USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 29 GLN : amide:sc= 0.795 K(o=0.8,f=-0.39) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= 1.22 (180deg=1.11) USER MOD Single : A 32 CYS SG : rot -150:sc= -5.07! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.695 K(o=0.69,f=-3.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 44 SER OG : rot -30:sc= 0.649 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= 1.2 (180deg=0.366) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0572 X(o=-0.057,f=-0.35) USER MOD Single : A 68 GLN : amide:sc= -0.357 K(o=-0.36,f=-3.3!) USER MOD Single : A 71 MET CE :methyl -173:sc= 0 (180deg=-0.0874) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00518) USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= 0.998 (180deg=-0.682!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.310 3.208 -1.730 1.00 0.00 N ATOM 20 CA ASP A 23 -12.206 1.844 -2.193 1.00 0.00 C ATOM 21 C ASP A 23 -10.725 1.533 -2.378 1.00 0.00 C ATOM 22 O ASP A 23 -10.098 1.863 -3.385 1.00 0.00 O ATOM 23 CB ASP A 23 -13.007 1.714 -3.499 1.00 0.00 C ATOM 24 CG ASP A 23 -14.462 2.162 -3.336 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.643 3.304 -2.845 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.349 1.360 -3.687 1.00 0.00 O ATOM 0 HA ASP A 23 -12.619 1.128 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.530 2.312 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.984 0.677 -3.835 1.00 0.00 H new ATOM 31 N ALA A 24 -10.167 0.900 -1.350 1.00 0.00 N ATOM 32 CA ALA A 24 -8.744 0.698 -1.195 1.00 0.00 C ATOM 33 C ALA A 24 -8.110 0.057 -2.417 1.00 0.00 C ATOM 34 O ALA A 24 -7.042 0.476 -2.859 1.00 0.00 O ATOM 35 CB ALA A 24 -8.528 -0.200 0.003 1.00 0.00 C ATOM 0 H ALA A 24 -10.714 0.505 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.273 1.672 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.460 -0.369 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.940 0.275 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.028 -1.154 -0.163 1.00 0.00 H new ATOM 41 N GLU A 25 -8.763 -0.973 -2.958 1.00 0.00 N ATOM 42 CA GLU A 25 -8.235 -1.630 -4.132 1.00 0.00 C ATOM 43 C GLU A 25 -8.099 -0.621 -5.266 1.00 0.00 C ATOM 44 O GLU A 25 -7.070 -0.612 -5.926 1.00 0.00 O ATOM 45 CB GLU A 25 -9.029 -2.895 -4.487 1.00 0.00 C ATOM 46 CG GLU A 25 -9.973 -2.754 -5.682 1.00 0.00 C ATOM 47 CD GLU A 25 -10.719 -4.055 -5.959 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.494 -5.018 -5.191 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.501 -4.056 -6.932 1.00 0.00 O ATOM 0 H GLU A 25 -9.639 -1.357 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.231 -2.000 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.325 -3.701 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.612 -3.196 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.690 -1.956 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.404 -2.464 -6.565 1.00 0.00 H new ATOM 56 N ALA A 26 -9.086 0.262 -5.458 1.00 0.00 N ATOM 57 CA ALA A 26 -9.033 1.277 -6.500 1.00 0.00 C ATOM 58 C ALA A 26 -7.857 2.210 -6.254 1.00 0.00 C ATOM 59 O ALA A 26 -7.107 2.491 -7.184 1.00 0.00 O ATOM 60 CB ALA A 26 -10.344 2.062 -6.585 1.00 0.00 C ATOM 0 H ALA A 26 -9.936 0.288 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.893 0.777 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.269 2.811 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.163 1.379 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.535 2.556 -5.632 1.00 0.00 H new ATOM 66 N VAL A 27 -7.669 2.664 -5.006 1.00 0.00 N ATOM 67 CA VAL A 27 -6.465 3.407 -4.644 1.00 0.00 C ATOM 68 C VAL A 27 -5.263 2.609 -5.133 1.00 0.00 C ATOM 69 O VAL A 27 -4.522 3.096 -5.979 1.00 0.00 O ATOM 70 CB VAL A 27 -6.385 3.716 -3.133 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.128 4.533 -2.796 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.612 4.508 -2.669 1.00 0.00 C ATOM 0 H VAL A 27 -8.331 2.529 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.484 4.385 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.346 2.757 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.101 4.734 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.240 3.969 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.150 5.476 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.531 4.712 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.665 5.449 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.514 3.926 -2.859 1.00 0.00 H new ATOM 82 N VAL A 28 -5.046 1.376 -4.676 1.00 0.00 N ATOM 83 CA VAL A 28 -3.772 0.760 -4.978 1.00 0.00 C ATOM 84 C VAL A 28 -3.601 0.519 -6.480 1.00 0.00 C ATOM 85 O VAL A 28 -2.574 0.898 -7.051 1.00 0.00 O ATOM 86 CB VAL A 28 -3.595 -0.415 -4.024 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.315 -1.223 -4.239 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.637 0.152 -2.587 1.00 0.00 C ATOM 0 H VAL A 28 -5.699 0.817 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.922 1.415 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.401 -1.123 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.273 -2.038 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.309 -1.633 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.449 -0.575 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.513 -0.661 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.832 0.875 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.596 0.642 -2.417 1.00 0.00 H new ATOM 98 N GLN A 29 -4.664 0.030 -7.115 1.00 0.00 N ATOM 99 CA GLN A 29 -4.821 -0.172 -8.547 1.00 0.00 C ATOM 100 C GLN A 29 -4.783 1.127 -9.371 1.00 0.00 C ATOM 101 O GLN A 29 -4.888 1.050 -10.593 1.00 0.00 O ATOM 102 CB GLN A 29 -6.098 -1.004 -8.792 1.00 0.00 C ATOM 103 CG GLN A 29 -5.937 -2.453 -8.300 1.00 0.00 C ATOM 104 CD GLN A 29 -4.813 -3.181 -9.038 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.712 -3.102 -10.258 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.935 -3.864 -8.309 1.00 0.00 N ATOM 0 H GLN A 29 -5.497 -0.255 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.955 -0.726 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.940 -0.538 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.333 -1.005 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.729 -2.453 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.874 -2.992 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.042 -3.914 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.154 -4.338 -8.763 1.00 0.00 H new ATOM 115 N GLN A 30 -4.602 2.305 -8.757 1.00 0.00 N ATOM 116 CA GLN A 30 -4.395 3.551 -9.499 1.00 0.00 C ATOM 117 C GLN A 30 -3.314 4.484 -8.924 1.00 0.00 C ATOM 118 O GLN A 30 -2.933 5.442 -9.593 1.00 0.00 O ATOM 119 CB GLN A 30 -5.743 4.274 -9.666 1.00 0.00 C ATOM 120 CG GLN A 30 -6.072 4.452 -11.153 1.00 0.00 C ATOM 121 CD GLN A 30 -7.453 5.064 -11.352 1.00 0.00 C ATOM 122 OE1 GLN A 30 -8.357 4.426 -11.879 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.631 6.314 -10.936 1.00 0.00 N ATOM 0 H GLN A 30 -4.595 2.418 -7.743 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.997 3.266 -10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.533 3.703 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.704 5.247 -9.176 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.320 5.089 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.026 3.485 -11.655 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.861 6.821 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.538 6.766 -11.052 1.00 0.00 H new ATOM 132 N LYS A 31 -2.828 4.242 -7.704 1.00 0.00 N ATOM 133 CA LYS A 31 -1.945 5.134 -6.959 1.00 0.00 C ATOM 134 C LYS A 31 -0.694 4.411 -6.448 1.00 0.00 C ATOM 135 O LYS A 31 0.291 5.082 -6.143 1.00 0.00 O ATOM 136 CB LYS A 31 -2.733 5.773 -5.797 1.00 0.00 C ATOM 137 CG LYS A 31 -3.260 7.180 -6.113 1.00 0.00 C ATOM 138 CD LYS A 31 -2.365 8.185 -5.389 1.00 0.00 C ATOM 139 CE LYS A 31 -2.796 9.638 -5.616 1.00 0.00 C ATOM 140 NZ LYS A 31 -1.964 10.572 -4.829 1.00 0.00 N ATOM 0 H LYS A 31 -3.048 3.388 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.595 5.916 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.574 5.128 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.091 5.824 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.247 7.361 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.294 7.284 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.377 7.970 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.337 8.059 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.718 9.882 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.843 9.757 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.561 11.335 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.518 10.060 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.227 10.979 -5.439 1.00 0.00 H new ATOM 154 N CYS A 32 -0.711 3.076 -6.339 1.00 0.00 N ATOM 155 CA CYS A 32 0.418 2.308 -5.817 1.00 0.00 C ATOM 156 C CYS A 32 1.072 1.482 -6.931 1.00 0.00 C ATOM 157 O CYS A 32 2.302 1.470 -7.061 1.00 0.00 O ATOM 158 CB CYS A 32 -0.048 1.418 -4.667 1.00 0.00 C ATOM 159 SG CYS A 32 -1.083 2.271 -3.423 1.00 0.00 S ATOM 0 H CYS A 32 -1.509 2.502 -6.611 1.00 0.00 H new ATOM 0 HA CYS A 32 1.171 2.997 -5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.611 0.580 -5.077 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.827 1.000 -4.169 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.911 1.715 -2.260 1.00 0.00 H new ATOM 164 N ILE A 33 0.247 0.837 -7.770 1.00 0.00 N ATOM 165 CA ILE A 33 0.717 0.071 -8.923 1.00 0.00 C ATOM 166 C ILE A 33 1.707 0.871 -9.773 1.00 0.00 C ATOM 167 O ILE A 33 2.587 0.283 -10.397 1.00 0.00 O ATOM 168 CB ILE A 33 -0.445 -0.437 -9.796 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.332 0.692 -10.354 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.273 -1.491 -9.053 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.109 0.239 -11.594 1.00 0.00 C ATOM 0 H ILE A 33 -0.767 0.835 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 33 1.237 -0.797 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 33 0.011 -0.910 -10.666 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.032 1.019 -9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.711 1.552 -10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.087 -1.832 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.637 -2.337 -8.793 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.686 -1.055 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.723 1.062 -11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.408 -0.064 -12.372 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.749 -0.604 -11.334 1.00 0.00 H new ATOM 183 N SER A 34 1.565 2.203 -9.773 1.00 0.00 N ATOM 184 CA SER A 34 2.459 3.155 -10.412 1.00 0.00 C ATOM 185 C SER A 34 3.929 2.738 -10.284 1.00 0.00 C ATOM 186 O SER A 34 4.658 2.817 -11.271 1.00 0.00 O ATOM 187 CB SER A 34 2.205 4.552 -9.823 1.00 0.00 C ATOM 188 OG SER A 34 2.982 5.540 -10.468 1.00 0.00 O ATOM 0 H SER A 34 0.783 2.659 -9.303 1.00 0.00 H new ATOM 0 HA SER A 34 2.248 3.176 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.148 4.801 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.436 4.545 -8.758 1.00 0.00 H new ATOM 0 HG SER A 34 2.794 6.415 -10.070 1.00 0.00 H new ATOM 194 N CYS A 35 4.351 2.282 -9.094 1.00 0.00 N ATOM 195 CA CYS A 35 5.702 1.766 -8.888 1.00 0.00 C ATOM 196 C CYS A 35 5.665 0.273 -8.565 1.00 0.00 C ATOM 197 O CYS A 35 6.489 -0.486 -9.069 1.00 0.00 O ATOM 198 CB CYS A 35 6.450 2.570 -7.815 1.00 0.00 C ATOM 199 SG CYS A 35 6.191 4.348 -8.103 1.00 0.00 S ATOM 0 H CYS A 35 3.767 2.263 -8.258 1.00 0.00 H new ATOM 0 HA CYS A 35 6.260 1.887 -9.817 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.092 2.295 -6.823 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.514 2.336 -7.846 1.00 0.00 H new ATOM 0 HG CYS A 35 6.822 5.031 -7.194 1.00 0.00 H new ATOM 204 N HIS A 36 4.721 -0.172 -7.732 1.00 0.00 N ATOM 205 CA HIS A 36 4.690 -1.557 -7.279 1.00 0.00 C ATOM 206 C HIS A 36 4.291 -2.554 -8.380 1.00 0.00 C ATOM 207 O HIS A 36 4.572 -3.747 -8.250 1.00 0.00 O ATOM 208 CB HIS A 36 3.822 -1.652 -6.021 1.00 0.00 C ATOM 209 CG HIS A 36 4.482 -1.041 -4.808 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.401 -1.676 -4.000 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.297 0.228 -4.316 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.743 -0.807 -3.034 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.111 0.369 -3.185 1.00 0.00 N ATOM 0 H HIS A 36 3.970 0.410 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 36 5.705 -1.859 -7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.871 -1.151 -6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.597 -2.699 -5.818 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.754 -2.626 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.642 0.982 -4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.438 -1.026 -2.237 1.00 0.00 H new ATOM 221 N GLY A 37 3.704 -2.084 -9.484 1.00 0.00 N ATOM 222 CA GLY A 37 3.279 -2.920 -10.600 1.00 0.00 C ATOM 223 C GLY A 37 1.856 -3.428 -10.377 1.00 0.00 C ATOM 224 O GLY A 37 1.426 -3.553 -9.235 1.00 0.00 O ATOM 0 H GLY A 37 3.509 -1.093 -9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.327 -2.350 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.960 -3.764 -10.709 1.00 0.00 H new ATOM 228 N GLY A 38 1.129 -3.711 -11.465 1.00 0.00 N ATOM 229 CA GLY A 38 -0.289 -4.075 -11.471 1.00 0.00 C ATOM 230 C GLY A 38 -0.687 -5.023 -10.337 1.00 0.00 C ATOM 231 O GLY A 38 -1.510 -4.685 -9.487 1.00 0.00 O ATOM 0 H GLY A 38 1.531 -3.691 -12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.888 -3.167 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.531 -4.543 -12.425 1.00 0.00 H new ATOM 235 N ASP A 39 -0.091 -6.215 -10.321 1.00 0.00 N ATOM 236 CA ASP A 39 -0.386 -7.266 -9.355 1.00 0.00 C ATOM 237 C ASP A 39 0.239 -6.991 -7.983 1.00 0.00 C ATOM 238 O ASP A 39 0.005 -7.746 -7.040 1.00 0.00 O ATOM 239 CB ASP A 39 0.118 -8.601 -9.919 1.00 0.00 C ATOM 240 CG ASP A 39 -0.453 -8.885 -11.300 1.00 0.00 C ATOM 241 OD1 ASP A 39 -0.007 -8.176 -12.232 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.326 -9.774 -11.391 1.00 0.00 O ATOM 0 H ASP A 39 0.626 -6.480 -10.996 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.464 -7.301 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.207 -8.585 -9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.156 -9.408 -9.240 1.00 0.00 H new ATOM 247 N LEU A 40 1.046 -5.928 -7.867 1.00 0.00 N ATOM 248 CA LEU A 40 1.719 -5.488 -6.648 1.00 0.00 C ATOM 249 C LEU A 40 2.822 -6.466 -6.245 1.00 0.00 C ATOM 250 O LEU A 40 3.262 -6.498 -5.092 1.00 0.00 O ATOM 251 CB LEU A 40 0.694 -5.178 -5.548 1.00 0.00 C ATOM 252 CG LEU A 40 -0.312 -4.121 -6.048 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.709 -4.385 -5.482 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.201 -2.722 -5.707 1.00 0.00 C ATOM 0 H LEU A 40 1.254 -5.325 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 40 2.237 -4.547 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.166 -6.089 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.204 -4.814 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.401 -4.189 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.400 -3.626 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.050 -5.370 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.674 -4.347 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.511 -1.977 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.316 -2.630 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.165 -2.560 -6.189 1.00 0.00 H new ATOM 266 N THR A 41 3.310 -7.208 -7.242 1.00 0.00 N ATOM 267 CA THR A 41 4.393 -8.167 -7.180 1.00 0.00 C ATOM 268 C THR A 41 5.759 -7.475 -7.192 1.00 0.00 C ATOM 269 O THR A 41 6.770 -8.147 -7.013 1.00 0.00 O ATOM 270 CB THR A 41 4.228 -9.085 -8.398 1.00 0.00 C ATOM 271 OG1 THR A 41 3.911 -8.287 -9.526 1.00 0.00 O ATOM 272 CG2 THR A 41 3.075 -10.067 -8.173 1.00 0.00 C ATOM 0 H THR A 41 2.921 -7.142 -8.183 1.00 0.00 H new ATOM 0 HA THR A 41 4.353 -8.735 -6.250 1.00 0.00 H new ATOM 0 HB THR A 41 5.154 -9.639 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.804 -8.861 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.970 -10.711 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.283 -10.677 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.149 -9.512 -8.019 1.00 0.00 H new ATOM 280 N GLY A 42 5.805 -6.152 -7.387 1.00 0.00 N ATOM 281 CA GLY A 42 7.001 -5.366 -7.157 1.00 0.00 C ATOM 282 C GLY A 42 7.769 -5.101 -8.447 1.00 0.00 C ATOM 283 O GLY A 42 8.785 -5.739 -8.709 1.00 0.00 O ATOM 0 H GLY A 42 5.007 -5.605 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.728 -4.417 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.647 -5.888 -6.451 1.00 0.00 H new ATOM 287 N ALA A 43 7.282 -4.156 -9.258 1.00 0.00 N ATOM 288 CA ALA A 43 7.950 -3.756 -10.492 1.00 0.00 C ATOM 289 C ALA A 43 9.147 -2.834 -10.210 1.00 0.00 C ATOM 290 O ALA A 43 10.296 -3.256 -10.298 1.00 0.00 O ATOM 291 CB ALA A 43 6.934 -3.121 -11.447 1.00 0.00 C ATOM 0 H ALA A 43 6.415 -3.650 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 43 8.359 -4.642 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.436 -2.823 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.151 -3.843 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.491 -2.244 -10.976 1.00 0.00 H new ATOM 297 N SER A 44 8.877 -1.564 -9.895 1.00 0.00 N ATOM 298 CA SER A 44 9.866 -0.525 -9.601 1.00 0.00 C ATOM 299 C SER A 44 10.032 -0.316 -8.089 1.00 0.00 C ATOM 300 O SER A 44 10.732 0.605 -7.669 1.00 0.00 O ATOM 301 CB SER A 44 9.455 0.786 -10.284 1.00 0.00 C ATOM 302 OG SER A 44 10.483 1.749 -10.156 1.00 0.00 O ATOM 0 H SER A 44 7.920 -1.217 -9.836 1.00 0.00 H new ATOM 0 HA SER A 44 10.830 -0.849 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.246 0.605 -11.338 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.535 1.164 -9.837 1.00 0.00 H new ATOM 0 HG SER A 44 10.979 1.589 -9.326 1.00 0.00 H new ATOM 308 N ALA A 45 9.330 -1.111 -7.286 1.00 0.00 N ATOM 309 CA ALA A 45 9.297 -1.096 -5.835 1.00 0.00 C ATOM 310 C ALA A 45 9.161 -2.567 -5.437 1.00 0.00 C ATOM 311 O ALA A 45 8.815 -3.367 -6.304 1.00 0.00 O ATOM 312 CB ALA A 45 8.086 -0.261 -5.416 1.00 0.00 C ATOM 0 H ALA A 45 8.724 -1.837 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 45 10.175 -0.660 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.027 -0.226 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.189 0.751 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.177 -0.712 -5.814 1.00 0.00 H new ATOM 318 N PRO A 46 9.445 -2.970 -4.192 1.00 0.00 N ATOM 319 CA PRO A 46 9.328 -4.363 -3.792 1.00 0.00 C ATOM 320 C PRO A 46 7.869 -4.828 -3.816 1.00 0.00 C ATOM 321 O PRO A 46 6.936 -4.024 -3.906 1.00 0.00 O ATOM 322 CB PRO A 46 9.936 -4.442 -2.388 1.00 0.00 C ATOM 323 CG PRO A 46 9.725 -3.031 -1.850 1.00 0.00 C ATOM 324 CD PRO A 46 9.921 -2.160 -3.090 1.00 0.00 C ATOM 0 HA PRO A 46 9.851 -5.027 -4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.436 -5.189 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.992 -4.710 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.730 -2.906 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.442 -2.786 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.359 -1.229 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.969 -1.890 -3.222 1.00 0.00 H new ATOM 332 N ALA A 47 7.686 -6.148 -3.743 1.00 0.00 N ATOM 333 CA ALA A 47 6.379 -6.779 -3.732 1.00 0.00 C ATOM 334 C ALA A 47 5.633 -6.371 -2.469 1.00 0.00 C ATOM 335 O ALA A 47 6.124 -6.629 -1.371 1.00 0.00 O ATOM 336 CB ALA A 47 6.539 -8.302 -3.771 1.00 0.00 C ATOM 0 H ALA A 47 8.458 -6.812 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 47 5.813 -6.459 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.555 -8.772 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.070 -8.589 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.105 -8.631 -2.900 1.00 0.00 H new ATOM 342 N ILE A 48 4.450 -5.767 -2.614 1.00 0.00 N ATOM 343 CA ILE A 48 3.589 -5.468 -1.474 1.00 0.00 C ATOM 344 C ILE A 48 2.253 -6.206 -1.544 1.00 0.00 C ATOM 345 O ILE A 48 1.509 -6.173 -0.574 1.00 0.00 O ATOM 346 CB ILE A 48 3.536 -3.961 -1.146 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.889 -3.055 -2.198 1.00 0.00 C ATOM 348 CG2 ILE A 48 4.965 -3.466 -0.904 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.361 -3.075 -2.115 1.00 0.00 C ATOM 0 H ILE A 48 4.069 -5.476 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 48 4.052 -5.888 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 48 2.892 -3.888 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.245 -2.034 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.202 -3.374 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.947 -2.401 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.403 -4.013 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.564 -3.631 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.946 -2.418 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.001 -4.091 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.046 -2.730 -1.130 1.00 0.00 H new ATOM 361 N ASP A 49 2.009 -6.996 -2.599 1.00 0.00 N ATOM 362 CA ASP A 49 1.021 -8.075 -2.633 1.00 0.00 C ATOM 363 C ASP A 49 0.895 -8.787 -1.275 1.00 0.00 C ATOM 364 O ASP A 49 -0.205 -8.981 -0.763 1.00 0.00 O ATOM 365 CB ASP A 49 1.453 -9.044 -3.750 1.00 0.00 C ATOM 366 CG ASP A 49 0.854 -10.441 -3.660 1.00 0.00 C ATOM 367 OD1 ASP A 49 -0.361 -10.542 -3.388 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.619 -11.404 -3.867 1.00 0.00 O ATOM 0 H ASP A 49 2.513 -6.895 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 49 0.029 -7.673 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.180 -8.610 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.540 -9.130 -3.735 1.00 0.00 H new ATOM 373 N LYS A 50 2.035 -9.134 -0.675 1.00 0.00 N ATOM 374 CA LYS A 50 2.129 -9.893 0.567 1.00 0.00 C ATOM 375 C LYS A 50 2.454 -9.014 1.774 1.00 0.00 C ATOM 376 O LYS A 50 2.710 -9.542 2.856 1.00 0.00 O ATOM 377 CB LYS A 50 3.061 -11.104 0.402 1.00 0.00 C ATOM 378 CG LYS A 50 2.553 -12.081 -0.672 1.00 0.00 C ATOM 379 CD LYS A 50 1.251 -12.805 -0.277 1.00 0.00 C ATOM 380 CE LYS A 50 0.632 -13.534 -1.477 1.00 0.00 C ATOM 381 NZ LYS A 50 -0.590 -14.264 -1.089 1.00 0.00 N ATOM 0 H LYS A 50 2.948 -8.884 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 50 1.141 -10.296 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.060 -10.759 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.149 -11.626 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.388 -11.534 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.326 -12.823 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.457 -13.521 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.537 -12.083 0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.395 -12.814 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.358 -14.232 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.240 -14.308 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.339 -15.229 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.054 -13.770 -0.300 1.00 0.00 H new ATOM 395 N ALA A 51 2.489 -7.687 1.621 1.00 0.00 N ATOM 396 CA ALA A 51 2.737 -6.804 2.751 1.00 0.00 C ATOM 397 C ALA A 51 1.789 -7.095 3.914 1.00 0.00 C ATOM 398 O ALA A 51 2.231 -7.061 5.054 1.00 0.00 O ATOM 399 CB ALA A 51 2.687 -5.335 2.342 1.00 0.00 C ATOM 0 H ALA A 51 2.349 -7.209 0.731 1.00 0.00 H new ATOM 0 HA ALA A 51 3.749 -7.008 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.877 -4.708 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.446 -5.142 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.702 -5.104 1.936 1.00 0.00 H new ATOM 405 N GLY A 52 0.516 -7.432 3.668 1.00 0.00 N ATOM 406 CA GLY A 52 -0.349 -7.858 4.754 1.00 0.00 C ATOM 407 C GLY A 52 0.165 -9.108 5.483 1.00 0.00 C ATOM 408 O GLY A 52 -0.101 -9.271 6.669 1.00 0.00 O ATOM 0 H GLY A 52 0.079 -7.416 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.449 -7.043 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.345 -8.060 4.359 1.00 0.00 H new ATOM 412 N ALA A 53 0.841 -10.031 4.787 1.00 0.00 N ATOM 413 CA ALA A 53 1.454 -11.196 5.426 1.00 0.00 C ATOM 414 C ALA A 53 2.696 -10.782 6.211 1.00 0.00 C ATOM 415 O ALA A 53 2.875 -11.187 7.356 1.00 0.00 O ATOM 416 CB ALA A 53 1.827 -12.276 4.400 1.00 0.00 C ATOM 0 H ALA A 53 0.976 -9.990 3.777 1.00 0.00 H new ATOM 0 HA ALA A 53 0.716 -11.617 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.279 -13.125 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.930 -12.605 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.537 -11.866 3.682 1.00 0.00 H new ATOM 422 N ASN A 54 3.578 -10.019 5.564 1.00 0.00 N ATOM 423 CA ASN A 54 4.902 -9.718 6.101 1.00 0.00 C ATOM 424 C ASN A 54 4.821 -8.700 7.239 1.00 0.00 C ATOM 425 O ASN A 54 5.567 -8.783 8.211 1.00 0.00 O ATOM 426 CB ASN A 54 5.802 -9.157 4.990 1.00 0.00 C ATOM 427 CG ASN A 54 6.055 -10.146 3.854 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.922 -11.355 4.015 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.429 -9.641 2.681 1.00 0.00 N ATOM 0 H ASN A 54 3.394 -9.594 4.655 1.00 0.00 H new ATOM 0 HA ASN A 54 5.322 -10.645 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.343 -8.256 4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.758 -8.860 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.611 -10.262 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.533 -8.632 2.570 1.00 0.00 H new ATOM 436 N TYR A 55 3.947 -7.714 7.065 1.00 0.00 N ATOM 437 CA TYR A 55 3.735 -6.544 7.907 1.00 0.00 C ATOM 438 C TYR A 55 2.268 -6.541 8.333 1.00 0.00 C ATOM 439 O TYR A 55 1.559 -7.522 8.125 1.00 0.00 O ATOM 440 CB TYR A 55 4.139 -5.269 7.149 1.00 0.00 C ATOM 441 CG TYR A 55 5.556 -5.251 6.596 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.619 -5.820 7.325 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.825 -4.594 5.380 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.924 -5.801 6.809 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.138 -4.547 4.879 1.00 0.00 C ATOM 446 CZ TYR A 55 8.186 -5.151 5.593 1.00 0.00 C ATOM 447 OH TYR A 55 9.457 -5.105 5.108 1.00 0.00 O ATOM 0 H TYR A 55 3.316 -7.714 6.263 1.00 0.00 H new ATOM 0 HA TYR A 55 4.358 -6.576 8.801 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.444 -5.125 6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.019 -4.417 7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.428 -6.273 8.287 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.021 -4.125 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.725 -6.286 7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.341 -4.046 3.944 1.00 0.00 H new ATOM 0 HH TYR A 55 9.465 -4.619 4.257 1.00 0.00 H new ATOM 457 N SER A 56 1.809 -5.502 9.029 1.00 0.00 N ATOM 458 CA SER A 56 0.413 -5.403 9.435 1.00 0.00 C ATOM 459 C SER A 56 -0.105 -3.988 9.184 1.00 0.00 C ATOM 460 O SER A 56 0.654 -3.116 8.749 1.00 0.00 O ATOM 461 CB SER A 56 0.271 -5.917 10.870 1.00 0.00 C ATOM 462 OG SER A 56 0.698 -7.271 10.904 1.00 0.00 O ATOM 0 H SER A 56 2.388 -4.716 9.323 1.00 0.00 H new ATOM 0 HA SER A 56 -0.230 -6.042 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.871 -5.313 11.551 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.764 -5.837 11.201 1.00 0.00 H new ATOM 0 HG SER A 56 0.616 -7.617 11.817 1.00 0.00 H new ATOM 468 N GLU A 57 -1.419 -3.799 9.341 1.00 0.00 N ATOM 469 CA GLU A 57 -2.111 -2.615 8.869 1.00 0.00 C ATOM 470 C GLU A 57 -1.459 -1.344 9.428 1.00 0.00 C ATOM 471 O GLU A 57 -1.248 -0.395 8.680 1.00 0.00 O ATOM 472 CB GLU A 57 -3.630 -2.761 9.095 1.00 0.00 C ATOM 473 CG GLU A 57 -4.096 -2.609 10.550 1.00 0.00 C ATOM 474 CD GLU A 57 -4.600 -1.196 10.821 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.654 -0.865 10.237 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.925 -0.474 11.584 1.00 0.00 O ATOM 0 H GLU A 57 -2.029 -4.473 9.804 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.005 -2.509 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.144 -2.017 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.942 -3.740 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.889 -3.327 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.272 -2.840 11.225 1.00 0.00 H new ATOM 483 N GLU A 58 -1.033 -1.359 10.693 1.00 0.00 N ATOM 484 CA GLU A 58 -0.348 -0.248 11.330 1.00 0.00 C ATOM 485 C GLU A 58 0.914 0.157 10.550 1.00 0.00 C ATOM 486 O GLU A 58 1.076 1.319 10.170 1.00 0.00 O ATOM 487 CB GLU A 58 -0.084 -0.557 12.818 1.00 0.00 C ATOM 488 CG GLU A 58 0.563 -1.914 13.168 1.00 0.00 C ATOM 489 CD GLU A 58 -0.428 -3.068 13.271 1.00 0.00 C ATOM 490 OE1 GLU A 58 -0.817 -3.573 12.195 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.765 -3.439 14.415 1.00 0.00 O ATOM 0 H GLU A 58 -1.160 -2.162 11.309 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.997 0.628 11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.556 0.231 13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.035 -0.493 13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.308 -2.155 12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.092 -1.818 14.116 1.00 0.00 H new ATOM 498 N GLU A 59 1.795 -0.809 10.279 1.00 0.00 N ATOM 499 CA GLU A 59 3.041 -0.594 9.553 1.00 0.00 C ATOM 500 C GLU A 59 2.731 -0.005 8.176 1.00 0.00 C ATOM 501 O GLU A 59 3.311 0.992 7.753 1.00 0.00 O ATOM 502 CB GLU A 59 3.774 -1.936 9.392 1.00 0.00 C ATOM 503 CG GLU A 59 4.214 -2.564 10.722 1.00 0.00 C ATOM 504 CD GLU A 59 5.333 -1.771 11.385 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.379 -1.617 10.719 1.00 0.00 O ATOM 506 OE2 GLU A 59 5.128 -1.348 12.542 1.00 0.00 O ATOM 0 H GLU A 59 1.656 -1.778 10.565 1.00 0.00 H new ATOM 0 HA GLU A 59 3.675 0.099 10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.122 -2.635 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.652 -1.787 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.360 -2.619 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.549 -3.586 10.547 1.00 0.00 H new ATOM 513 N ILE A 60 1.807 -0.652 7.466 1.00 0.00 N ATOM 514 CA ILE A 60 1.483 -0.315 6.088 1.00 0.00 C ATOM 515 C ILE A 60 0.915 1.103 6.051 1.00 0.00 C ATOM 516 O ILE A 60 1.371 1.935 5.269 1.00 0.00 O ATOM 517 CB ILE A 60 0.520 -1.364 5.506 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.193 -2.750 5.454 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.039 -0.961 4.106 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.173 -3.890 5.388 1.00 0.00 C ATOM 0 H ILE A 60 1.261 -1.429 7.837 1.00 0.00 H new ATOM 0 HA ILE A 60 2.375 -0.332 5.462 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.348 -1.417 6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.848 -2.801 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.822 -2.879 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.640 -1.722 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.482 -0.005 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.896 -0.869 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.697 -4.845 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.466 -3.858 6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.439 -3.779 4.493 1.00 0.00 H new ATOM 532 N LEU A 61 -0.061 1.382 6.916 1.00 0.00 N ATOM 533 CA LEU A 61 -0.664 2.692 7.094 1.00 0.00 C ATOM 534 C LEU A 61 0.419 3.743 7.247 1.00 0.00 C ATOM 535 O LEU A 61 0.477 4.707 6.477 1.00 0.00 O ATOM 536 CB LEU A 61 -1.555 2.677 8.343 1.00 0.00 C ATOM 537 CG LEU A 61 -2.286 3.999 8.625 1.00 0.00 C ATOM 538 CD1 LEU A 61 -2.955 4.564 7.370 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.349 3.761 9.703 1.00 0.00 C ATOM 0 H LEU A 61 -0.463 0.674 7.530 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.269 2.933 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.295 1.884 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.941 2.425 9.208 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.548 4.727 8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.460 5.498 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.199 4.750 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.684 3.847 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.873 4.694 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.062 3.015 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.869 3.405 10.615 1.00 0.00 H new ATOM 551 N ASP A 62 1.280 3.544 8.246 1.00 0.00 N ATOM 552 CA ASP A 62 2.302 4.533 8.526 1.00 0.00 C ATOM 553 C ASP A 62 3.183 4.701 7.293 1.00 0.00 C ATOM 554 O ASP A 62 3.439 5.821 6.866 1.00 0.00 O ATOM 555 CB ASP A 62 3.107 4.173 9.774 1.00 0.00 C ATOM 556 CG ASP A 62 3.993 5.347 10.172 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.423 6.390 10.570 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.223 5.210 10.017 1.00 0.00 O ATOM 0 H ASP A 62 1.286 2.727 8.856 1.00 0.00 H new ATOM 0 HA ASP A 62 1.829 5.490 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.433 3.920 10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.719 3.292 9.582 1.00 0.00 H new ATOM 563 N ILE A 63 3.568 3.601 6.649 1.00 0.00 N ATOM 564 CA ILE A 63 4.438 3.652 5.481 1.00 0.00 C ATOM 565 C ILE A 63 3.779 4.424 4.335 1.00 0.00 C ATOM 566 O ILE A 63 4.441 5.216 3.671 1.00 0.00 O ATOM 567 CB ILE A 63 4.874 2.224 5.101 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.096 1.846 5.958 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.164 2.077 3.604 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.537 0.388 5.794 1.00 0.00 C ATOM 0 H ILE A 63 3.288 2.659 6.921 1.00 0.00 H new ATOM 0 HA ILE A 63 5.345 4.209 5.717 1.00 0.00 H new ATOM 0 HB ILE A 63 4.053 1.537 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.928 2.499 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.864 2.030 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.467 1.052 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.266 2.316 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.966 2.759 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.403 0.196 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.721 -0.274 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.802 0.203 4.753 1.00 0.00 H new ATOM 582 N ILE A 64 2.483 4.239 4.087 1.00 0.00 N ATOM 583 CA ILE A 64 1.778 5.015 3.070 1.00 0.00 C ATOM 584 C ILE A 64 1.871 6.503 3.411 1.00 0.00 C ATOM 585 O ILE A 64 2.225 7.336 2.571 1.00 0.00 O ATOM 586 CB ILE A 64 0.316 4.554 2.978 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.266 3.106 2.476 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.483 5.467 2.031 1.00 0.00 C ATOM 589 CD1 ILE A 64 -1.044 2.441 2.895 1.00 0.00 C ATOM 0 H ILE A 64 1.901 3.559 4.576 1.00 0.00 H new ATOM 0 HA ILE A 64 2.241 4.855 2.096 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.133 4.611 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.359 3.088 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.110 2.546 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.516 5.123 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.459 6.490 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.040 5.435 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.063 1.414 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.121 2.442 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.884 2.992 2.471 1.00 0.00 H new ATOM 601 N LEU A 65 1.530 6.831 4.656 1.00 0.00 N ATOM 602 CA LEU A 65 1.507 8.203 5.132 1.00 0.00 C ATOM 603 C LEU A 65 2.910 8.834 5.113 1.00 0.00 C ATOM 604 O LEU A 65 3.034 10.023 4.831 1.00 0.00 O ATOM 605 CB LEU A 65 0.890 8.226 6.536 1.00 0.00 C ATOM 606 CG LEU A 65 -0.593 7.802 6.591 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.969 7.524 8.050 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.503 8.901 6.047 1.00 0.00 C ATOM 0 H LEU A 65 1.262 6.146 5.362 1.00 0.00 H new ATOM 0 HA LEU A 65 0.895 8.808 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.468 7.566 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.982 9.233 6.943 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.724 6.911 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.015 7.223 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.340 6.724 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.819 8.427 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.541 8.573 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.378 9.805 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.240 9.111 5.010 1.00 0.00 H new ATOM 620 N ASN A 66 3.952 8.054 5.418 1.00 0.00 N ATOM 621 CA ASN A 66 5.311 8.530 5.692 1.00 0.00 C ATOM 622 C ASN A 66 6.227 8.381 4.481 1.00 0.00 C ATOM 623 O ASN A 66 6.917 9.328 4.115 1.00 0.00 O ATOM 624 CB ASN A 66 5.927 7.752 6.865 1.00 0.00 C ATOM 625 CG ASN A 66 5.409 8.212 8.225 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.129 8.849 8.989 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.161 7.882 8.525 1.00 0.00 N ATOM 0 H ASN A 66 3.869 7.039 5.483 1.00 0.00 H new ATOM 0 HA ASN A 66 5.227 9.588 5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.713 6.690 6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.011 7.864 6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.762 8.158 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.599 7.352 7.859 1.00 0.00 H new ATOM 634 N GLY A 67 6.274 7.180 3.899 1.00 0.00 N ATOM 635 CA GLY A 67 7.202 6.775 2.854 1.00 0.00 C ATOM 636 C GLY A 67 7.917 5.479 3.250 1.00 0.00 C ATOM 637 O GLY A 67 7.581 4.851 4.253 1.00 0.00 O ATOM 0 H GLY A 67 5.632 6.431 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.664 6.630 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.934 7.564 2.682 1.00 0.00 H new ATOM 641 N GLN A 68 8.917 5.098 2.454 1.00 0.00 N ATOM 642 CA GLN A 68 9.856 4.003 2.681 1.00 0.00 C ATOM 643 C GLN A 68 10.987 4.253 1.684 1.00 0.00 C ATOM 644 O GLN A 68 10.693 4.375 0.503 1.00 0.00 O ATOM 645 CB GLN A 68 9.242 2.618 2.363 1.00 0.00 C ATOM 646 CG GLN A 68 10.299 1.504 2.372 1.00 0.00 C ATOM 647 CD GLN A 68 10.966 1.208 3.707 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.481 2.101 4.373 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.024 -0.068 4.066 1.00 0.00 N ATOM 0 H GLN A 68 9.103 5.580 1.575 1.00 0.00 H new ATOM 0 HA GLN A 68 10.165 3.984 3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.467 2.388 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.759 2.651 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.830 0.587 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.076 1.766 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.583 -0.782 3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.509 -0.335 4.922 1.00 0.00 H new ATOM 658 N GLY A 69 12.253 4.286 2.103 1.00 0.00 N ATOM 659 CA GLY A 69 13.382 4.441 1.182 1.00 0.00 C ATOM 660 C GLY A 69 13.143 5.528 0.121 1.00 0.00 C ATOM 661 O GLY A 69 13.076 6.706 0.463 1.00 0.00 O ATOM 0 H GLY A 69 12.524 4.207 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.278 4.687 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.572 3.490 0.684 1.00 0.00 H new ATOM 665 N GLY A 70 13.006 5.146 -1.156 1.00 0.00 N ATOM 666 CA GLY A 70 12.780 6.076 -2.259 1.00 0.00 C ATOM 667 C GLY A 70 11.308 6.465 -2.456 1.00 0.00 C ATOM 668 O GLY A 70 11.012 7.391 -3.209 1.00 0.00 O ATOM 0 H GLY A 70 13.050 4.170 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.364 6.980 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.153 5.629 -3.180 1.00 0.00 H new ATOM 672 N MET A 71 10.373 5.759 -1.818 1.00 0.00 N ATOM 673 CA MET A 71 8.946 6.042 -1.891 1.00 0.00 C ATOM 674 C MET A 71 8.673 7.414 -1.269 1.00 0.00 C ATOM 675 O MET A 71 9.030 7.614 -0.108 1.00 0.00 O ATOM 676 CB MET A 71 8.203 4.954 -1.115 1.00 0.00 C ATOM 677 CG MET A 71 6.678 5.007 -1.173 1.00 0.00 C ATOM 678 SD MET A 71 5.955 3.556 -0.362 1.00 0.00 S ATOM 679 CE MET A 71 4.408 4.246 0.273 1.00 0.00 C ATOM 0 H MET A 71 10.595 4.959 -1.225 1.00 0.00 H new ATOM 0 HA MET A 71 8.607 6.052 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.527 3.983 -1.491 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.508 5.009 -0.070 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.322 5.916 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.350 5.050 -2.212 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.911 3.507 0.902 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.622 5.139 0.861 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.757 4.508 -0.561 1.00 0.00 H new ATOM 689 N PRO A 72 8.024 8.345 -1.989 1.00 0.00 N ATOM 690 CA PRO A 72 7.851 9.718 -1.540 1.00 0.00 C ATOM 691 C PRO A 72 7.013 9.811 -0.267 1.00 0.00 C ATOM 692 O PRO A 72 7.276 10.657 0.584 1.00 0.00 O ATOM 693 CB PRO A 72 7.217 10.469 -2.716 1.00 0.00 C ATOM 694 CG PRO A 72 6.540 9.370 -3.533 1.00 0.00 C ATOM 695 CD PRO A 72 7.463 8.172 -3.317 1.00 0.00 C ATOM 0 HA PRO A 72 8.807 10.163 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.497 11.213 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.968 10.998 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.528 9.170 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.464 9.638 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.912 7.234 -3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.248 8.141 -4.073 1.00 0.00 H new ATOM 703 N GLY A 73 6.000 8.952 -0.143 1.00 0.00 N ATOM 704 CA GLY A 73 5.120 8.939 1.009 1.00 0.00 C ATOM 705 C GLY A 73 4.059 10.028 0.905 1.00 0.00 C ATOM 706 O GLY A 73 4.123 10.911 0.051 1.00 0.00 O ATOM 0 H GLY A 73 5.773 8.247 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.638 7.965 1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.704 9.083 1.918 1.00 0.00 H new ATOM 710 N GLY A 74 3.029 9.911 1.741 1.00 0.00 N ATOM 711 CA GLY A 74 1.876 10.802 1.707 1.00 0.00 C ATOM 712 C GLY A 74 1.162 10.699 0.361 1.00 0.00 C ATOM 713 O GLY A 74 0.514 11.639 -0.092 1.00 0.00 O ATOM 0 H GLY A 74 2.973 9.192 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.187 10.546 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.197 11.829 1.877 1.00 0.00 H new ATOM 717 N ILE A 75 1.280 9.533 -0.281 1.00 0.00 N ATOM 718 CA ILE A 75 0.697 9.256 -1.581 1.00 0.00 C ATOM 719 C ILE A 75 -0.824 9.212 -1.455 1.00 0.00 C ATOM 720 O ILE A 75 -1.527 9.585 -2.396 1.00 0.00 O ATOM 721 CB ILE A 75 1.298 7.942 -2.107 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.763 8.181 -2.517 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.523 7.370 -3.302 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.620 6.965 -2.178 1.00 0.00 C ATOM 0 H ILE A 75 1.797 8.743 0.104 1.00 0.00 H new ATOM 0 HA ILE A 75 0.928 10.041 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 75 1.234 7.211 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.818 8.385 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.151 9.061 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.993 6.443 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.507 7.170 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.532 8.091 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.652 7.153 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.580 6.779 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.242 6.093 -2.712 1.00 0.00 H new ATOM 736 N ALA A 76 -1.312 8.764 -0.298 1.00 0.00 N ATOM 737 CA ALA A 76 -2.709 8.754 0.084 1.00 0.00 C ATOM 738 C ALA A 76 -2.771 9.215 1.540 1.00 0.00 C ATOM 739 O ALA A 76 -1.755 9.101 2.232 1.00 0.00 O ATOM 740 CB ALA A 76 -3.240 7.326 -0.065 1.00 0.00 C ATOM 0 H ALA A 76 -0.707 8.381 0.428 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.316 9.411 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.292 7.298 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.135 7.005 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.672 6.657 0.582 1.00 0.00 H new ATOM 746 N LYS A 77 -3.911 9.732 2.016 1.00 0.00 N ATOM 747 CA LYS A 77 -4.026 10.160 3.410 1.00 0.00 C ATOM 748 C LYS A 77 -5.409 9.932 4.030 1.00 0.00 C ATOM 749 O LYS A 77 -6.428 9.886 3.345 1.00 0.00 O ATOM 750 CB LYS A 77 -3.562 11.621 3.579 1.00 0.00 C ATOM 751 CG LYS A 77 -2.663 11.752 4.818 1.00 0.00 C ATOM 752 CD LYS A 77 -2.302 13.205 5.146 1.00 0.00 C ATOM 753 CE LYS A 77 -1.301 13.288 6.313 1.00 0.00 C ATOM 754 NZ LYS A 77 -1.861 12.809 7.596 1.00 0.00 N ATOM 0 H LYS A 77 -4.757 9.862 1.461 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.355 9.511 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.018 11.943 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.428 12.276 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.168 11.307 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.747 11.183 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.875 13.683 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.207 13.757 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.417 12.700 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.974 14.321 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.152 12.922 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.708 13.363 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.117 11.805 7.510 1.00 0.00 H new ATOM 768 N GLY A 78 -5.432 9.800 5.360 1.00 0.00 N ATOM 769 CA GLY A 78 -6.650 9.597 6.126 1.00 0.00 C ATOM 770 C GLY A 78 -7.324 8.300 5.690 1.00 0.00 C ATOM 771 O GLY A 78 -6.636 7.334 5.355 1.00 0.00 O ATOM 0 H GLY A 78 -4.590 9.833 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.419 9.557 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.328 10.438 5.978 1.00 0.00 H new ATOM 775 N ALA A 79 -8.660 8.325 5.608 1.00 0.00 N ATOM 776 CA ALA A 79 -9.506 7.227 5.152 1.00 0.00 C ATOM 777 C ALA A 79 -8.915 6.492 3.947 1.00 0.00 C ATOM 778 O ALA A 79 -9.039 5.277 3.847 1.00 0.00 O ATOM 779 CB ALA A 79 -10.900 7.762 4.815 1.00 0.00 C ATOM 0 H ALA A 79 -9.200 9.150 5.870 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.571 6.502 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.532 6.942 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.341 8.215 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.822 8.511 4.027 1.00 0.00 H new ATOM 785 N GLU A 80 -8.280 7.228 3.033 1.00 0.00 N ATOM 786 CA GLU A 80 -7.590 6.682 1.878 1.00 0.00 C ATOM 787 C GLU A 80 -6.524 5.663 2.324 1.00 0.00 C ATOM 788 O GLU A 80 -6.604 4.479 1.994 1.00 0.00 O ATOM 789 CB GLU A 80 -6.991 7.875 1.120 1.00 0.00 C ATOM 790 CG GLU A 80 -6.722 7.676 -0.376 1.00 0.00 C ATOM 791 CD GLU A 80 -5.934 8.857 -0.942 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.610 9.764 -0.140 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.625 8.810 -2.152 1.00 0.00 O ATOM 0 H GLU A 80 -8.234 8.246 3.083 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.265 6.135 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.665 8.724 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.052 8.147 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.165 6.752 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.666 7.572 -0.910 1.00 0.00 H new ATOM 800 N ALA A 81 -5.528 6.113 3.096 1.00 0.00 N ATOM 801 CA ALA A 81 -4.435 5.267 3.542 1.00 0.00 C ATOM 802 C ALA A 81 -4.950 4.202 4.510 1.00 0.00 C ATOM 803 O ALA A 81 -4.531 3.051 4.431 1.00 0.00 O ATOM 804 CB ALA A 81 -3.351 6.135 4.184 1.00 0.00 C ATOM 0 H ALA A 81 -5.465 7.076 3.425 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.999 4.748 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.529 5.502 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.980 6.854 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.770 6.668 5.037 1.00 0.00 H new ATOM 810 N GLU A 82 -5.863 4.578 5.409 1.00 0.00 N ATOM 811 CA GLU A 82 -6.473 3.667 6.371 1.00 0.00 C ATOM 812 C GLU A 82 -7.150 2.507 5.637 1.00 0.00 C ATOM 813 O GLU A 82 -6.945 1.335 5.960 1.00 0.00 O ATOM 814 CB GLU A 82 -7.484 4.444 7.221 1.00 0.00 C ATOM 815 CG GLU A 82 -6.832 5.553 8.065 1.00 0.00 C ATOM 816 CD GLU A 82 -7.846 6.607 8.496 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.031 6.238 8.650 1.00 0.00 O ATOM 818 OE2 GLU A 82 -7.428 7.779 8.620 1.00 0.00 O ATOM 0 H GLU A 82 -6.201 5.537 5.487 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.708 3.249 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.236 4.887 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.004 3.750 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.368 5.113 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.037 6.027 7.490 1.00 0.00 H new ATOM 825 N ALA A 83 -7.948 2.832 4.617 1.00 0.00 N ATOM 826 CA ALA A 83 -8.596 1.829 3.795 1.00 0.00 C ATOM 827 C ALA A 83 -7.547 0.916 3.166 1.00 0.00 C ATOM 828 O ALA A 83 -7.702 -0.303 3.235 1.00 0.00 O ATOM 829 CB ALA A 83 -9.498 2.481 2.747 1.00 0.00 C ATOM 0 H ALA A 83 -8.157 3.793 4.346 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.240 1.213 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.972 1.707 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.265 3.074 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.900 3.127 2.104 1.00 0.00 H new ATOM 835 N VAL A 84 -6.477 1.473 2.577 1.00 0.00 N ATOM 836 CA VAL A 84 -5.400 0.619 2.086 1.00 0.00 C ATOM 837 C VAL A 84 -4.873 -0.278 3.200 1.00 0.00 C ATOM 838 O VAL A 84 -4.713 -1.465 2.970 1.00 0.00 O ATOM 839 CB VAL A 84 -4.229 1.366 1.437 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.198 0.321 0.982 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.617 2.180 0.203 1.00 0.00 C ATOM 0 H VAL A 84 -6.341 2.474 2.435 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.857 0.024 1.295 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.848 2.063 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.351 0.824 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.851 -0.248 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.659 -0.356 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.734 2.678 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.034 1.516 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.361 2.927 0.479 1.00 0.00 H new ATOM 851 N ALA A 85 -4.565 0.262 4.376 1.00 0.00 N ATOM 852 CA ALA A 85 -4.022 -0.527 5.470 1.00 0.00 C ATOM 853 C ALA A 85 -4.889 -1.764 5.710 1.00 0.00 C ATOM 854 O ALA A 85 -4.403 -2.894 5.635 1.00 0.00 O ATOM 855 CB ALA A 85 -3.925 0.355 6.713 1.00 0.00 C ATOM 0 H ALA A 85 -4.685 1.251 4.593 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.022 -0.882 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.519 -0.226 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.270 1.202 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.917 0.720 6.978 1.00 0.00 H new ATOM 861 N ALA A 86 -6.188 -1.543 5.932 1.00 0.00 N ATOM 862 CA ALA A 86 -7.145 -2.619 6.147 1.00 0.00 C ATOM 863 C ALA A 86 -7.172 -3.592 4.961 1.00 0.00 C ATOM 864 O ALA A 86 -6.944 -4.789 5.123 1.00 0.00 O ATOM 865 CB ALA A 86 -8.531 -2.021 6.406 1.00 0.00 C ATOM 0 H ALA A 86 -6.600 -0.611 5.967 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.837 -3.194 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.250 -2.825 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.493 -1.385 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.838 -1.427 5.545 1.00 0.00 H new ATOM 871 N TRP A 87 -7.463 -3.082 3.764 1.00 0.00 N ATOM 872 CA TRP A 87 -7.613 -3.878 2.551 1.00 0.00 C ATOM 873 C TRP A 87 -6.354 -4.697 2.259 1.00 0.00 C ATOM 874 O TRP A 87 -6.417 -5.873 1.925 1.00 0.00 O ATOM 875 CB TRP A 87 -7.916 -2.922 1.399 1.00 0.00 C ATOM 876 CG TRP A 87 -7.852 -3.494 0.015 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.847 -4.070 -0.698 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.723 -3.434 -0.893 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.332 -4.582 -1.874 1.00 0.00 N ATOM 880 CE2 TRP A 87 -7.016 -4.211 -2.045 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.479 -2.778 -0.881 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -6.051 -4.411 -3.044 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.713 -2.720 -2.055 1.00 0.00 C ATOM 884 CH2 TRP A 87 -5.101 -3.415 -3.204 1.00 0.00 C ATOM 0 H TRP A 87 -7.603 -2.083 3.610 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.428 -4.591 2.678 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.914 -2.511 1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.216 -2.088 1.455 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.882 -4.122 -0.395 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.858 -5.159 -2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.115 -2.321 0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -6.049 -5.299 -3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.809 -2.129 -2.071 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.680 -3.186 -4.172 1.00 0.00 H new ATOM 895 N LEU A 88 -5.189 -4.069 2.362 1.00 0.00 N ATOM 896 CA LEU A 88 -3.926 -4.693 2.028 1.00 0.00 C ATOM 897 C LEU A 88 -3.593 -5.750 3.083 1.00 0.00 C ATOM 898 O LEU A 88 -3.215 -6.873 2.751 1.00 0.00 O ATOM 899 CB LEU A 88 -2.842 -3.633 1.839 1.00 0.00 C ATOM 900 CG LEU A 88 -1.758 -4.020 0.835 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.882 -5.130 1.380 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.154 -4.359 -0.596 1.00 0.00 C ATOM 0 H LEU A 88 -5.099 -3.105 2.683 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.992 -5.214 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.310 -2.705 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.374 -3.432 2.803 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.229 -3.073 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.119 -5.386 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.402 -4.796 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.494 -6.008 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.262 -4.610 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.835 -5.210 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.648 -3.500 -1.050 1.00 0.00 H new ATOM 914 N ALA A 89 -3.815 -5.426 4.360 1.00 0.00 N ATOM 915 CA ALA A 89 -3.760 -6.408 5.434 1.00 0.00 C ATOM 916 C ALA A 89 -4.694 -7.585 5.138 1.00 0.00 C ATOM 917 O ALA A 89 -4.344 -8.734 5.379 1.00 0.00 O ATOM 918 CB ALA A 89 -4.068 -5.754 6.780 1.00 0.00 C ATOM 0 H ALA A 89 -4.036 -4.480 4.672 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.747 -6.806 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.022 -6.505 7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.336 -4.972 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.067 -5.318 6.753 1.00 0.00 H new ATOM 924 N GLU A 90 -5.866 -7.313 4.573 1.00 0.00 N ATOM 925 CA GLU A 90 -6.834 -8.330 4.194 1.00 0.00 C ATOM 926 C GLU A 90 -6.406 -9.110 2.930 1.00 0.00 C ATOM 927 O GLU A 90 -6.916 -10.202 2.689 1.00 0.00 O ATOM 928 CB GLU A 90 -8.201 -7.625 4.106 1.00 0.00 C ATOM 929 CG GLU A 90 -9.400 -8.527 3.765 1.00 0.00 C ATOM 930 CD GLU A 90 -9.650 -8.713 2.267 1.00 0.00 C ATOM 931 OE1 GLU A 90 -8.943 -8.067 1.464 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.586 -9.480 1.955 1.00 0.00 O ATOM 0 H GLU A 90 -6.173 -6.363 4.363 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.901 -9.122 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.398 -7.136 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.136 -6.840 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.242 -9.506 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.296 -8.106 4.220 1.00 0.00 H new ATOM 939 N LYS A 91 -5.417 -8.631 2.160 1.00 0.00 N ATOM 940 CA LYS A 91 -5.131 -9.138 0.815 1.00 0.00 C ATOM 941 C LYS A 91 -4.244 -10.387 0.820 1.00 0.00 C ATOM 942 O LYS A 91 -4.068 -11.034 -0.212 1.00 0.00 O ATOM 943 CB LYS A 91 -4.410 -8.023 0.048 1.00 0.00 C ATOM 944 CG LYS A 91 -4.933 -7.764 -1.368 1.00 0.00 C ATOM 945 CD LYS A 91 -4.440 -8.717 -2.468 1.00 0.00 C ATOM 946 CE LYS A 91 -2.936 -8.532 -2.710 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.451 -9.251 -3.906 1.00 0.00 N ATOM 0 H LYS A 91 -4.794 -7.880 2.456 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.075 -9.423 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.488 -7.100 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.351 -8.272 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.022 -7.807 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.661 -6.747 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.643 -9.749 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.988 -8.529 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.719 -7.469 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.387 -8.881 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.481 -9.587 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.071 -10.064 -4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.459 -8.609 -4.724 1.00 0.00 H new ATOM 961 N LYS A 92 -3.613 -10.645 1.960 1.00 0.00 N ATOM 962 CA LYS A 92 -2.369 -11.382 2.072 1.00 0.00 C ATOM 963 C LYS A 92 -2.538 -12.882 1.814 1.00 0.00 C ATOM 964 O LYS A 92 -3.422 -13.496 2.446 1.00 0.00 O ATOM 965 CB LYS A 92 -1.832 -11.109 3.467 1.00 0.00 C ATOM 966 CG LYS A 92 -2.733 -11.663 4.585 1.00 0.00 C ATOM 967 CD LYS A 92 -2.435 -10.982 5.923 1.00 0.00 C ATOM 968 CE LYS A 92 -3.561 -11.176 6.941 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.586 -12.549 7.468 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.735 -13.407 1.009 1.00 0.00 O ATOM 0 H LYS A 92 -3.971 -10.333 2.863 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.669 -11.050 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.839 -11.548 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.718 -10.033 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.780 -11.511 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.581 -12.738 4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.507 -11.381 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.278 -9.916 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.433 -10.472 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.519 -10.948 6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.361 -12.643 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.733 -13.218 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.681 -12.757 7.937 1.00 0.00 H new