USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 LYS NZ :NH3+ -155:sc= 2.13 (180deg=0.605) USER MOD Set 1.2: A 38 TYR OH : rot 30:sc= 1 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.776 K(o=0.78,f=-3.8!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 50 THR OG1 : rot -160:sc= -1 USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 1.32 (180deg=1.17) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.22 (180deg=1.14) USER MOD Single : A 59 SER OG : rot -42:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 1.22 (180deg=1.18) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00623 K(o=-0.0062,f=-1.5!) USER MOD Single : A 86 HIS : no HE2:sc= 0.691 K(o=0.69,f=-2.8!) USER MOD Single : A 88 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.029) USER MOD Single : A 91 MET CE :methyl -131:sc= -0.0201 (180deg=-1.3) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= 1.22 (180deg=-0.162) USER MOD Single : A 120 MET CE :methyl -155:sc= -0.013 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.950 9.927 0.781 1.00 0.00 N ATOM 42 CA GLN A 30 6.982 8.990 1.213 1.00 0.00 C ATOM 43 C GLN A 30 7.487 8.143 0.045 1.00 0.00 C ATOM 44 O GLN A 30 6.701 7.563 -0.705 1.00 0.00 O ATOM 45 CB GLN A 30 6.446 8.084 2.326 1.00 0.00 C ATOM 46 CG GLN A 30 7.052 8.370 3.691 1.00 0.00 C ATOM 47 CD GLN A 30 6.142 9.207 4.574 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.509 8.697 5.493 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.072 10.500 4.301 1.00 0.00 N ATOM 0 HA GLN A 30 7.820 9.571 1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.364 8.200 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.641 7.045 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.270 7.427 4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.002 8.888 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.613 10.888 3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.477 11.108 4.863 1.00 0.00 H new ATOM 58 N LYS A 31 8.805 8.078 -0.100 1.00 0.00 N ATOM 59 CA LYS A 31 9.420 7.304 -1.173 1.00 0.00 C ATOM 60 C LYS A 31 9.690 5.870 -0.720 1.00 0.00 C ATOM 61 O LYS A 31 10.332 5.643 0.306 1.00 0.00 O ATOM 62 CB LYS A 31 10.726 7.965 -1.620 1.00 0.00 C ATOM 63 CG LYS A 31 10.655 8.576 -3.010 1.00 0.00 C ATOM 64 CD LYS A 31 11.546 9.802 -3.128 1.00 0.00 C ATOM 65 CE LYS A 31 10.769 11.083 -2.866 1.00 0.00 C ATOM 66 NZ LYS A 31 11.672 12.255 -2.698 1.00 0.00 N ATOM 0 H LYS A 31 9.469 8.552 0.512 1.00 0.00 H new ATOM 0 HA LYS A 31 8.728 7.277 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.994 8.742 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.525 7.223 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.956 7.834 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.625 8.851 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.370 9.724 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.985 9.839 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.084 11.268 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.161 10.962 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.104 13.108 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.309 12.090 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.235 12.387 -3.563 1.00 0.00 H new ATOM 80 N ALA A 32 9.191 4.908 -1.488 1.00 0.00 N ATOM 81 CA ALA A 32 9.383 3.497 -1.167 1.00 0.00 C ATOM 82 C ALA A 32 10.832 3.067 -1.402 1.00 0.00 C ATOM 83 O ALA A 32 11.511 3.589 -2.291 1.00 0.00 O ATOM 84 CB ALA A 32 8.434 2.639 -1.986 1.00 0.00 C ATOM 0 H ALA A 32 8.651 5.078 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 32 9.162 3.357 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.587 1.589 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.405 2.919 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.629 2.793 -3.047 1.00 0.00 H new ATOM 90 N GLN A 33 11.299 2.105 -0.613 1.00 0.00 N ATOM 91 CA GLN A 33 12.671 1.623 -0.739 1.00 0.00 C ATOM 92 C GLN A 33 12.825 0.702 -1.950 1.00 0.00 C ATOM 93 O GLN A 33 11.946 -0.111 -2.253 1.00 0.00 O ATOM 94 CB GLN A 33 13.117 0.912 0.546 1.00 0.00 C ATOM 95 CG GLN A 33 12.505 -0.464 0.751 1.00 0.00 C ATOM 96 CD GLN A 33 12.811 -1.044 2.117 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.965 -1.270 2.466 1.00 0.00 O ATOM 98 NE2 GLN A 33 11.775 -1.283 2.905 1.00 0.00 N ATOM 0 H GLN A 33 10.753 1.646 0.116 1.00 0.00 H new ATOM 0 HA GLN A 33 13.316 2.488 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.203 0.815 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.863 1.540 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.425 -0.399 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.877 -1.141 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.830 -1.082 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.922 -1.668 3.838 1.00 0.00 H new ATOM 107 N GLN A 34 13.943 0.846 -2.647 1.00 0.00 N ATOM 108 CA GLN A 34 14.220 0.036 -3.826 1.00 0.00 C ATOM 109 C GLN A 34 15.118 -1.149 -3.475 1.00 0.00 C ATOM 110 O GLN A 34 16.266 -0.973 -3.063 1.00 0.00 O ATOM 111 CB GLN A 34 14.874 0.895 -4.914 1.00 0.00 C ATOM 112 CG GLN A 34 14.003 2.052 -5.381 1.00 0.00 C ATOM 113 CD GLN A 34 14.546 3.404 -4.954 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.584 3.849 -5.432 1.00 0.00 O ATOM 115 NE2 GLN A 34 13.846 4.068 -4.049 1.00 0.00 N ATOM 0 H GLN A 34 14.675 1.518 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 34 13.275 -0.355 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.817 1.290 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.114 0.263 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.922 2.025 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.996 1.927 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.987 3.666 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.165 4.982 -3.727 1.00 0.00 H new ATOM 124 N LYS A 35 14.582 -2.353 -3.633 1.00 0.00 N ATOM 125 CA LYS A 35 15.323 -3.573 -3.329 1.00 0.00 C ATOM 126 C LYS A 35 15.987 -4.156 -4.584 1.00 0.00 C ATOM 127 O LYS A 35 16.307 -3.431 -5.529 1.00 0.00 O ATOM 128 CB LYS A 35 14.388 -4.612 -2.701 1.00 0.00 C ATOM 129 CG LYS A 35 13.552 -4.077 -1.548 1.00 0.00 C ATOM 130 CD LYS A 35 14.088 -4.549 -0.205 1.00 0.00 C ATOM 131 CE LYS A 35 12.976 -4.682 0.824 1.00 0.00 C ATOM 132 NZ LYS A 35 12.574 -6.101 1.036 1.00 0.00 N ATOM 0 H LYS A 35 13.633 -2.512 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 35 16.111 -3.318 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.721 -4.998 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.983 -5.453 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.546 -2.987 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.519 -4.404 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.587 -5.510 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.837 -3.845 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.306 -4.254 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.110 -4.105 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.594 -6.136 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.643 -6.619 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.205 -6.539 1.737 1.00 0.00 H new ATOM 146 N ASN A 36 16.178 -5.474 -4.596 1.00 0.00 N ATOM 147 CA ASN A 36 16.814 -6.156 -5.723 1.00 0.00 C ATOM 148 C ASN A 36 15.826 -6.440 -6.861 1.00 0.00 C ATOM 149 O ASN A 36 15.427 -7.584 -7.079 1.00 0.00 O ATOM 150 CB ASN A 36 17.446 -7.466 -5.248 1.00 0.00 C ATOM 151 CG ASN A 36 18.712 -7.808 -6.010 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.808 -7.419 -5.623 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.566 -8.540 -7.102 1.00 0.00 N ATOM 0 H ASN A 36 15.900 -6.094 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 36 17.584 -5.491 -6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.674 -7.391 -4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.726 -8.276 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.383 -8.800 -7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.637 -8.845 -7.391 1.00 0.00 H new ATOM 160 N GLY A 37 15.436 -5.393 -7.585 1.00 0.00 N ATOM 161 CA GLY A 37 14.516 -5.563 -8.703 1.00 0.00 C ATOM 162 C GLY A 37 13.071 -5.229 -8.368 1.00 0.00 C ATOM 163 O GLY A 37 12.224 -5.174 -9.258 1.00 0.00 O ATOM 0 H GLY A 37 15.738 -4.433 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.843 -4.931 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.569 -6.595 -9.051 1.00 0.00 H new ATOM 167 N TYR A 38 12.784 -5.004 -7.091 1.00 0.00 N ATOM 168 CA TYR A 38 11.426 -4.678 -6.656 1.00 0.00 C ATOM 169 C TYR A 38 11.442 -3.581 -5.593 1.00 0.00 C ATOM 170 O TYR A 38 12.486 -3.272 -5.027 1.00 0.00 O ATOM 171 CB TYR A 38 10.716 -5.934 -6.122 1.00 0.00 C ATOM 172 CG TYR A 38 11.242 -6.447 -4.796 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.362 -7.272 -4.736 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.611 -6.116 -3.602 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.835 -7.747 -3.528 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.079 -6.588 -2.391 1.00 0.00 C ATOM 177 CZ TYR A 38 12.190 -7.401 -2.357 1.00 0.00 C ATOM 178 OH TYR A 38 12.658 -7.870 -1.151 1.00 0.00 O ATOM 0 H TYR A 38 13.471 -5.041 -6.338 1.00 0.00 H new ATOM 0 HA TYR A 38 10.874 -4.306 -7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.653 -5.716 -6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.805 -6.728 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.870 -7.545 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.739 -5.479 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.705 -8.386 -3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.575 -6.320 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 38 13.628 -7.999 -1.204 1.00 0.00 H new ATOM 188 N GLN A 39 10.285 -2.984 -5.333 1.00 0.00 N ATOM 189 CA GLN A 39 10.188 -1.924 -4.328 1.00 0.00 C ATOM 190 C GLN A 39 9.306 -2.356 -3.158 1.00 0.00 C ATOM 191 O GLN A 39 8.404 -3.182 -3.314 1.00 0.00 O ATOM 192 CB GLN A 39 9.642 -0.628 -4.936 1.00 0.00 C ATOM 193 CG GLN A 39 9.694 -0.585 -6.456 1.00 0.00 C ATOM 194 CD GLN A 39 10.232 0.731 -6.981 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.535 1.741 -6.994 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.479 0.726 -7.424 1.00 0.00 N ATOM 0 H GLN A 39 9.406 -3.211 -5.798 1.00 0.00 H new ATOM 0 HA GLN A 39 11.196 -1.737 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.609 -0.496 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.210 0.214 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.320 -1.400 -6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.693 -0.750 -6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.027 -0.134 -7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.893 1.582 -7.793 1.00 0.00 H new ATOM 205 N GLU A 40 9.565 -1.779 -1.990 1.00 0.00 N ATOM 206 CA GLU A 40 8.806 -2.113 -0.787 1.00 0.00 C ATOM 207 C GLU A 40 8.607 -0.886 0.107 1.00 0.00 C ATOM 208 O GLU A 40 9.507 -0.063 0.265 1.00 0.00 O ATOM 209 CB GLU A 40 9.533 -3.214 -0.010 1.00 0.00 C ATOM 210 CG GLU A 40 8.680 -3.902 1.043 1.00 0.00 C ATOM 211 CD GLU A 40 9.509 -4.485 2.174 1.00 0.00 C ATOM 212 OE1 GLU A 40 9.926 -5.661 2.064 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.743 -3.766 3.170 1.00 0.00 O ATOM 0 H GLU A 40 10.293 -1.079 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 40 7.821 -2.467 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.894 -3.963 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.410 -2.783 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.966 -3.187 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.101 -4.698 0.574 1.00 0.00 H new ATOM 220 N ILE A 41 7.422 -0.770 0.688 1.00 0.00 N ATOM 221 CA ILE A 41 7.108 0.350 1.578 1.00 0.00 C ATOM 222 C ILE A 41 6.268 -0.112 2.771 1.00 0.00 C ATOM 223 O ILE A 41 5.266 -0.812 2.607 1.00 0.00 O ATOM 224 CB ILE A 41 6.373 1.495 0.829 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.817 2.526 1.817 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.255 0.945 -0.038 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.438 3.901 1.688 1.00 0.00 C ATOM 0 H ILE A 41 6.659 -1.435 0.562 1.00 0.00 H new ATOM 0 HA ILE A 41 8.059 0.738 1.943 1.00 0.00 H new ATOM 0 HB ILE A 41 7.099 1.990 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.740 2.610 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.973 2.162 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.756 1.766 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.670 0.256 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.535 0.417 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.991 4.572 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.511 3.833 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.259 4.288 0.685 1.00 0.00 H new ATOM 239 N ARG A 42 6.693 0.270 3.972 1.00 0.00 N ATOM 240 CA ARG A 42 5.976 -0.094 5.189 1.00 0.00 C ATOM 241 C ARG A 42 4.938 0.967 5.551 1.00 0.00 C ATOM 242 O ARG A 42 5.278 2.081 5.953 1.00 0.00 O ATOM 243 CB ARG A 42 6.957 -0.291 6.348 1.00 0.00 C ATOM 244 CG ARG A 42 6.528 -1.373 7.327 1.00 0.00 C ATOM 245 CD ARG A 42 7.720 -1.973 8.058 1.00 0.00 C ATOM 246 NE ARG A 42 7.626 -3.428 8.154 1.00 0.00 N ATOM 247 CZ ARG A 42 8.276 -4.268 7.364 1.00 0.00 C ATOM 248 NH1 ARG A 42 9.067 -3.820 6.417 1.00 0.00 N ATOM 249 NH2 ARG A 42 8.132 -5.560 7.519 1.00 0.00 N ATOM 0 H ARG A 42 7.530 0.831 4.128 1.00 0.00 H new ATOM 0 HA ARG A 42 5.454 -1.033 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.937 -0.545 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.067 0.651 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.830 -0.953 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.996 -2.159 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.639 -1.702 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.784 -1.547 9.059 1.00 0.00 H new ATOM 0 HE ARG A 42 7.021 -3.821 8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.186 -2.816 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.563 -4.476 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.518 -5.921 8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.634 -6.206 6.909 1.00 0.00 H new ATOM 263 N VAL A 43 3.670 0.609 5.403 1.00 0.00 N ATOM 264 CA VAL A 43 2.569 1.517 5.704 1.00 0.00 C ATOM 265 C VAL A 43 1.941 1.177 7.056 1.00 0.00 C ATOM 266 O VAL A 43 1.294 0.139 7.218 1.00 0.00 O ATOM 267 CB VAL A 43 1.490 1.465 4.598 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.365 2.449 4.879 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.111 1.752 3.240 1.00 0.00 C ATOM 0 H VAL A 43 3.376 -0.311 5.074 1.00 0.00 H new ATOM 0 HA VAL A 43 2.976 2.527 5.747 1.00 0.00 H new ATOM 0 HB VAL A 43 1.067 0.461 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.378 2.389 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.103 2.204 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.769 3.461 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.339 1.712 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.563 2.744 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.876 1.006 3.025 1.00 0.00 H new ATOM 279 N GLU A 44 2.156 2.054 8.032 1.00 0.00 N ATOM 280 CA GLU A 44 1.613 1.860 9.373 1.00 0.00 C ATOM 281 C GLU A 44 0.109 2.131 9.392 1.00 0.00 C ATOM 282 O GLU A 44 -0.346 3.213 9.019 1.00 0.00 O ATOM 283 CB GLU A 44 2.329 2.773 10.372 1.00 0.00 C ATOM 284 CG GLU A 44 2.391 2.210 11.782 1.00 0.00 C ATOM 285 CD GLU A 44 3.718 1.540 12.089 1.00 0.00 C ATOM 286 OE1 GLU A 44 3.839 0.322 11.835 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.633 2.232 12.582 1.00 0.00 O ATOM 0 H GLU A 44 2.703 2.907 7.919 1.00 0.00 H new ATOM 0 HA GLU A 44 1.778 0.822 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.344 2.957 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.821 3.737 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.221 3.015 12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.585 1.489 11.916 1.00 0.00 H new ATOM 294 N VAL A 45 -0.657 1.135 9.828 1.00 0.00 N ATOM 295 CA VAL A 45 -2.110 1.250 9.887 1.00 0.00 C ATOM 296 C VAL A 45 -2.596 1.461 11.326 1.00 0.00 C ATOM 297 O VAL A 45 -2.759 0.510 12.098 1.00 0.00 O ATOM 298 CB VAL A 45 -2.781 0.000 9.269 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.282 -0.002 9.502 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.482 -0.076 7.779 1.00 0.00 C ATOM 0 H VAL A 45 -0.294 0.237 10.146 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.397 2.125 9.304 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.366 -0.878 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.719 -0.895 9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.484 0.002 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.722 0.885 9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.960 -0.960 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.867 0.816 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.404 -0.138 7.627 1.00 0.00 H new ATOM 310 N MET A 46 -2.804 2.724 11.681 1.00 0.00 N ATOM 311 CA MET A 46 -3.284 3.091 13.016 1.00 0.00 C ATOM 312 C MET A 46 -4.178 4.328 12.936 1.00 0.00 C ATOM 313 O MET A 46 -3.713 5.460 13.068 1.00 0.00 O ATOM 314 CB MET A 46 -2.111 3.339 13.972 1.00 0.00 C ATOM 315 CG MET A 46 -0.944 4.084 13.339 1.00 0.00 C ATOM 316 SD MET A 46 0.567 3.964 14.316 1.00 0.00 S ATOM 317 CE MET A 46 0.235 5.163 15.605 1.00 0.00 C ATOM 0 H MET A 46 -2.648 3.519 11.061 1.00 0.00 H new ATOM 0 HA MET A 46 -3.870 2.260 13.408 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.469 3.907 14.830 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.755 2.381 14.350 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.760 3.684 12.342 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.211 5.134 13.217 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.081 5.204 16.291 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.083 6.145 15.158 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.661 4.870 16.152 1.00 0.00 H new ATOM 327 N GLY A 47 -5.468 4.102 12.711 1.00 0.00 N ATOM 328 CA GLY A 47 -6.408 5.206 12.579 1.00 0.00 C ATOM 329 C GLY A 47 -6.430 5.750 11.160 1.00 0.00 C ATOM 330 O GLY A 47 -7.175 6.674 10.841 1.00 0.00 O ATOM 0 H GLY A 47 -5.882 3.175 12.617 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.407 4.870 12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.135 6.003 13.271 1.00 0.00 H new ATOM 334 N GLY A 48 -5.596 5.151 10.312 1.00 0.00 N ATOM 335 CA GLY A 48 -5.494 5.552 8.924 1.00 0.00 C ATOM 336 C GLY A 48 -4.194 5.077 8.302 1.00 0.00 C ATOM 337 O GLY A 48 -3.704 3.996 8.633 1.00 0.00 O ATOM 0 H GLY A 48 -4.980 4.381 10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.336 5.146 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.558 6.638 8.852 1.00 0.00 H new ATOM 341 N TYR A 49 -3.627 5.883 7.413 1.00 0.00 N ATOM 342 CA TYR A 49 -2.370 5.533 6.751 1.00 0.00 C ATOM 343 C TYR A 49 -1.288 6.564 7.070 1.00 0.00 C ATOM 344 O TYR A 49 -1.510 7.765 6.919 1.00 0.00 O ATOM 345 CB TYR A 49 -2.576 5.447 5.232 1.00 0.00 C ATOM 346 CG TYR A 49 -3.679 4.494 4.818 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.664 3.160 5.210 1.00 0.00 C ATOM 348 CD2 TYR A 49 -4.741 4.935 4.038 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.674 2.295 4.836 1.00 0.00 C ATOM 350 CE2 TYR A 49 -5.756 4.076 3.662 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.718 2.758 4.063 1.00 0.00 C ATOM 352 OH TYR A 49 -6.730 1.901 3.691 1.00 0.00 O ATOM 0 H TYR A 49 -4.015 6.784 7.132 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.047 4.561 7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.805 6.441 4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.643 5.133 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.849 2.794 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.774 5.967 3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.646 1.261 5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.575 4.436 3.057 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.387 2.386 3.150 1.00 0.00 H new ATOM 362 N THR A 50 -0.120 6.097 7.524 1.00 0.00 N ATOM 363 CA THR A 50 0.984 7.008 7.854 1.00 0.00 C ATOM 364 C THR A 50 1.503 7.723 6.594 1.00 0.00 C ATOM 365 O THR A 50 1.439 8.952 6.522 1.00 0.00 O ATOM 366 CB THR A 50 2.137 6.286 8.594 1.00 0.00 C ATOM 367 OG1 THR A 50 1.710 5.914 9.909 1.00 0.00 O ATOM 368 CG2 THR A 50 3.373 7.172 8.701 1.00 0.00 C ATOM 0 H THR A 50 0.085 5.109 7.670 1.00 0.00 H new ATOM 0 HA THR A 50 0.585 7.758 8.537 1.00 0.00 H new ATOM 0 HB THR A 50 2.399 5.398 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.494 5.756 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.162 6.634 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.718 7.438 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.124 8.079 9.252 1.00 0.00 H new ATOM 376 N PRO A 51 2.031 6.992 5.580 1.00 0.00 N ATOM 377 CA PRO A 51 2.491 7.626 4.345 1.00 0.00 C ATOM 378 C PRO A 51 1.310 8.023 3.459 1.00 0.00 C ATOM 379 O PRO A 51 0.779 7.201 2.710 1.00 0.00 O ATOM 380 CB PRO A 51 3.331 6.538 3.676 1.00 0.00 C ATOM 381 CG PRO A 51 2.744 5.260 4.159 1.00 0.00 C ATOM 382 CD PRO A 51 2.252 5.528 5.557 1.00 0.00 C ATOM 0 HA PRO A 51 3.049 8.545 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.282 6.611 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.382 6.622 3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.927 4.938 3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.488 4.463 4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.333 4.981 5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.984 5.222 6.304 1.00 0.00 H new ATOM 390 N GLU A 52 0.892 9.285 3.569 1.00 0.00 N ATOM 391 CA GLU A 52 -0.243 9.806 2.794 1.00 0.00 C ATOM 392 C GLU A 52 -0.110 9.502 1.300 1.00 0.00 C ATOM 393 O GLU A 52 -1.085 9.133 0.647 1.00 0.00 O ATOM 394 CB GLU A 52 -0.399 11.316 3.011 1.00 0.00 C ATOM 395 CG GLU A 52 0.907 12.095 2.941 1.00 0.00 C ATOM 396 CD GLU A 52 1.249 12.779 4.252 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.823 13.936 4.449 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.935 12.151 5.086 1.00 0.00 O ATOM 0 H GLU A 52 1.323 9.971 4.189 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.136 9.297 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.085 11.710 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.859 11.486 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.716 11.418 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.837 12.844 2.152 1.00 0.00 H new ATOM 405 N LEU A 53 1.098 9.664 0.765 1.00 0.00 N ATOM 406 CA LEU A 53 1.348 9.394 -0.646 1.00 0.00 C ATOM 407 C LEU A 53 2.622 8.568 -0.824 1.00 0.00 C ATOM 408 O LEU A 53 3.710 9.003 -0.446 1.00 0.00 O ATOM 409 CB LEU A 53 1.463 10.699 -1.445 1.00 0.00 C ATOM 410 CG LEU A 53 1.241 11.995 -0.662 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.092 13.114 -1.242 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.229 12.391 -0.684 1.00 0.00 C ATOM 0 H LEU A 53 1.916 9.980 1.286 1.00 0.00 H new ATOM 0 HA LEU A 53 0.500 8.824 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.454 10.738 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.742 10.665 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 53 1.538 11.825 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.924 14.030 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.145 12.838 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.818 13.277 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.365 13.315 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.550 12.543 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.826 11.599 -0.231 1.00 0.00 H new ATOM 424 N ILE A 54 2.483 7.375 -1.396 1.00 0.00 N ATOM 425 CA ILE A 54 3.634 6.499 -1.625 1.00 0.00 C ATOM 426 C ILE A 54 4.159 6.647 -3.055 1.00 0.00 C ATOM 427 O ILE A 54 3.406 6.532 -4.024 1.00 0.00 O ATOM 428 CB ILE A 54 3.307 5.011 -1.352 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.965 4.615 -1.976 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.306 4.727 0.142 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.564 3.182 -1.699 1.00 0.00 C ATOM 0 H ILE A 54 1.591 6.992 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 54 4.403 6.812 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 54 4.085 4.407 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.188 5.280 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.017 4.766 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.074 3.676 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.289 4.953 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.555 5.348 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.604 2.975 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.320 2.508 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.479 3.030 -0.623 1.00 0.00 H new ATOM 443 N VAL A 55 5.452 6.919 -3.179 1.00 0.00 N ATOM 444 CA VAL A 55 6.076 7.089 -4.490 1.00 0.00 C ATOM 445 C VAL A 55 6.770 5.805 -4.950 1.00 0.00 C ATOM 446 O VAL A 55 7.611 5.248 -4.239 1.00 0.00 O ATOM 447 CB VAL A 55 7.092 8.252 -4.478 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.775 8.401 -5.831 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.411 9.552 -4.078 1.00 0.00 C ATOM 0 H VAL A 55 6.090 7.027 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 55 5.278 7.325 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 55 7.859 8.019 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.484 9.228 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.304 7.480 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.026 8.602 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.143 10.360 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.619 9.782 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.983 9.447 -3.081 1.00 0.00 H new ATOM 459 N LEU A 56 6.409 5.348 -6.148 1.00 0.00 N ATOM 460 CA LEU A 56 6.979 4.128 -6.720 1.00 0.00 C ATOM 461 C LEU A 56 7.345 4.323 -8.197 1.00 0.00 C ATOM 462 O LEU A 56 6.917 5.288 -8.832 1.00 0.00 O ATOM 463 CB LEU A 56 5.985 2.968 -6.580 1.00 0.00 C ATOM 464 CG LEU A 56 5.612 2.601 -5.141 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.134 2.263 -5.042 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.458 1.439 -4.651 1.00 0.00 C ATOM 0 H LEU A 56 5.721 5.807 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 56 7.891 3.894 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.074 3.224 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.407 2.088 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 56 5.810 3.463 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.888 2.005 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.542 3.125 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.910 1.417 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.179 1.192 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.292 0.573 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.511 1.717 -4.683 1.00 0.00 H new ATOM 478 N LYS A 57 8.143 3.404 -8.738 1.00 0.00 N ATOM 479 CA LYS A 57 8.553 3.473 -10.142 1.00 0.00 C ATOM 480 C LYS A 57 7.551 2.746 -11.044 1.00 0.00 C ATOM 481 O LYS A 57 6.596 2.138 -10.562 1.00 0.00 O ATOM 482 CB LYS A 57 9.952 2.876 -10.320 1.00 0.00 C ATOM 483 CG LYS A 57 11.031 3.914 -10.595 1.00 0.00 C ATOM 484 CD LYS A 57 11.425 3.933 -12.064 1.00 0.00 C ATOM 485 CE LYS A 57 12.106 5.239 -12.443 1.00 0.00 C ATOM 486 NZ LYS A 57 12.409 5.308 -13.900 1.00 0.00 N ATOM 0 H LYS A 57 8.518 2.604 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 57 8.577 4.523 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.217 2.319 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.930 2.161 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.672 4.900 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.908 3.699 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.095 3.099 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.538 3.792 -12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.465 6.076 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.030 5.344 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.195 5.970 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.676 4.364 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.568 5.638 -14.414 1.00 0.00 H new ATOM 500 N LYS A 58 7.776 2.802 -12.356 1.00 0.00 N ATOM 501 CA LYS A 58 6.876 2.155 -13.314 1.00 0.00 C ATOM 502 C LYS A 58 7.498 0.896 -13.922 1.00 0.00 C ATOM 503 O LYS A 58 8.716 0.809 -14.085 1.00 0.00 O ATOM 504 CB LYS A 58 6.491 3.135 -14.425 1.00 0.00 C ATOM 505 CG LYS A 58 5.325 2.653 -15.277 1.00 0.00 C ATOM 506 CD LYS A 58 5.056 3.581 -16.449 1.00 0.00 C ATOM 507 CE LYS A 58 5.541 2.984 -17.762 1.00 0.00 C ATOM 508 NZ LYS A 58 4.411 2.634 -18.669 1.00 0.00 N ATOM 0 H LYS A 58 8.568 3.285 -12.780 1.00 0.00 H new ATOM 0 HA LYS A 58 5.982 1.854 -12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.233 4.096 -13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.356 3.303 -15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.538 1.651 -15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.430 2.580 -14.659 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.987 3.784 -16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.552 4.536 -16.278 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.200 3.694 -18.261 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.132 2.091 -17.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.699 1.859 -19.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.592 2.334 -18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.153 3.465 -19.238 1.00 0.00 H new ATOM 522 N SER A 59 6.637 -0.079 -14.243 1.00 0.00 N ATOM 523 CA SER A 59 7.047 -1.358 -14.842 1.00 0.00 C ATOM 524 C SER A 59 7.921 -2.176 -13.885 1.00 0.00 C ATOM 525 O SER A 59 8.653 -3.075 -14.304 1.00 0.00 O ATOM 526 CB SER A 59 7.782 -1.130 -16.170 1.00 0.00 C ATOM 527 OG SER A 59 8.144 -2.359 -16.776 1.00 0.00 O ATOM 0 H SER A 59 5.631 -0.003 -14.094 1.00 0.00 H new ATOM 0 HA SER A 59 6.139 -1.929 -15.038 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.145 -0.562 -16.848 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.676 -0.531 -15.995 1.00 0.00 H new ATOM 0 HG SER A 59 8.482 -2.974 -16.092 1.00 0.00 H new ATOM 533 N VAL A 60 7.825 -1.867 -12.598 1.00 0.00 N ATOM 534 CA VAL A 60 8.604 -2.563 -11.581 1.00 0.00 C ATOM 535 C VAL A 60 7.689 -3.167 -10.504 1.00 0.00 C ATOM 536 O VAL A 60 6.724 -2.533 -10.074 1.00 0.00 O ATOM 537 CB VAL A 60 9.638 -1.601 -10.932 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.956 -0.591 -10.026 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.703 -2.368 -10.164 1.00 0.00 C ATOM 0 H VAL A 60 7.214 -1.137 -12.233 1.00 0.00 H new ATOM 0 HA VAL A 60 9.141 -3.377 -12.068 1.00 0.00 H new ATOM 0 HB VAL A 60 10.128 -1.059 -11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.705 0.068 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.249 0.000 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.424 -1.115 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.410 -1.666 -9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.232 -2.953 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.232 -3.036 -10.844 1.00 0.00 H new ATOM 549 N PRO A 61 7.949 -4.421 -10.089 1.00 0.00 N ATOM 550 CA PRO A 61 7.155 -5.077 -9.045 1.00 0.00 C ATOM 551 C PRO A 61 7.279 -4.354 -7.702 1.00 0.00 C ATOM 552 O PRO A 61 8.375 -4.197 -7.168 1.00 0.00 O ATOM 553 CB PRO A 61 7.748 -6.489 -8.960 1.00 0.00 C ATOM 554 CG PRO A 61 9.101 -6.385 -9.579 1.00 0.00 C ATOM 555 CD PRO A 61 9.007 -5.299 -10.615 1.00 0.00 C ATOM 0 HA PRO A 61 6.090 -5.076 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.813 -6.827 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.126 -7.209 -9.492 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.854 -6.143 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.395 -7.331 -10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.952 -4.767 -10.728 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.748 -5.699 -11.595 1.00 0.00 H new ATOM 563 N ALA A 62 6.156 -3.898 -7.169 1.00 0.00 N ATOM 564 CA ALA A 62 6.160 -3.183 -5.898 1.00 0.00 C ATOM 565 C ALA A 62 5.237 -3.843 -4.880 1.00 0.00 C ATOM 566 O ALA A 62 4.131 -4.267 -5.213 1.00 0.00 O ATOM 567 CB ALA A 62 5.763 -1.735 -6.119 1.00 0.00 C ATOM 0 H ALA A 62 5.234 -4.008 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 62 7.171 -3.219 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.768 -1.207 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.472 -1.263 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.763 -1.694 -6.551 1.00 0.00 H new ATOM 573 N ARG A 63 5.695 -3.929 -3.636 1.00 0.00 N ATOM 574 CA ARG A 63 4.897 -4.537 -2.584 1.00 0.00 C ATOM 575 C ARG A 63 4.680 -3.573 -1.415 1.00 0.00 C ATOM 576 O ARG A 63 5.619 -2.969 -0.887 1.00 0.00 O ATOM 577 CB ARG A 63 5.536 -5.852 -2.118 1.00 0.00 C ATOM 578 CG ARG A 63 6.783 -5.691 -1.267 1.00 0.00 C ATOM 579 CD ARG A 63 7.698 -6.897 -1.399 1.00 0.00 C ATOM 580 NE ARG A 63 8.242 -7.317 -0.110 1.00 0.00 N ATOM 581 CZ ARG A 63 8.006 -8.493 0.452 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.242 -9.381 -0.140 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.538 -8.778 1.614 1.00 0.00 N ATOM 0 H ARG A 63 6.608 -3.588 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 63 3.913 -4.765 -2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.797 -6.417 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.787 -6.448 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.318 -4.790 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.499 -5.559 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.145 -7.724 -1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.517 -6.658 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 63 8.843 -6.662 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.821 -9.170 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.069 -10.283 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.132 -8.095 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.358 -9.683 2.049 1.00 0.00 H new ATOM 597 N ILE A 64 3.420 -3.417 -1.037 1.00 0.00 N ATOM 598 CA ILE A 64 3.048 -2.533 0.064 1.00 0.00 C ATOM 599 C ILE A 64 2.817 -3.330 1.349 1.00 0.00 C ATOM 600 O ILE A 64 1.910 -4.158 1.418 1.00 0.00 O ATOM 601 CB ILE A 64 1.771 -1.724 -0.265 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.740 -1.326 -1.749 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.680 -0.491 0.622 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.758 -0.267 -2.125 1.00 0.00 C ATOM 0 H ILE A 64 2.632 -3.893 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 64 3.877 -1.840 0.209 1.00 0.00 H new ATOM 0 HB ILE A 64 0.906 -2.358 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.914 -2.214 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.743 -0.961 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.776 0.067 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.646 -0.797 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.552 0.141 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.672 -0.041 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.573 0.638 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.762 -0.635 -1.912 1.00 0.00 H new ATOM 616 N VAL A 65 3.644 -3.078 2.361 1.00 0.00 N ATOM 617 CA VAL A 65 3.534 -3.781 3.638 1.00 0.00 C ATOM 618 C VAL A 65 2.635 -3.022 4.612 1.00 0.00 C ATOM 619 O VAL A 65 2.980 -1.937 5.071 1.00 0.00 O ATOM 620 CB VAL A 65 4.918 -3.987 4.295 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.841 -5.046 5.387 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.962 -4.365 3.255 1.00 0.00 C ATOM 0 H VAL A 65 4.398 -2.392 2.322 1.00 0.00 H new ATOM 0 HA VAL A 65 3.094 -4.754 3.420 1.00 0.00 H new ATOM 0 HB VAL A 65 5.220 -3.044 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.825 -5.177 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.131 -4.730 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.512 -5.991 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.927 -4.504 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.667 -5.292 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.041 -3.570 2.514 1.00 0.00 H new ATOM 632 N PHE A 66 1.481 -3.600 4.927 1.00 0.00 N ATOM 633 CA PHE A 66 0.535 -2.967 5.842 1.00 0.00 C ATOM 634 C PHE A 66 0.665 -3.526 7.258 1.00 0.00 C ATOM 635 O PHE A 66 0.435 -4.714 7.498 1.00 0.00 O ATOM 636 CB PHE A 66 -0.895 -3.152 5.326 1.00 0.00 C ATOM 637 CG PHE A 66 -1.184 -2.352 4.087 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.304 -0.975 4.151 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.325 -2.979 2.859 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.560 -0.234 3.012 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.581 -2.244 1.717 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.698 -0.870 1.795 1.00 0.00 C ATOM 0 H PHE A 66 1.178 -4.504 4.564 1.00 0.00 H new ATOM 0 HA PHE A 66 0.767 -1.903 5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.065 -4.208 5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.597 -2.865 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.196 -0.473 5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.234 -4.053 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.652 0.840 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.689 -2.743 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.897 -0.293 0.904 1.00 0.00 H new ATOM 652 N ASP A 67 1.044 -2.659 8.192 1.00 0.00 N ATOM 653 CA ASP A 67 1.201 -3.042 9.593 1.00 0.00 C ATOM 654 C ASP A 67 -0.018 -2.601 10.406 1.00 0.00 C ATOM 655 O ASP A 67 -0.156 -1.423 10.737 1.00 0.00 O ATOM 656 CB ASP A 67 2.476 -2.412 10.167 1.00 0.00 C ATOM 657 CG ASP A 67 3.115 -3.261 11.250 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.417 -3.605 12.226 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.313 -3.589 11.117 1.00 0.00 O ATOM 0 H ASP A 67 1.250 -1.678 8.002 1.00 0.00 H new ATOM 0 HA ASP A 67 1.283 -4.127 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.194 -2.258 9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.239 -1.429 10.575 1.00 0.00 H new ATOM 664 N ARG A 68 -0.892 -3.550 10.728 1.00 0.00 N ATOM 665 CA ARG A 68 -2.105 -3.244 11.484 1.00 0.00 C ATOM 666 C ARG A 68 -1.823 -3.054 12.974 1.00 0.00 C ATOM 667 O ARG A 68 -1.641 -4.020 13.719 1.00 0.00 O ATOM 668 CB ARG A 68 -3.151 -4.342 11.282 1.00 0.00 C ATOM 669 CG ARG A 68 -4.460 -3.830 10.699 1.00 0.00 C ATOM 670 CD ARG A 68 -5.634 -4.108 11.622 1.00 0.00 C ATOM 671 NE ARG A 68 -6.368 -5.301 11.219 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.576 -5.611 11.654 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.201 -4.834 12.504 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.161 -6.700 11.230 1.00 0.00 N ATOM 0 H ARG A 68 -0.785 -4.533 10.479 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.494 -2.300 11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.742 -5.106 10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.352 -4.823 12.239 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.384 -2.757 10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.637 -4.302 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.273 -4.231 12.643 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.307 -3.250 11.623 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.920 -5.937 10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.755 -3.979 12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.134 -5.084 12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.685 -7.309 10.564 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.094 -6.941 11.565 1.00 0.00 H new ATOM 688 N LYS A 69 -1.800 -1.792 13.396 1.00 0.00 N ATOM 689 CA LYS A 69 -1.552 -1.441 14.792 1.00 0.00 C ATOM 690 C LYS A 69 -2.874 -1.194 15.529 1.00 0.00 C ATOM 691 O LYS A 69 -3.031 -1.563 16.695 1.00 0.00 O ATOM 692 CB LYS A 69 -0.650 -0.198 14.859 1.00 0.00 C ATOM 693 CG LYS A 69 -0.752 0.586 16.160 1.00 0.00 C ATOM 694 CD LYS A 69 0.024 -0.089 17.278 1.00 0.00 C ATOM 695 CE LYS A 69 -0.632 0.139 18.631 1.00 0.00 C ATOM 696 NZ LYS A 69 -1.640 -0.914 18.942 1.00 0.00 N ATOM 0 H LYS A 69 -1.952 -0.989 12.785 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.045 -2.272 15.283 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.385 -0.508 14.716 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.902 0.463 14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.370 1.596 16.009 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.799 0.681 16.448 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.091 -1.159 17.081 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.044 0.296 17.298 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.132 0.151 19.408 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.113 1.117 18.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.312 -0.553 19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.154 -1.170 18.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.158 -1.755 19.320 1.00 0.00 H new ATOM 710 N ASP A 70 -3.819 -0.567 14.837 1.00 0.00 N ATOM 711 CA ASP A 70 -5.127 -0.275 15.416 1.00 0.00 C ATOM 712 C ASP A 70 -6.188 -1.255 14.897 1.00 0.00 C ATOM 713 O ASP A 70 -6.314 -1.459 13.689 1.00 0.00 O ATOM 714 CB ASP A 70 -5.529 1.168 15.100 1.00 0.00 C ATOM 715 CG ASP A 70 -6.480 1.749 16.127 1.00 0.00 C ATOM 716 OD1 ASP A 70 -6.000 2.340 17.115 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.708 1.610 15.941 1.00 0.00 O ATOM 0 H ASP A 70 -3.704 -0.251 13.874 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.060 -0.395 16.497 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.633 1.787 15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.997 1.203 14.116 1.00 0.00 H new ATOM 722 N PRO A 71 -6.979 -1.854 15.807 1.00 0.00 N ATOM 723 CA PRO A 71 -8.025 -2.822 15.448 1.00 0.00 C ATOM 724 C PRO A 71 -9.325 -2.160 14.978 1.00 0.00 C ATOM 725 O PRO A 71 -10.421 -2.617 15.306 1.00 0.00 O ATOM 726 CB PRO A 71 -8.250 -3.562 16.762 1.00 0.00 C ATOM 727 CG PRO A 71 -8.010 -2.527 17.805 1.00 0.00 C ATOM 728 CD PRO A 71 -6.918 -1.637 17.265 1.00 0.00 C ATOM 0 HA PRO A 71 -7.728 -3.455 14.612 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.261 -3.965 16.825 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.564 -4.403 16.869 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.917 -1.955 18.003 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.710 -2.985 18.747 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.090 -0.592 17.522 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.943 -1.909 17.670 1.00 0.00 H new ATOM 736 N SER A 72 -9.197 -1.085 14.208 1.00 0.00 N ATOM 737 CA SER A 72 -10.361 -0.365 13.690 1.00 0.00 C ATOM 738 C SER A 72 -11.089 -1.183 12.621 1.00 0.00 C ATOM 739 O SER A 72 -10.455 -1.748 11.728 1.00 0.00 O ATOM 740 CB SER A 72 -9.938 0.981 13.098 1.00 0.00 C ATOM 741 OG SER A 72 -11.034 1.634 12.476 1.00 0.00 O ATOM 0 H SER A 72 -8.299 -0.691 13.927 1.00 0.00 H new ATOM 0 HA SER A 72 -11.041 -0.197 14.525 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.532 1.616 13.885 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.142 0.827 12.370 1.00 0.00 H new ATOM 0 HG SER A 72 -10.737 2.492 12.108 1.00 0.00 H new ATOM 747 N PRO A 73 -12.434 -1.245 12.687 1.00 0.00 N ATOM 748 CA PRO A 73 -13.244 -1.996 11.713 1.00 0.00 C ATOM 749 C PRO A 73 -13.137 -1.425 10.298 1.00 0.00 C ATOM 750 O PRO A 73 -13.296 -2.144 9.313 1.00 0.00 O ATOM 751 CB PRO A 73 -14.673 -1.848 12.242 1.00 0.00 C ATOM 752 CG PRO A 73 -14.641 -0.621 13.086 1.00 0.00 C ATOM 753 CD PRO A 73 -13.273 -0.593 13.709 1.00 0.00 C ATOM 0 HA PRO A 73 -12.913 -3.031 11.627 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.389 -1.748 11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.972 -2.720 12.823 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.817 0.272 12.486 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.419 -0.650 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.943 0.425 13.914 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.249 -1.132 14.656 1.00 0.00 H new ATOM 761 N CYS A 74 -12.850 -0.127 10.205 1.00 0.00 N ATOM 762 CA CYS A 74 -12.712 0.539 8.911 1.00 0.00 C ATOM 763 C CYS A 74 -11.334 0.277 8.300 1.00 0.00 C ATOM 764 O CYS A 74 -11.095 0.576 7.132 1.00 0.00 O ATOM 765 CB CYS A 74 -12.935 2.045 9.060 1.00 0.00 C ATOM 766 SG CYS A 74 -14.632 2.576 8.732 1.00 0.00 S ATOM 0 H CYS A 74 -12.709 0.484 11.010 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.469 0.129 8.242 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.661 2.344 10.072 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.264 2.570 8.380 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.721 3.864 8.886 1.00 0.00 H new ATOM 772 N LEU A 75 -10.433 -0.290 9.101 1.00 0.00 N ATOM 773 CA LEU A 75 -9.079 -0.596 8.648 1.00 0.00 C ATOM 774 C LEU A 75 -8.836 -2.108 8.609 1.00 0.00 C ATOM 775 O LEU A 75 -7.697 -2.560 8.496 1.00 0.00 O ATOM 776 CB LEU A 75 -8.052 0.072 9.564 1.00 0.00 C ATOM 777 CG LEU A 75 -7.773 1.547 9.269 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.949 2.160 10.388 1.00 0.00 C ATOM 779 CD2 LEU A 75 -7.059 1.703 7.934 1.00 0.00 C ATOM 0 H LEU A 75 -10.618 -0.547 10.070 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.968 -0.206 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.397 -0.016 10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.114 -0.479 9.494 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.726 2.073 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.757 3.210 10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.496 2.082 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.001 1.629 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.870 2.760 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.112 1.165 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.683 1.297 7.138 1.00 0.00 H new ATOM 791 N ASP A 76 -9.917 -2.882 8.701 1.00 0.00 N ATOM 792 CA ASP A 76 -9.832 -4.343 8.681 1.00 0.00 C ATOM 793 C ASP A 76 -9.441 -4.866 7.294 1.00 0.00 C ATOM 794 O ASP A 76 -8.742 -5.872 7.173 1.00 0.00 O ATOM 795 CB ASP A 76 -11.175 -4.945 9.106 1.00 0.00 C ATOM 796 CG ASP A 76 -11.027 -6.295 9.784 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.954 -7.319 9.069 1.00 0.00 O ATOM 798 OD2 ASP A 76 -10.988 -6.333 11.034 1.00 0.00 O ATOM 0 H ASP A 76 -10.866 -2.520 8.791 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.055 -4.645 9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.678 -4.256 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.814 -5.052 8.229 1.00 0.00 H new ATOM 803 N GLN A 77 -9.897 -4.180 6.253 1.00 0.00 N ATOM 804 CA GLN A 77 -9.601 -4.586 4.882 1.00 0.00 C ATOM 805 C GLN A 77 -9.007 -3.435 4.073 1.00 0.00 C ATOM 806 O GLN A 77 -9.119 -2.270 4.453 1.00 0.00 O ATOM 807 CB GLN A 77 -10.873 -5.088 4.192 1.00 0.00 C ATOM 808 CG GLN A 77 -11.288 -6.488 4.608 1.00 0.00 C ATOM 809 CD GLN A 77 -12.700 -6.540 5.160 1.00 0.00 C ATOM 810 OE1 GLN A 77 -12.918 -6.372 6.356 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.670 -6.775 4.291 1.00 0.00 N ATOM 0 H GLN A 77 -10.472 -3.341 6.330 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.866 -5.389 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.689 -4.398 4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.720 -5.071 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.213 -7.155 3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.594 -6.860 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.449 -6.909 3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.638 -6.822 4.608 1.00 0.00 H new ATOM 820 N ILE A 78 -8.367 -3.777 2.962 1.00 0.00 N ATOM 821 CA ILE A 78 -7.778 -2.781 2.074 1.00 0.00 C ATOM 822 C ILE A 78 -8.033 -3.154 0.614 1.00 0.00 C ATOM 823 O ILE A 78 -7.769 -4.282 0.190 1.00 0.00 O ATOM 824 CB ILE A 78 -6.256 -2.600 2.309 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.681 -1.601 1.300 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.522 -3.933 2.223 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.108 -0.358 1.938 1.00 0.00 C ATOM 0 H ILE A 78 -8.242 -4.741 2.653 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.260 -1.831 2.303 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.111 -2.206 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.901 -2.093 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.465 -1.312 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.457 -3.774 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.912 -4.613 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.671 -4.368 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.720 0.303 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.889 0.158 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.301 -0.636 2.616 1.00 0.00 H new ATOM 839 N VAL A 79 -8.570 -2.215 -0.148 1.00 0.00 N ATOM 840 CA VAL A 79 -8.855 -2.459 -1.553 1.00 0.00 C ATOM 841 C VAL A 79 -8.333 -1.329 -2.435 1.00 0.00 C ATOM 842 O VAL A 79 -8.557 -0.149 -2.162 1.00 0.00 O ATOM 843 CB VAL A 79 -10.373 -2.671 -1.799 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.198 -1.656 -1.026 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.707 -2.616 -3.286 1.00 0.00 C ATOM 0 H VAL A 79 -8.816 -1.281 0.180 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.333 -3.376 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.628 -3.666 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.257 -1.827 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.999 -1.762 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.930 -0.649 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.777 -2.768 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.424 -1.643 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.159 -3.398 -3.811 1.00 0.00 H new ATOM 855 N PHE A 80 -7.604 -1.709 -3.476 1.00 0.00 N ATOM 856 CA PHE A 80 -7.057 -0.759 -4.432 1.00 0.00 C ATOM 857 C PHE A 80 -8.038 -0.592 -5.597 1.00 0.00 C ATOM 858 O PHE A 80 -8.093 -1.439 -6.489 1.00 0.00 O ATOM 859 CB PHE A 80 -5.703 -1.261 -4.952 1.00 0.00 C ATOM 860 CG PHE A 80 -4.533 -0.902 -4.078 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.332 -1.542 -2.865 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.629 0.071 -4.476 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.252 -1.218 -2.066 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.547 0.400 -3.679 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.359 -0.246 -2.471 1.00 0.00 C ATOM 0 H PHE A 80 -7.376 -2.682 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.909 0.204 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.746 -2.345 -5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.536 -0.853 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.027 -2.302 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.771 0.578 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.106 -1.726 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.850 1.160 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.516 0.009 -1.846 1.00 0.00 H new ATOM 875 N PRO A 81 -8.816 0.509 -5.617 1.00 0.00 N ATOM 876 CA PRO A 81 -9.816 0.754 -6.670 1.00 0.00 C ATOM 877 C PRO A 81 -9.205 1.022 -8.045 1.00 0.00 C ATOM 878 O PRO A 81 -9.900 0.998 -9.059 1.00 0.00 O ATOM 879 CB PRO A 81 -10.567 1.989 -6.166 1.00 0.00 C ATOM 880 CG PRO A 81 -9.608 2.680 -5.262 1.00 0.00 C ATOM 881 CD PRO A 81 -8.774 1.603 -4.630 1.00 0.00 C ATOM 0 HA PRO A 81 -10.447 -0.121 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.865 2.634 -6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.477 1.709 -5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.984 3.379 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.136 3.258 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.754 1.940 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.182 1.292 -3.669 1.00 0.00 H new ATOM 889 N ASP A 82 -7.901 1.273 -8.077 1.00 0.00 N ATOM 890 CA ASP A 82 -7.206 1.544 -9.331 1.00 0.00 C ATOM 891 C ASP A 82 -6.452 0.313 -9.845 1.00 0.00 C ATOM 892 O ASP A 82 -5.992 0.293 -10.986 1.00 0.00 O ATOM 893 CB ASP A 82 -6.229 2.703 -9.139 1.00 0.00 C ATOM 894 CG ASP A 82 -6.911 4.056 -9.183 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.780 4.258 -10.056 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.571 4.915 -8.340 1.00 0.00 O ATOM 0 H ASP A 82 -7.304 1.295 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.957 1.808 -10.076 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.719 2.589 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.464 2.661 -9.915 1.00 0.00 H new ATOM 901 N PHE A 83 -6.326 -0.713 -9.003 1.00 0.00 N ATOM 902 CA PHE A 83 -5.604 -1.928 -9.388 1.00 0.00 C ATOM 903 C PHE A 83 -6.492 -3.175 -9.317 1.00 0.00 C ATOM 904 O PHE A 83 -6.167 -4.209 -9.901 1.00 0.00 O ATOM 905 CB PHE A 83 -4.367 -2.103 -8.497 1.00 0.00 C ATOM 906 CG PHE A 83 -3.245 -1.160 -8.849 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.296 0.174 -8.470 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.148 -1.605 -9.568 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.276 1.042 -8.800 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.122 -0.739 -9.900 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.189 0.587 -9.516 1.00 0.00 C ATOM 0 H PHE A 83 -6.710 -0.729 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.293 -1.813 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.651 -1.947 -7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.010 -3.130 -8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.145 0.537 -7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.093 -2.640 -9.873 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.329 2.077 -8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.270 -1.098 -10.458 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.391 1.266 -9.777 1.00 0.00 H new ATOM 921 N GLY A 84 -7.611 -3.076 -8.600 1.00 0.00 N ATOM 922 CA GLY A 84 -8.521 -4.206 -8.469 1.00 0.00 C ATOM 923 C GLY A 84 -8.039 -5.227 -7.453 1.00 0.00 C ATOM 924 O GLY A 84 -8.337 -6.417 -7.560 1.00 0.00 O ATOM 0 H GLY A 84 -7.904 -2.233 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.506 -3.843 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.636 -4.690 -9.439 1.00 0.00 H new ATOM 928 N VAL A 85 -7.301 -4.755 -6.453 1.00 0.00 N ATOM 929 CA VAL A 85 -6.757 -5.628 -5.418 1.00 0.00 C ATOM 930 C VAL A 85 -7.461 -5.421 -4.073 1.00 0.00 C ATOM 931 O VAL A 85 -7.355 -4.361 -3.465 1.00 0.00 O ATOM 932 CB VAL A 85 -5.237 -5.390 -5.249 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.703 -6.088 -4.010 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.486 -5.850 -6.490 1.00 0.00 C ATOM 0 H VAL A 85 -7.065 -3.769 -6.337 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.930 -6.655 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.077 -4.319 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.633 -5.901 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.214 -5.704 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.878 -7.161 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.419 -5.676 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.663 -6.914 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.838 -5.290 -7.357 1.00 0.00 H new ATOM 944 N HIS A 86 -8.184 -6.442 -3.621 1.00 0.00 N ATOM 945 CA HIS A 86 -8.898 -6.382 -2.341 1.00 0.00 C ATOM 946 C HIS A 86 -8.362 -7.448 -1.380 1.00 0.00 C ATOM 947 O HIS A 86 -8.464 -8.646 -1.652 1.00 0.00 O ATOM 948 CB HIS A 86 -10.414 -6.560 -2.546 1.00 0.00 C ATOM 949 CG HIS A 86 -10.791 -7.560 -3.606 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.355 -8.868 -3.599 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.573 -7.434 -4.705 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.850 -9.503 -4.645 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.592 -8.655 -5.331 1.00 0.00 N ATOM 0 H HIS A 86 -8.293 -7.324 -4.121 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.727 -5.398 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.861 -6.867 -1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.848 -5.594 -2.806 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.744 -9.281 -2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.086 -6.540 -5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.677 -10.539 -4.896 1.00 0.00 H new ATOM 961 N ALA A 87 -7.796 -7.012 -0.257 1.00 0.00 N ATOM 962 CA ALA A 87 -7.232 -7.943 0.722 1.00 0.00 C ATOM 963 C ALA A 87 -7.657 -7.612 2.156 1.00 0.00 C ATOM 964 O ALA A 87 -8.199 -6.543 2.432 1.00 0.00 O ATOM 965 CB ALA A 87 -5.714 -7.946 0.615 1.00 0.00 C ATOM 0 H ALA A 87 -7.715 -6.028 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.622 -8.934 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.299 -8.640 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.421 -8.256 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.333 -6.943 0.810 1.00 0.00 H new ATOM 971 N ASN A 88 -7.399 -8.553 3.062 1.00 0.00 N ATOM 972 CA ASN A 88 -7.732 -8.389 4.476 1.00 0.00 C ATOM 973 C ASN A 88 -6.456 -8.231 5.306 1.00 0.00 C ATOM 974 O ASN A 88 -5.458 -8.908 5.057 1.00 0.00 O ATOM 975 CB ASN A 88 -8.542 -9.599 4.968 1.00 0.00 C ATOM 976 CG ASN A 88 -8.899 -9.515 6.442 1.00 0.00 C ATOM 977 OD1 ASN A 88 -8.186 -10.032 7.296 1.00 0.00 O ATOM 978 ND2 ASN A 88 -10.012 -8.870 6.747 1.00 0.00 N ATOM 0 H ASN A 88 -6.956 -9.445 2.839 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.336 -7.489 4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.458 -9.679 4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.969 -10.509 4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.304 -8.789 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.579 -8.453 6.008 1.00 0.00 H new ATOM 985 N LEU A 89 -6.486 -7.336 6.289 1.00 0.00 N ATOM 986 CA LEU A 89 -5.321 -7.104 7.137 1.00 0.00 C ATOM 987 C LEU A 89 -5.480 -7.775 8.504 1.00 0.00 C ATOM 988 O LEU A 89 -6.478 -7.572 9.197 1.00 0.00 O ATOM 989 CB LEU A 89 -5.076 -5.602 7.320 1.00 0.00 C ATOM 990 CG LEU A 89 -4.995 -4.786 6.027 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.902 -3.301 6.336 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.804 -5.231 5.191 1.00 0.00 C ATOM 0 H LEU A 89 -7.298 -6.763 6.517 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.460 -7.548 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.876 -5.194 7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.146 -5.468 7.873 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.905 -4.961 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.845 -2.738 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.785 -2.990 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.009 -3.108 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.761 -4.641 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.886 -5.086 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.911 -6.286 4.938 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.494 -8.596 8.902 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.513 -9.291 10.188 1.00 0.00 C ATOM 1006 C PRO A 90 -4.055 -8.395 11.343 1.00 0.00 C ATOM 1007 O PRO A 90 -2.997 -7.768 11.280 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.537 -10.445 9.970 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.570 -9.951 8.943 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.291 -8.919 8.115 1.00 0.00 C ATOM 0 HA PRO A 90 -5.515 -9.612 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.027 -10.710 10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.055 -11.339 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.691 -9.517 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.221 -10.772 8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.673 -8.036 7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.552 -9.310 7.132 1.00 0.00 H new ATOM 1018 N MET A 91 -4.860 -8.341 12.401 1.00 0.00 N ATOM 1019 CA MET A 91 -4.548 -7.516 13.568 1.00 0.00 C ATOM 1020 C MET A 91 -3.300 -8.016 14.302 1.00 0.00 C ATOM 1021 O MET A 91 -3.219 -9.180 14.697 1.00 0.00 O ATOM 1022 CB MET A 91 -5.745 -7.487 14.524 1.00 0.00 C ATOM 1023 CG MET A 91 -5.493 -6.690 15.794 1.00 0.00 C ATOM 1024 SD MET A 91 -4.946 -5.005 15.467 1.00 0.00 S ATOM 1025 CE MET A 91 -3.936 -4.698 16.914 1.00 0.00 C ATOM 0 H MET A 91 -5.735 -8.859 12.475 1.00 0.00 H new ATOM 0 HA MET A 91 -4.340 -6.506 13.214 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.604 -7.063 14.004 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.008 -8.510 14.794 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.408 -6.661 16.386 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.740 -7.201 16.394 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.215 -3.742 17.356 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.092 -5.494 17.642 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.885 -4.672 16.625 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.330 -7.121 14.477 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.096 -7.471 15.162 1.00 0.00 C ATOM 1037 C GLY A 92 -0.083 -8.151 14.254 1.00 0.00 C ATOM 1038 O GLY A 92 0.936 -8.657 14.723 1.00 0.00 O ATOM 0 H GLY A 92 -2.377 -6.154 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.651 -6.568 15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.326 -8.131 15.998 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.359 -8.157 12.952 1.00 0.00 N ATOM 1043 CA GLU A 93 0.533 -8.788 11.982 1.00 0.00 C ATOM 1044 C GLU A 93 0.738 -7.891 10.757 1.00 0.00 C ATOM 1045 O GLU A 93 0.147 -6.814 10.654 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.028 -10.147 11.549 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.115 -11.162 12.678 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.638 -12.508 12.217 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.874 -12.685 12.178 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.189 -13.388 11.895 1.00 0.00 O ATOM 0 H GLU A 93 -1.192 -7.733 12.544 1.00 0.00 H new ATOM 0 HA GLU A 93 1.500 -8.938 12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.022 -10.001 11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.600 -10.553 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.873 -11.293 13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.766 -10.773 13.461 1.00 0.00 H new ATOM 1057 N GLU A 94 1.587 -8.337 9.835 1.00 0.00 N ATOM 1058 CA GLU A 94 1.874 -7.569 8.625 1.00 0.00 C ATOM 1059 C GLU A 94 1.353 -8.270 7.371 1.00 0.00 C ATOM 1060 O GLU A 94 1.538 -9.476 7.195 1.00 0.00 O ATOM 1061 CB GLU A 94 3.381 -7.339 8.485 1.00 0.00 C ATOM 1062 CG GLU A 94 3.957 -6.382 9.515 1.00 0.00 C ATOM 1063 CD GLU A 94 5.322 -6.814 10.016 1.00 0.00 C ATOM 1064 OE1 GLU A 94 6.329 -6.505 9.340 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.386 -7.467 11.079 1.00 0.00 O ATOM 0 H GLU A 94 2.087 -9.223 9.901 1.00 0.00 H new ATOM 0 HA GLU A 94 1.361 -6.612 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.894 -8.297 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.588 -6.951 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.033 -5.387 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.271 -6.307 10.359 1.00 0.00 H new ATOM 1072 N TYR A 95 0.705 -7.504 6.503 1.00 0.00 N ATOM 1073 CA TYR A 95 0.174 -8.032 5.248 1.00 0.00 C ATOM 1074 C TYR A 95 0.748 -7.249 4.071 1.00 0.00 C ATOM 1075 O TYR A 95 0.663 -6.022 4.033 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.356 -7.966 5.234 1.00 0.00 C ATOM 1077 CG TYR A 95 -1.996 -8.987 4.321 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.214 -10.291 4.749 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.380 -8.648 3.029 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.798 -11.227 3.916 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.963 -9.579 2.191 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.170 -10.866 2.639 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.751 -11.795 1.806 1.00 0.00 O ATOM 0 H TYR A 95 0.533 -6.509 6.644 1.00 0.00 H new ATOM 0 HA TYR A 95 0.470 -9.077 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.727 -8.114 6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.666 -6.968 4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.922 -10.578 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.220 -7.641 2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.962 -12.236 4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.255 -9.300 1.190 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.954 -11.379 0.942 1.00 0.00 H new ATOM 1093 N VAL A 96 1.332 -7.953 3.110 1.00 0.00 N ATOM 1094 CA VAL A 96 1.936 -7.294 1.956 1.00 0.00 C ATOM 1095 C VAL A 96 1.099 -7.455 0.678 1.00 0.00 C ATOM 1096 O VAL A 96 0.531 -8.515 0.409 1.00 0.00 O ATOM 1097 CB VAL A 96 3.385 -7.799 1.725 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.415 -9.109 0.947 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.214 -6.737 1.019 1.00 0.00 C ATOM 0 H VAL A 96 1.401 -8.971 3.104 1.00 0.00 H new ATOM 0 HA VAL A 96 1.966 -6.229 2.186 1.00 0.00 H new ATOM 0 HB VAL A 96 3.823 -7.993 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.449 -9.426 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.872 -9.874 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.946 -8.965 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.227 -7.109 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.763 -6.505 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.247 -5.835 1.631 1.00 0.00 H new ATOM 1109 N VAL A 97 1.007 -6.368 -0.085 1.00 0.00 N ATOM 1110 CA VAL A 97 0.269 -6.361 -1.348 1.00 0.00 C ATOM 1111 C VAL A 97 1.229 -6.147 -2.518 1.00 0.00 C ATOM 1112 O VAL A 97 1.819 -5.077 -2.661 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.818 -5.259 -1.363 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.402 -5.075 -2.760 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.919 -5.587 -0.365 1.00 0.00 C ATOM 0 H VAL A 97 1.438 -5.474 0.151 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.223 -7.329 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.348 -4.320 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.162 -4.294 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.609 -4.789 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.853 -6.010 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.676 -4.803 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.377 -6.541 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.494 -5.653 0.637 1.00 0.00 H new ATOM 1125 N GLU A 98 1.390 -7.176 -3.345 1.00 0.00 N ATOM 1126 CA GLU A 98 2.289 -7.098 -4.495 1.00 0.00 C ATOM 1127 C GLU A 98 1.542 -6.702 -5.768 1.00 0.00 C ATOM 1128 O GLU A 98 0.637 -7.405 -6.217 1.00 0.00 O ATOM 1129 CB GLU A 98 3.008 -8.435 -4.699 1.00 0.00 C ATOM 1130 CG GLU A 98 4.347 -8.513 -3.980 1.00 0.00 C ATOM 1131 CD GLU A 98 4.713 -9.924 -3.556 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.269 -10.883 -4.221 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.452 -10.066 -2.554 1.00 0.00 O ATOM 0 H GLU A 98 0.912 -8.071 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 98 3.026 -6.323 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.366 -9.242 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.166 -8.596 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.127 -8.122 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.318 -7.871 -3.099 1.00 0.00 H new ATOM 1140 N ILE A 99 1.934 -5.569 -6.345 1.00 0.00 N ATOM 1141 CA ILE A 99 1.310 -5.064 -7.568 1.00 0.00 C ATOM 1142 C ILE A 99 2.361 -4.590 -8.572 1.00 0.00 C ATOM 1143 O ILE A 99 3.492 -4.269 -8.203 1.00 0.00 O ATOM 1144 CB ILE A 99 0.335 -3.900 -7.279 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.765 -3.125 -6.030 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.086 -4.428 -7.118 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.001 -1.838 -5.818 1.00 0.00 C ATOM 0 H ILE A 99 2.684 -4.980 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 99 0.750 -5.897 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 99 0.359 -3.215 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.636 -3.763 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.828 -2.897 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.762 -3.597 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.394 -4.930 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.120 -5.134 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.359 -1.345 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.148 -1.180 -6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.063 -2.060 -5.712 1.00 0.00 H new ATOM 1159 N THR A 100 1.982 -4.550 -9.843 1.00 0.00 N ATOM 1160 CA THR A 100 2.894 -4.116 -10.900 1.00 0.00 C ATOM 1161 C THR A 100 2.341 -2.903 -11.648 1.00 0.00 C ATOM 1162 O THR A 100 1.529 -3.045 -12.566 1.00 0.00 O ATOM 1163 CB THR A 100 3.168 -5.247 -11.913 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.345 -6.493 -11.227 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.405 -4.944 -12.745 1.00 0.00 C ATOM 0 H THR A 100 1.052 -4.812 -10.169 1.00 0.00 H new ATOM 0 HA THR A 100 3.829 -3.843 -10.411 1.00 0.00 H new ATOM 0 HB THR A 100 2.308 -5.318 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.517 -7.204 -11.879 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.576 -5.756 -13.451 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.256 -4.013 -13.292 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.270 -4.845 -12.089 1.00 0.00 H new ATOM 1173 N PRO A 101 2.776 -1.690 -11.264 1.00 0.00 N ATOM 1174 CA PRO A 101 2.327 -0.444 -11.902 1.00 0.00 C ATOM 1175 C PRO A 101 2.933 -0.249 -13.292 1.00 0.00 C ATOM 1176 O PRO A 101 4.092 0.134 -13.431 1.00 0.00 O ATOM 1177 CB PRO A 101 2.828 0.635 -10.940 1.00 0.00 C ATOM 1178 CG PRO A 101 4.032 0.034 -10.302 1.00 0.00 C ATOM 1179 CD PRO A 101 3.738 -1.435 -10.174 1.00 0.00 C ATOM 0 HA PRO A 101 1.249 -0.429 -12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.076 1.555 -11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.070 0.889 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.922 0.203 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.222 0.481 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.640 -2.036 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.313 -1.676 -9.199 1.00 0.00 H new ATOM 1187 N GLU A 102 2.142 -0.512 -14.327 1.00 0.00 N ATOM 1188 CA GLU A 102 2.616 -0.368 -15.705 1.00 0.00 C ATOM 1189 C GLU A 102 2.197 0.972 -16.316 1.00 0.00 C ATOM 1190 O GLU A 102 2.345 1.193 -17.521 1.00 0.00 O ATOM 1191 CB GLU A 102 2.095 -1.525 -16.562 1.00 0.00 C ATOM 1192 CG GLU A 102 2.543 -2.896 -16.075 1.00 0.00 C ATOM 1193 CD GLU A 102 1.382 -3.848 -15.844 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.227 -3.373 -15.774 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.628 -5.069 -15.736 1.00 0.00 O ATOM 0 H GLU A 102 1.175 -0.824 -14.242 1.00 0.00 H new ATOM 0 HA GLU A 102 3.706 -0.393 -15.684 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.006 -1.493 -16.577 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.432 -1.386 -17.589 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.224 -3.332 -16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.103 -2.782 -15.147 1.00 0.00 H new ATOM 1202 N GLN A 103 1.683 1.871 -15.483 1.00 0.00 N ATOM 1203 CA GLN A 103 1.251 3.188 -15.946 1.00 0.00 C ATOM 1204 C GLN A 103 1.692 4.279 -14.972 1.00 0.00 C ATOM 1205 O GLN A 103 1.474 4.174 -13.768 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.270 3.222 -16.116 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.721 3.409 -17.558 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.296 2.140 -18.160 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.506 2.009 -18.319 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.432 1.197 -18.500 1.00 0.00 N ATOM 0 H GLN A 103 1.555 1.713 -14.483 1.00 0.00 H new ATOM 0 HA GLN A 103 1.720 3.377 -16.912 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.691 2.293 -15.731 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.676 4.032 -15.510 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.471 4.199 -17.600 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.126 3.741 -18.159 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.567 1.343 -18.352 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.765 0.324 -18.910 1.00 0.00 H new ATOM 1219 N ALA A 104 2.313 5.326 -15.505 1.00 0.00 N ATOM 1220 CA ALA A 104 2.787 6.436 -14.685 1.00 0.00 C ATOM 1221 C ALA A 104 1.694 7.482 -14.479 1.00 0.00 C ATOM 1222 O ALA A 104 1.081 7.955 -15.436 1.00 0.00 O ATOM 1223 CB ALA A 104 4.016 7.071 -15.316 1.00 0.00 C ATOM 0 H ALA A 104 2.500 5.430 -16.502 1.00 0.00 H new ATOM 0 HA ALA A 104 3.057 6.039 -13.707 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.359 7.898 -14.694 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.808 6.327 -15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.764 7.445 -16.308 1.00 0.00 H new ATOM 1229 N GLY A 105 1.458 7.836 -13.223 1.00 0.00 N ATOM 1230 CA GLY A 105 0.442 8.824 -12.906 1.00 0.00 C ATOM 1231 C GLY A 105 0.081 8.846 -11.432 1.00 0.00 C ATOM 1232 O GLY A 105 0.880 8.449 -10.579 1.00 0.00 O ATOM 0 H GLY A 105 1.952 7.457 -12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.797 9.811 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.454 8.618 -13.492 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.130 9.306 -11.134 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.607 9.391 -9.758 1.00 0.00 C ATOM 1238 C GLU A 106 -2.670 8.329 -9.480 1.00 0.00 C ATOM 1239 O GLU A 106 -3.672 8.232 -10.187 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.174 10.785 -9.475 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.255 11.658 -8.634 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.547 13.137 -8.792 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.452 13.643 -9.931 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -1.869 13.793 -7.776 1.00 0.00 O ATOM 0 H GLU A 106 -1.802 9.627 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.759 9.211 -9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.371 11.287 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.131 10.682 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.358 11.382 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.220 11.464 -8.914 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.437 7.537 -8.443 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.354 6.471 -8.052 1.00 0.00 C ATOM 1253 C PHE A 107 -3.775 6.642 -6.590 1.00 0.00 C ATOM 1254 O PHE A 107 -3.174 7.430 -5.860 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.676 5.113 -8.272 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.411 4.813 -9.722 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -3.419 4.328 -10.535 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -1.155 5.021 -10.270 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -3.183 4.053 -11.868 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -0.913 4.748 -11.602 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.927 4.262 -12.403 1.00 0.00 C ATOM 0 H PHE A 107 -1.611 7.613 -7.850 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.253 6.520 -8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.734 5.091 -7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.306 4.327 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.403 4.162 -10.123 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.357 5.401 -9.649 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.980 3.675 -12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.070 4.915 -12.017 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.739 4.046 -13.444 1.00 0.00 H new ATOM 1271 N SER A 108 -4.803 5.919 -6.158 1.00 0.00 N ATOM 1272 CA SER A 108 -5.272 6.035 -4.776 1.00 0.00 C ATOM 1273 C SER A 108 -5.820 4.714 -4.237 1.00 0.00 C ATOM 1274 O SER A 108 -6.214 3.829 -4.998 1.00 0.00 O ATOM 1275 CB SER A 108 -6.353 7.115 -4.668 1.00 0.00 C ATOM 1276 OG SER A 108 -5.995 8.106 -3.719 1.00 0.00 O ATOM 0 H SER A 108 -5.323 5.255 -6.732 1.00 0.00 H new ATOM 0 HA SER A 108 -4.408 6.312 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.506 7.579 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.300 6.658 -4.381 1.00 0.00 H new ATOM 0 HG SER A 108 -6.701 8.784 -3.671 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.834 4.601 -2.912 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.341 3.410 -2.230 1.00 0.00 C ATOM 1284 C PHE A 109 -7.006 3.790 -0.903 1.00 0.00 C ATOM 1285 O PHE A 109 -6.478 4.606 -0.146 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.213 2.389 -1.996 1.00 0.00 C ATOM 1287 CG PHE A 109 -4.010 2.930 -1.266 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.977 3.550 -1.958 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.909 2.811 0.113 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.874 4.040 -1.286 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.806 3.300 0.786 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.788 3.915 0.086 1.00 0.00 C ATOM 0 H PHE A 109 -5.496 5.328 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.091 2.947 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.615 1.548 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.889 1.999 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.037 3.650 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.702 2.330 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.078 4.521 -1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.740 3.201 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.925 4.298 0.611 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.171 3.206 -0.632 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.907 3.494 0.601 1.00 0.00 C ATOM 1304 C ALA A 110 -9.952 2.416 0.892 1.00 0.00 C ATOM 1305 O ALA A 110 -10.296 1.620 0.019 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.577 4.861 0.510 1.00 0.00 C ATOM 0 H ALA A 110 -8.627 2.532 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.191 3.500 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.120 5.062 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.818 5.629 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.272 4.870 -0.330 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.802 7.829 -1.113 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.431 8.173 -2.484 1.00 0.00 C ATOM 1421 C LYS A 119 -1.149 7.461 -2.921 1.00 0.00 C ATOM 1422 O LYS A 119 -0.272 7.170 -2.108 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.262 9.688 -2.614 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.457 10.212 -4.030 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.707 11.712 -4.040 1.00 0.00 C ATOM 1426 CE LYS A 119 -1.515 12.476 -4.593 1.00 0.00 C ATOM 1427 NZ LYS A 119 -1.896 13.836 -5.068 1.00 0.00 N ATOM 0 HA LYS A 119 -3.234 7.838 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.975 10.181 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.265 9.963 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.574 9.985 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.298 9.699 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.590 11.930 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.919 12.052 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.750 12.562 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.075 11.914 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.069 14.465 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.231 13.779 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.654 14.214 -4.465 1.00 0.00 H new ATOM 1441 N MET A 120 -1.057 7.183 -4.216 1.00 0.00 N ATOM 1442 CA MET A 120 0.105 6.510 -4.786 1.00 0.00 C ATOM 1443 C MET A 120 0.560 7.211 -6.067 1.00 0.00 C ATOM 1444 O MET A 120 -0.245 7.489 -6.949 1.00 0.00 O ATOM 1445 CB MET A 120 -0.238 5.050 -5.089 1.00 0.00 C ATOM 1446 CG MET A 120 0.970 4.186 -5.394 1.00 0.00 C ATOM 1447 SD MET A 120 0.746 2.481 -4.864 1.00 0.00 S ATOM 1448 CE MET A 120 -0.088 1.804 -6.287 1.00 0.00 C ATOM 0 H MET A 120 -1.780 7.416 -4.897 1.00 0.00 H new ATOM 0 HA MET A 120 0.918 6.549 -4.061 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.769 4.627 -4.236 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.921 5.016 -5.938 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.167 4.207 -6.466 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.847 4.605 -4.900 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.679 0.939 -5.985 1.00 0.00 H new ATOM 0 HE2 MET A 120 -0.745 2.560 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.649 1.499 -7.030 1.00 0.00 H new ATOM 1458 N ILE A 121 1.851 7.500 -6.167 1.00 0.00 N ATOM 1459 CA ILE A 121 2.383 8.165 -7.353 1.00 0.00 C ATOM 1460 C ILE A 121 3.398 7.279 -8.071 1.00 0.00 C ATOM 1461 O ILE A 121 4.431 6.911 -7.508 1.00 0.00 O ATOM 1462 CB ILE A 121 3.033 9.527 -7.009 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.990 10.487 -6.431 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.679 10.142 -8.245 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.996 10.555 -4.920 1.00 0.00 C ATOM 0 H ILE A 121 2.545 7.288 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 121 1.537 8.348 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 121 3.806 9.355 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.167 11.485 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.000 10.179 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.130 11.099 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.449 9.470 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.921 10.297 -9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.231 11.255 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.788 9.566 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.973 10.893 -4.575 1.00 0.00 H new ATOM 1477 N VAL A 122 3.093 6.937 -9.318 1.00 0.00 N ATOM 1478 CA VAL A 122 3.971 6.091 -10.117 1.00 0.00 C ATOM 1479 C VAL A 122 4.785 6.929 -11.105 1.00 0.00 C ATOM 1480 O VAL A 122 4.225 7.625 -11.954 1.00 0.00 O ATOM 1481 CB VAL A 122 3.166 5.019 -10.884 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.093 4.113 -11.679 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.316 4.201 -9.920 1.00 0.00 C ATOM 0 H VAL A 122 2.243 7.233 -9.798 1.00 0.00 H new ATOM 0 HA VAL A 122 4.654 5.590 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 122 2.504 5.526 -11.585 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.504 3.366 -12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.657 4.709 -12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.784 3.614 -11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.755 3.450 -10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.962 3.707 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.622 4.860 -9.398 1.00 0.00 H new ATOM 1493 N GLU A 123 6.114 6.863 -10.975 1.00 0.00 N ATOM 1494 CA GLU A 123 7.040 7.613 -11.839 1.00 0.00 C ATOM 1495 C GLU A 123 6.637 9.087 -11.973 1.00 0.00 C ATOM 1496 O GLU A 123 7.529 9.916 -12.253 1.00 0.00 O ATOM 1497 CB GLU A 123 7.127 6.968 -13.226 1.00 0.00 C ATOM 1498 CG GLU A 123 8.447 6.255 -13.485 1.00 0.00 C ATOM 1499 CD GLU A 123 8.953 6.439 -14.906 1.00 0.00 C ATOM 1500 OE1 GLU A 123 8.253 7.092 -15.710 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.055 5.930 -15.213 1.00 0.00 O ATOM 0 H GLU A 123 6.580 6.291 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 123 8.020 7.577 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.310 6.255 -13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.984 7.737 -13.985 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.197 6.627 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.324 5.191 -13.284 1.00 0.00 H new