242 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.180 4.470 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.345 5.180 4.178 1.00 0.00 H new ATOM 0 HG LEU A 30 2.554 4.624 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.438 2.953 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.236 2.598 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.725 3.360 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.072 5.318 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.358 5.718 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.319 6.649 3.557 1.00 0.00 H new ATOM 453 N VAL A 31 -0.660 7.014 7.453 1.00 0.00 N ATOM 454 CA VAL A 31 -1.895 7.467 8.143 1.00 0.00 C ATOM 455 C VAL A 31 -2.290 8.837 7.601 1.00 0.00 C ATOM 456 O VAL A 31 -3.449 9.107 7.354 1.00 0.00 O ATOM 457 CB VAL A 31 -1.647 7.560 9.649 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.796 8.324 10.309 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.575 6.150 10.235 1.00 0.00 C ATOM 0 H VAL A 31 0.093 6.700 8.064 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.698 6.752 7.963 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.709 8.084 9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.620 8.390 11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.855 9.328 9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.734 7.799 10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.398 6.211 11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.516 5.631 10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.760 5.601 9.764 1.00 0.00 H new ATOM 469 N ASP A 32 -1.335 9.697 7.387 1.00 0.00 N ATOM 470 CA ASP A 32 -1.666 11.036 6.830 1.00 0.00 C ATOM 471 C ASP A 32 -2.425 10.814 5.526 1.00 0.00 C ATOM 472 O ASP A 32 -3.351 11.527 5.195 1.00 0.00 O ATOM 473 CB ASP A 32 -0.378 11.816 6.554 1.00 0.00 C ATOM 474 CG ASP A 32 0.309 12.154 7.879 1.00 0.00 C ATOM 475 OD1 ASP A 32 -0.321 11.985 8.910 1.00 0.00 O ATOM 476 OD2 ASP A 32 1.453 12.576 7.839 1.00 0.00 O ATOM 0 H ASP A 32 -0.346 9.532 7.572 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.270 11.608 7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.290 11.226 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.605 12.731 6.006 1.00 0.00 H new ATOM 481 N ASN A 33 -2.045 9.799 4.800 1.00 0.00 N ATOM 482 CA ASN A 33 -2.739 9.478 3.527 1.00 0.00 C ATOM 483 C ASN A 33 -3.957 8.616 3.858 1.00 0.00 C ATOM 484 O ASN A 33 -4.477 7.901 3.023 1.00 0.00 O ATOM 485 CB ASN A 33 -1.794 8.701 2.611 1.00 0.00 C ATOM 486 CG ASN A 33 -0.467 9.451 2.489 1.00 0.00 C ATOM 487 OD1 ASN A 33 0.584 8.845 2.427 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.469 10.756 2.456 1.00 0.00 N ATOM 0 H ASN A 33 -1.275 9.174 5.039 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.047 10.392 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.623 7.702 3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.245 8.577 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.411 11.266 2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.351 11.266 2.508 1.00 0.00 H new ATOM 495 N GLY A 34 -4.396 8.671 5.088 1.00 0.00 N ATOM 496 CA GLY A 34 -5.566 7.853 5.519 1.00 0.00 C ATOM 497 C GLY A 34 -6.656 7.879 4.448 1.00 0.00 C ATOM 498 O GLY A 34 -7.559 7.072 4.454 1.00 0.00 O ATOM 0 H GLY A 34 -3.989 9.254 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.252 6.826 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.961 8.238 6.459 1.00 0.00 H new ATOM 502 N VAL A 35 -6.586 8.785 3.522 1.00 0.00 N ATOM 503 CA VAL A 35 -7.631 8.823 2.465 1.00 0.00 C ATOM 504 C VAL A 35 -7.755 7.426 1.851 1.00 0.00 C ATOM 505 O VAL A 35 -8.835 6.953 1.561 1.00 0.00 O ATOM 506 CB VAL A 35 -7.222 9.823 1.380 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.141 9.670 0.167 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.340 11.247 1.929 1.00 0.00 C ATOM 0 H VAL A 35 -5.859 9.496 3.448 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.586 9.129 2.893 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.192 9.630 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.848 10.383 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.059 8.657 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.172 9.861 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.049 11.960 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.371 11.437 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.684 11.360 2.793 1.00 0.00 H new ATOM 518 N ILE A 36 -6.646 6.769 1.652 1.00 0.00 N ATOM 519 CA ILE A 36 -6.667 5.401 1.056 1.00 0.00 C ATOM 520 C ILE A 36 -7.216 4.376 2.058 1.00 0.00 C ATOM 521 O ILE A 36 -7.652 3.306 1.685 1.00 0.00 O ATOM 522 CB ILE A 36 -5.241 4.998 0.687 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.275 3.887 -0.359 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.527 4.487 1.937 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.927 3.166 -0.385 1.00 0.00 C ATOM 0 H ILE A 36 -5.717 7.124 1.879 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.309 5.417 0.175 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.713 5.861 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.072 3.181 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.494 4.305 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.508 4.197 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.502 5.275 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.061 3.623 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.953 2.373 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.139 3.876 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.726 2.734 0.595 1.00 0.00 H new ATOM 537 N ASP A 37 -7.158 4.676 3.326 1.00 0.00 N ATOM 538 CA ASP A 37 -7.631 3.695 4.351 1.00 0.00 C ATOM 539 C ASP A 37 -9.051 3.204 4.055 1.00 0.00 C ATOM 540 O ASP A 37 -9.377 2.068 4.335 1.00 0.00 O ATOM 541 CB ASP A 37 -7.599 4.340 5.740 1.00 0.00 C ATOM 542 CG ASP A 37 -6.147 4.527 6.182 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.934 5.196 7.180 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.273 3.998 5.517 1.00 0.00 O ATOM 0 H ASP A 37 -6.804 5.557 3.700 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.961 2.836 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.110 5.302 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.130 3.713 6.456 1.00 0.00 H new ATOM 549 N SER A 38 -9.905 4.036 3.524 1.00 0.00 N ATOM 550 CA SER A 38 -11.306 3.579 3.256 1.00 0.00 C ATOM 551 C SER A 38 -11.639 3.658 1.763 1.00 0.00 C ATOM 552 O SER A 38 -11.961 2.665 1.143 1.00 0.00 O ATOM 553 CB SER A 38 -12.284 4.447 4.051 1.00 0.00 C ATOM 554 OG SER A 38 -12.617 3.774 5.277 1.00 0.00 O ATOM 0 H SER A 38 -9.701 5.001 3.266 1.00 0.00 H new ATOM 0 HA SER A 38 -11.395 2.538 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.838 5.418 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.185 4.631 3.466 1.00 0.00 H new ATOM 559 N LEU A 39 -11.584 4.821 1.180 1.00 0.00 N ATOM 560 CA LEU A 39 -11.922 4.935 -0.268 1.00 0.00 C ATOM 561 C LEU A 39 -10.943 4.102 -1.089 1.00 0.00 C ATOM 562 O LEU A 39 -11.330 3.278 -1.893 1.00 0.00 O ATOM 563 CB LEU A 39 -11.836 6.400 -0.695 1.00 0.00 C ATOM 564 CG LEU A 39 -12.325 6.553 -2.137 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.131 7.846 -2.267 1.00 0.00 C ATOM 566 CD2 LEU A 39 -11.122 6.613 -3.082 1.00 0.00 C ATOM 0 H LEU A 39 -11.322 5.694 1.638 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.934 4.567 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.440 7.018 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.808 6.752 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.953 5.701 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.480 7.956 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.988 7.810 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.500 8.696 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.471 6.722 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.495 7.465 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.542 5.695 -2.991 1.00 0.00 H new ATOM 578 N GLY A 40 -9.675 4.306 -0.885 1.00 0.00 N ATOM 579 CA GLY A 40 -8.665 3.523 -1.645 1.00 0.00 C ATOM 580 C GLY A 40 -8.665 2.076 -1.159 1.00 0.00 C ATOM 581 O GLY A 40 -8.498 1.151 -1.930 1.00 0.00 O ATOM 0 H GLY A 40 -9.293 4.982 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.890 3.559 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.676 3.961 -1.513 1.00 0.00 H new ATOM 585 N LEU A 41 -8.850 1.872 0.116 1.00 0.00 N ATOM 586 CA LEU A 41 -8.859 0.483 0.649 1.00 0.00 C ATOM 587 C LEU A 41 -9.944 -0.320 -0.057 1.00 0.00 C ATOM 588 O LEU A 41 -9.749 -1.464 -0.414 1.00 0.00 O ATOM 589 CB LEU A 41 -9.135 0.511 2.155 1.00 0.00 C ATOM 590 CG LEU A 41 -9.317 -0.924 2.673 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.698 -1.071 4.067 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.811 -1.258 2.759 1.00 0.00 C ATOM 0 H LEU A 41 -8.995 2.606 0.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.889 0.018 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.310 0.995 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.030 1.099 2.360 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.820 -1.605 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.835 -2.093 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.633 -0.844 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.185 -0.381 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.936 -2.277 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.300 -0.563 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.261 -1.172 1.770 1.00 0.00 H new ATOM 604 N LEU A 42 -11.081 0.270 -0.276 1.00 0.00 N ATOM 605 CA LEU A 42 -12.164 -0.468 -0.972 1.00 0.00 C ATOM 606 C LEU A 42 -11.668 -0.871 -2.358 1.00 0.00 C ATOM 607 O LEU A 42 -11.852 -1.989 -2.796 1.00 0.00 O ATOM 608 CB LEU A 42 -13.390 0.437 -1.108 1.00 0.00 C ATOM 609 CG LEU A 42 -14.022 0.664 0.264 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.878 1.931 0.226 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.906 -0.530 0.616 1.00 0.00 C ATOM 0 H LEU A 42 -11.307 1.227 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.437 -1.357 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.101 1.392 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.116 -0.018 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.238 0.775 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.330 2.094 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.252 2.785 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.663 1.817 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.359 -0.371 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.690 -0.636 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.301 -1.436 0.639 1.00 0.00 H new ATOM 623 N LYS A 43 -11.026 0.032 -3.047 1.00 0.00 N ATOM 624 CA LYS A 43 -10.502 -0.300 -4.398 1.00 0.00 C ATOM 625 C LYS A 43 -9.370 -1.323 -4.272 1.00 0.00 C ATOM 626 O LYS A 43 -9.238 -2.224 -5.076 1.00 0.00 O ATOM 627 CB LYS A 43 -9.974 0.969 -5.059 1.00 0.00 C ATOM 628 CG LYS A 43 -11.131 1.937 -5.312 1.00 0.00 C ATOM 629 CD LYS A 43 -10.620 3.154 -6.084 1.00 0.00 C ATOM 630 CE LYS A 43 -11.753 4.170 -6.249 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.278 4.107 -7.642 1.00 0.00 N ATOM 0 H LYS A 43 -10.843 0.984 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.302 -0.722 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.226 1.439 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.481 0.723 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.918 1.439 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.569 2.252 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.784 3.609 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.248 2.847 -7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.552 3.959 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.390 5.174 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.048 4.797 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.514 4.329 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.640 3.151 -7.834 1.00 0.00 H new ATOM 645 N VAL A 44 -8.547 -1.180 -3.267 1.00 0.00 N ATOM 646 CA VAL A 44 -7.411 -2.130 -3.079 1.00 0.00 C ATOM 647 C VAL A 44 -7.936 -3.533 -2.776 1.00 0.00 C ATOM 648 O VAL A 44 -7.393 -4.515 -3.233 1.00 0.00 O ATOM 649 CB VAL A 44 -6.541 -1.657 -1.916 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.490 -2.723 -1.603 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.844 -0.349 -2.298 1.00 0.00 C ATOM 0 H VAL A 44 -8.613 -0.443 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.823 -2.161 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.165 -1.491 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.868 -2.388 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.986 -3.655 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.866 -2.887 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.223 -0.012 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.219 -0.513 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.593 0.410 -2.523 1.00 0.00 H new ATOM 661 N ILE A 45 -8.973 -3.641 -1.998 1.00 0.00 N ATOM 662 CA ILE A 45 -9.509 -4.988 -1.662 1.00 0.00 C ATOM 663 C ILE A 45 -9.889 -5.726 -2.948 1.00 0.00 C ATOM 664 O ILE A 45 -9.495 -6.855 -3.162 1.00 0.00 O ATOM 665 CB ILE A 45 -10.741 -4.822 -0.763 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.348 -5.061 0.698 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.828 -5.823 -1.164 1.00 0.00 C ATOM 668 CD1 ILE A 45 -9.077 -4.278 1.038 1.00 0.00 C ATOM 0 H ILE A 45 -9.473 -2.856 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.752 -5.570 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.127 -3.809 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.161 -4.753 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.185 -6.125 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.697 -5.695 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.117 -5.650 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.445 -6.838 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.808 -4.456 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.263 -4.607 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.254 -3.213 0.886 1.00 0.00 H new ATOM 680 N ALA A 46 -10.647 -5.104 -3.806 1.00 0.00 N ATOM 681 CA ALA A 46 -11.041 -5.784 -5.072 1.00 0.00 C ATOM 682 C ALA A 46 -9.808 -5.983 -5.956 1.00 0.00 C ATOM 683 O ALA A 46 -9.653 -7.000 -6.603 1.00 0.00 O ATOM 684 CB ALA A 46 -12.068 -4.926 -5.813 1.00 0.00 C ATOM 0 H ALA A 46 -11.010 -4.158 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.478 -6.755 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.357 -5.423 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.948 -4.789 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.632 -3.954 -6.043 1.00 0.00 H new ATOM 690 N TRP A 47 -8.931 -5.018 -5.991 1.00 0.00 N ATOM 691 CA TRP A 47 -7.710 -5.148 -6.835 1.00 0.00 C ATOM 692 C TRP A 47 -6.767 -6.190 -6.238 1.00 0.00 C ATOM 693 O TRP A 47 -6.172 -6.980 -6.941 1.00 0.00 O ATOM 694 CB TRP A 47 -6.985 -3.803 -6.898 1.00 0.00 C ATOM 695 CG TRP A 47 -5.624 -4.009 -7.482 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.350 -4.086 -8.804 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.352 -4.169 -6.790 1.00 0.00 C ATOM 698 NE1 TRP A 47 -3.990 -4.285 -8.966 1.00 0.00 N ATOM 699 CE2 TRP A 47 -3.333 -4.341 -7.755 1.00 0.00 C ATOM 700 CE3 TRP A 47 -3.988 -4.181 -5.431 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -1.999 -4.520 -7.387 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.645 -4.360 -5.057 1.00 0.00 C ATOM 703 CH2 TRP A 47 -1.653 -4.529 -6.033 1.00 0.00 C ATOM 0 H TRP A 47 -9.007 -4.144 -5.471 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.008 -5.459 -7.836 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.552 -3.098 -7.506 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.905 -3.372 -5.900 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.073 -4.005 -9.602 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.530 -4.379 -9.871 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.745 -4.052 -4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.239 -4.651 -8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.376 -4.367 -4.011 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.623 -4.666 -5.739 1.00 0.00 H new ATOM 714 N LEU A 48 -6.606 -6.177 -4.946 1.00 0.00 N ATOM 715 CA LEU A 48 -5.682 -7.144 -4.301 1.00 0.00 C ATOM 716 C LEU A 48 -6.155 -8.574 -4.562 1.00 0.00 C ATOM 717 O LEU A 48 -5.384 -9.429 -4.949 1.00 0.00 O ATOM 718 CB LEU A 48 -5.659 -6.876 -2.797 1.00 0.00 C ATOM 719 CG LEU A 48 -4.555 -7.696 -2.142 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.232 -6.951 -2.281 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.881 -7.892 -0.661 1.00 0.00 C ATOM 0 H LEU A 48 -7.077 -5.536 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.681 -7.025 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.495 -5.815 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.623 -7.132 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.479 -8.669 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.437 -7.532 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.005 -6.807 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.308 -5.980 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.093 -8.479 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.952 -6.920 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.831 -8.417 -0.564 1.00 0.00 H new ATOM 733 N GLU A 49 -7.416 -8.841 -4.371 1.00 0.00 N ATOM 734 CA GLU A 49 -7.920 -10.215 -4.630 1.00 0.00 C ATOM 735 C GLU A 49 -7.774 -10.515 -6.121 1.00 0.00 C ATOM 736 O GLU A 49 -7.339 -11.575 -6.515 1.00 0.00 O ATOM 737 CB GLU A 49 -9.394 -10.305 -4.209 1.00 0.00 C ATOM 738 CG GLU A 49 -9.969 -11.669 -4.584 1.00 0.00 C ATOM 739 CD GLU A 49 -11.446 -11.725 -4.190 1.00 0.00 C ATOM 740 OE1 GLU A 49 -11.948 -10.724 -3.706 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.050 -12.768 -4.378 1.00 0.00 O ATOM 0 H GLU A 49 -8.115 -8.171 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.348 -10.944 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.483 -10.148 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.967 -9.515 -4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.861 -11.839 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.416 -12.460 -4.078 1.00 0.00 H new ATOM 748 N ASP A 50 -8.123 -9.578 -6.950 1.00 0.00 N ATOM 749 CA ASP A 50 -7.999 -9.791 -8.417 1.00 0.00 C ATOM 750 C ASP A 50 -6.525 -9.909 -8.812 1.00 0.00 C ATOM 751 O ASP A 50 -6.156 -10.691 -9.664 1.00 0.00 O ATOM 752 CB ASP A 50 -8.609 -8.593 -9.138 1.00 0.00 C ATOM 753 CG ASP A 50 -8.675 -8.875 -10.639 1.00 0.00 C ATOM 754 OD1 ASP A 50 -8.353 -9.985 -11.029 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.047 -7.975 -11.375 1.00 0.00 O ATOM 0 H ASP A 50 -8.491 -8.667 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.517 -10.710 -8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.608 -8.394 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.011 -7.701 -8.952 1.00 0.00 H new ATOM 760 N ARG A 51 -5.689 -9.106 -8.217 1.00 0.00 N ATOM 761 CA ARG A 51 -4.240 -9.122 -8.567 1.00 0.00 C ATOM 762 C ARG A 51 -3.595 -10.476 -8.237 1.00 0.00 C ATOM 763 O ARG A 51 -2.828 -11.001 -9.019 1.00 0.00 O ATOM 764 CB ARG A 51 -3.532 -8.014 -7.777 1.00 0.00 C ATOM 765 CG ARG A 51 -2.072 -7.876 -8.230 1.00 0.00 C ATOM 766 CD ARG A 51 -1.995 -7.059 -9.525 1.00 0.00 C ATOM 767 NE ARG A 51 -0.565 -6.831 -9.879 1.00 0.00 N ATOM 768 CZ ARG A 51 0.183 -7.831 -10.256 1.00 0.00 C ATOM 769 NH1 ARG A 51 1.437 -7.629 -10.559 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.321 -9.032 -10.330 1.00 0.00 N ATOM 0 H ARG A 51 -5.949 -8.433 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.139 -8.957 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.054 -7.068 -7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.568 -8.240 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.486 -7.391 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.638 -8.863 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.502 -7.587 -10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.507 -6.105 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.171 -5.892 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.831 -6.690 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.023 -8.410 -10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.301 -9.190 -10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.264 -9.813 -10.625 1.00 0.00 H new ATOM 784 N PHE A 52 -3.864 -11.033 -7.080 1.00 0.00 N ATOM 785 CA PHE A 52 -3.223 -12.330 -6.712 1.00 0.00 C ATOM 786 C PHE A 52 -4.260 -13.386 -6.312 1.00 0.00 C ATOM 787 O PHE A 52 -3.908 -14.489 -5.943 1.00 0.00 O ATOM 788 CB PHE A 52 -2.273 -12.083 -5.544 1.00 0.00 C ATOM 789 CG PHE A 52 -1.009 -11.441 -6.063 1.00 0.00 C ATOM 790 CD1 PHE A 52 -0.869 -10.048 -6.041 1.00 0.00 C ATOM 791 CD2 PHE A 52 0.023 -12.240 -6.572 1.00 0.00 C ATOM 792 CE1 PHE A 52 0.301 -9.454 -6.528 1.00 0.00 C ATOM 793 CE2 PHE A 52 1.193 -11.646 -7.058 1.00 0.00 C ATOM 794 CZ PHE A 52 1.332 -10.254 -7.038 1.00 0.00 C ATOM 0 H PHE A 52 -4.497 -10.646 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.685 -12.711 -7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.746 -11.437 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.039 -13.023 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.664 -9.432 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.084 -13.315 -6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.409 -8.380 -6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.989 -12.262 -7.449 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.234 -9.796 -7.416 1.00 0.00 H new ATOM 804 N GLY A 53 -5.524 -13.082 -6.374 1.00 0.00 N ATOM 805 CA GLY A 53 -6.536 -14.107 -5.986 1.00 0.00 C ATOM 806 C GLY A 53 -6.554 -14.247 -4.462 1.00 0.00 C ATOM 807 O GLY A 53 -6.771 -15.317 -3.929 1.00 0.00 O ATOM 0 H GLY A 53 -5.899 -12.182 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.522 -13.816 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.296 -15.065 -6.448 1.00 0.00 H new ATOM 811 N ILE A 54 -6.324 -13.174 -3.755 1.00 0.00 N ATOM 812 CA ILE A 54 -6.322 -13.246 -2.267 1.00 0.00 C ATOM 813 C ILE A 54 -7.699 -12.835 -1.743 1.00 0.00 C ATOM 814 O ILE A 54 -8.284 -11.875 -2.198 1.00 0.00 O ATOM 815 CB ILE A 54 -5.260 -12.292 -1.722 1.00 0.00 C ATOM 816 CG1 ILE A 54 -3.902 -12.645 -2.331 1.00 0.00 C ATOM 817 CG2 ILE A 54 -5.181 -12.425 -0.201 1.00 0.00 C ATOM 818 CD1 ILE A 54 -2.883 -11.566 -1.965 1.00 0.00 C ATOM 0 H ILE A 54 -6.137 -12.250 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.099 -14.263 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.526 -11.268 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.568 -13.615 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.988 -12.727 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.423 -11.744 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.148 -12.177 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.916 -13.449 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.915 -11.817 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.216 -10.604 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.790 -11.506 -0.881 1.00 0.00 H new ATOM 830 N ALA A 55 -8.227 -13.558 -0.794 1.00 0.00 N ATOM 831 CA ALA A 55 -9.575 -13.212 -0.259 1.00 0.00 C ATOM 832 C ALA A 55 -9.540 -11.815 0.360 1.00 0.00 C ATOM 833 O ALA A 55 -8.585 -11.429 1.003 1.00 0.00 O ATOM 834 CB ALA A 55 -9.976 -14.232 0.808 1.00 0.00 C ATOM 0 H ALA A 55 -7.785 -14.372 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.301 -13.229 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.961 -13.980 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.005 -15.228 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.248 -14.216 1.619 1.00 0.00 H new ATOM 840 N ALA A 56 -10.581 -11.053 0.162 1.00 0.00 N ATOM 841 CA ALA A 56 -10.622 -9.677 0.727 1.00 0.00 C ATOM 842 C ALA A 56 -10.603 -9.744 2.257 1.00 0.00 C ATOM 843 O ALA A 56 -10.025 -8.905 2.919 1.00 0.00 O ATOM 844 CB ALA A 56 -11.905 -8.982 0.270 1.00 0.00 C ATOM 0 H ALA A 56 -11.408 -11.327 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.753 -9.118 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.939 -7.973 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.923 -8.930 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.769 -9.546 0.621 1.00 0.00 H new ATOM 850 N ASP A 57 -11.240 -10.732 2.821 1.00 0.00 N ATOM 851 CA ASP A 57 -11.274 -10.852 4.307 1.00 0.00 C ATOM 852 C ASP A 57 -10.240 -11.878 4.776 1.00 0.00 C ATOM 853 O ASP A 57 -10.270 -12.327 5.904 1.00 0.00 O ATOM 854 CB ASP A 57 -12.666 -11.297 4.749 1.00 0.00 C ATOM 855 CG ASP A 57 -13.678 -10.191 4.443 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.248 -9.088 4.150 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.865 -10.467 4.507 1.00 0.00 O ATOM 0 H ASP A 57 -11.740 -11.464 2.316 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.040 -9.883 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.947 -12.215 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.666 -11.519 5.816 1.00 0.00 H new ATOM 862 N ASP A 58 -9.329 -12.259 3.923 1.00 0.00 N ATOM 863 CA ASP A 58 -8.305 -13.262 4.334 1.00 0.00 C ATOM 864 C ASP A 58 -7.542 -12.741 5.555 1.00 0.00 C ATOM 865 O ASP A 58 -7.165 -13.496 6.429 1.00 0.00 O ATOM 866 CB ASP A 58 -7.325 -13.494 3.182 1.00 0.00 C ATOM 867 CG ASP A 58 -6.519 -12.218 2.932 1.00 0.00 C ATOM 868 OD1 ASP A 58 -5.437 -12.323 2.378 1.00 0.00 O ATOM 869 OD2 ASP A 58 -6.997 -11.156 3.298 1.00 0.00 O ATOM 0 H ASP A 58 -9.249 -11.921 2.964 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.798 -14.201 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.654 -14.319 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.868 -13.776 2.280 1.00 0.00 H new ATOM 874 N VAL A 59 -7.314 -11.459 5.618 1.00 0.00 N ATOM 875 CA VAL A 59 -6.577 -10.884 6.781 1.00 0.00 C ATOM 876 C VAL A 59 -7.349 -9.681 7.329 1.00 0.00 C ATOM 877 O VAL A 59 -8.155 -9.084 6.642 1.00 0.00 O ATOM 878 CB VAL A 59 -5.187 -10.433 6.330 1.00 0.00 C ATOM 879 CG1 VAL A 59 -4.442 -11.617 5.710 1.00 0.00 C ATOM 880 CG2 VAL A 59 -5.324 -9.317 5.293 1.00 0.00 C ATOM 0 H VAL A 59 -7.606 -10.782 4.913 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.480 -11.640 7.560 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.629 -10.063 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.451 -11.296 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.343 -12.412 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.000 -11.988 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.333 -8.995 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.883 -9.686 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.854 -8.473 5.735 1.00 0.00 H new ATOM 890 N GLU A 60 -7.110 -9.318 8.560 1.00 0.00 N ATOM 891 CA GLU A 60 -7.831 -8.151 9.143 1.00 0.00 C ATOM 892 C GLU A 60 -6.967 -6.898 8.992 1.00 0.00 C ATOM 893 O GLU A 60 -5.772 -6.929 9.205 1.00 0.00 O ATOM 894 CB GLU A 60 -8.102 -8.409 10.628 1.00 0.00 C ATOM 895 CG GLU A 60 -8.972 -9.652 10.779 1.00 0.00 C ATOM 896 CD GLU A 60 -9.309 -9.863 12.256 1.00 0.00 C ATOM 897 OE1 GLU A 60 -8.737 -9.169 13.079 1.00 0.00 O ATOM 898 OE2 GLU A 60 -10.135 -10.717 12.538 1.00 0.00 O ATOM 0 H GLU A 60 -6.448 -9.778 9.186 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.778 -8.007 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.161 -8.544 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.600 -7.547 11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.888 -9.541 10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.450 -10.524 10.386 1.00 0.00 H new ATOM 905 N LEU A 61 -7.563 -5.796 8.624 1.00 0.00 N ATOM 906 CA LEU A 61 -6.778 -4.542 8.453 1.00 0.00 C ATOM 907 C LEU A 61 -7.066 -3.586 9.613 1.00 0.00 C ATOM 908 O LEU A 61 -8.193 -3.435 10.042 1.00 0.00 O ATOM 909 CB LEU A 61 -7.168 -3.871 7.134 1.00 0.00 C ATOM 910 CG LEU A 61 -6.854 -4.808 5.967 1.00 0.00 C ATOM 911 CD1 LEU A 61 -7.793 -6.019 5.998 1.00 0.00 C ATOM 912 CD2 LEU A 61 -7.041 -4.056 4.648 1.00 0.00 C ATOM 0 H LEU A 61 -8.562 -5.711 8.434 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.715 -4.784 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.230 -3.625 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.624 -2.934 7.017 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.823 -5.152 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.562 -6.680 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.660 -6.558 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.826 -5.681 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.818 -4.722 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.072 -3.710 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.367 -3.200 4.619 1.00 0.00 H new ATOM 924 N SER A 62 -6.055 -2.931 10.115 1.00 0.00 N ATOM 925 CA SER A 62 -6.264 -1.975 11.237 1.00 0.00 C ATOM 926 C SER A 62 -5.436 -0.714 10.977 1.00 0.00 C ATOM 927 O SER A 62 -4.450 -0.752 10.271 1.00 0.00 O ATOM 928 CB SER A 62 -5.820 -2.620 12.550 1.00 0.00 C ATOM 929 OG SER A 62 -6.935 -2.713 13.427 1.00 0.00 O ATOM 0 H SER A 62 -5.090 -3.018 9.795 1.00 0.00 H new ATOM 0 HA SER A 62 -7.320 -1.714 11.307 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.408 -3.611 12.361 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.029 -2.028 13.010 1.00 0.00 H new ATOM 0 HG SER A 62 -6.655 -3.128 14.270 1.00 0.00 H new ATOM 935 N PRO A 63 -5.833 0.395 11.542 1.00 0.00 N ATOM 936 CA PRO A 63 -5.112 1.689 11.363 1.00 0.00 C ATOM 937 C PRO A 63 -3.660 1.613 11.843 1.00 0.00 C ATOM 938 O PRO A 63 -2.774 2.219 11.275 1.00 0.00 O ATOM 939 CB PRO A 63 -5.906 2.688 12.213 1.00 0.00 C ATOM 940 CG PRO A 63 -6.766 1.868 13.121 1.00 0.00 C ATOM 941 CD PRO A 63 -7.004 0.537 12.413 1.00 0.00 C ATOM 0 HA PRO A 63 -5.056 1.971 10.312 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.237 3.331 12.785 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.513 3.339 11.584 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.277 1.713 14.083 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.710 2.374 13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -7.078 -0.287 13.123 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.931 0.548 11.840 1.00 0.00 H new ATOM 949 N GLU A 64 -3.414 0.868 12.883 1.00 0.00 N ATOM 950 CA GLU A 64 -2.024 0.743 13.404 1.00 0.00 C ATOM 951 C GLU A 64 -1.153 0.005 12.385 1.00 0.00 C ATOM 952 O GLU A 64 0.044 0.203 12.317 1.00 0.00 O ATOM 953 CB GLU A 64 -2.041 -0.036 14.719 1.00 0.00 C ATOM 954 CG GLU A 64 -2.801 0.758 15.774 1.00 0.00 C ATOM 955 CD GLU A 64 -2.758 0.010 17.107 1.00 0.00 C ATOM 956 OE1 GLU A 64 -3.174 0.585 18.101 1.00 0.00 O ATOM 957 OE2 GLU A 64 -2.311 -1.125 17.113 1.00 0.00 O ATOM 0 H GLU A 64 -4.118 0.338 13.397 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.613 1.738 13.574 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.512 -1.008 14.572 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.021 -0.224 15.055 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.360 1.748 15.887 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.835 0.903 15.460 1.00 0.00 H new ATOM 964 N HIS A 65 -1.743 -0.856 11.602 1.00 0.00 N ATOM 965 CA HIS A 65 -0.950 -1.622 10.598 1.00 0.00 C ATOM 966 C HIS A 65 -0.426 -0.682 9.508 1.00 0.00 C ATOM 967 O HIS A 65 0.585 -0.944 8.886 1.00 0.00 O ATOM 968 CB HIS A 65 -1.841 -2.688 9.960 1.00 0.00 C ATOM 969 CG HIS A 65 -1.062 -3.429 8.909 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.111 -3.077 7.567 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.213 -4.505 8.986 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.312 -3.927 6.896 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.257 -4.813 7.715 1.00 0.00 N ATOM 0 H HIS A 65 -2.742 -1.063 11.614 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.103 -2.093 11.097 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.197 -3.382 10.721 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.721 -2.223 9.515 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.654 -2.313 7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.049 -5.030 9.893 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.152 -3.896 5.828 1.00 0.00 H new ATOM 982 N PHE A 66 -1.106 0.403 9.263 1.00 0.00 N ATOM 983 CA PHE A 66 -0.648 1.348 8.203 1.00 0.00 C ATOM 984 C PHE A 66 0.054 2.550 8.839 1.00 0.00 C ATOM 985 O PHE A 66 0.297 3.551 8.197 1.00 0.00 O ATOM 986 CB PHE A 66 -1.853 1.807 7.385 1.00 0.00 C ATOM 987 CG PHE A 66 -2.395 0.623 6.620 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.135 0.492 5.251 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.137 -0.357 7.288 1.00 0.00 C ATOM 990 CE1 PHE A 66 -2.622 -0.617 4.550 1.00 0.00 C ATOM 991 CE2 PHE A 66 -3.626 -1.465 6.586 1.00 0.00 C ATOM 992 CZ PHE A 66 -3.368 -1.595 5.217 1.00 0.00 C ATOM 0 H PHE A 66 -1.959 0.678 9.750 1.00 0.00 H new ATOM 0 HA PHE A 66 0.061 0.844 7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.621 2.218 8.040 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.563 2.601 6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.559 1.246 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.333 -0.259 8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.422 -0.718 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.202 -2.219 7.101 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.745 -2.450 4.675 1.00 0.00 H new ATOM 1002 N ARG A 67 0.392 2.451 10.095 1.00 0.00 N ATOM 1003 CA ARG A 67 1.092 3.578 10.774 1.00 0.00 C ATOM 1004 C ARG A 67 2.324 3.969 9.954 1.00 0.00 C ATOM 1005 O ARG A 67 2.717 5.118 9.912 1.00 0.00 O ATOM 1006 CB ARG A 67 1.528 3.127 12.176 1.00 0.00 C ATOM 1007 CG ARG A 67 2.176 4.286 12.941 1.00 0.00 C ATOM 1008 CD ARG A 67 1.094 5.181 13.554 1.00 0.00 C ATOM 1009 NE ARG A 67 1.739 6.300 14.297 1.00 0.00 N ATOM 1010 CZ ARG A 67 1.084 7.410 14.503 1.00 0.00 C ATOM 1011 NH1 ARG A 67 1.649 8.390 15.154 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -0.135 7.540 14.058 1.00 0.00 N ATOM 0 H ARG A 67 0.213 1.636 10.682 1.00 0.00 H new ATOM 0 HA ARG A 67 0.424 4.435 10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.665 2.757 12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.233 2.299 12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.825 3.897 13.726 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.804 4.870 12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.446 5.575 12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.463 4.599 14.226 1.00 0.00 H new ATOM 0 HE ARG A 67 2.693 6.199 14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.602 8.288 15.502 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.137 9.257 15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.576 6.774 13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.647 8.407 14.219 1.00 0.00 H new ATOM 1026 N SER A 68 2.942 3.019 9.310 1.00 0.00 N ATOM 1027 CA SER A 68 4.156 3.327 8.497 1.00 0.00 C ATOM 1028 C SER A 68 4.276 2.332 7.338 1.00 0.00 C ATOM 1029 O SER A 68 3.827 1.206 7.424 1.00 0.00 O ATOM 1030 CB SER A 68 5.398 3.226 9.383 1.00 0.00 C ATOM 1031 OG SER A 68 6.538 3.640 8.642 1.00 0.00 O ATOM 0 H SER A 68 2.659 2.039 9.310 1.00 0.00 H new ATOM 0 HA SER A 68 4.071 4.336 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.279 3.850 10.268 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.528 2.201 9.731 1.00 0.00 H new ATOM 0 HG SER A 68 7.336 3.578 9.208 1.00 0.00 H new ATOM 1037 N ILE A 69 4.880 2.740 6.254 1.00 0.00 N ATOM 1038 CA ILE A 69 5.033 1.830 5.090 1.00 0.00 C ATOM 1039 C ILE A 69 5.854 0.599 5.488 1.00 0.00 C ATOM 1040 O ILE A 69 5.605 -0.498 5.030 1.00 0.00 O ATOM 1041 CB ILE A 69 5.758 2.577 3.972 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.948 3.799 3.565 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.910 1.664 2.769 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.736 4.620 2.542 1.00 0.00 C ATOM 0 H ILE A 69 5.275 3.672 6.127 1.00 0.00 H new ATOM 0 HA ILE A 69 4.049 1.506 4.752 1.00 0.00 H new ATOM 0 HB ILE A 69 6.740 2.888 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.993 3.490 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.725 4.408 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.427 2.197 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.487 0.784 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.925 1.355 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.154 5.495 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.680 4.942 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.936 4.009 1.662 1.00 0.00 H new ATOM 1056 N ARG A 70 6.840 0.775 6.323 1.00 0.00 N ATOM 1057 CA ARG A 70 7.688 -0.382 6.732 1.00 0.00 C ATOM 1058 C ARG A 70 6.833 -1.445 7.427 1.00 0.00 C ATOM 1059 O ARG A 70 7.011 -2.629 7.216 1.00 0.00 O ATOM 1060 CB ARG A 70 8.773 0.103 7.696 1.00 0.00 C ATOM 1061 CG ARG A 70 9.708 -1.058 8.040 1.00 0.00 C ATOM 1062 CD ARG A 70 10.801 -0.567 8.991 1.00 0.00 C ATOM 1063 NE ARG A 70 10.200 -0.245 10.314 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.960 -0.143 11.371 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.431 0.139 12.530 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.248 -0.322 11.267 1.00 0.00 N ATOM 0 H ARG A 70 7.096 1.670 6.741 1.00 0.00 H new ATOM 0 HA ARG A 70 8.146 -0.819 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.339 0.917 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.317 0.498 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.145 -1.868 8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.155 -1.460 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.569 -1.332 9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.289 0.315 8.577 1.00 0.00 H new ATOM 0 HE ARG A 70 9.193 -0.104 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.424 0.280 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.025 0.219 13.356 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.661 -0.541 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.842 -0.242 12.092 1.00 0.00 H new ATOM 1080 N SER A 71 5.914 -1.041 8.260 1.00 0.00 N ATOM 1081 CA SER A 71 5.065 -2.039 8.966 1.00 0.00 C ATOM 1082 C SER A 71 4.278 -2.868 7.948 1.00 0.00 C ATOM 1083 O SER A 71 4.144 -4.068 8.084 1.00 0.00 O ATOM 1084 CB SER A 71 4.091 -1.303 9.885 1.00 0.00 C ATOM 1085 OG SER A 71 4.821 -0.439 10.747 1.00 0.00 O ATOM 0 H SER A 71 5.715 -0.065 8.481 1.00 0.00 H new ATOM 0 HA SER A 71 5.698 -2.705 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.378 -0.728 9.293 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.515 -2.019 10.471 1.00 0.00 H new ATOM 0 HG SER A 71 4.199 0.036 11.337 1.00 0.00 H new ATOM 1091 N ILE A 72 3.753 -2.239 6.932 1.00 0.00 N ATOM 1092 CA ILE A 72 2.974 -2.986 5.912 1.00 0.00 C ATOM 1093 C ILE A 72 3.893 -3.932 5.135 1.00 0.00 C ATOM 1094 O ILE A 72 3.530 -5.050 4.826 1.00 0.00 O ATOM 1095 CB ILE A 72 2.342 -1.985 4.947 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.432 -1.031 5.722 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.522 -2.737 3.907 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.897 0.045 4.775 1.00 0.00 C ATOM 0 H ILE A 72 3.832 -1.236 6.767 1.00 0.00 H new ATOM 0 HA ILE A 72 2.200 -3.574 6.405 1.00 0.00 H new ATOM 0 HB ILE A 72 3.126 -1.413 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.604 -1.583 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.984 -0.569 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.069 -2.025 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.171 -3.417 3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.738 -3.308 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.248 0.725 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.731 0.603 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.330 -0.426 3.972 1.00 0.00 H new ATOM 1110 N ASP A 73 5.073 -3.487 4.802 1.00 0.00 N ATOM 1111 CA ASP A 73 6.009 -4.353 4.030 1.00 0.00 C ATOM 1112 C ASP A 73 6.305 -5.641 4.803 1.00 0.00 C ATOM 1113 O ASP A 73 6.380 -6.710 4.233 1.00 0.00 O ATOM 1114 CB ASP A 73 7.317 -3.596 3.790 1.00 0.00 C ATOM 1115 CG ASP A 73 8.177 -4.368 2.788 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.691 -5.350 2.253 1.00 0.00 O ATOM 1117 OD2 ASP A 73 9.308 -3.962 2.572 1.00 0.00 O ATOM 0 H ASP A 73 5.430 -2.560 5.031 1.00 0.00 H new ATOM 0 HA ASP A 73 5.547 -4.611 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.106 -2.596 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.856 -3.473 4.729 1.00 0.00 H new ATOM 1122 N ALA A 74 6.485 -5.550 6.091 1.00 0.00 N ATOM 1123 CA ALA A 74 6.789 -6.777 6.881 1.00 0.00 C ATOM 1124 C ALA A 74 5.587 -7.721 6.868 1.00 0.00 C ATOM 1125 O ALA A 74 5.730 -8.919 6.730 1.00 0.00 O ATOM 1126 CB ALA A 74 7.116 -6.387 8.324 1.00 0.00 C ATOM 0 H ALA A 74 6.435 -4.685 6.629 1.00 0.00 H new ATOM 0 HA ALA A 74 7.645 -7.284 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.338 -7.284 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.982 -5.725 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.261 -5.874 8.765 1.00 0.00 H new ATOM 1132 N PHE A 75 4.403 -7.195 7.010 1.00 0.00 N ATOM 1133 CA PHE A 75 3.201 -8.073 7.006 1.00 0.00 C ATOM 1134 C PHE A 75 3.092 -8.782 5.656 1.00 0.00 C ATOM 1135 O PHE A 75 2.928 -9.985 5.585 1.00 0.00 O ATOM 1136 CB PHE A 75 1.952 -7.227 7.237 1.00 0.00 C ATOM 1137 CG PHE A 75 0.749 -8.129 7.371 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.050 -8.401 6.253 1.00 0.00 C ATOM 1139 CD2 PHE A 75 0.433 -8.695 8.612 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.167 -9.237 6.378 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -0.684 -9.531 8.736 1.00 0.00 C ATOM 1142 CZ PHE A 75 -1.483 -9.802 7.618 1.00 0.00 C ATOM 0 H PHE A 75 4.216 -6.199 7.128 1.00 0.00 H new ATOM 0 HA PHE A 75 3.291 -8.814 7.800 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.070 -6.624 8.138 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.810 -6.535 6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.195 -7.966 5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.050 -8.487 9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.784 -9.445 5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.929 -9.967 9.693 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.344 -10.448 7.713 1.00 0.00 H new ATOM 1152 N VAL A 76 3.186 -8.048 4.582 1.00 0.00 N ATOM 1153 CA VAL A 76 3.090 -8.678 3.243 1.00 0.00 C ATOM 1154 C VAL A 76 4.285 -9.609 3.028 1.00 0.00 C ATOM 1155 O VAL A 76 4.132 -10.735 2.606 1.00 0.00 O ATOM 1156 CB VAL A 76 3.094 -7.583 2.178 1.00 0.00 C ATOM 1157 CG1 VAL A 76 3.239 -8.218 0.801 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.778 -6.804 2.243 1.00 0.00 C ATOM 0 H VAL A 76 3.325 -7.038 4.578 1.00 0.00 H new ATOM 0 HA VAL A 76 2.169 -9.257 3.172 1.00 0.00 H new ATOM 0 HB VAL A 76 3.928 -6.904 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.242 -7.438 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.175 -8.775 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.404 -8.896 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.780 -6.022 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.944 -7.483 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.671 -6.351 3.229 1.00 0.00 H new ATOM 1168 N VAL A 77 5.473 -9.155 3.324 1.00 0.00 N ATOM 1169 CA VAL A 77 6.664 -10.021 3.134 1.00 0.00 C ATOM 1170 C VAL A 77 6.510 -11.288 3.971 1.00 0.00 C ATOM 1171 O VAL A 77 6.871 -12.370 3.552 1.00 0.00 O ATOM 1172 CB VAL A 77 7.909 -9.258 3.579 1.00 0.00 C ATOM 1173 CG1 VAL A 77 9.084 -10.224 3.673 1.00 0.00 C ATOM 1174 CG2 VAL A 77 8.231 -8.166 2.555 1.00 0.00 C ATOM 0 H VAL A 77 5.667 -8.222 3.689 1.00 0.00 H new ATOM 0 HA VAL A 77 6.759 -10.296 2.083 1.00 0.00 H new ATOM 0 HB VAL A 77 7.729 -8.802 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.975 -9.683 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.856 -11.005 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.262 -10.676 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.120 -7.621 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.413 -8.622 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.390 -7.477 2.481 1.00 0.00 H new ATOM 1184 N GLY A 78 5.979 -11.163 5.153 1.00 0.00 N ATOM 1185 CA GLY A 78 5.803 -12.359 6.020 1.00 0.00 C ATOM 1186 C GLY A 78 4.946 -13.404 5.300 1.00 0.00 C ATOM 1187 O GLY A 78 5.129 -14.592 5.479 1.00 0.00 O ATOM 0 H GLY A 78 5.659 -10.283 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.775 -12.783 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.329 -12.072 6.959 1.00 0.00 H new ATOM 1191 N ALA A 79 4.007 -12.978 4.493 1.00 0.00 N ATOM 1192 CA ALA A 79 3.143 -13.963 3.779 1.00 0.00 C ATOM 1193 C ALA A 79 3.556 -14.068 2.310 1.00 0.00 C ATOM 1194 O ALA A 79 3.779 -15.145 1.794 1.00 0.00 O ATOM 1195 CB ALA A 79 1.684 -13.509 3.863 1.00 0.00 C ATOM 0 H ALA A 79 3.803 -11.997 4.299 1.00 0.00 H new ATOM 0 HA ALA A 79 3.258 -14.940 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.049 -14.226 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.381 -13.448 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.581 -12.529 3.398 1.00 0.00 H new ATOM 1201 N THR A 80 3.661 -12.961 1.631 1.00 0.00 N ATOM 1202 CA THR A 80 4.060 -13.003 0.195 1.00 0.00 C ATOM 1203 C THR A 80 4.729 -11.683 -0.194 1.00 0.00 C ATOM 1204 O THR A 80 4.452 -10.647 0.373 1.00 0.00 O ATOM 1205 CB THR A 80 2.818 -13.228 -0.673 1.00 0.00 C ATOM 1206 OG1 THR A 80 3.220 -13.588 -1.986 1.00 0.00 O ATOM 1207 CG2 THR A 80 1.983 -11.948 -0.723 1.00 0.00 C ATOM 0 H THR A 80 3.488 -12.029 2.007 1.00 0.00 H new ATOM 0 HA THR A 80 4.764 -13.820 0.039 1.00 0.00 H new ATOM 0 HB THR A 80 2.217 -14.030 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.427 -13.734 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.101 -12.113 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.673 -11.676 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.579 -11.141 -1.149 1.00 0.00 H new ATOM 1215 N THR A 81 5.600 -11.711 -1.164 1.00 0.00 N ATOM 1216 CA THR A 81 6.284 -10.461 -1.594 1.00 0.00 C ATOM 1217 C THR A 81 6.042 -10.243 -3.092 1.00 0.00 C ATOM 1218 O THR A 81 6.809 -10.689 -3.921 1.00 0.00 O ATOM 1219 CB THR A 81 7.783 -10.599 -1.325 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.492 -9.644 -2.101 1.00 0.00 O ATOM 1221 CG2 THR A 81 8.243 -12.008 -1.699 1.00 0.00 C ATOM 0 H THR A 81 5.868 -12.550 -1.679 1.00 0.00 H new ATOM 0 HA THR A 81 5.891 -9.609 -1.040 1.00 0.00 H new ATOM 0 HB THR A 81 7.980 -10.425 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.817 -8.926 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.312 -12.105 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.699 -12.739 -1.101 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.047 -12.186 -2.756 1.00 0.00 H new ATOM 1229 N PRO A 82 4.970 -9.570 -3.433 1.00 0.00 N ATOM 1230 CA PRO A 82 4.599 -9.292 -4.845 1.00 0.00 C ATOM 1231 C PRO A 82 5.140 -7.944 -5.354 1.00 0.00 C ATOM 1232 O PRO A 82 4.656 -6.900 -4.966 1.00 0.00 O ATOM 1233 CB PRO A 82 3.076 -9.238 -4.767 1.00 0.00 C ATOM 1234 CG PRO A 82 2.772 -8.687 -3.407 1.00 0.00 C ATOM 1235 CD PRO A 82 3.979 -9.000 -2.510 1.00 0.00 C ATOM 0 HA PRO A 82 5.006 -10.034 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 82 2.664 -8.602 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.640 -10.228 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.599 -7.612 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.865 -9.138 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.358 -8.102 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.717 -9.704 -1.720 1.00 0.00 H new ATOM 1243 N PRO A 83 6.123 -7.956 -6.225 1.00 0.00 N ATOM 1244 CA PRO A 83 6.699 -6.704 -6.784 1.00 0.00 C ATOM 1245 C PRO A 83 5.832 -6.136 -7.912 1.00 0.00 C ATOM 1246 O PRO A 83 5.366 -6.863 -8.767 1.00 0.00 O ATOM 1247 CB PRO A 83 8.061 -7.141 -7.319 1.00 0.00 C ATOM 1248 CG PRO A 83 7.912 -8.590 -7.657 1.00 0.00 C ATOM 1249 CD PRO A 83 6.793 -9.150 -6.770 1.00 0.00 C ATOM 0 HA PRO A 83 6.763 -5.911 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.342 -6.560 -8.197 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.842 -6.990 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.666 -8.716 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.846 -9.124 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.101 -9.766 -7.345 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.194 -9.778 -5.975 1.00 0.00 H new ATOM 1257 N VAL A 84 5.608 -4.849 -7.918 1.00 0.00 N ATOM 1258 CA VAL A 84 4.766 -4.240 -8.991 1.00 0.00 C ATOM 1259 C VAL A 84 5.553 -3.134 -9.697 1.00 0.00 C ATOM 1260 O VAL A 84 6.102 -2.251 -9.069 1.00 0.00 O ATOM 1261 CB VAL A 84 3.503 -3.648 -8.363 1.00 0.00 C ATOM 1262 CG1 VAL A 84 2.576 -3.130 -9.464 1.00 0.00 C ATOM 1263 CG2 VAL A 84 2.781 -4.729 -7.557 1.00 0.00 C ATOM 0 H VAL A 84 5.971 -4.192 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 84 4.491 -5.004 -9.718 1.00 0.00 H new ATOM 0 HB VAL A 84 3.778 -2.824 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.677 -2.709 -9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.089 -2.359 -10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.300 -3.952 -10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.881 -4.308 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.507 -5.553 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.440 -5.097 -6.771 1.00 0.00 H new ATOM 1273 N GLU A 85 5.607 -3.171 -11.002 1.00 0.00 N ATOM 1274 CA GLU A 85 6.353 -2.117 -11.746 1.00 0.00 C ATOM 1275 C GLU A 85 5.626 -0.778 -11.600 1.00 0.00 C ATOM 1276 O GLU A 85 6.240 0.264 -11.488 1.00 0.00 O ATOM 1277 CB GLU A 85 6.429 -2.496 -13.227 1.00 0.00 C ATOM 1278 CG GLU A 85 7.256 -3.774 -13.385 1.00 0.00 C ATOM 1279 CD GLU A 85 7.388 -4.115 -14.870 1.00 0.00 C ATOM 1280 OE1 GLU A 85 6.720 -3.478 -15.666 1.00 0.00 O ATOM 1281 OE2 GLU A 85 8.156 -5.010 -15.185 1.00 0.00 O ATOM 0 H GLU A 85 5.167 -3.885 -11.583 1.00 0.00 H new ATOM 0 HA GLU A 85 7.361 -2.030 -11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.426 -2.647 -13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.881 -1.685 -13.798 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.243 -3.638 -12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.779 -4.597 -12.853 1.00 0.00 H new ATOM 1288 N ALA A 86 4.321 -0.799 -11.600 1.00 0.00 N ATOM 1289 CA ALA A 86 3.553 0.471 -11.461 1.00 0.00 C ATOM 1290 C ALA A 86 2.168 0.171 -10.885 1.00 0.00 C ATOM 1291 O ALA A 86 1.636 -0.908 -11.054 1.00 0.00 O ATOM 1292 CB ALA A 86 3.403 1.129 -12.834 1.00 0.00 C ATOM 0 H ALA A 86 3.753 -1.641 -11.690 1.00 0.00 H new ATOM 0 HA ALA A 86 4.086 1.145 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.841 2.058 -12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.390 1.344 -13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.871 0.454 -13.505 1.00 0.00 H new ATOM 1298 N LYS A 87 1.578 1.116 -10.208 1.00 0.00 N ATOM 1299 CA LYS A 87 0.227 0.883 -9.622 1.00 0.00 C ATOM 1300 C LYS A 87 -0.756 0.521 -10.736 1.00 0.00 C ATOM 1301 O LYS A 87 -1.626 -0.309 -10.564 1.00 0.00 O ATOM 1302 CB LYS A 87 -0.251 2.156 -8.917 1.00 0.00 C ATOM 1303 CG LYS A 87 -1.551 1.865 -8.165 1.00 0.00 C ATOM 1304 CD LYS A 87 -2.074 3.156 -7.530 1.00 0.00 C ATOM 1305 CE LYS A 87 -3.212 2.826 -6.563 1.00 0.00 C ATOM 1306 NZ LYS A 87 -3.815 1.516 -6.934 1.00 0.00 N ATOM 0 H LYS A 87 1.972 2.040 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 87 0.280 0.066 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.512 2.508 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.410 2.950 -9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.295 1.456 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.378 1.113 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.269 3.665 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.427 3.837 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.835 2.789 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.969 3.609 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.715 1.393 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.987 1.491 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.164 0.748 -6.674 1.00 0.00 H new ATOM 1320 N LEU A 88 -0.627 1.139 -11.878 1.00 0.00 N ATOM 1321 CA LEU A 88 -1.556 0.832 -13.003 1.00 0.00 C ATOM 1322 C LEU A 88 -1.450 -0.651 -13.363 1.00 0.00 C ATOM 1323 O LEU A 88 -2.423 -1.283 -13.725 1.00 0.00 O ATOM 1324 CB LEU A 88 -1.180 1.679 -14.221 1.00 0.00 C ATOM 1325 CG LEU A 88 -1.213 3.163 -13.847 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -0.919 4.008 -15.087 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -2.599 3.523 -13.305 1.00 0.00 C ATOM 0 H LEU A 88 0.082 1.844 -12.081 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.578 1.061 -12.702 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.186 1.405 -14.574 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.873 1.485 -15.039 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.460 3.361 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.942 5.065 -14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.067 3.753 -15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.672 3.809 -15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.622 4.580 -13.039 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.351 3.324 -14.069 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.812 2.921 -12.421 1.00 0.00 H new ATOM 1339 N GLN A 89 -0.276 -1.214 -13.266 1.00 0.00 N ATOM 1340 CA GLN A 89 -0.111 -2.656 -13.603 1.00 0.00 C ATOM 1341 C GLN A 89 -0.064 -3.479 -12.316 1.00 0.00 C ATOM 1342 O GLN A 89 0.999 -3.554 -11.722 1.00 0.00 O ATOM 1343 CB GLN A 89 1.191 -2.851 -14.383 1.00 0.00 C ATOM 1344 CG GLN A 89 1.295 -4.305 -14.846 1.00 0.00 C ATOM 1345 CD GLN A 89 2.642 -4.528 -15.535 1.00 0.00 C ATOM 1346 OE1 GLN A 89 2.984 -5.640 -15.884 1.00 0.00 O ATOM 1347 NE2 GLN A 89 3.429 -3.508 -15.747 1.00 0.00 N ATOM 1348 OXT GLN A 89 -1.092 -4.021 -11.944 1.00 0.00 O ATOM 0 H GLN A 89 0.575 -0.738 -12.968 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.952 -2.985 -14.213 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.216 -2.182 -15.243 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.045 -2.596 -13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.195 -4.977 -13.993 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.481 -4.538 -15.532 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.143 -2.574 -15.454 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.330 -3.645 -16.205 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -4.613 1.033 5.332 1.00 0.00 O HETATM 1359 P 7V9 A 101 -11.614 4.297 6.430 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -9.680 0.816 7.524 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -10.342 2.304 9.426 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -12.324 5.319 7.230 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -10.311 4.621 5.812 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -11.414 2.987 7.350 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -11.027 3.441 8.653 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -10.902 2.254 10.848 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -8.834 2.560 9.488 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -10.605 0.966 8.732 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -10.351 -0.091 9.648 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -10.104 0.923 6.390 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -8.418 0.563 7.752 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -7.383 1.084 6.817 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -6.465 -0.056 6.377 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -5.636 0.399 5.172 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -6.222 0.371 4.006 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -5.561 -0.308 2.853 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -4.925 0.738 1.937 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -4.172 -0.088 0.513 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -2.451 0.035 1.063 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -1.864 1.095 0.989 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -1.967 -1.084 0.375 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -1.306 -2.099 1.077 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -1.122 -3.305 0.517 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -1.561 -3.574 -0.722 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -2.228 -2.594 -1.468 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -2.363 -1.312 -0.941 1.00 0.00 C