USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -0.666 (180deg=-1.05) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0593) USER MOD Single : A 15 SER OG : rot -45:sc= 1.07 USER MOD Single : A 16 THR OG1 : rot -6:sc= 0.642! USER MOD Single : A 17 MET CE :methyl -158:sc= -0.319 (180deg=-1.42) USER MOD Single : A 23 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.00027) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -0.285 (180deg=-1.25!) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.837 F(o=-4.5!,f=-0.84) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 44 ASN : amide:sc= 0.25 X(o=0.25,f=-0.074) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.12) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.48! C(o=-2.5!,f=-2.4!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.774 K(o=-0.77,f=-3.4!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 143:sc= -0.0205! USER MOD Single : A 85 MET CE :methyl -151:sc= -0.993 (180deg=-1.44) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.199) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -1.83! C(o=-2.9!,f=-1.8!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.485 F(o=-3!,f=-0.49) USER MOD Single : A 104 SER OG : rot -75:sc= -6.75! USER MOD Single : A 106 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= -5.37! (180deg=-6.77!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 56:sc= -1.05! USER MOD Single : A 119 LYS NZ :NH3+ 149:sc= 0.815 (180deg=-1.37) USER MOD Single : A 121 ASN : amide:sc= -0.625 K(o=-0.63,f=-4.3!) USER MOD Single : A 122 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.466) USER MOD Single : A 126 LYS NZ :NH3+ 140:sc= 0.385 (180deg=-1.07) USER MOD Single : A 129 MET CE :methyl -156:sc= -0.18 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.901 0.239 9.286 1.00 0.00 N ATOM 2 CA ALA A 2 -12.900 1.325 9.479 1.00 0.00 C ATOM 3 C ALA A 2 -13.451 2.634 8.910 1.00 0.00 C ATOM 4 O ALA A 2 -14.484 2.655 8.270 1.00 0.00 O ATOM 5 CB ALA A 2 -11.603 0.960 8.753 1.00 0.00 C ATOM 0 HA ALA A 2 -12.699 1.447 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.871 1.755 8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.209 0.028 9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.804 0.837 7.689 1.00 0.00 H new ATOM 11 N ASP A 3 -12.770 3.724 9.137 1.00 0.00 N ATOM 12 CA ASP A 3 -13.252 5.031 8.608 1.00 0.00 C ATOM 13 C ASP A 3 -13.664 4.864 7.143 1.00 0.00 C ATOM 14 O ASP A 3 -13.077 4.094 6.411 1.00 0.00 O ATOM 15 CB ASP A 3 -12.125 6.063 8.704 1.00 0.00 C ATOM 16 CG ASP A 3 -12.492 7.129 9.737 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.464 7.831 9.516 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.792 7.227 10.733 1.00 0.00 O ATOM 0 H ASP A 3 -11.899 3.766 9.667 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.108 5.369 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.193 5.573 8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.959 6.527 7.732 1.00 0.00 H new ATOM 23 N LYS A 4 -14.666 5.579 6.708 1.00 0.00 N ATOM 24 CA LYS A 4 -15.099 5.450 5.288 1.00 0.00 C ATOM 25 C LYS A 4 -14.332 6.457 4.436 1.00 0.00 C ATOM 26 O LYS A 4 -14.764 6.835 3.365 1.00 0.00 O ATOM 27 CB LYS A 4 -16.594 5.740 5.168 1.00 0.00 C ATOM 28 CG LYS A 4 -17.393 4.642 5.871 1.00 0.00 C ATOM 29 CD LYS A 4 -17.812 3.592 4.840 1.00 0.00 C ATOM 30 CE LYS A 4 -18.499 2.418 5.540 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.958 2.840 6.893 1.00 0.00 N ATOM 0 H LYS A 4 -15.200 6.242 7.270 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.898 4.435 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.822 6.709 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.880 5.795 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.791 4.181 6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.273 5.067 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.488 4.037 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.938 3.239 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.348 2.075 4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.809 1.578 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.513 2.074 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.133 3.050 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.550 3.691 6.809 1.00 0.00 H new ATOM 45 N GLU A 5 -13.202 6.901 4.904 1.00 0.00 N ATOM 46 CA GLU A 5 -12.410 7.889 4.124 1.00 0.00 C ATOM 47 C GLU A 5 -10.941 7.785 4.526 1.00 0.00 C ATOM 48 O GLU A 5 -10.266 8.780 4.700 1.00 0.00 O ATOM 49 CB GLU A 5 -12.916 9.305 4.422 1.00 0.00 C ATOM 50 CG GLU A 5 -14.303 9.507 3.805 1.00 0.00 C ATOM 51 CD GLU A 5 -14.655 10.996 3.822 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.273 11.686 2.891 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.300 11.421 4.767 1.00 0.00 O ATOM 0 H GLU A 5 -12.791 6.622 5.795 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.518 7.682 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.962 9.464 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.220 10.041 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.316 9.131 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.048 8.940 4.363 1.00 0.00 H new ATOM 60 N LEU A 6 -10.432 6.591 4.678 1.00 0.00 N ATOM 61 CA LEU A 6 -9.015 6.446 5.065 1.00 0.00 C ATOM 62 C LEU A 6 -8.152 6.851 3.867 1.00 0.00 C ATOM 63 O LEU A 6 -8.266 6.288 2.807 1.00 0.00 O ATOM 64 CB LEU A 6 -8.761 4.984 5.464 1.00 0.00 C ATOM 65 CG LEU A 6 -7.320 4.778 5.946 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.974 5.778 7.045 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.184 3.376 6.526 1.00 0.00 C ATOM 0 H LEU A 6 -10.942 5.717 4.549 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.765 7.083 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.455 4.695 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.958 4.333 4.612 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.649 4.919 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.948 5.616 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.076 6.792 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.651 5.641 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.161 3.223 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.871 3.261 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.422 2.640 5.758 1.00 0.00 H new ATOM 79 N LYS A 7 -7.326 7.852 4.013 1.00 0.00 N ATOM 80 CA LYS A 7 -6.496 8.318 2.856 1.00 0.00 C ATOM 81 C LYS A 7 -5.548 7.216 2.364 1.00 0.00 C ATOM 82 O LYS A 7 -4.800 6.638 3.130 1.00 0.00 O ATOM 83 CB LYS A 7 -5.675 9.536 3.284 1.00 0.00 C ATOM 84 CG LYS A 7 -6.388 10.814 2.838 1.00 0.00 C ATOM 85 CD LYS A 7 -5.612 12.033 3.339 1.00 0.00 C ATOM 86 CE LYS A 7 -6.289 13.309 2.835 1.00 0.00 C ATOM 87 NZ LYS A 7 -7.532 13.555 3.620 1.00 0.00 N ATOM 0 H LYS A 7 -7.188 8.369 4.881 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.168 8.579 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.545 9.538 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.679 9.490 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.464 10.840 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.405 10.831 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.577 12.033 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.581 11.992 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.611 14.156 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.528 13.213 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.910 14.495 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.239 12.829 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.315 13.513 4.636 1.00 0.00 H new ATOM 101 N PHE A 8 -5.570 6.941 1.076 1.00 0.00 N ATOM 102 CA PHE A 8 -4.675 5.902 0.500 1.00 0.00 C ATOM 103 C PHE A 8 -3.688 6.549 -0.469 1.00 0.00 C ATOM 104 O PHE A 8 -3.944 7.589 -1.035 1.00 0.00 O ATOM 105 CB PHE A 8 -5.497 4.888 -0.301 1.00 0.00 C ATOM 106 CG PHE A 8 -6.303 4.010 0.619 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.538 4.455 1.085 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.822 2.752 1.002 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.295 3.651 1.944 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.578 1.945 1.861 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.814 2.397 2.335 1.00 0.00 C ATOM 0 H PHE A 8 -6.179 7.402 0.400 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.151 5.412 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.163 5.413 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.833 4.273 -0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.912 5.422 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.868 2.404 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.251 3.999 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.207 0.975 2.157 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.396 1.779 3.002 1.00 0.00 H new ATOM 121 N LEU A 9 -2.577 5.914 -0.683 1.00 0.00 N ATOM 122 CA LEU A 9 -1.572 6.437 -1.646 1.00 0.00 C ATOM 123 C LEU A 9 -1.099 5.239 -2.463 1.00 0.00 C ATOM 124 O LEU A 9 -0.298 4.445 -2.013 1.00 0.00 O ATOM 125 CB LEU A 9 -0.426 7.103 -0.856 1.00 0.00 C ATOM 126 CG LEU A 9 0.894 7.353 -1.653 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.792 7.162 -3.175 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.335 8.794 -1.399 1.00 0.00 C ATOM 0 H LEU A 9 -2.316 5.041 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.977 7.195 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.783 8.059 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.194 6.479 0.007 1.00 0.00 H new ATOM 0 HG LEU A 9 1.602 6.605 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.762 7.360 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.490 6.138 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.052 7.853 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.257 8.994 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.557 9.478 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.507 8.939 -0.332 1.00 0.00 H new ATOM 140 N VAL A 10 -1.604 5.093 -3.662 1.00 0.00 N ATOM 141 CA VAL A 10 -1.199 3.936 -4.499 1.00 0.00 C ATOM 142 C VAL A 10 -0.008 4.324 -5.383 1.00 0.00 C ATOM 143 O VAL A 10 -0.099 5.193 -6.229 1.00 0.00 O ATOM 144 CB VAL A 10 -2.390 3.514 -5.364 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.638 3.380 -4.489 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.647 4.566 -6.442 1.00 0.00 C ATOM 0 H VAL A 10 -2.278 5.727 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.898 3.103 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.165 2.557 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.485 3.080 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.464 2.627 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.855 4.338 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.495 4.260 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.866 5.524 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.763 4.665 -7.071 1.00 0.00 H new ATOM 156 N VAL A 11 1.113 3.684 -5.184 1.00 0.00 N ATOM 157 CA VAL A 11 2.313 4.005 -5.996 1.00 0.00 C ATOM 158 C VAL A 11 2.405 3.032 -7.175 1.00 0.00 C ATOM 159 O VAL A 11 2.950 1.953 -7.053 1.00 0.00 O ATOM 160 CB VAL A 11 3.575 3.876 -5.135 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.753 4.539 -5.848 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.359 4.561 -3.780 1.00 0.00 C ATOM 0 H VAL A 11 1.246 2.949 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 11 2.232 5.027 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 11 3.787 2.819 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.649 4.446 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.919 4.051 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.533 5.594 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.261 4.464 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.139 5.617 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.523 4.089 -3.263 1.00 0.00 H new ATOM 172 N ASP A 12 1.874 3.406 -8.312 1.00 0.00 N ATOM 173 CA ASP A 12 1.925 2.507 -9.506 1.00 0.00 C ATOM 174 C ASP A 12 2.435 3.292 -10.714 1.00 0.00 C ATOM 175 O ASP A 12 1.859 4.283 -11.104 1.00 0.00 O ATOM 176 CB ASP A 12 0.520 1.981 -9.809 1.00 0.00 C ATOM 177 CG ASP A 12 -0.370 2.148 -8.576 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.092 1.845 -7.489 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.501 2.576 -8.741 1.00 0.00 O ATOM 0 H ASP A 12 1.405 4.299 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 12 2.595 1.672 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.093 2.522 -10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.568 0.930 -10.095 1.00 0.00 H new ATOM 184 N ASP A 13 3.510 2.859 -11.312 1.00 0.00 N ATOM 185 CA ASP A 13 4.043 3.591 -12.495 1.00 0.00 C ATOM 186 C ASP A 13 3.037 3.507 -13.645 1.00 0.00 C ATOM 187 O ASP A 13 3.025 4.336 -14.534 1.00 0.00 O ATOM 188 CB ASP A 13 5.370 2.967 -12.930 1.00 0.00 C ATOM 189 CG ASP A 13 5.535 3.125 -14.442 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.414 4.243 -14.917 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.780 2.127 -15.100 1.00 0.00 O ATOM 0 H ASP A 13 4.041 2.033 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 13 4.205 4.636 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.198 3.449 -12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.394 1.912 -12.659 1.00 0.00 H new ATOM 196 N PHE A 14 2.191 2.513 -13.636 1.00 0.00 N ATOM 197 CA PHE A 14 1.187 2.376 -14.730 1.00 0.00 C ATOM 198 C PHE A 14 0.338 3.646 -14.808 1.00 0.00 C ATOM 199 O PHE A 14 0.049 4.275 -13.809 1.00 0.00 O ATOM 200 CB PHE A 14 0.283 1.176 -14.442 1.00 0.00 C ATOM 201 CG PHE A 14 0.658 0.033 -15.355 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.263 0.052 -16.698 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.399 -1.046 -14.858 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.610 -1.008 -17.545 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.746 -2.106 -15.704 1.00 0.00 C ATOM 206 CZ PHE A 14 1.351 -2.087 -17.047 1.00 0.00 C ATOM 0 H PHE A 14 2.152 1.789 -12.918 1.00 0.00 H new ATOM 0 HA PHE A 14 1.702 2.226 -15.679 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.385 0.872 -13.400 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.761 1.449 -14.594 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.309 0.884 -17.081 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.703 -1.061 -13.822 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.306 -0.993 -18.581 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.318 -2.938 -15.321 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.618 -2.905 -17.700 1.00 0.00 H new ATOM 216 N SER A 15 -0.066 4.029 -15.990 1.00 0.00 N ATOM 217 CA SER A 15 -0.896 5.259 -16.136 1.00 0.00 C ATOM 218 C SER A 15 -2.378 4.877 -16.153 1.00 0.00 C ATOM 219 O SER A 15 -3.213 5.616 -16.636 1.00 0.00 O ATOM 220 CB SER A 15 -0.538 5.964 -17.444 1.00 0.00 C ATOM 221 OG SER A 15 -1.299 7.159 -17.558 1.00 0.00 O ATOM 0 H SER A 15 0.144 3.542 -16.861 1.00 0.00 H new ATOM 0 HA SER A 15 -0.703 5.928 -15.297 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.527 6.194 -17.466 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.740 5.308 -18.291 1.00 0.00 H new ATOM 0 HG SER A 15 -2.231 6.978 -17.314 1.00 0.00 H new ATOM 227 N THR A 16 -2.712 3.730 -15.630 1.00 0.00 N ATOM 228 CA THR A 16 -4.140 3.305 -15.619 1.00 0.00 C ATOM 229 C THR A 16 -4.373 2.333 -14.463 1.00 0.00 C ATOM 230 O THR A 16 -5.492 1.963 -14.169 1.00 0.00 O ATOM 231 CB THR A 16 -4.480 2.616 -16.943 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.735 1.960 -16.826 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.395 1.589 -17.279 1.00 0.00 C ATOM 0 H THR A 16 -2.059 3.069 -15.210 1.00 0.00 H new ATOM 0 HA THR A 16 -4.778 4.180 -15.492 1.00 0.00 H new ATOM 0 HB THR A 16 -4.532 3.361 -17.737 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.051 2.021 -15.900 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.638 1.099 -18.222 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.433 2.093 -17.369 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.341 0.843 -16.486 1.00 0.00 H new ATOM 241 N MET A 17 -3.329 1.919 -13.800 1.00 0.00 N ATOM 242 CA MET A 17 -3.502 0.976 -12.663 1.00 0.00 C ATOM 243 C MET A 17 -4.273 1.674 -11.543 1.00 0.00 C ATOM 244 O MET A 17 -5.060 1.068 -10.852 1.00 0.00 O ATOM 245 CB MET A 17 -2.134 0.533 -12.142 1.00 0.00 C ATOM 246 CG MET A 17 -2.295 -0.057 -10.740 1.00 0.00 C ATOM 247 SD MET A 17 -0.962 -1.238 -10.419 1.00 0.00 S ATOM 248 CE MET A 17 -1.276 -1.453 -8.649 1.00 0.00 C ATOM 0 H MET A 17 -2.366 2.193 -13.997 1.00 0.00 H new ATOM 0 HA MET A 17 -4.056 0.100 -13.001 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.699 -0.207 -12.813 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.450 1.381 -12.116 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.276 0.739 -9.996 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.262 -0.552 -10.652 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.372 -1.817 -8.161 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.564 -0.497 -8.212 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.081 -2.174 -8.507 1.00 0.00 H new ATOM 258 N ARG A 18 -4.059 2.945 -11.353 1.00 0.00 N ATOM 259 CA ARG A 18 -4.795 3.657 -10.271 1.00 0.00 C ATOM 260 C ARG A 18 -6.280 3.331 -10.368 1.00 0.00 C ATOM 261 O ARG A 18 -6.938 3.078 -9.380 1.00 0.00 O ATOM 262 CB ARG A 18 -4.637 5.172 -10.410 1.00 0.00 C ATOM 263 CG ARG A 18 -3.658 5.516 -11.539 1.00 0.00 C ATOM 264 CD ARG A 18 -2.256 5.031 -11.173 1.00 0.00 C ATOM 265 NE ARG A 18 -1.355 6.208 -11.032 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.072 6.036 -10.885 1.00 0.00 C ATOM 267 NH1 ARG A 18 0.407 5.661 -9.730 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.732 6.238 -11.893 1.00 0.00 N ATOM 0 H ARG A 18 -3.412 3.518 -11.895 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.385 3.333 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.607 5.626 -10.613 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.278 5.592 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.983 5.050 -12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.648 6.593 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.285 4.466 -10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.878 4.358 -11.943 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.743 7.151 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.223 5.503 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.411 5.526 -9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.356 6.530 -12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.737 6.104 -11.779 1.00 0.00 H new ATOM 282 N ARG A 19 -6.818 3.363 -11.553 1.00 0.00 N ATOM 283 CA ARG A 19 -8.268 3.084 -11.711 1.00 0.00 C ATOM 284 C ARG A 19 -8.629 1.747 -11.057 1.00 0.00 C ATOM 285 O ARG A 19 -9.714 1.574 -10.540 1.00 0.00 O ATOM 286 CB ARG A 19 -8.617 3.034 -13.200 1.00 0.00 C ATOM 287 CG ARG A 19 -10.085 3.426 -13.396 1.00 0.00 C ATOM 288 CD ARG A 19 -10.645 2.708 -14.626 1.00 0.00 C ATOM 289 NE ARG A 19 -9.568 2.549 -15.643 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.750 2.980 -16.861 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.982 4.246 -17.077 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.700 2.145 -17.863 1.00 0.00 N ATOM 0 H ARG A 19 -6.317 3.570 -12.417 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.835 3.878 -11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.971 3.712 -13.758 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.442 2.032 -13.592 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.664 3.161 -12.512 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.171 4.505 -13.521 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.039 1.732 -14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.475 3.277 -15.046 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.687 2.103 -15.387 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.021 4.898 -16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.124 4.583 -18.029 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.519 1.156 -17.694 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.842 2.482 -18.815 1.00 0.00 H new ATOM 306 N ILE A 20 -7.736 0.795 -11.082 1.00 0.00 N ATOM 307 CA ILE A 20 -8.044 -0.531 -10.467 1.00 0.00 C ATOM 308 C ILE A 20 -8.320 -0.366 -8.974 1.00 0.00 C ATOM 309 O ILE A 20 -9.335 -0.801 -8.468 1.00 0.00 O ATOM 310 CB ILE A 20 -6.844 -1.473 -10.630 1.00 0.00 C ATOM 311 CG1 ILE A 20 -6.659 -1.878 -12.106 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.044 -2.714 -9.758 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.920 -2.554 -12.663 1.00 0.00 C ATOM 0 H ILE A 20 -6.809 0.876 -11.500 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.920 -0.945 -10.966 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.943 -0.950 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.425 -0.995 -12.701 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.811 -2.557 -12.195 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.191 -3.382 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.130 -2.415 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.954 -3.231 -10.064 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.756 -2.827 -13.705 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.138 -3.451 -12.083 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.762 -1.865 -12.596 1.00 0.00 H new ATOM 325 N VAL A 21 -7.407 0.225 -8.259 1.00 0.00 N ATOM 326 CA VAL A 21 -7.595 0.377 -6.790 1.00 0.00 C ATOM 327 C VAL A 21 -8.588 1.502 -6.472 1.00 0.00 C ATOM 328 O VAL A 21 -9.317 1.433 -5.503 1.00 0.00 O ATOM 329 CB VAL A 21 -6.248 0.671 -6.137 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.787 -0.570 -5.372 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.220 1.006 -7.220 1.00 0.00 C ATOM 0 H VAL A 21 -6.537 0.610 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.003 -0.553 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.345 1.515 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.824 -0.370 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.521 -0.819 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.686 -1.407 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.257 1.216 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.118 0.159 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.552 1.881 -7.779 1.00 0.00 H new ATOM 341 N ARG A 22 -8.631 2.532 -7.269 1.00 0.00 N ATOM 342 CA ARG A 22 -9.588 3.642 -6.987 1.00 0.00 C ATOM 343 C ARG A 22 -10.992 3.066 -6.833 1.00 0.00 C ATOM 344 O ARG A 22 -11.660 3.269 -5.838 1.00 0.00 O ATOM 345 CB ARG A 22 -9.587 4.621 -8.162 1.00 0.00 C ATOM 346 CG ARG A 22 -9.031 5.986 -7.728 1.00 0.00 C ATOM 347 CD ARG A 22 -10.081 6.747 -6.907 1.00 0.00 C ATOM 348 NE ARG A 22 -9.651 8.162 -6.741 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.538 9.090 -6.510 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.603 9.175 -7.261 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.362 9.932 -5.529 1.00 0.00 N ATOM 0 H ARG A 22 -8.050 2.655 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.291 4.156 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.984 4.219 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.601 4.740 -8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.126 5.847 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.752 6.569 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.049 6.706 -7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.206 6.277 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.663 8.406 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.741 8.516 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.297 9.900 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.530 9.865 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.056 10.657 -5.349 1.00 0.00 H new ATOM 365 N ASN A 23 -11.438 2.344 -7.818 1.00 0.00 N ATOM 366 CA ASN A 23 -12.785 1.738 -7.769 1.00 0.00 C ATOM 367 C ASN A 23 -12.839 0.722 -6.639 1.00 0.00 C ATOM 368 O ASN A 23 -13.659 0.802 -5.748 1.00 0.00 O ATOM 369 CB ASN A 23 -12.994 1.010 -9.081 1.00 0.00 C ATOM 370 CG ASN A 23 -14.393 1.297 -9.628 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.158 0.387 -9.878 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.764 2.532 -9.827 1.00 0.00 N ATOM 0 H ASN A 23 -10.912 2.147 -8.670 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.547 2.501 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.241 1.325 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.866 -0.062 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.695 2.732 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.123 3.297 -9.618 1.00 0.00 H new ATOM 379 N LEU A 24 -11.963 -0.236 -6.699 1.00 0.00 N ATOM 380 CA LEU A 24 -11.912 -1.302 -5.659 1.00 0.00 C ATOM 381 C LEU A 24 -12.155 -0.689 -4.276 1.00 0.00 C ATOM 382 O LEU A 24 -13.079 -1.052 -3.576 1.00 0.00 O ATOM 383 CB LEU A 24 -10.518 -1.930 -5.694 1.00 0.00 C ATOM 384 CG LEU A 24 -10.487 -3.275 -4.937 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.876 -4.347 -5.841 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.639 -3.173 -3.658 1.00 0.00 C ATOM 0 H LEU A 24 -11.266 -0.329 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.678 -2.053 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.214 -2.086 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.797 -1.244 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.509 -3.535 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.852 -5.299 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.479 -4.449 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.861 -4.058 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.636 -4.135 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.617 -2.898 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.062 -2.414 -3.000 1.00 0.00 H new ATOM 398 N LEU A 25 -11.332 0.245 -3.886 1.00 0.00 N ATOM 399 CA LEU A 25 -11.508 0.893 -2.557 1.00 0.00 C ATOM 400 C LEU A 25 -12.918 1.480 -2.463 1.00 0.00 C ATOM 401 O LEU A 25 -13.635 1.243 -1.512 1.00 0.00 O ATOM 402 CB LEU A 25 -10.473 2.014 -2.404 1.00 0.00 C ATOM 403 CG LEU A 25 -9.134 1.438 -1.926 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.076 2.541 -1.945 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.266 0.894 -0.497 1.00 0.00 C ATOM 0 H LEU A 25 -10.542 0.588 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.369 0.157 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.337 2.526 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.833 2.756 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.842 0.625 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.122 2.136 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.968 2.924 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.383 3.351 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.308 0.489 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.565 1.700 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.019 0.106 -0.476 1.00 0.00 H new ATOM 417 N LYS A 26 -13.323 2.243 -3.441 1.00 0.00 N ATOM 418 CA LYS A 26 -14.682 2.836 -3.399 1.00 0.00 C ATOM 419 C LYS A 26 -15.719 1.719 -3.273 1.00 0.00 C ATOM 420 O LYS A 26 -16.782 1.905 -2.714 1.00 0.00 O ATOM 421 CB LYS A 26 -14.935 3.628 -4.683 1.00 0.00 C ATOM 422 CG LYS A 26 -16.334 4.246 -4.634 1.00 0.00 C ATOM 423 CD LYS A 26 -16.518 5.186 -5.827 1.00 0.00 C ATOM 424 CE LYS A 26 -16.663 6.624 -5.324 1.00 0.00 C ATOM 425 NZ LYS A 26 -15.546 6.938 -4.388 1.00 0.00 N ATOM 0 H LYS A 26 -12.770 2.479 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.761 3.504 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.184 4.410 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.845 2.974 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.091 3.462 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.469 4.794 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.664 5.109 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.401 4.898 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.653 7.317 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.621 6.749 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.382 7.965 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.794 6.616 -3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.682 6.453 -4.704 1.00 0.00 H new ATOM 439 N GLU A 27 -15.418 0.559 -3.791 1.00 0.00 N ATOM 440 CA GLU A 27 -16.381 -0.567 -3.704 1.00 0.00 C ATOM 441 C GLU A 27 -16.712 -0.844 -2.238 1.00 0.00 C ATOM 442 O GLU A 27 -17.831 -1.170 -1.894 1.00 0.00 O ATOM 443 CB GLU A 27 -15.763 -1.816 -4.336 1.00 0.00 C ATOM 444 CG GLU A 27 -16.876 -2.770 -4.773 1.00 0.00 C ATOM 445 CD GLU A 27 -17.330 -2.411 -6.190 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.091 -1.467 -6.325 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.907 -3.085 -7.115 1.00 0.00 O ATOM 0 H GLU A 27 -14.544 0.346 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.295 -0.306 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.150 -1.538 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.105 -2.311 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.519 -3.800 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.717 -2.705 -4.083 1.00 0.00 H new ATOM 454 N LEU A 28 -15.746 -0.717 -1.371 1.00 0.00 N ATOM 455 CA LEU A 28 -16.008 -0.974 0.073 1.00 0.00 C ATOM 456 C LEU A 28 -16.652 0.260 0.702 1.00 0.00 C ATOM 457 O LEU A 28 -17.751 0.204 1.219 1.00 0.00 O ATOM 458 CB LEU A 28 -14.689 -1.284 0.785 1.00 0.00 C ATOM 459 CG LEU A 28 -13.823 -2.173 -0.107 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.575 -2.610 0.662 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.622 -3.410 -0.523 1.00 0.00 C ATOM 0 H LEU A 28 -14.789 -0.447 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.682 -1.825 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.162 -0.358 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.885 -1.784 1.734 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.526 -1.615 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.958 -3.244 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.004 -1.730 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.872 -3.168 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.005 -4.045 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.919 -3.967 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.511 -3.101 -1.072 1.00 0.00 H new ATOM 473 N GLY A 29 -15.979 1.374 0.664 1.00 0.00 N ATOM 474 CA GLY A 29 -16.550 2.604 1.260 1.00 0.00 C ATOM 475 C GLY A 29 -15.436 3.612 1.558 1.00 0.00 C ATOM 476 O GLY A 29 -15.259 4.031 2.681 1.00 0.00 O ATOM 0 H GLY A 29 -15.056 1.483 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.276 3.045 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.084 2.358 2.178 1.00 0.00 H new ATOM 480 N PHE A 30 -14.688 4.007 0.560 1.00 0.00 N ATOM 481 CA PHE A 30 -13.589 4.996 0.785 1.00 0.00 C ATOM 482 C PHE A 30 -13.584 6.013 -0.362 1.00 0.00 C ATOM 483 O PHE A 30 -13.952 5.700 -1.478 1.00 0.00 O ATOM 484 CB PHE A 30 -12.240 4.266 0.822 1.00 0.00 C ATOM 485 CG PHE A 30 -12.179 3.355 2.021 1.00 0.00 C ATOM 486 CD1 PHE A 30 -12.651 2.045 1.929 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.647 3.822 3.220 1.00 0.00 C ATOM 488 CE1 PHE A 30 -12.591 1.197 3.041 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.582 2.980 4.337 1.00 0.00 C ATOM 490 CZ PHE A 30 -12.056 1.666 4.248 1.00 0.00 C ATOM 0 H PHE A 30 -14.790 3.687 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.749 5.509 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.105 3.687 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.426 4.990 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.063 1.685 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.283 4.837 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.956 0.183 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.167 3.344 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.009 1.015 5.108 1.00 0.00 H new ATOM 500 N ASN A 31 -13.177 7.229 -0.103 1.00 0.00 N ATOM 501 CA ASN A 31 -13.161 8.252 -1.191 1.00 0.00 C ATOM 502 C ASN A 31 -12.043 9.271 -0.946 1.00 0.00 C ATOM 503 O ASN A 31 -12.297 10.423 -0.657 1.00 0.00 O ATOM 504 CB ASN A 31 -14.507 8.980 -1.226 1.00 0.00 C ATOM 505 CG ASN A 31 -14.559 9.906 -2.444 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.470 10.128 -3.131 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.603 10.434 -2.775 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.857 7.556 0.809 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.984 7.751 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.322 8.257 -1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.643 9.557 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.454 10.262 -2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.628 11.049 -3.588 1.00 0.00 H new ATOM 514 N ASN A 32 -10.808 8.861 -1.073 1.00 0.00 N ATOM 515 CA ASN A 32 -9.673 9.808 -0.861 1.00 0.00 C ATOM 516 C ASN A 32 -8.360 9.070 -1.139 1.00 0.00 C ATOM 517 O ASN A 32 -7.837 8.371 -0.293 1.00 0.00 O ATOM 518 CB ASN A 32 -9.679 10.331 0.583 1.00 0.00 C ATOM 519 CG ASN A 32 -9.302 11.814 0.585 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.228 12.178 0.152 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.147 12.689 1.058 1.00 0.00 N ATOM 0 H ASN A 32 -10.536 7.908 -1.315 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.775 10.657 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.665 10.194 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.974 9.764 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.905 13.680 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.049 12.382 1.422 1.00 0.00 H new ATOM 528 N VAL A 33 -7.831 9.197 -2.327 1.00 0.00 N ATOM 529 CA VAL A 33 -6.566 8.478 -2.649 1.00 0.00 C ATOM 530 C VAL A 33 -5.751 9.260 -3.685 1.00 0.00 C ATOM 531 O VAL A 33 -6.307 9.941 -4.524 1.00 0.00 O ATOM 532 CB VAL A 33 -6.923 7.104 -3.219 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.775 7.282 -4.477 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.643 6.347 -3.575 1.00 0.00 C ATOM 0 H VAL A 33 -8.217 9.763 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.967 8.375 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.483 6.538 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.030 6.304 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.689 7.820 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.214 7.849 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.900 5.369 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.081 6.912 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.034 6.220 -2.680 1.00 0.00 H new ATOM 544 N GLU A 34 -4.436 9.151 -3.646 1.00 0.00 N ATOM 545 CA GLU A 34 -3.589 9.868 -4.646 1.00 0.00 C ATOM 546 C GLU A 34 -2.748 8.837 -5.407 1.00 0.00 C ATOM 547 O GLU A 34 -2.967 7.647 -5.284 1.00 0.00 O ATOM 548 CB GLU A 34 -2.713 10.915 -3.940 1.00 0.00 C ATOM 549 CG GLU A 34 -1.428 10.299 -3.383 1.00 0.00 C ATOM 550 CD GLU A 34 -0.285 10.496 -4.380 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.138 11.602 -4.875 1.00 0.00 O ATOM 552 OE2 GLU A 34 0.428 9.545 -4.622 1.00 0.00 O ATOM 0 H GLU A 34 -3.921 8.596 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.214 10.402 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.460 11.710 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.278 11.374 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.175 10.763 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.577 9.236 -3.191 1.00 0.00 H new ATOM 559 N GLU A 35 -1.806 9.275 -6.200 1.00 0.00 N ATOM 560 CA GLU A 35 -0.983 8.306 -6.986 1.00 0.00 C ATOM 561 C GLU A 35 0.462 8.791 -7.088 1.00 0.00 C ATOM 562 O GLU A 35 0.739 9.973 -7.022 1.00 0.00 O ATOM 563 CB GLU A 35 -1.555 8.177 -8.403 1.00 0.00 C ATOM 564 CG GLU A 35 -3.086 8.106 -8.356 1.00 0.00 C ATOM 565 CD GLU A 35 -3.667 9.494 -8.075 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.016 10.469 -8.411 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.757 9.558 -7.529 1.00 0.00 O ATOM 0 H GLU A 35 -1.571 10.258 -6.338 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.007 7.342 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.242 9.029 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.157 7.283 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.470 7.727 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.402 7.407 -7.582 1.00 0.00 H new ATOM 574 N ALA A 36 1.382 7.878 -7.252 1.00 0.00 N ATOM 575 CA ALA A 36 2.818 8.263 -7.365 1.00 0.00 C ATOM 576 C ALA A 36 3.473 7.436 -8.476 1.00 0.00 C ATOM 577 O ALA A 36 2.797 6.779 -9.243 1.00 0.00 O ATOM 578 CB ALA A 36 3.511 7.997 -6.031 1.00 0.00 C ATOM 0 H ALA A 36 1.199 6.876 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 36 2.907 9.322 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.562 8.276 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.033 8.587 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.433 6.938 -5.785 1.00 0.00 H new ATOM 584 N GLU A 37 4.780 7.478 -8.578 1.00 0.00 N ATOM 585 CA GLU A 37 5.481 6.709 -9.655 1.00 0.00 C ATOM 586 C GLU A 37 6.546 5.781 -9.055 1.00 0.00 C ATOM 587 O GLU A 37 7.193 5.041 -9.768 1.00 0.00 O ATOM 588 CB GLU A 37 6.155 7.692 -10.614 1.00 0.00 C ATOM 589 CG GLU A 37 5.264 8.922 -10.799 1.00 0.00 C ATOM 590 CD GLU A 37 5.657 9.647 -12.087 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.749 8.987 -13.109 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.857 10.848 -12.030 1.00 0.00 O ATOM 0 H GLU A 37 5.392 8.012 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 37 4.748 6.102 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.127 7.990 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.334 7.212 -11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.217 8.623 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.369 9.592 -9.946 1.00 0.00 H new ATOM 599 N ASP A 38 6.737 5.802 -7.761 1.00 0.00 N ATOM 600 CA ASP A 38 7.765 4.905 -7.152 1.00 0.00 C ATOM 601 C ASP A 38 7.924 5.242 -5.670 1.00 0.00 C ATOM 602 O ASP A 38 7.264 6.119 -5.148 1.00 0.00 O ATOM 603 CB ASP A 38 9.112 5.095 -7.859 1.00 0.00 C ATOM 604 CG ASP A 38 9.236 6.534 -8.358 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.580 7.390 -7.559 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.992 6.757 -9.533 1.00 0.00 O ATOM 0 H ASP A 38 6.231 6.396 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 38 7.442 3.870 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.928 4.866 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.195 4.402 -8.696 1.00 0.00 H new ATOM 611 N GLY A 39 8.797 4.554 -4.988 1.00 0.00 N ATOM 612 CA GLY A 39 8.997 4.839 -3.541 1.00 0.00 C ATOM 613 C GLY A 39 9.531 6.263 -3.375 1.00 0.00 C ATOM 614 O GLY A 39 9.166 6.970 -2.457 1.00 0.00 O ATOM 0 H GLY A 39 9.379 3.808 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.056 4.726 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.698 4.123 -3.111 1.00 0.00 H new ATOM 618 N VAL A 40 10.391 6.691 -4.259 1.00 0.00 N ATOM 619 CA VAL A 40 10.945 8.070 -4.153 1.00 0.00 C ATOM 620 C VAL A 40 9.825 9.083 -4.382 1.00 0.00 C ATOM 621 O VAL A 40 9.710 10.070 -3.682 1.00 0.00 O ATOM 622 CB VAL A 40 12.034 8.267 -5.206 1.00 0.00 C ATOM 623 CG1 VAL A 40 13.051 9.294 -4.702 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.740 6.934 -5.463 1.00 0.00 C ATOM 0 H VAL A 40 10.734 6.145 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 40 11.372 8.215 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 40 11.584 8.625 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.828 9.435 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.548 10.243 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.501 8.936 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.517 7.073 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.190 6.576 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.016 6.202 -5.821 1.00 0.00 H new ATOM 634 N ASP A 41 8.991 8.841 -5.353 1.00 0.00 N ATOM 635 CA ASP A 41 7.875 9.781 -5.625 1.00 0.00 C ATOM 636 C ASP A 41 6.895 9.728 -4.457 1.00 0.00 C ATOM 637 O ASP A 41 6.415 10.740 -3.988 1.00 0.00 O ATOM 638 CB ASP A 41 7.169 9.354 -6.907 1.00 0.00 C ATOM 639 CG ASP A 41 6.372 10.530 -7.474 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.316 10.820 -6.935 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.830 11.121 -8.437 1.00 0.00 O ATOM 0 H ASP A 41 9.036 8.030 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 41 8.254 10.797 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.900 9.011 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.503 8.515 -6.705 1.00 0.00 H new ATOM 646 N ALA A 42 6.604 8.551 -3.980 1.00 0.00 N ATOM 647 CA ALA A 42 5.663 8.427 -2.834 1.00 0.00 C ATOM 648 C ALA A 42 6.253 9.147 -1.624 1.00 0.00 C ATOM 649 O ALA A 42 5.658 10.053 -1.079 1.00 0.00 O ATOM 650 CB ALA A 42 5.459 6.950 -2.492 1.00 0.00 C ATOM 0 H ALA A 42 6.977 7.670 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 42 4.704 8.872 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.769 6.863 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.046 6.430 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.416 6.503 -2.223 1.00 0.00 H new ATOM 656 N LEU A 43 7.423 8.752 -1.201 1.00 0.00 N ATOM 657 CA LEU A 43 8.059 9.413 -0.027 1.00 0.00 C ATOM 658 C LEU A 43 7.952 10.930 -0.181 1.00 0.00 C ATOM 659 O LEU A 43 7.823 11.655 0.785 1.00 0.00 O ATOM 660 CB LEU A 43 9.534 9.014 0.048 1.00 0.00 C ATOM 661 CG LEU A 43 10.191 9.700 1.247 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.931 8.660 2.089 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.184 10.753 0.749 1.00 0.00 C ATOM 0 H LEU A 43 7.967 7.998 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 43 7.551 9.100 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.624 7.932 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.045 9.298 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 43 9.425 10.180 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.399 9.150 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.225 7.909 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.698 8.179 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.653 11.243 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.950 10.272 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.657 11.495 0.149 1.00 0.00 H new ATOM 675 N ASN A 44 8.007 11.415 -1.390 1.00 0.00 N ATOM 676 CA ASN A 44 7.912 12.886 -1.608 1.00 0.00 C ATOM 677 C ASN A 44 6.441 13.304 -1.672 1.00 0.00 C ATOM 678 O ASN A 44 6.080 14.402 -1.295 1.00 0.00 O ATOM 679 CB ASN A 44 8.602 13.248 -2.924 1.00 0.00 C ATOM 680 CG ASN A 44 10.083 13.534 -2.664 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.420 14.483 -1.985 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.987 12.747 -3.179 1.00 0.00 N ATOM 0 H ASN A 44 8.114 10.857 -2.237 1.00 0.00 H new ATOM 0 HA ASN A 44 8.399 13.407 -0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.499 12.431 -3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.125 14.121 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.977 12.929 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.704 11.950 -3.749 1.00 0.00 H new ATOM 689 N LYS A 45 5.588 12.442 -2.153 1.00 0.00 N ATOM 690 CA LYS A 45 4.142 12.794 -2.246 1.00 0.00 C ATOM 691 C LYS A 45 3.420 12.394 -0.960 1.00 0.00 C ATOM 692 O LYS A 45 2.257 12.698 -0.776 1.00 0.00 O ATOM 693 CB LYS A 45 3.510 12.061 -3.435 1.00 0.00 C ATOM 694 CG LYS A 45 3.383 13.019 -4.627 1.00 0.00 C ATOM 695 CD LYS A 45 4.773 13.509 -5.047 1.00 0.00 C ATOM 696 CE LYS A 45 4.731 13.977 -6.504 1.00 0.00 C ATOM 697 NZ LYS A 45 5.643 15.144 -6.675 1.00 0.00 N ATOM 0 H LYS A 45 5.829 11.509 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 45 4.048 13.871 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.121 11.201 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.528 11.678 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.898 12.514 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.754 13.867 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.093 14.326 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.503 12.708 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.032 13.166 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.713 14.253 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.616 15.464 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.336 15.919 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.614 14.865 -6.428 1.00 0.00 H new ATOM 711 N LEU A 46 4.090 11.724 -0.061 1.00 0.00 N ATOM 712 CA LEU A 46 3.417 11.327 1.208 1.00 0.00 C ATOM 713 C LEU A 46 3.584 12.460 2.220 1.00 0.00 C ATOM 714 O LEU A 46 2.777 12.635 3.111 1.00 0.00 O ATOM 715 CB LEU A 46 4.054 10.037 1.769 1.00 0.00 C ATOM 716 CG LEU A 46 2.994 8.925 2.006 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.195 7.771 1.016 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.132 8.380 3.430 1.00 0.00 C ATOM 0 H LEU A 46 5.065 11.437 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 46 2.360 11.140 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.812 9.674 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.562 10.261 2.707 1.00 0.00 H new ATOM 0 HG LEU A 46 2.003 9.356 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.444 7.002 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.094 8.144 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.190 7.346 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.388 7.600 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.130 7.964 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.976 9.187 4.145 1.00 0.00 H new ATOM 730 N GLN A 47 4.622 13.240 2.083 1.00 0.00 N ATOM 731 CA GLN A 47 4.828 14.369 3.030 1.00 0.00 C ATOM 732 C GLN A 47 3.600 15.276 2.983 1.00 0.00 C ATOM 733 O GLN A 47 3.439 16.165 3.797 1.00 0.00 O ATOM 734 CB GLN A 47 6.067 15.170 2.618 1.00 0.00 C ATOM 735 CG GLN A 47 7.312 14.280 2.704 1.00 0.00 C ATOM 736 CD GLN A 47 8.542 15.147 2.980 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.552 15.016 2.318 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.500 16.034 3.937 1.00 0.00 N ATOM 0 H GLN A 47 5.333 13.144 1.358 1.00 0.00 H new ATOM 0 HA GLN A 47 4.972 13.983 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.947 15.546 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.183 16.038 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.190 13.541 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.444 13.730 1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.652 16.144 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.315 16.617 4.128 1.00 0.00 H new ATOM 747 N ALA A 48 2.732 15.055 2.031 1.00 0.00 N ATOM 748 CA ALA A 48 1.511 15.895 1.919 1.00 0.00 C ATOM 749 C ALA A 48 0.876 16.048 3.303 1.00 0.00 C ATOM 750 O ALA A 48 0.880 17.117 3.878 1.00 0.00 O ATOM 751 CB ALA A 48 0.520 15.227 0.962 1.00 0.00 C ATOM 0 H ALA A 48 2.820 14.325 1.325 1.00 0.00 H new ATOM 0 HA ALA A 48 1.774 16.879 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.376 15.842 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.979 15.120 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.251 14.243 1.346 1.00 0.00 H new ATOM 757 N GLY A 49 0.336 14.985 3.842 1.00 0.00 N ATOM 758 CA GLY A 49 -0.290 15.067 5.195 1.00 0.00 C ATOM 759 C GLY A 49 0.084 13.823 5.999 1.00 0.00 C ATOM 760 O GLY A 49 1.140 13.750 6.596 1.00 0.00 O ATOM 0 H GLY A 49 0.302 14.065 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.050 15.964 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.373 15.143 5.103 1.00 0.00 H new ATOM 764 N GLY A 50 -0.771 12.845 6.010 1.00 0.00 N ATOM 765 CA GLY A 50 -0.476 11.595 6.763 1.00 0.00 C ATOM 766 C GLY A 50 -1.275 10.461 6.136 1.00 0.00 C ATOM 767 O GLY A 50 -2.196 9.932 6.727 1.00 0.00 O ATOM 0 H GLY A 50 -1.669 12.856 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.591 11.373 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.743 11.712 7.813 1.00 0.00 H new ATOM 771 N TYR A 51 -0.939 10.101 4.929 1.00 0.00 N ATOM 772 CA TYR A 51 -1.679 9.019 4.234 1.00 0.00 C ATOM 773 C TYR A 51 -1.906 7.855 5.185 1.00 0.00 C ATOM 774 O TYR A 51 -1.057 7.007 5.378 1.00 0.00 O ATOM 775 CB TYR A 51 -0.890 8.583 3.006 1.00 0.00 C ATOM 776 CG TYR A 51 -1.275 9.512 1.891 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.402 9.235 1.118 1.00 0.00 C ATOM 778 CD2 TYR A 51 -0.537 10.678 1.671 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.800 10.128 0.119 1.00 0.00 C ATOM 780 CE2 TYR A 51 -0.925 11.568 0.665 1.00 0.00 C ATOM 781 CZ TYR A 51 -2.061 11.295 -0.108 1.00 0.00 C ATOM 782 OH TYR A 51 -2.454 12.182 -1.090 1.00 0.00 O ATOM 0 H TYR A 51 -0.177 10.515 4.392 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.654 9.382 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.182 8.632 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.120 7.550 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.967 8.331 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.331 10.891 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.676 9.918 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.350 12.464 0.484 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.832 12.939 -1.115 1.00 0.00 H new ATOM 792 N GLY A 52 -3.059 7.826 5.790 1.00 0.00 N ATOM 793 CA GLY A 52 -3.383 6.745 6.751 1.00 0.00 C ATOM 794 C GLY A 52 -3.093 5.392 6.113 1.00 0.00 C ATOM 795 O GLY A 52 -3.120 4.368 6.768 1.00 0.00 O ATOM 0 H GLY A 52 -3.798 8.516 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.794 6.864 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.432 6.805 7.041 1.00 0.00 H new ATOM 799 N PHE A 53 -2.831 5.370 4.836 1.00 0.00 N ATOM 800 CA PHE A 53 -2.561 4.065 4.172 1.00 0.00 C ATOM 801 C PHE A 53 -1.756 4.276 2.879 1.00 0.00 C ATOM 802 O PHE A 53 -1.994 5.208 2.135 1.00 0.00 O ATOM 803 CB PHE A 53 -3.907 3.432 3.810 1.00 0.00 C ATOM 804 CG PHE A 53 -3.953 1.941 4.090 1.00 0.00 C ATOM 805 CD1 PHE A 53 -2.814 1.127 3.981 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.177 1.366 4.437 1.00 0.00 C ATOM 807 CE1 PHE A 53 -2.912 -0.241 4.221 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.274 0.000 4.675 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.139 -0.809 4.567 1.00 0.00 C ATOM 0 H PHE A 53 -2.792 6.189 4.229 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.989 3.426 4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.699 3.927 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.111 3.605 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.863 1.562 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.056 1.988 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.035 -0.865 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.225 -0.436 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.211 -1.871 4.751 1.00 0.00 H new ATOM 819 N VAL A 54 -0.819 3.405 2.598 1.00 0.00 N ATOM 820 CA VAL A 54 -0.015 3.536 1.345 1.00 0.00 C ATOM 821 C VAL A 54 0.033 2.182 0.631 1.00 0.00 C ATOM 822 O VAL A 54 0.712 1.267 1.056 1.00 0.00 O ATOM 823 CB VAL A 54 1.409 3.964 1.696 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.218 4.230 0.420 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.378 5.228 2.552 1.00 0.00 C ATOM 0 H VAL A 54 -0.576 2.607 3.185 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.474 4.282 0.696 1.00 0.00 H new ATOM 0 HB VAL A 54 1.884 3.158 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.230 4.534 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.259 3.322 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.741 5.024 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.397 5.526 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.889 6.030 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.826 5.032 3.471 1.00 0.00 H new ATOM 835 N ILE A 55 -0.670 2.051 -0.460 1.00 0.00 N ATOM 836 CA ILE A 55 -0.656 0.763 -1.217 1.00 0.00 C ATOM 837 C ILE A 55 0.483 0.833 -2.239 1.00 0.00 C ATOM 838 O ILE A 55 0.273 1.130 -3.399 1.00 0.00 O ATOM 839 CB ILE A 55 -1.994 0.588 -1.948 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.144 0.647 -0.939 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.023 -0.768 -2.658 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.444 0.990 -1.668 1.00 0.00 C ATOM 0 H ILE A 55 -1.256 2.782 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.510 -0.080 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.105 1.388 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.243 -0.311 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.934 1.396 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.975 -0.887 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.208 -0.818 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.906 -1.565 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.263 1.032 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.341 1.958 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.655 0.225 -2.415 1.00 0.00 H new ATOM 854 N SER A 56 1.693 0.589 -1.814 1.00 0.00 N ATOM 855 CA SER A 56 2.845 0.670 -2.757 1.00 0.00 C ATOM 856 C SER A 56 3.027 -0.660 -3.489 1.00 0.00 C ATOM 857 O SER A 56 2.480 -1.674 -3.106 1.00 0.00 O ATOM 858 CB SER A 56 4.118 0.997 -1.977 1.00 0.00 C ATOM 859 OG SER A 56 4.876 -0.192 -1.796 1.00 0.00 O ATOM 0 H SER A 56 1.934 0.337 -0.855 1.00 0.00 H new ATOM 0 HA SER A 56 2.647 1.453 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.707 1.739 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.864 1.431 -1.010 1.00 0.00 H new ATOM 0 HG SER A 56 5.694 0.014 -1.297 1.00 0.00 H new ATOM 865 N ASP A 57 3.801 -0.655 -4.543 1.00 0.00 N ATOM 866 CA ASP A 57 4.033 -1.911 -5.312 1.00 0.00 C ATOM 867 C ASP A 57 5.356 -2.541 -4.870 1.00 0.00 C ATOM 868 O ASP A 57 5.669 -2.589 -3.697 1.00 0.00 O ATOM 869 CB ASP A 57 4.099 -1.589 -6.806 1.00 0.00 C ATOM 870 CG ASP A 57 2.811 -0.882 -7.235 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.220 -0.214 -6.403 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.439 -1.021 -8.389 1.00 0.00 O ATOM 0 H ASP A 57 4.283 0.168 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 57 3.216 -2.608 -5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.961 -0.955 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.232 -2.506 -7.381 1.00 0.00 H new ATOM 877 N TRP A 58 6.130 -3.028 -5.802 1.00 0.00 N ATOM 878 CA TRP A 58 7.431 -3.663 -5.439 1.00 0.00 C ATOM 879 C TRP A 58 8.216 -3.971 -6.714 1.00 0.00 C ATOM 880 O TRP A 58 8.016 -4.990 -7.347 1.00 0.00 O ATOM 881 CB TRP A 58 7.153 -4.965 -4.686 1.00 0.00 C ATOM 882 CG TRP A 58 8.440 -5.605 -4.272 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.168 -6.458 -5.031 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.153 -5.470 -3.011 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.282 -6.854 -4.314 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.318 -6.272 -3.062 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.904 -4.736 -1.839 1.00 0.00 C ATOM 888 CZ2 TRP A 58 11.202 -6.344 -1.985 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.792 -4.805 -0.755 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.938 -5.609 -0.828 1.00 0.00 C ATOM 0 H TRP A 58 5.918 -3.014 -6.800 1.00 0.00 H new ATOM 0 HA TRP A 58 8.012 -2.988 -4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.540 -4.762 -3.808 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.586 -5.647 -5.320 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.919 -6.777 -6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.991 -7.497 -4.667 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.023 -4.115 -1.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.084 -6.964 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 9.592 -4.236 0.141 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.617 -5.660 0.011 1.00 0.00 H new ATOM 901 N ASN A 59 9.106 -3.101 -7.102 1.00 0.00 N ATOM 902 CA ASN A 59 9.900 -3.346 -8.339 1.00 0.00 C ATOM 903 C ASN A 59 11.195 -2.534 -8.270 1.00 0.00 C ATOM 904 O ASN A 59 11.639 -2.173 -7.200 1.00 0.00 O ATOM 905 CB ASN A 59 9.073 -2.927 -9.557 1.00 0.00 C ATOM 906 CG ASN A 59 7.964 -3.953 -9.797 1.00 0.00 C ATOM 907 OD1 ASN A 59 6.796 -3.641 -9.674 1.00 0.00 O ATOM 908 ND2 ASN A 59 8.281 -5.173 -10.135 1.00 0.00 N ATOM 0 H ASN A 59 9.318 -2.230 -6.616 1.00 0.00 H new ATOM 0 HA ASN A 59 10.148 -4.404 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.641 -1.940 -9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.712 -2.854 -10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.548 -5.864 -10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.261 -5.435 -10.238 1.00 0.00 H new ATOM 915 N MET A 60 11.813 -2.246 -9.390 1.00 0.00 N ATOM 916 CA MET A 60 13.081 -1.458 -9.349 1.00 0.00 C ATOM 917 C MET A 60 13.178 -0.474 -10.532 1.00 0.00 C ATOM 918 O MET A 60 14.193 -0.428 -11.198 1.00 0.00 O ATOM 919 CB MET A 60 14.274 -2.422 -9.399 1.00 0.00 C ATOM 920 CG MET A 60 14.477 -3.075 -8.029 1.00 0.00 C ATOM 921 SD MET A 60 15.086 -1.839 -6.853 1.00 0.00 S ATOM 922 CE MET A 60 16.387 -2.855 -6.111 1.00 0.00 C ATOM 0 H MET A 60 11.497 -2.520 -10.320 1.00 0.00 H new ATOM 0 HA MET A 60 13.091 -0.880 -8.425 1.00 0.00 H new ATOM 0 HB2 MET A 60 14.101 -3.189 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.175 -1.883 -9.692 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.538 -3.498 -7.674 1.00 0.00 H new ATOM 0 HG3 MET A 60 15.188 -3.898 -8.108 1.00 0.00 H new ATOM 0 HE1 MET A 60 16.904 -2.280 -5.343 1.00 0.00 H new ATOM 0 HE2 MET A 60 15.943 -3.744 -5.662 1.00 0.00 H new ATOM 0 HE3 MET A 60 17.099 -3.154 -6.881 1.00 0.00 H new ATOM 932 N PRO A 61 12.150 0.320 -10.749 1.00 0.00 N ATOM 933 CA PRO A 61 12.180 1.326 -11.826 1.00 0.00 C ATOM 934 C PRO A 61 13.343 2.277 -11.550 1.00 0.00 C ATOM 935 O PRO A 61 13.897 2.898 -12.435 1.00 0.00 O ATOM 936 CB PRO A 61 10.845 2.073 -11.708 1.00 0.00 C ATOM 937 CG PRO A 61 10.069 1.461 -10.514 1.00 0.00 C ATOM 938 CD PRO A 61 10.900 0.289 -9.967 1.00 0.00 C ATOM 0 HA PRO A 61 12.310 0.897 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.015 3.138 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.269 1.976 -12.629 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.908 2.210 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.086 1.116 -10.834 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.096 0.406 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.378 -0.659 -10.092 1.00 0.00 H new ATOM 946 N ASN A 62 13.701 2.379 -10.301 1.00 0.00 N ATOM 947 CA ASN A 62 14.817 3.263 -9.875 1.00 0.00 C ATOM 948 C ASN A 62 15.056 3.002 -8.389 1.00 0.00 C ATOM 949 O ASN A 62 16.152 3.130 -7.881 1.00 0.00 O ATOM 950 CB ASN A 62 14.427 4.728 -10.087 1.00 0.00 C ATOM 951 CG ASN A 62 12.907 4.869 -9.997 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.317 4.576 -8.975 1.00 0.00 O ATOM 953 ND2 ASN A 62 12.241 5.308 -11.030 1.00 0.00 N ATOM 0 H ASN A 62 13.253 1.871 -9.538 1.00 0.00 H new ATOM 0 HA ASN A 62 15.717 3.060 -10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.906 5.355 -9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.778 5.072 -11.060 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.227 5.405 -10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.735 5.554 -11.888 1.00 0.00 H new ATOM 960 N MET A 63 14.015 2.612 -7.703 1.00 0.00 N ATOM 961 CA MET A 63 14.113 2.303 -6.250 1.00 0.00 C ATOM 962 C MET A 63 12.935 1.394 -5.888 1.00 0.00 C ATOM 963 O MET A 63 11.852 1.537 -6.420 1.00 0.00 O ATOM 964 CB MET A 63 14.037 3.597 -5.432 1.00 0.00 C ATOM 965 CG MET A 63 15.301 4.431 -5.660 1.00 0.00 C ATOM 966 SD MET A 63 15.434 5.691 -4.368 1.00 0.00 S ATOM 967 CE MET A 63 17.190 6.065 -4.600 1.00 0.00 C ATOM 0 H MET A 63 13.082 2.493 -8.099 1.00 0.00 H new ATOM 0 HA MET A 63 15.061 1.812 -6.029 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.156 4.169 -5.721 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.931 3.363 -4.373 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.181 3.788 -5.648 1.00 0.00 H new ATOM 0 HG3 MET A 63 15.265 4.904 -6.642 1.00 0.00 H new ATOM 0 HE1 MET A 63 17.495 6.835 -3.891 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.779 5.163 -4.433 1.00 0.00 H new ATOM 0 HE3 MET A 63 17.355 6.422 -5.616 1.00 0.00 H new ATOM 977 N ASP A 64 13.126 0.451 -5.006 1.00 0.00 N ATOM 978 CA ASP A 64 11.997 -0.458 -4.652 1.00 0.00 C ATOM 979 C ASP A 64 11.174 0.147 -3.516 1.00 0.00 C ATOM 980 O ASP A 64 11.585 1.087 -2.868 1.00 0.00 O ATOM 981 CB ASP A 64 12.545 -1.821 -4.225 1.00 0.00 C ATOM 982 CG ASP A 64 13.387 -1.662 -2.959 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.518 -0.542 -2.496 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.886 -2.664 -2.473 1.00 0.00 O ATOM 0 H ASP A 64 14.004 0.271 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 64 11.357 -0.585 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.723 -2.514 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.150 -2.248 -5.025 1.00 0.00 H new ATOM 989 N GLY A 65 10.005 -0.385 -3.279 1.00 0.00 N ATOM 990 CA GLY A 65 9.145 0.162 -2.196 1.00 0.00 C ATOM 991 C GLY A 65 9.681 -0.277 -0.831 1.00 0.00 C ATOM 992 O GLY A 65 9.187 0.135 0.199 1.00 0.00 O ATOM 0 H GLY A 65 9.610 -1.175 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.121 1.250 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.120 -0.187 -2.323 1.00 0.00 H new ATOM 996 N LEU A 66 10.685 -1.112 -0.810 1.00 0.00 N ATOM 997 CA LEU A 66 11.238 -1.568 0.499 1.00 0.00 C ATOM 998 C LEU A 66 11.687 -0.351 1.305 1.00 0.00 C ATOM 999 O LEU A 66 11.150 -0.058 2.356 1.00 0.00 O ATOM 1000 CB LEU A 66 12.435 -2.498 0.261 1.00 0.00 C ATOM 1001 CG LEU A 66 13.028 -2.958 1.600 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.954 -3.656 2.438 1.00 0.00 C ATOM 1003 CD2 LEU A 66 14.168 -3.942 1.334 1.00 0.00 C ATOM 0 H LEU A 66 11.144 -1.496 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 66 10.470 -2.110 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.121 -3.364 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.196 -1.980 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 66 13.400 -2.089 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.385 -3.979 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.134 -2.963 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.577 -4.524 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.593 -4.272 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.784 -4.804 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.941 -3.452 0.741 1.00 0.00 H new ATOM 1015 N GLU A 67 12.665 0.365 0.820 1.00 0.00 N ATOM 1016 CA GLU A 67 13.141 1.568 1.557 1.00 0.00 C ATOM 1017 C GLU A 67 11.935 2.411 1.970 1.00 0.00 C ATOM 1018 O GLU A 67 12.026 3.277 2.818 1.00 0.00 O ATOM 1019 CB GLU A 67 14.055 2.392 0.646 1.00 0.00 C ATOM 1020 CG GLU A 67 14.540 3.633 1.398 1.00 0.00 C ATOM 1021 CD GLU A 67 16.044 3.807 1.179 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.780 2.895 1.516 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.433 4.849 0.679 1.00 0.00 O ATOM 0 H GLU A 67 13.154 0.168 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 67 13.695 1.263 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.907 1.791 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.518 2.687 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.006 4.516 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.326 3.533 2.462 1.00 0.00 H new ATOM 1030 N LEU A 68 10.801 2.156 1.378 1.00 0.00 N ATOM 1031 CA LEU A 68 9.580 2.931 1.728 1.00 0.00 C ATOM 1032 C LEU A 68 9.038 2.441 3.071 1.00 0.00 C ATOM 1033 O LEU A 68 8.883 3.203 4.001 1.00 0.00 O ATOM 1034 CB LEU A 68 8.518 2.717 0.645 1.00 0.00 C ATOM 1035 CG LEU A 68 7.701 4.000 0.436 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.575 5.100 -0.178 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.533 3.700 -0.507 1.00 0.00 C ATOM 0 H LEU A 68 10.668 1.440 0.663 1.00 0.00 H new ATOM 0 HA LEU A 68 9.825 3.991 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.997 2.427 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.856 1.900 0.932 1.00 0.00 H new ATOM 0 HG LEU A 68 7.329 4.344 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.979 6.002 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.409 5.317 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.959 4.764 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.947 4.606 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.919 3.351 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.900 2.929 -0.068 1.00 0.00 H new ATOM 1049 N LEU A 69 8.742 1.175 3.178 1.00 0.00 N ATOM 1050 CA LEU A 69 8.202 0.651 4.462 1.00 0.00 C ATOM 1051 C LEU A 69 9.319 0.626 5.509 1.00 0.00 C ATOM 1052 O LEU A 69 9.089 0.838 6.683 1.00 0.00 O ATOM 1053 CB LEU A 69 7.600 -0.743 4.218 1.00 0.00 C ATOM 1054 CG LEU A 69 8.293 -1.851 5.039 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.964 -1.716 6.537 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.788 -3.214 4.547 1.00 0.00 C ATOM 0 H LEU A 69 8.850 0.484 2.435 1.00 0.00 H new ATOM 0 HA LEU A 69 7.410 1.296 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.539 -0.723 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.674 -0.984 3.158 1.00 0.00 H new ATOM 0 HG LEU A 69 9.371 -1.761 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.465 -2.509 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.307 -0.747 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.887 -1.796 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.269 -4.008 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.708 -3.273 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.028 -3.331 3.490 1.00 0.00 H new ATOM 1068 N LYS A 70 10.532 0.384 5.087 1.00 0.00 N ATOM 1069 CA LYS A 70 11.669 0.359 6.052 1.00 0.00 C ATOM 1070 C LYS A 70 11.828 1.742 6.689 1.00 0.00 C ATOM 1071 O LYS A 70 11.596 1.919 7.867 1.00 0.00 O ATOM 1072 CB LYS A 70 12.957 -0.016 5.314 1.00 0.00 C ATOM 1073 CG LYS A 70 13.809 -0.927 6.200 1.00 0.00 C ATOM 1074 CD LYS A 70 15.234 -0.990 5.646 1.00 0.00 C ATOM 1075 CE LYS A 70 16.076 -1.947 6.493 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.790 -2.901 5.599 1.00 0.00 N ATOM 0 H LYS A 70 10.784 0.203 4.115 1.00 0.00 H new ATOM 0 HA LYS A 70 11.470 -0.378 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.718 -0.522 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.516 0.884 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.821 -0.550 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.376 -1.927 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.217 -1.326 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.681 0.004 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.794 -1.385 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.438 -2.492 7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.363 -3.552 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.096 -3.445 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.410 -2.373 4.952 1.00 0.00 H new ATOM 1090 N THR A 71 12.218 2.724 5.921 1.00 0.00 N ATOM 1091 CA THR A 71 12.387 4.095 6.487 1.00 0.00 C ATOM 1092 C THR A 71 11.146 4.460 7.303 1.00 0.00 C ATOM 1093 O THR A 71 11.212 5.205 8.259 1.00 0.00 O ATOM 1094 CB THR A 71 12.559 5.100 5.346 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.828 4.910 4.737 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.463 6.523 5.896 1.00 0.00 C ATOM 0 H THR A 71 12.427 2.637 4.926 1.00 0.00 H new ATOM 0 HA THR A 71 13.268 4.120 7.128 1.00 0.00 H new ATOM 0 HB THR A 71 11.774 4.947 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.939 5.552 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.586 7.237 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.488 6.668 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.246 6.680 6.637 1.00 0.00 H new ATOM 1104 N ILE A 72 10.015 3.934 6.927 1.00 0.00 N ATOM 1105 CA ILE A 72 8.761 4.234 7.667 1.00 0.00 C ATOM 1106 C ILE A 72 8.786 3.512 9.017 1.00 0.00 C ATOM 1107 O ILE A 72 8.378 4.049 10.028 1.00 0.00 O ATOM 1108 CB ILE A 72 7.581 3.734 6.834 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.212 4.792 5.774 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.388 3.434 7.749 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.127 4.249 4.821 1.00 0.00 C ATOM 0 H ILE A 72 9.906 3.304 6.132 1.00 0.00 H new ATOM 0 HA ILE A 72 8.667 5.306 7.840 1.00 0.00 H new ATOM 0 HB ILE A 72 7.858 2.813 6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.853 5.697 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.099 5.069 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.550 3.078 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.668 2.668 8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.097 4.342 8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.880 5.009 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.499 3.358 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.234 3.996 5.393 1.00 0.00 H new ATOM 1123 N ARG A 73 9.263 2.297 9.042 1.00 0.00 N ATOM 1124 CA ARG A 73 9.316 1.539 10.326 1.00 0.00 C ATOM 1125 C ARG A 73 10.590 1.915 11.088 1.00 0.00 C ATOM 1126 O ARG A 73 10.708 1.674 12.273 1.00 0.00 O ATOM 1127 CB ARG A 73 9.330 0.036 10.028 1.00 0.00 C ATOM 1128 CG ARG A 73 7.908 -0.458 9.722 1.00 0.00 C ATOM 1129 CD ARG A 73 7.009 -0.364 10.965 1.00 0.00 C ATOM 1130 NE ARG A 73 7.831 -0.161 12.192 1.00 0.00 N ATOM 1131 CZ ARG A 73 7.598 -0.873 13.259 1.00 0.00 C ATOM 1132 NH1 ARG A 73 6.398 -1.332 13.487 1.00 0.00 N ATOM 1133 NH2 ARG A 73 8.565 -1.128 14.098 1.00 0.00 N ATOM 0 H ARG A 73 9.619 1.796 8.228 1.00 0.00 H new ATOM 0 HA ARG A 73 8.443 1.785 10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.984 -0.168 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.736 -0.507 10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.480 0.135 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.946 -1.490 9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.306 0.461 10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.418 -1.275 11.063 1.00 0.00 H new ATOM 0 HE ARG A 73 8.576 0.535 12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.643 -1.134 12.831 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.215 -1.889 14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.503 -0.770 13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.382 -1.685 14.933 1.00 0.00 H new ATOM 1147 N ALA A 74 11.542 2.501 10.416 1.00 0.00 N ATOM 1148 CA ALA A 74 12.807 2.888 11.101 1.00 0.00 C ATOM 1149 C ALA A 74 12.477 3.680 12.365 1.00 0.00 C ATOM 1150 O ALA A 74 13.216 3.668 13.329 1.00 0.00 O ATOM 1151 CB ALA A 74 13.649 3.754 10.161 1.00 0.00 C ATOM 0 H ALA A 74 11.499 2.728 9.423 1.00 0.00 H new ATOM 0 HA ALA A 74 13.367 1.992 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.575 4.038 10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.882 3.190 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.090 4.651 9.895 1.00 0.00 H new ATOM 1157 N ASP A 75 11.368 4.366 12.368 1.00 0.00 N ATOM 1158 CA ASP A 75 10.985 5.158 13.568 1.00 0.00 C ATOM 1159 C ASP A 75 10.749 4.208 14.749 1.00 0.00 C ATOM 1160 O ASP A 75 11.493 3.268 14.950 1.00 0.00 O ATOM 1161 CB ASP A 75 9.710 5.947 13.261 1.00 0.00 C ATOM 1162 CG ASP A 75 9.679 7.219 14.112 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.313 7.228 15.153 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.021 8.164 13.705 1.00 0.00 O ATOM 0 H ASP A 75 10.710 4.412 11.590 1.00 0.00 H new ATOM 0 HA ASP A 75 11.783 5.854 13.827 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.675 6.204 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.832 5.336 13.470 1.00 0.00 H new ATOM 1169 N GLY A 76 9.725 4.447 15.531 1.00 0.00 N ATOM 1170 CA GLY A 76 9.445 3.557 16.701 1.00 0.00 C ATOM 1171 C GLY A 76 7.945 3.262 16.776 1.00 0.00 C ATOM 1172 O GLY A 76 7.353 2.766 15.838 1.00 0.00 O ATOM 0 H GLY A 76 9.071 5.220 15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.004 2.626 16.605 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.778 4.035 17.622 1.00 0.00 H new ATOM 1176 N ALA A 77 7.326 3.560 17.887 1.00 0.00 N ATOM 1177 CA ALA A 77 5.864 3.296 18.026 1.00 0.00 C ATOM 1178 C ALA A 77 5.078 4.307 17.186 1.00 0.00 C ATOM 1179 O ALA A 77 3.917 4.565 17.430 1.00 0.00 O ATOM 1180 CB ALA A 77 5.460 3.436 19.495 1.00 0.00 C ATOM 0 H ALA A 77 7.770 3.976 18.706 1.00 0.00 H new ATOM 0 HA ALA A 77 5.644 2.286 17.680 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.392 3.244 19.599 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.018 2.718 20.096 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.682 4.446 19.839 1.00 0.00 H new ATOM 1186 N MET A 78 5.705 4.879 16.196 1.00 0.00 N ATOM 1187 CA MET A 78 5.008 5.872 15.333 1.00 0.00 C ATOM 1188 C MET A 78 5.611 5.815 13.939 1.00 0.00 C ATOM 1189 O MET A 78 6.104 6.799 13.428 1.00 0.00 O ATOM 1190 CB MET A 78 5.194 7.277 15.906 1.00 0.00 C ATOM 1191 CG MET A 78 4.423 7.407 17.220 1.00 0.00 C ATOM 1192 SD MET A 78 4.322 9.155 17.681 1.00 0.00 S ATOM 1193 CE MET A 78 4.028 8.909 19.449 1.00 0.00 C ATOM 0 H MET A 78 6.678 4.699 15.946 1.00 0.00 H new ATOM 0 HA MET A 78 3.944 5.640 15.293 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.253 7.474 16.074 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.841 8.021 15.192 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.422 6.989 17.111 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.922 6.840 18.006 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.932 9.877 19.940 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.110 8.339 19.589 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.865 8.362 19.884 1.00 0.00 H new ATOM 1203 N SER A 79 5.579 4.666 13.329 1.00 0.00 N ATOM 1204 CA SER A 79 6.145 4.524 11.960 1.00 0.00 C ATOM 1205 C SER A 79 5.488 5.550 11.033 1.00 0.00 C ATOM 1206 O SER A 79 5.664 6.743 11.183 1.00 0.00 O ATOM 1207 CB SER A 79 5.864 3.110 11.452 1.00 0.00 C ATOM 1208 OG SER A 79 4.462 2.933 11.305 1.00 0.00 O ATOM 0 H SER A 79 5.182 3.812 13.722 1.00 0.00 H new ATOM 0 HA SER A 79 7.221 4.697 11.979 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.364 2.948 10.497 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.264 2.374 12.150 1.00 0.00 H new ATOM 0 HG SER A 79 4.283 2.385 10.513 1.00 0.00 H new ATOM 1214 N ALA A 80 4.722 5.109 10.081 1.00 0.00 N ATOM 1215 CA ALA A 80 4.051 6.076 9.175 1.00 0.00 C ATOM 1216 C ALA A 80 2.740 5.483 8.686 1.00 0.00 C ATOM 1217 O ALA A 80 2.518 5.358 7.499 1.00 0.00 O ATOM 1218 CB ALA A 80 4.939 6.402 7.979 1.00 0.00 C ATOM 0 H ALA A 80 4.531 4.125 9.891 1.00 0.00 H new ATOM 0 HA ALA A 80 3.860 6.996 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.428 7.112 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.874 6.839 8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.151 5.489 7.423 1.00 0.00 H new ATOM 1224 N LEU A 81 1.862 5.146 9.589 1.00 0.00 N ATOM 1225 CA LEU A 81 0.548 4.607 9.191 1.00 0.00 C ATOM 1226 C LEU A 81 0.738 3.321 8.337 1.00 0.00 C ATOM 1227 O LEU A 81 1.784 3.137 7.748 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.165 5.732 8.433 1.00 0.00 C ATOM 1229 CG LEU A 81 -0.251 6.992 9.329 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -0.390 8.250 8.469 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -1.465 6.891 10.262 1.00 0.00 C ATOM 0 H LEU A 81 2.008 5.225 10.595 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.057 4.306 10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.374 5.963 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.166 5.411 8.143 1.00 0.00 H new ATOM 0 HG LEU A 81 0.664 7.056 9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.449 9.127 9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.476 8.340 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.296 8.181 7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.518 7.781 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.375 6.811 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.366 6.008 10.894 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.257 2.436 8.331 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.173 1.141 7.602 1.00 0.00 C ATOM 1245 C PRO A 82 0.299 1.249 6.144 1.00 0.00 C ATOM 1246 O PRO A 82 -0.028 2.167 5.417 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.593 0.561 7.659 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.470 1.535 8.477 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.551 2.634 9.032 1.00 0.00 C ATOM 0 HA PRO A 82 0.581 0.512 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.996 0.437 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.584 -0.426 8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.249 1.968 7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.971 1.009 9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.959 3.626 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.434 2.544 10.112 1.00 0.00 H new ATOM 1257 N VAL A 83 1.047 0.251 5.727 1.00 0.00 N ATOM 1258 CA VAL A 83 1.556 0.170 4.324 1.00 0.00 C ATOM 1259 C VAL A 83 1.224 -1.216 3.792 1.00 0.00 C ATOM 1260 O VAL A 83 1.669 -2.203 4.341 1.00 0.00 O ATOM 1261 CB VAL A 83 3.096 0.323 4.296 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.734 -0.639 3.263 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.482 1.742 3.905 1.00 0.00 C ATOM 0 H VAL A 83 1.331 -0.529 6.320 1.00 0.00 H new ATOM 0 HA VAL A 83 1.101 0.961 3.728 1.00 0.00 H new ATOM 0 HB VAL A 83 3.460 0.088 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.816 -0.509 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.491 -1.669 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.344 -0.417 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.568 1.833 3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.085 1.967 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.069 2.444 4.629 1.00 0.00 H new ATOM 1273 N LEU A 84 0.498 -1.312 2.714 1.00 0.00 N ATOM 1274 CA LEU A 84 0.223 -2.660 2.155 1.00 0.00 C ATOM 1275 C LEU A 84 1.153 -2.869 0.969 1.00 0.00 C ATOM 1276 O LEU A 84 0.994 -2.275 -0.077 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.234 -2.795 1.707 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.761 -4.222 1.984 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.769 -5.300 1.509 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.014 -4.431 3.486 1.00 0.00 C ATOM 0 H LEU A 84 0.090 -0.529 2.204 1.00 0.00 H new ATOM 0 HA LEU A 84 0.395 -3.414 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.850 -2.066 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.315 -2.572 0.643 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.693 -4.321 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.176 -6.288 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.607 -5.198 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.179 -5.178 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.384 -5.442 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.083 -4.289 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.754 -3.711 3.834 1.00 0.00 H new ATOM 1292 N MET A 85 2.132 -3.705 1.137 1.00 0.00 N ATOM 1293 CA MET A 85 3.090 -3.956 0.037 1.00 0.00 C ATOM 1294 C MET A 85 2.465 -4.942 -0.972 1.00 0.00 C ATOM 1295 O MET A 85 2.483 -6.142 -0.764 1.00 0.00 O ATOM 1296 CB MET A 85 4.366 -4.560 0.636 1.00 0.00 C ATOM 1297 CG MET A 85 5.335 -4.985 -0.472 1.00 0.00 C ATOM 1298 SD MET A 85 5.473 -6.792 -0.478 1.00 0.00 S ATOM 1299 CE MET A 85 5.008 -7.076 -2.204 1.00 0.00 C ATOM 0 H MET A 85 2.310 -4.228 1.995 1.00 0.00 H new ATOM 0 HA MET A 85 3.327 -3.026 -0.480 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.848 -3.831 1.288 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.112 -5.421 1.254 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.978 -4.632 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.314 -4.534 -0.309 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.538 -8.055 -2.298 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.307 -6.305 -2.524 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.899 -7.039 -2.831 1.00 0.00 H new ATOM 1309 N VAL A 86 1.909 -4.457 -2.058 1.00 0.00 N ATOM 1310 CA VAL A 86 1.295 -5.379 -3.056 1.00 0.00 C ATOM 1311 C VAL A 86 2.270 -5.618 -4.208 1.00 0.00 C ATOM 1312 O VAL A 86 3.173 -4.841 -4.442 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.012 -4.777 -3.589 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.635 -3.866 -2.535 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.241 -3.966 -4.860 1.00 0.00 C ATOM 0 H VAL A 86 1.856 -3.466 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 86 1.074 -6.332 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.692 -5.597 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.562 -3.443 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.847 -4.443 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.059 -3.060 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.700 -3.549 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.937 -3.156 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.667 -4.614 -5.626 1.00 0.00 H new ATOM 1325 N THR A 87 2.098 -6.694 -4.927 1.00 0.00 N ATOM 1326 CA THR A 87 3.027 -6.978 -6.064 1.00 0.00 C ATOM 1327 C THR A 87 2.297 -7.760 -7.160 1.00 0.00 C ATOM 1328 O THR A 87 1.286 -8.387 -6.919 1.00 0.00 O ATOM 1329 CB THR A 87 4.214 -7.800 -5.559 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.958 -8.284 -6.668 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.706 -8.978 -4.729 1.00 0.00 C ATOM 0 H THR A 87 1.362 -7.385 -4.780 1.00 0.00 H new ATOM 0 HA THR A 87 3.381 -6.033 -6.477 1.00 0.00 H new ATOM 0 HB THR A 87 4.853 -7.172 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.720 -8.810 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.553 -9.562 -4.370 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.136 -8.605 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.066 -9.608 -5.346 1.00 0.00 H new ATOM 1339 N ALA A 88 2.810 -7.729 -8.364 1.00 0.00 N ATOM 1340 CA ALA A 88 2.153 -8.471 -9.480 1.00 0.00 C ATOM 1341 C ALA A 88 2.863 -9.807 -9.697 1.00 0.00 C ATOM 1342 O ALA A 88 2.451 -10.614 -10.507 1.00 0.00 O ATOM 1343 CB ALA A 88 2.237 -7.645 -10.765 1.00 0.00 C ATOM 0 H ALA A 88 3.656 -7.221 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 88 1.108 -8.648 -9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.757 -8.188 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.731 -6.691 -10.618 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.283 -7.467 -11.015 1.00 0.00 H new ATOM 1349 N GLU A 89 3.930 -10.046 -8.984 1.00 0.00 N ATOM 1350 CA GLU A 89 4.667 -11.328 -9.155 1.00 0.00 C ATOM 1351 C GLU A 89 5.245 -11.771 -7.809 1.00 0.00 C ATOM 1352 O GLU A 89 6.427 -12.018 -7.685 1.00 0.00 O ATOM 1353 CB GLU A 89 5.806 -11.127 -10.158 1.00 0.00 C ATOM 1354 CG GLU A 89 6.427 -12.481 -10.510 1.00 0.00 C ATOM 1355 CD GLU A 89 7.951 -12.379 -10.430 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.447 -12.007 -9.381 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.597 -12.677 -11.422 1.00 0.00 O ATOM 0 H GLU A 89 4.322 -9.408 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 89 3.985 -12.094 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.429 -10.643 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.564 -10.467 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.067 -13.248 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.124 -12.782 -11.513 1.00 0.00 H new ATOM 1364 N ALA A 90 4.422 -11.880 -6.801 1.00 0.00 N ATOM 1365 CA ALA A 90 4.938 -12.314 -5.474 1.00 0.00 C ATOM 1366 C ALA A 90 5.725 -13.618 -5.654 1.00 0.00 C ATOM 1367 O ALA A 90 5.178 -14.702 -5.619 1.00 0.00 O ATOM 1368 CB ALA A 90 3.764 -12.524 -4.509 1.00 0.00 C ATOM 0 H ALA A 90 3.421 -11.688 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 90 5.595 -11.551 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.144 -12.842 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.214 -11.589 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.099 -13.290 -4.907 1.00 0.00 H new ATOM 1374 N LYS A 91 7.009 -13.515 -5.866 1.00 0.00 N ATOM 1375 CA LYS A 91 7.836 -14.738 -6.067 1.00 0.00 C ATOM 1376 C LYS A 91 8.074 -15.426 -4.720 1.00 0.00 C ATOM 1377 O LYS A 91 7.518 -16.468 -4.439 1.00 0.00 O ATOM 1378 CB LYS A 91 9.179 -14.348 -6.692 1.00 0.00 C ATOM 1379 CG LYS A 91 9.790 -15.561 -7.398 1.00 0.00 C ATOM 1380 CD LYS A 91 11.229 -15.241 -7.810 1.00 0.00 C ATOM 1381 CE LYS A 91 11.560 -15.955 -9.122 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.388 -17.425 -8.946 1.00 0.00 N ATOM 0 H LYS A 91 7.522 -12.634 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 91 7.313 -15.425 -6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.038 -13.534 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.858 -13.983 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.774 -16.427 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.198 -15.820 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.353 -14.165 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.920 -15.557 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.909 -15.595 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.584 -15.731 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.847 -17.925 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.823 -17.720 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.374 -17.657 -8.932 1.00 0.00 H new ATOM 1396 N LYS A 92 8.895 -14.850 -3.886 1.00 0.00 N ATOM 1397 CA LYS A 92 9.168 -15.472 -2.560 1.00 0.00 C ATOM 1398 C LYS A 92 10.111 -14.570 -1.762 1.00 0.00 C ATOM 1399 O LYS A 92 9.705 -13.896 -0.835 1.00 0.00 O ATOM 1400 CB LYS A 92 9.819 -16.844 -2.764 1.00 0.00 C ATOM 1401 CG LYS A 92 8.927 -17.929 -2.157 1.00 0.00 C ATOM 1402 CD LYS A 92 9.555 -19.302 -2.410 1.00 0.00 C ATOM 1403 CE LYS A 92 8.680 -20.389 -1.785 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.815 -21.646 -2.574 1.00 0.00 N ATOM 0 H LYS A 92 9.389 -13.976 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 92 8.233 -15.594 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.967 -17.033 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.803 -16.864 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.809 -17.762 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.931 -17.885 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.657 -19.475 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.558 -19.339 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.978 -20.562 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.639 -20.068 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.221 -22.387 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.510 -21.475 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.808 -21.954 -2.569 1.00 0.00 H new ATOM 1418 N GLU A 93 11.368 -14.551 -2.110 1.00 0.00 N ATOM 1419 CA GLU A 93 12.333 -13.697 -1.371 1.00 0.00 C ATOM 1420 C GLU A 93 11.819 -12.257 -1.330 1.00 0.00 C ATOM 1421 O GLU A 93 11.953 -11.569 -0.338 1.00 0.00 O ATOM 1422 CB GLU A 93 13.690 -13.734 -2.077 1.00 0.00 C ATOM 1423 CG GLU A 93 14.096 -15.187 -2.331 1.00 0.00 C ATOM 1424 CD GLU A 93 15.595 -15.255 -2.625 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.992 -14.795 -3.683 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.321 -15.765 -1.788 1.00 0.00 O ATOM 0 H GLU A 93 11.767 -15.092 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 93 12.441 -14.071 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.636 -13.191 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.443 -13.237 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.857 -15.800 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.531 -15.592 -3.171 1.00 0.00 H new ATOM 1433 N ASN A 94 11.236 -11.792 -2.402 1.00 0.00 N ATOM 1434 CA ASN A 94 10.722 -10.396 -2.427 1.00 0.00 C ATOM 1435 C ASN A 94 9.516 -10.267 -1.492 1.00 0.00 C ATOM 1436 O ASN A 94 9.266 -9.218 -0.933 1.00 0.00 O ATOM 1437 CB ASN A 94 10.306 -10.040 -3.852 1.00 0.00 C ATOM 1438 CG ASN A 94 11.555 -9.814 -4.706 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.520 -8.940 -5.673 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 12.574 -10.441 -4.490 1.00 0.00 N flip ATOM 0 H ASN A 94 11.094 -12.321 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 94 11.505 -9.716 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.702 -10.842 -4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.688 -9.142 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.601 -11.125 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.401 -10.283 -5.065 1.00 0.00 H new ATOM 1447 N ILE A 95 8.768 -11.321 -1.312 1.00 0.00 N ATOM 1448 CA ILE A 95 7.588 -11.238 -0.405 1.00 0.00 C ATOM 1449 C ILE A 95 8.080 -11.057 1.031 1.00 0.00 C ATOM 1450 O ILE A 95 7.737 -10.103 1.700 1.00 0.00 O ATOM 1451 CB ILE A 95 6.759 -12.524 -0.506 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.759 -12.390 -1.659 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.998 -12.757 0.805 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.109 -13.747 -1.932 1.00 0.00 C ATOM 0 H ILE A 95 8.921 -12.229 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 95 6.964 -10.392 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 95 7.423 -13.369 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.996 -11.653 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.266 -12.031 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.411 -13.672 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.708 -12.850 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.333 -11.914 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.398 -13.651 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.878 -14.471 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.587 -14.087 -1.037 1.00 0.00 H new ATOM 1466 N ILE A 96 8.886 -11.965 1.506 1.00 0.00 N ATOM 1467 CA ILE A 96 9.402 -11.841 2.896 1.00 0.00 C ATOM 1468 C ILE A 96 10.263 -10.584 3.002 1.00 0.00 C ATOM 1469 O ILE A 96 10.511 -10.083 4.079 1.00 0.00 O ATOM 1470 CB ILE A 96 10.247 -13.069 3.246 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.789 -14.264 2.404 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.079 -13.396 4.731 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.193 -15.566 3.101 1.00 0.00 C ATOM 0 H ILE A 96 9.209 -12.785 0.993 1.00 0.00 H new ATOM 0 HA ILE A 96 8.564 -11.773 3.590 1.00 0.00 H new ATOM 0 HB ILE A 96 11.296 -12.860 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.708 -14.233 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.237 -14.216 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.680 -14.270 4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.407 -12.546 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.030 -13.605 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.867 -16.416 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.277 -15.597 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.723 -15.614 4.084 1.00 0.00 H new ATOM 1485 N ALA A 97 10.721 -10.068 1.893 1.00 0.00 N ATOM 1486 CA ALA A 97 11.565 -8.841 1.940 1.00 0.00 C ATOM 1487 C ALA A 97 10.777 -7.710 2.594 1.00 0.00 C ATOM 1488 O ALA A 97 11.163 -7.185 3.617 1.00 0.00 O ATOM 1489 CB ALA A 97 11.970 -8.435 0.522 1.00 0.00 C ATOM 0 H ALA A 97 10.548 -10.442 0.960 1.00 0.00 H new ATOM 0 HA ALA A 97 12.464 -9.042 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.587 -7.537 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.536 -9.244 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.076 -8.234 -0.068 1.00 0.00 H new ATOM 1495 N ALA A 98 9.671 -7.331 2.022 1.00 0.00 N ATOM 1496 CA ALA A 98 8.873 -6.237 2.639 1.00 0.00 C ATOM 1497 C ALA A 98 8.590 -6.599 4.085 1.00 0.00 C ATOM 1498 O ALA A 98 8.860 -5.842 4.997 1.00 0.00 O ATOM 1499 CB ALA A 98 7.535 -6.069 1.923 1.00 0.00 C ATOM 0 H ALA A 98 9.287 -7.726 1.163 1.00 0.00 H new ATOM 0 HA ALA A 98 9.439 -5.309 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.970 -5.264 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.711 -5.826 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.967 -6.997 1.990 1.00 0.00 H new ATOM 1505 N ALA A 99 8.028 -7.750 4.298 1.00 0.00 N ATOM 1506 CA ALA A 99 7.704 -8.162 5.675 1.00 0.00 C ATOM 1507 C ALA A 99 8.986 -8.218 6.512 1.00 0.00 C ATOM 1508 O ALA A 99 8.950 -8.072 7.716 1.00 0.00 O ATOM 1509 CB ALA A 99 7.044 -9.539 5.661 1.00 0.00 C ATOM 0 H ALA A 99 7.780 -8.422 3.572 1.00 0.00 H new ATOM 0 HA ALA A 99 7.017 -7.437 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.806 -9.839 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.128 -9.497 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.726 -10.265 5.219 1.00 0.00 H new ATOM 1515 N GLN A 100 10.128 -8.414 5.894 1.00 0.00 N ATOM 1516 CA GLN A 100 11.384 -8.443 6.698 1.00 0.00 C ATOM 1517 C GLN A 100 11.398 -7.161 7.511 1.00 0.00 C ATOM 1518 O GLN A 100 11.874 -7.108 8.628 1.00 0.00 O ATOM 1519 CB GLN A 100 12.614 -8.488 5.786 1.00 0.00 C ATOM 1520 CG GLN A 100 13.856 -8.793 6.625 1.00 0.00 C ATOM 1521 CD GLN A 100 13.887 -10.282 6.976 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.877 -11.039 6.647 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 14.842 -10.761 7.557 1.00 0.00 N flip ATOM 0 H GLN A 100 10.241 -8.552 4.890 1.00 0.00 H new ATOM 0 HA GLN A 100 11.416 -9.328 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.484 -9.251 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.734 -7.535 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.756 -8.521 6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.847 -8.195 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.632 -10.169 7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.853 -11.755 7.787 1.00 0.00 H new ATOM 1532 N ALA A 101 10.819 -6.136 6.955 1.00 0.00 N ATOM 1533 CA ALA A 101 10.717 -4.844 7.670 1.00 0.00 C ATOM 1534 C ALA A 101 9.411 -4.902 8.458 1.00 0.00 C ATOM 1535 O ALA A 101 9.224 -4.235 9.456 1.00 0.00 O ATOM 1536 CB ALA A 101 10.679 -3.702 6.653 1.00 0.00 C ATOM 0 H ALA A 101 10.407 -6.143 6.022 1.00 0.00 H new ATOM 0 HA ALA A 101 11.566 -4.672 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.604 -2.750 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.591 -3.716 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.815 -3.825 6.000 1.00 0.00 H new ATOM 1542 N GLY A 102 8.525 -5.755 8.012 1.00 0.00 N ATOM 1543 CA GLY A 102 7.229 -5.959 8.702 1.00 0.00 C ATOM 1544 C GLY A 102 6.350 -4.725 8.624 1.00 0.00 C ATOM 1545 O GLY A 102 6.219 -4.003 9.592 1.00 0.00 O ATOM 0 H GLY A 102 8.655 -6.329 7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.708 -6.805 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.409 -6.212 9.747 1.00 0.00 H new ATOM 1549 N ALA A 103 5.718 -4.461 7.506 1.00 0.00 N ATOM 1550 CA ALA A 103 4.852 -3.258 7.488 1.00 0.00 C ATOM 1551 C ALA A 103 3.446 -3.630 7.924 1.00 0.00 C ATOM 1552 O ALA A 103 3.198 -4.033 9.043 1.00 0.00 O ATOM 1553 CB ALA A 103 4.747 -2.780 6.047 1.00 0.00 C ATOM 0 H ALA A 103 5.763 -5.004 6.644 1.00 0.00 H new ATOM 0 HA ALA A 103 5.272 -2.500 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.114 -1.894 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.741 -2.535 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.311 -3.568 5.433 1.00 0.00 H new ATOM 1559 N SER A 104 2.544 -3.558 7.003 1.00 0.00 N ATOM 1560 CA SER A 104 1.140 -3.970 7.272 1.00 0.00 C ATOM 1561 C SER A 104 0.989 -5.439 6.908 1.00 0.00 C ATOM 1562 O SER A 104 0.473 -6.251 7.650 1.00 0.00 O ATOM 1563 CB SER A 104 0.171 -3.135 6.445 1.00 0.00 C ATOM 1564 OG SER A 104 0.065 -3.704 5.155 1.00 0.00 O ATOM 0 H SER A 104 2.717 -3.225 6.054 1.00 0.00 H new ATOM 0 HA SER A 104 0.912 -3.816 8.327 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.807 -3.105 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.524 -2.106 6.376 1.00 0.00 H new ATOM 0 HG SER A 104 0.871 -3.495 4.638 1.00 0.00 H new ATOM 1570 N GLY A 105 1.425 -5.748 5.715 1.00 0.00 N ATOM 1571 CA GLY A 105 1.320 -7.132 5.174 1.00 0.00 C ATOM 1572 C GLY A 105 1.581 -7.090 3.664 1.00 0.00 C ATOM 1573 O GLY A 105 2.051 -6.096 3.146 1.00 0.00 O ATOM 0 H GLY A 105 1.860 -5.080 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.042 -7.785 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.330 -7.542 5.375 1.00 0.00 H new ATOM 1577 N TYR A 106 1.276 -8.147 2.954 1.00 0.00 N ATOM 1578 CA TYR A 106 1.503 -8.143 1.476 1.00 0.00 C ATOM 1579 C TYR A 106 0.339 -8.818 0.770 1.00 0.00 C ATOM 1580 O TYR A 106 -0.280 -9.725 1.291 1.00 0.00 O ATOM 1581 CB TYR A 106 2.798 -8.887 1.126 1.00 0.00 C ATOM 1582 CG TYR A 106 2.502 -10.004 0.139 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.424 -9.741 -1.241 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.312 -11.312 0.605 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.158 -10.784 -2.137 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.046 -12.349 -0.294 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.969 -12.086 -1.663 1.00 0.00 C ATOM 1588 OH TYR A 106 1.711 -13.116 -2.544 1.00 0.00 O ATOM 0 H TYR A 106 0.882 -9.009 3.331 1.00 0.00 H new ATOM 0 HA TYR A 106 1.585 -7.107 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.522 -8.194 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.247 -9.298 2.030 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.569 -8.736 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.371 -11.520 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.099 -10.582 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.900 -13.355 0.071 1.00 0.00 H new ATOM 0 HH TYR A 106 1.607 -13.954 -2.046 1.00 0.00 H new ATOM 1598 N VAL A 107 0.045 -8.380 -0.419 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.080 -8.982 -1.185 1.00 0.00 C ATOM 1600 C VAL A 107 -0.679 -9.078 -2.657 1.00 0.00 C ATOM 1601 O VAL A 107 -0.261 -8.112 -3.262 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.320 -8.100 -1.029 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.032 -6.716 -1.609 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.507 -8.726 -1.768 1.00 0.00 C ATOM 0 H VAL A 107 0.538 -7.626 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.306 -9.980 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.566 -8.013 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.914 -6.085 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.195 -6.265 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.782 -6.809 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.385 -8.090 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.267 -8.822 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.715 -9.712 -1.353 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.787 -10.241 -3.235 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.393 -10.391 -4.660 1.00 0.00 C ATOM 1616 C VAL A 108 -1.460 -9.766 -5.570 1.00 0.00 C ATOM 1617 O VAL A 108 -2.543 -10.291 -5.723 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.251 -11.875 -5.001 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.591 -12.580 -4.785 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.170 -12.022 -6.465 1.00 0.00 C ATOM 0 H VAL A 108 -1.129 -11.089 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 108 0.559 -9.884 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 108 0.504 -12.325 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.489 -13.638 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.894 -12.475 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.347 -12.131 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.272 -13.079 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.586 -11.572 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.125 -11.520 -6.621 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.154 -8.654 -6.183 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.141 -7.998 -7.093 1.00 0.00 C ATOM 1632 C LYS A 109 -2.044 -8.668 -8.479 1.00 0.00 C ATOM 1633 O LYS A 109 -1.062 -9.327 -8.752 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.793 -6.497 -7.170 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.134 -6.141 -8.514 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.666 -4.680 -8.472 1.00 0.00 C ATOM 1637 CE LYS A 109 0.859 -4.611 -8.600 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.253 -4.952 -9.995 1.00 0.00 N ATOM 0 H LYS A 109 -0.261 -8.169 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.162 -8.105 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.699 -5.905 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.121 -6.236 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.288 -6.802 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.842 -6.286 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.132 -4.117 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.982 -4.216 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.212 -3.612 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.326 -5.303 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.227 -5.318 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.609 -5.677 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.199 -4.100 -10.589 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.032 -8.479 -9.339 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.259 -7.687 -9.070 1.00 0.00 C ATOM 1654 C PRO A 110 -5.184 -8.428 -8.102 1.00 0.00 C ATOM 1655 O PRO A 110 -5.555 -9.562 -8.329 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.956 -7.577 -10.434 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.100 -8.351 -11.467 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.961 -9.038 -10.700 1.00 0.00 C ATOM 0 HA PRO A 110 -4.022 -6.721 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.962 -7.993 -10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.057 -6.532 -10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.707 -9.088 -11.993 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.700 -7.672 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.088 -10.121 -10.690 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.995 -8.834 -11.161 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.563 -7.792 -7.028 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.469 -8.459 -6.053 1.00 0.00 C ATOM 1668 C PHE A 111 -7.903 -8.050 -6.323 1.00 0.00 C ATOM 1669 O PHE A 111 -8.180 -6.979 -6.823 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.132 -8.021 -4.628 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.691 -6.581 -4.640 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.639 -5.550 -4.716 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.332 -6.277 -4.605 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.212 -4.218 -4.761 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -3.907 -4.947 -4.640 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.847 -3.915 -4.722 1.00 0.00 C ATOM 0 H PHE A 111 -5.285 -6.841 -6.784 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.343 -9.536 -6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.002 -8.141 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.343 -8.651 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.693 -5.783 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.604 -7.073 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.939 -3.422 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.853 -4.716 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.520 -2.886 -4.755 1.00 0.00 H new ATOM 1686 N THR A 112 -8.818 -8.877 -5.936 1.00 0.00 N ATOM 1687 CA THR A 112 -10.243 -8.524 -6.100 1.00 0.00 C ATOM 1688 C THR A 112 -10.651 -7.801 -4.823 1.00 0.00 C ATOM 1689 O THR A 112 -10.070 -8.022 -3.777 1.00 0.00 O ATOM 1690 CB THR A 112 -11.084 -9.791 -6.278 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.305 -10.786 -6.929 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.319 -9.472 -7.123 1.00 0.00 C ATOM 0 H THR A 112 -8.640 -9.787 -5.511 1.00 0.00 H new ATOM 0 HA THR A 112 -10.399 -7.899 -6.980 1.00 0.00 H new ATOM 0 HB THR A 112 -11.401 -10.158 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.841 -11.599 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.917 -10.375 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.915 -8.709 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.006 -9.105 -8.100 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.607 -6.926 -4.883 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.995 -6.197 -3.648 1.00 0.00 C ATOM 1702 C ALA A 113 -12.160 -7.189 -2.505 1.00 0.00 C ATOM 1703 O ALA A 113 -11.898 -6.875 -1.365 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.306 -5.442 -3.877 1.00 0.00 C ATOM 0 H ALA A 113 -12.133 -6.684 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.216 -5.479 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.583 -4.910 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.177 -4.727 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.093 -6.150 -4.138 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.572 -8.389 -2.794 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.728 -9.386 -1.703 1.00 0.00 C ATOM 1712 C ALA A 114 -11.356 -9.698 -1.114 1.00 0.00 C ATOM 1713 O ALA A 114 -11.214 -9.897 0.076 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.360 -10.665 -2.254 1.00 0.00 C ATOM 0 H ALA A 114 -12.806 -8.721 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.376 -8.980 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.472 -11.392 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.339 -10.435 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.720 -11.081 -3.032 1.00 0.00 H new ATOM 1720 N THR A 115 -10.336 -9.730 -1.927 1.00 0.00 N ATOM 1721 CA THR A 115 -8.982 -10.010 -1.383 1.00 0.00 C ATOM 1722 C THR A 115 -8.535 -8.803 -0.563 1.00 0.00 C ATOM 1723 O THR A 115 -8.404 -8.887 0.642 1.00 0.00 O ATOM 1724 CB THR A 115 -7.995 -10.265 -2.519 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.572 -9.846 -3.742 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.671 -11.757 -2.590 1.00 0.00 C ATOM 0 H THR A 115 -10.382 -9.576 -2.934 1.00 0.00 H new ATOM 0 HA THR A 115 -9.013 -10.900 -0.755 1.00 0.00 H new ATOM 0 HB THR A 115 -7.077 -9.706 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.839 -8.906 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.966 -11.938 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.229 -12.079 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.586 -12.320 -2.772 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.308 -7.667 -1.182 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.890 -6.493 -0.373 1.00 0.00 C ATOM 1736 C LEU A 116 -8.861 -6.306 0.801 1.00 0.00 C ATOM 1737 O LEU A 116 -8.465 -5.919 1.882 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.894 -5.242 -1.244 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.711 -4.349 -0.855 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.402 -4.953 -1.376 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.902 -2.956 -1.457 1.00 0.00 C ATOM 0 H LEU A 116 -8.393 -7.510 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.884 -6.660 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.826 -5.518 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.831 -4.700 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.664 -4.276 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.568 -4.311 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.260 -5.943 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.446 -5.035 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.060 -2.321 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.956 -3.033 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.826 -2.519 -1.078 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.130 -6.575 0.607 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.095 -6.400 1.726 1.00 0.00 C ATOM 1755 C GLU A 117 -10.862 -7.479 2.783 1.00 0.00 C ATOM 1756 O GLU A 117 -10.436 -7.197 3.886 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.532 -6.504 1.210 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.505 -6.347 2.379 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.138 -7.702 2.703 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.560 -8.429 3.493 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.189 -7.988 2.155 1.00 0.00 O ATOM 0 H GLU A 117 -10.532 -6.905 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.942 -5.414 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.718 -5.733 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.686 -7.466 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.981 -5.961 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.280 -5.623 2.126 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.147 -8.710 2.451 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.953 -9.825 3.425 1.00 0.00 C ATOM 1770 C GLU A 118 -9.620 -9.638 4.152 1.00 0.00 C ATOM 1771 O GLU A 118 -9.458 -10.039 5.287 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.942 -11.160 2.676 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.028 -12.313 3.677 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.213 -13.500 3.160 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.733 -14.236 2.336 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -9.085 -13.654 3.596 1.00 0.00 O ATOM 0 H GLU A 118 -11.509 -8.993 1.540 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.767 -9.822 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.781 -11.205 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.032 -11.248 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.650 -11.994 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.068 -12.607 3.821 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.671 -9.023 3.506 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.353 -8.795 4.156 1.00 0.00 C ATOM 1785 C LYS A 119 -7.467 -7.608 5.109 1.00 0.00 C ATOM 1786 O LYS A 119 -6.973 -7.635 6.219 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.310 -8.478 3.086 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.919 -8.864 3.597 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.857 -8.027 2.881 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.594 -8.866 2.688 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.883 -9.983 1.744 1.00 0.00 N ATOM 0 H LYS A 119 -8.752 -8.668 2.553 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.055 -9.687 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.536 -9.023 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.337 -7.416 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.859 -8.703 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.738 -9.925 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.234 -7.690 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.628 -7.134 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.787 -8.245 2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.257 -9.262 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.022 -10.218 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.197 -10.818 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.632 -9.694 1.083 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.113 -6.562 4.676 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.261 -5.362 5.544 1.00 0.00 C ATOM 1807 C LEU A 120 -8.939 -5.749 6.857 1.00 0.00 C ATOM 1808 O LEU A 120 -8.349 -5.665 7.908 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.115 -4.310 4.828 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.465 -2.931 4.985 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.149 -2.881 4.204 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.412 -1.853 4.453 1.00 0.00 C ATOM 0 H LEU A 120 -8.546 -6.487 3.756 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.273 -4.953 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.210 -4.561 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.122 -4.299 5.245 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.263 -2.752 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.694 -1.898 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.470 -3.643 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.345 -3.067 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -8.948 -0.873 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.618 -2.038 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.345 -1.879 5.015 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.179 -6.153 6.800 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.917 -6.528 8.044 1.00 0.00 C ATOM 1826 C ASN A 121 -10.017 -7.308 9.008 1.00 0.00 C ATOM 1827 O ASN A 121 -9.905 -6.977 10.172 1.00 0.00 O ATOM 1828 CB ASN A 121 -12.123 -7.395 7.671 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.355 -6.929 8.448 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.240 -6.410 9.541 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.539 -7.094 7.926 1.00 0.00 N ATOM 0 H ASN A 121 -10.718 -6.241 5.939 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.243 -5.614 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.312 -7.330 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.914 -8.441 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -15.368 -6.787 8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.636 -7.530 7.009 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.390 -8.347 8.542 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.513 -9.159 9.437 1.00 0.00 C ATOM 1840 C LYS A 122 -7.377 -8.299 10.002 1.00 0.00 C ATOM 1841 O LYS A 122 -6.870 -8.556 11.076 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.919 -10.327 8.647 1.00 0.00 C ATOM 1843 CG LYS A 122 -8.865 -11.527 8.720 1.00 0.00 C ATOM 1844 CD LYS A 122 -8.581 -12.326 9.995 1.00 0.00 C ATOM 1845 CE LYS A 122 -9.866 -13.011 10.463 1.00 0.00 C ATOM 1846 NZ LYS A 122 -10.492 -13.730 9.319 1.00 0.00 N ATOM 0 H LYS A 122 -9.444 -8.674 7.577 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.113 -9.537 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.764 -10.036 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.943 -10.595 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -9.901 -11.188 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.733 -12.162 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.807 -13.070 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.204 -11.665 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.645 -13.711 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.559 -12.272 10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.147 -14.453 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.015 -13.053 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -9.752 -14.187 8.749 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.962 -7.290 9.287 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.847 -6.431 9.787 1.00 0.00 C ATOM 1862 C ILE A 123 -6.399 -5.271 10.619 1.00 0.00 C ATOM 1863 O ILE A 123 -5.816 -4.871 11.606 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.075 -5.862 8.596 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.136 -6.933 8.034 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.254 -4.654 9.053 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.589 -6.476 6.679 1.00 0.00 C ATOM 0 H ILE A 123 -7.344 -7.022 8.380 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.189 -7.037 10.410 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.778 -5.554 7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.314 -7.111 8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.670 -7.877 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.703 -4.247 8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.922 -3.890 9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.552 -4.963 9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.921 -7.239 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.416 -6.320 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.040 -5.543 6.804 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.502 -4.712 10.212 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.077 -3.561 10.957 1.00 0.00 C ATOM 1881 C PHE A 124 -8.769 -4.036 12.232 1.00 0.00 C ATOM 1882 O PHE A 124 -8.627 -3.434 13.277 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.078 -2.835 10.063 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.342 -1.777 9.281 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.328 -2.150 8.390 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.662 -0.426 9.452 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.637 -1.171 7.668 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.972 0.551 8.729 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.961 0.180 7.837 1.00 0.00 C ATOM 0 H PHE A 124 -8.032 -5.004 9.391 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.272 -2.882 11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.561 -3.539 9.386 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.865 -2.382 10.666 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.080 -3.193 8.260 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.441 -0.138 10.142 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.854 -1.457 6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.220 1.594 8.859 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.430 0.936 7.278 1.00 0.00 H new ATOM 1899 N GLU A 125 -9.512 -5.104 12.171 1.00 0.00 N ATOM 1900 CA GLU A 125 -10.187 -5.590 13.397 1.00 0.00 C ATOM 1901 C GLU A 125 -9.148 -5.678 14.510 1.00 0.00 C ATOM 1902 O GLU A 125 -9.462 -5.619 15.681 1.00 0.00 O ATOM 1903 CB GLU A 125 -10.795 -6.965 13.133 1.00 0.00 C ATOM 1904 CG GLU A 125 -12.028 -6.816 12.238 1.00 0.00 C ATOM 1905 CD GLU A 125 -13.156 -6.148 13.026 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -13.502 -6.663 14.077 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -13.656 -5.135 12.566 1.00 0.00 O ATOM 0 H GLU A 125 -9.678 -5.656 11.330 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.986 -4.908 13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.061 -7.613 12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -11.072 -7.439 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.782 -6.220 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -12.350 -7.794 11.880 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.903 -5.793 14.141 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.825 -5.853 15.161 1.00 0.00 C ATOM 1916 C LYS A 126 -6.314 -4.431 15.391 1.00 0.00 C ATOM 1917 O LYS A 126 -5.800 -4.104 16.443 1.00 0.00 O ATOM 1918 CB LYS A 126 -5.689 -6.745 14.657 1.00 0.00 C ATOM 1919 CG LYS A 126 -6.230 -8.154 14.396 1.00 0.00 C ATOM 1920 CD LYS A 126 -5.091 -9.171 14.493 1.00 0.00 C ATOM 1921 CE LYS A 126 -5.644 -10.579 14.262 1.00 0.00 C ATOM 1922 NZ LYS A 126 -6.382 -10.617 12.968 1.00 0.00 N ATOM 0 H LYS A 126 -7.587 -5.848 13.173 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.203 -6.271 16.094 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.264 -6.331 13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.886 -6.782 15.393 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -7.008 -8.395 15.120 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.689 -8.201 13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -4.323 -8.944 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.618 -9.111 15.473 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.830 -11.304 14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -6.308 -10.859 15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -6.179 -11.512 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -7.404 -10.546 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -6.079 -9.820 12.372 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.470 -3.576 14.412 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.014 -2.167 14.570 1.00 0.00 C ATOM 1938 C LEU A 127 -6.979 -1.437 15.506 1.00 0.00 C ATOM 1939 O LEU A 127 -6.614 -0.484 16.164 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.998 -1.463 13.206 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.256 -0.132 13.330 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.824 -0.296 12.817 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.975 0.932 12.497 1.00 0.00 C ATOM 0 H LEU A 127 -6.894 -3.796 13.511 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.007 -2.156 14.986 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.511 -2.096 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.018 -1.293 12.860 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.235 0.176 14.375 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.295 0.653 12.905 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.310 -1.054 13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.845 -0.604 11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.447 1.881 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.995 0.623 11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.996 1.050 12.860 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.209 -1.883 15.576 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.192 -1.221 16.469 1.00 0.00 C ATOM 1957 C GLY A 128 -10.574 -1.233 15.814 1.00 0.00 C ATOM 1958 O GLY A 128 -11.572 -1.495 16.454 1.00 0.00 O ATOM 0 H GLY A 128 -8.569 -2.679 15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.230 -1.736 17.429 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.883 -0.195 16.669 1.00 0.00 H new ATOM 1962 N MET A 129 -10.640 -0.951 14.543 1.00 0.00 N ATOM 1963 CA MET A 129 -11.956 -0.946 13.852 1.00 0.00 C ATOM 1964 C MET A 129 -12.245 -2.342 13.297 1.00 0.00 C ATOM 1965 O MET A 129 -11.552 -2.748 12.378 1.00 0.00 O ATOM 1966 CB MET A 129 -11.933 0.065 12.701 1.00 0.00 C ATOM 1967 CG MET A 129 -10.720 0.992 12.838 1.00 0.00 C ATOM 1968 SD MET A 129 -10.744 1.793 14.462 1.00 0.00 S ATOM 1969 CE MET A 129 -12.272 2.736 14.236 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.153 -2.982 13.801 1.00 0.00 O ATOM 0 H MET A 129 -9.839 -0.724 13.954 1.00 0.00 H new ATOM 0 HA MET A 129 -12.734 -0.666 14.562 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.893 -0.460 11.746 1.00 0.00 H new ATOM 0 HB3 MET A 129 -12.851 0.652 12.704 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.799 0.422 12.717 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.735 1.745 12.050 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.268 3.600 14.900 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.342 3.073 13.202 1.00 0.00 H new ATOM 0 HE3 MET A 129 -13.128 2.103 14.470 1.00 0.00 H new TER 1980 MET A 129