USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -14! C(o=-28!,f=-32!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -13.8! (180deg=-9.72!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= -3.58! C(o=-2.7!,f=-8.7!) USER MOD Set 2.2: A 34 TYR OH : rot 10:sc= 0.704 USER MOD Set 2.3: A 75 SER OG : rot -47:sc= 0.162 USER MOD Set 3.1: A 25 THR OG1 : rot -63:sc= 1.56 USER MOD Set 3.2: A 37 THR OG1 : rot 33:sc= 1.39 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 66:sc= 0.535 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -69:sc= -0.67 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-9.8!) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.21! C(o=-6.5!,f=-3.2!) USER MOD Single : A 21 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -132:sc= 0.0427 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -140:sc= -0.42 USER MOD Single : A 61 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.3) USER MOD Single : A 68 SER OG : rot -92:sc= 0.357 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -9.24! C(o=-11!,f=-9.2!) USER MOD Single : A 89 SER OG : rot -54:sc= 0.348 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 114:sc= 1.37 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00527 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -0.4 (180deg=-0.4) USER MOD Single : A 105 HEM CMB :methyl -30:sc= -0.235 (180deg=-0.471) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.916 1.291 -30.633 1.00 0.00 N ATOM 2 CA ALA A 1 32.592 0.528 -31.826 1.00 0.00 C ATOM 3 C ALA A 1 31.126 0.764 -32.197 1.00 0.00 C ATOM 4 O ALA A 1 30.829 1.257 -33.283 1.00 0.00 O ATOM 5 CB ALA A 1 32.899 -0.952 -31.584 1.00 0.00 C ATOM 0 H1 ALA A 1 33.912 1.132 -30.379 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.763 2.303 -30.816 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.306 0.985 -29.849 1.00 0.00 H new ATOM 0 HA ALA A 1 33.202 0.856 -32.668 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.656 -1.525 -32.479 1.00 0.00 H new ATOM 0 HB2 ALA A 1 33.958 -1.071 -31.353 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.302 -1.315 -30.747 1.00 0.00 H new ATOM 11 N GLU A 2 30.249 0.405 -31.271 1.00 0.00 N ATOM 12 CA GLU A 2 28.822 0.571 -31.486 1.00 0.00 C ATOM 13 C GLU A 2 28.038 0.032 -30.288 1.00 0.00 C ATOM 14 O GLU A 2 28.604 -0.627 -29.418 1.00 0.00 O ATOM 15 CB GLU A 2 28.380 -0.111 -32.783 1.00 0.00 C ATOM 16 CG GLU A 2 27.639 0.872 -33.693 1.00 0.00 C ATOM 17 CD GLU A 2 27.722 0.432 -35.156 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.765 -0.156 -35.515 1.00 0.00 O ATOM 19 OE2 GLU A 2 26.739 0.691 -35.884 1.00 0.00 O ATOM 0 H GLU A 2 30.500 -0.001 -30.369 1.00 0.00 H new ATOM 0 HA GLU A 2 28.611 1.636 -31.584 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.251 -0.509 -33.304 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.733 -0.957 -32.551 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.595 0.939 -33.388 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.068 1.868 -33.584 1.00 0.00 H new ATOM 26 N GLU A 3 26.748 0.334 -30.282 1.00 0.00 N ATOM 27 CA GLU A 3 25.879 -0.111 -29.204 1.00 0.00 C ATOM 28 C GLU A 3 24.452 0.390 -29.431 1.00 0.00 C ATOM 29 O GLU A 3 24.228 1.295 -30.234 1.00 0.00 O ATOM 30 CB GLU A 3 26.413 0.346 -27.846 1.00 0.00 C ATOM 31 CG GLU A 3 26.936 -0.841 -27.034 1.00 0.00 C ATOM 32 CD GLU A 3 26.868 -0.552 -25.534 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.751 -0.239 -25.067 1.00 0.00 O ATOM 34 OE2 GLU A 3 27.932 -0.650 -24.887 1.00 0.00 O ATOM 0 H GLU A 3 26.283 0.881 -31.006 1.00 0.00 H new ATOM 0 HA GLU A 3 25.863 -1.201 -29.202 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.213 1.072 -27.992 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.622 0.850 -27.291 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.349 -1.730 -27.264 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.965 -1.056 -27.320 1.00 0.00 H new ATOM 41 N SER A 4 23.524 -0.219 -28.708 1.00 0.00 N ATOM 42 CA SER A 4 22.124 0.156 -28.821 1.00 0.00 C ATOM 43 C SER A 4 21.278 -0.697 -27.873 1.00 0.00 C ATOM 44 O SER A 4 21.738 -1.724 -27.378 1.00 0.00 O ATOM 45 CB SER A 4 21.626 0.003 -30.259 1.00 0.00 C ATOM 46 OG SER A 4 21.808 -1.322 -30.750 1.00 0.00 O ATOM 0 H SER A 4 23.713 -0.969 -28.043 1.00 0.00 H new ATOM 0 HA SER A 4 22.027 1.205 -28.542 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.569 0.265 -30.306 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.157 0.704 -30.903 1.00 0.00 H new ATOM 0 HG SER A 4 21.476 -1.378 -31.670 1.00 0.00 H new ATOM 52 N SER A 5 20.055 -0.239 -27.650 1.00 0.00 N ATOM 53 CA SER A 5 19.139 -0.947 -26.771 1.00 0.00 C ATOM 54 C SER A 5 17.883 -0.105 -26.535 1.00 0.00 C ATOM 55 O SER A 5 17.966 1.113 -26.389 1.00 0.00 O ATOM 56 CB SER A 5 19.808 -1.286 -25.437 1.00 0.00 C ATOM 57 OG SER A 5 20.161 -2.664 -25.353 1.00 0.00 O ATOM 0 H SER A 5 19.677 0.614 -28.063 1.00 0.00 H new ATOM 0 HA SER A 5 18.856 -1.882 -27.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.702 -0.674 -25.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.134 -1.034 -24.619 1.00 0.00 H new ATOM 0 HG SER A 5 20.855 -2.865 -26.015 1.00 0.00 H new ATOM 63 N LYS A 6 16.749 -0.788 -26.508 1.00 0.00 N ATOM 64 CA LYS A 6 15.477 -0.119 -26.293 1.00 0.00 C ATOM 65 C LYS A 6 14.369 -1.167 -26.164 1.00 0.00 C ATOM 66 O LYS A 6 14.599 -2.350 -26.408 1.00 0.00 O ATOM 67 CB LYS A 6 15.222 0.913 -27.394 1.00 0.00 C ATOM 68 CG LYS A 6 15.126 0.240 -28.764 1.00 0.00 C ATOM 69 CD LYS A 6 14.676 1.238 -29.834 1.00 0.00 C ATOM 70 CE LYS A 6 14.857 0.655 -31.238 1.00 0.00 C ATOM 71 NZ LYS A 6 14.945 1.739 -32.242 1.00 0.00 N ATOM 0 H LYS A 6 16.684 -1.798 -26.631 1.00 0.00 H new ATOM 0 HA LYS A 6 15.495 0.443 -25.359 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.299 1.453 -27.185 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.027 1.648 -27.402 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.095 -0.179 -29.036 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.422 -0.591 -28.717 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.629 1.498 -29.677 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.251 2.159 -29.742 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.760 0.046 -31.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.021 -0.002 -31.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.068 1.326 -33.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.072 2.304 -32.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.758 2.350 -32.023 1.00 0.00 H new ATOM 85 N ALA A 7 13.192 -0.692 -25.781 1.00 0.00 N ATOM 86 CA ALA A 7 12.049 -1.573 -25.617 1.00 0.00 C ATOM 87 C ALA A 7 12.287 -2.492 -24.416 1.00 0.00 C ATOM 88 O ALA A 7 12.827 -3.587 -24.566 1.00 0.00 O ATOM 89 CB ALA A 7 11.815 -2.354 -26.912 1.00 0.00 C ATOM 0 H ALA A 7 13.006 0.291 -25.580 1.00 0.00 H new ATOM 0 HA ALA A 7 11.146 -0.996 -25.417 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.957 -3.015 -26.788 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.621 -1.657 -27.727 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.700 -2.947 -27.144 1.00 0.00 H new ATOM 95 N VAL A 8 11.872 -2.014 -23.253 1.00 0.00 N ATOM 96 CA VAL A 8 12.032 -2.778 -22.029 1.00 0.00 C ATOM 97 C VAL A 8 11.792 -4.260 -22.323 1.00 0.00 C ATOM 98 O VAL A 8 12.653 -5.097 -22.053 1.00 0.00 O ATOM 99 CB VAL A 8 11.106 -2.226 -20.942 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.993 -1.374 -21.553 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.527 -3.358 -20.090 1.00 0.00 C ATOM 0 H VAL A 8 11.424 -1.105 -23.133 1.00 0.00 H new ATOM 0 HA VAL A 8 13.049 -2.682 -21.649 1.00 0.00 H new ATOM 0 HB VAL A 8 11.698 -1.585 -20.289 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.349 -0.994 -20.760 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.432 -0.537 -22.097 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.404 -1.983 -22.239 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.873 -2.940 -19.325 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.956 -4.036 -20.725 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.339 -3.906 -19.612 1.00 0.00 H new ATOM 111 N LYS A 9 10.620 -4.540 -22.873 1.00 0.00 N ATOM 112 CA LYS A 9 10.256 -5.906 -23.207 1.00 0.00 C ATOM 113 C LYS A 9 9.860 -6.649 -21.929 1.00 0.00 C ATOM 114 O LYS A 9 8.733 -7.128 -21.809 1.00 0.00 O ATOM 115 CB LYS A 9 11.383 -6.584 -23.989 1.00 0.00 C ATOM 116 CG LYS A 9 10.864 -7.163 -25.307 1.00 0.00 C ATOM 117 CD LYS A 9 11.998 -7.807 -26.107 1.00 0.00 C ATOM 118 CE LYS A 9 11.491 -8.332 -27.452 1.00 0.00 C ATOM 119 NZ LYS A 9 11.164 -9.773 -27.354 1.00 0.00 N ATOM 0 H LYS A 9 9.909 -3.843 -23.096 1.00 0.00 H new ATOM 0 HA LYS A 9 9.388 -5.920 -23.867 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.175 -5.863 -24.191 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.822 -7.379 -23.386 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.091 -7.904 -25.103 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.400 -6.373 -25.898 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.791 -7.077 -26.273 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.433 -8.626 -25.534 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.607 -7.772 -27.758 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.249 -8.176 -28.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.821 -10.115 -28.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.016 -10.305 -27.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.425 -9.913 -26.636 1.00 0.00 H new ATOM 133 N TYR A 10 10.809 -6.726 -21.008 1.00 0.00 N ATOM 134 CA TYR A 10 10.574 -7.404 -19.745 1.00 0.00 C ATOM 135 C TYR A 10 11.120 -6.585 -18.573 1.00 0.00 C ATOM 136 O TYR A 10 12.324 -6.357 -18.479 1.00 0.00 O ATOM 137 CB TYR A 10 11.337 -8.727 -19.826 1.00 0.00 C ATOM 138 CG TYR A 10 12.136 -8.905 -21.120 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.434 -8.440 -21.199 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.560 -9.530 -22.207 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.185 -8.608 -22.416 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.311 -9.698 -23.423 1.00 0.00 C ATOM 143 CZ TYR A 10 13.587 -9.228 -23.469 1.00 0.00 C ATOM 144 OH TYR A 10 14.297 -9.387 -24.616 1.00 0.00 O ATOM 0 H TYR A 10 11.743 -6.330 -21.112 1.00 0.00 H new ATOM 0 HA TYR A 10 9.506 -7.548 -19.581 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.018 -8.795 -18.978 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.628 -9.550 -19.732 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.885 -7.951 -20.349 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.545 -9.893 -22.145 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.201 -8.250 -22.491 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.871 -10.186 -24.280 1.00 0.00 H new ATOM 0 HH TYR A 10 14.438 -8.513 -25.037 1.00 0.00 H new ATOM 154 N TYR A 11 10.206 -6.167 -17.709 1.00 0.00 N ATOM 155 CA TYR A 11 10.580 -5.379 -16.547 1.00 0.00 C ATOM 156 C TYR A 11 10.040 -6.007 -15.261 1.00 0.00 C ATOM 157 O TYR A 11 9.197 -6.901 -15.310 1.00 0.00 O ATOM 158 CB TYR A 11 9.931 -4.006 -16.742 1.00 0.00 C ATOM 159 CG TYR A 11 10.925 -2.891 -17.072 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.143 -3.197 -17.646 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.604 -1.576 -16.796 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.077 -2.146 -17.956 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.538 -0.526 -17.107 1.00 0.00 C ATOM 164 CZ TYR A 11 12.729 -0.863 -17.672 1.00 0.00 C ATOM 165 OH TYR A 11 13.612 0.129 -17.965 1.00 0.00 O ATOM 0 H TYR A 11 9.208 -6.359 -17.791 1.00 0.00 H new ATOM 0 HA TYR A 11 11.665 -5.320 -16.456 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.196 -4.073 -17.544 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.389 -3.739 -15.835 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.395 -4.225 -17.862 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.652 -1.336 -16.347 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.033 -2.372 -18.404 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.299 0.506 -16.897 1.00 0.00 H new ATOM 0 HH TYR A 11 13.229 0.994 -17.709 1.00 0.00 H new ATOM 175 N THR A 12 10.547 -5.514 -14.140 1.00 0.00 N ATOM 176 CA THR A 12 10.127 -6.015 -12.844 1.00 0.00 C ATOM 177 C THR A 12 9.237 -4.991 -12.139 1.00 0.00 C ATOM 178 O THR A 12 9.378 -3.788 -12.355 1.00 0.00 O ATOM 179 CB THR A 12 11.381 -6.380 -12.049 1.00 0.00 C ATOM 180 OG1 THR A 12 12.048 -5.136 -11.863 1.00 0.00 O ATOM 181 CG2 THR A 12 12.370 -7.216 -12.865 1.00 0.00 C ATOM 0 H THR A 12 11.246 -4.772 -14.104 1.00 0.00 H new ATOM 0 HA THR A 12 9.517 -6.913 -12.946 1.00 0.00 H new ATOM 0 HB THR A 12 11.095 -6.930 -11.153 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.873 -5.280 -11.354 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.242 -7.447 -12.253 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.890 -8.143 -13.179 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.683 -6.653 -13.745 1.00 0.00 H new ATOM 189 N LEU A 13 8.338 -5.503 -11.310 1.00 0.00 N ATOM 190 CA LEU A 13 7.426 -4.648 -10.572 1.00 0.00 C ATOM 191 C LEU A 13 8.199 -3.458 -10.000 1.00 0.00 C ATOM 192 O LEU A 13 7.690 -2.339 -9.970 1.00 0.00 O ATOM 193 CB LEU A 13 6.669 -5.456 -9.516 1.00 0.00 C ATOM 194 CG LEU A 13 5.243 -5.870 -9.883 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.472 -6.335 -8.646 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.517 -4.744 -10.621 1.00 0.00 C ATOM 0 H LEU A 13 8.223 -6.501 -11.134 1.00 0.00 H new ATOM 0 HA LEU A 13 6.663 -4.243 -11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.242 -6.357 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.631 -4.870 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 13 5.299 -6.718 -10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.461 -6.624 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.980 -7.190 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.424 -5.523 -7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.506 -5.065 -10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.471 -3.861 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.057 -4.502 -11.537 1.00 0.00 H new ATOM 208 N GLU A 14 9.417 -3.741 -9.561 1.00 0.00 N ATOM 209 CA GLU A 14 10.265 -2.708 -8.990 1.00 0.00 C ATOM 210 C GLU A 14 10.660 -1.693 -10.064 1.00 0.00 C ATOM 211 O GLU A 14 10.520 -0.487 -9.866 1.00 0.00 O ATOM 212 CB GLU A 14 11.503 -3.319 -8.330 1.00 0.00 C ATOM 213 CG GLU A 14 11.580 -2.939 -6.850 1.00 0.00 C ATOM 214 CD GLU A 14 10.445 -3.591 -6.058 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.330 -3.025 -6.094 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.718 -4.639 -5.435 1.00 0.00 O ATOM 0 H GLU A 14 9.837 -4.670 -9.589 1.00 0.00 H new ATOM 0 HA GLU A 14 9.701 -2.187 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.474 -4.404 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.401 -2.976 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.541 -3.251 -6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.526 -1.855 -6.746 1.00 0.00 H new ATOM 223 N GLU A 15 11.146 -2.218 -11.180 1.00 0.00 N ATOM 224 CA GLU A 15 11.562 -1.373 -12.286 1.00 0.00 C ATOM 225 C GLU A 15 10.438 -0.408 -12.668 1.00 0.00 C ATOM 226 O GLU A 15 10.697 0.733 -13.049 1.00 0.00 O ATOM 227 CB GLU A 15 11.994 -2.216 -13.488 1.00 0.00 C ATOM 228 CG GLU A 15 12.635 -1.341 -14.568 1.00 0.00 C ATOM 229 CD GLU A 15 14.015 -0.848 -14.126 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.926 -1.701 -14.056 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.127 0.370 -13.869 1.00 0.00 O ATOM 0 H GLU A 15 11.261 -3.219 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 15 12.424 -0.787 -11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.702 -2.980 -13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.130 -2.736 -13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.727 -1.909 -15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.991 -0.488 -14.780 1.00 0.00 H new ATOM 238 N ILE A 16 9.213 -0.900 -12.552 1.00 0.00 N ATOM 239 CA ILE A 16 8.049 -0.096 -12.882 1.00 0.00 C ATOM 240 C ILE A 16 7.753 0.862 -11.726 1.00 0.00 C ATOM 241 O ILE A 16 7.369 2.010 -11.948 1.00 0.00 O ATOM 242 CB ILE A 16 6.867 -0.993 -13.256 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.320 -2.158 -14.137 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.747 -0.180 -13.909 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.703 -3.476 -13.664 1.00 0.00 C ATOM 0 H ILE A 16 9.002 -1.846 -12.234 1.00 0.00 H new ATOM 0 HA ILE A 16 8.245 0.516 -13.762 1.00 0.00 H new ATOM 0 HB ILE A 16 6.460 -1.422 -12.340 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.034 -1.969 -15.172 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.407 -2.233 -14.116 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.919 -0.841 -14.165 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.399 0.584 -13.214 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.124 0.297 -14.814 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.042 -4.288 -14.308 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.011 -3.674 -12.637 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.616 -3.406 -13.709 1.00 0.00 H new ATOM 257 N GLN A 17 7.941 0.355 -10.517 1.00 0.00 N ATOM 258 CA GLN A 17 7.699 1.151 -9.324 1.00 0.00 C ATOM 259 C GLN A 17 8.593 2.393 -9.326 1.00 0.00 C ATOM 260 O GLN A 17 8.190 3.453 -8.850 1.00 0.00 O ATOM 261 CB GLN A 17 7.915 0.321 -8.057 1.00 0.00 C ATOM 262 CG GLN A 17 6.945 0.745 -6.954 1.00 0.00 C ATOM 263 CD GLN A 17 7.688 1.428 -5.803 1.00 0.00 C ATOM 264 OE1 GLN A 17 7.602 2.628 -5.601 1.00 0.00 O ATOM 265 NE2 GLN A 17 8.420 0.598 -5.064 1.00 0.00 N ATOM 0 H GLN A 17 8.258 -0.598 -10.337 1.00 0.00 H new ATOM 0 HA GLN A 17 6.658 1.476 -9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.776 -0.736 -8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.941 0.441 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.198 1.425 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.411 -0.128 -6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.447 -0.396 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.954 0.956 -4.272 1.00 0.00 H new ATOM 274 N LYS A 18 9.791 2.221 -9.866 1.00 0.00 N ATOM 275 CA LYS A 18 10.745 3.314 -9.935 1.00 0.00 C ATOM 276 C LYS A 18 10.239 4.365 -10.926 1.00 0.00 C ATOM 277 O LYS A 18 10.505 5.555 -10.765 1.00 0.00 O ATOM 278 CB LYS A 18 12.143 2.786 -10.260 1.00 0.00 C ATOM 279 CG LYS A 18 12.575 1.720 -9.251 1.00 0.00 C ATOM 280 CD LYS A 18 13.098 2.361 -7.965 1.00 0.00 C ATOM 281 CE LYS A 18 14.353 3.192 -8.239 1.00 0.00 C ATOM 282 NZ LYS A 18 15.231 3.215 -7.046 1.00 0.00 N ATOM 0 H LYS A 18 10.122 1.340 -10.260 1.00 0.00 H new ATOM 0 HA LYS A 18 10.832 3.805 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.152 2.365 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.857 3.609 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.731 1.070 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.350 1.092 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.325 2.995 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.323 1.585 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.894 2.775 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.071 4.209 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.078 3.783 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.717 3.634 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.515 2.244 -6.805 1.00 0.00 H new ATOM 296 N HIS A 19 9.517 3.886 -11.929 1.00 0.00 N ATOM 297 CA HIS A 19 8.972 4.770 -12.946 1.00 0.00 C ATOM 298 C HIS A 19 7.578 5.243 -12.521 1.00 0.00 C ATOM 299 O HIS A 19 6.574 4.641 -12.896 1.00 0.00 O ATOM 300 CB HIS A 19 8.973 4.090 -14.315 1.00 0.00 C ATOM 301 CG HIS A 19 10.333 4.031 -14.970 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.570 4.503 -16.249 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.525 3.554 -14.510 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.849 4.313 -16.536 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.439 3.724 -15.457 1.00 0.00 N ATOM 0 H HIS A 19 9.297 2.899 -12.059 1.00 0.00 H new ATOM 0 HA HIS A 19 9.605 5.652 -13.043 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.589 3.076 -14.206 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.286 4.621 -14.974 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.877 4.926 -16.866 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.696 3.113 -13.539 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.338 4.578 -17.462 1.00 0.00 H new ATOM 314 N ASN A 20 7.566 6.316 -11.745 1.00 0.00 N ATOM 315 CA ASN A 20 6.313 6.877 -11.265 1.00 0.00 C ATOM 316 C ASN A 20 6.364 8.402 -11.384 1.00 0.00 C ATOM 317 O ASN A 20 5.562 9.102 -10.769 1.00 0.00 O ATOM 318 CB ASN A 20 6.080 6.525 -9.794 1.00 0.00 C ATOM 319 CG ASN A 20 4.888 7.300 -9.228 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.883 7.448 -10.084 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.883 7.734 -8.088 1.00 0.00 N flip ATOM 0 H ASN A 20 8.402 6.812 -11.436 1.00 0.00 H new ATOM 0 HA ASN A 20 5.505 6.463 -11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.902 5.454 -9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.975 6.753 -9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.690 7.585 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.072 8.246 -7.741 1.00 0.00 H new ATOM 328 N ASN A 21 7.313 8.869 -12.180 1.00 0.00 N ATOM 329 CA ASN A 21 7.478 10.299 -12.387 1.00 0.00 C ATOM 330 C ASN A 21 6.995 10.665 -13.793 1.00 0.00 C ATOM 331 O ASN A 21 6.929 9.808 -14.673 1.00 0.00 O ATOM 332 CB ASN A 21 8.949 10.706 -12.273 1.00 0.00 C ATOM 333 CG ASN A 21 9.514 10.336 -10.900 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.476 11.109 -9.956 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.040 9.117 -10.841 1.00 0.00 N ATOM 0 H ASN A 21 7.976 8.284 -12.689 1.00 0.00 H new ATOM 0 HA ASN A 21 6.899 10.819 -11.624 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.528 10.213 -13.054 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.047 11.780 -12.433 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.444 8.778 -9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.039 8.521 -11.669 1.00 0.00 H new ATOM 342 N SER A 22 6.670 11.938 -13.960 1.00 0.00 N ATOM 343 CA SER A 22 6.194 12.428 -15.242 1.00 0.00 C ATOM 344 C SER A 22 7.247 12.174 -16.323 1.00 0.00 C ATOM 345 O SER A 22 6.949 12.244 -17.513 1.00 0.00 O ATOM 346 CB SER A 22 5.856 13.918 -15.171 1.00 0.00 C ATOM 347 OG SER A 22 4.804 14.270 -16.065 1.00 0.00 O ATOM 0 H SER A 22 6.727 12.646 -13.228 1.00 0.00 H new ATOM 0 HA SER A 22 5.282 11.888 -15.497 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.567 14.176 -14.152 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.745 14.503 -15.408 1.00 0.00 H new ATOM 0 HG SER A 22 4.617 15.229 -15.989 1.00 0.00 H new ATOM 353 N LYS A 23 8.457 11.882 -15.867 1.00 0.00 N ATOM 354 CA LYS A 23 9.555 11.614 -16.780 1.00 0.00 C ATOM 355 C LYS A 23 9.628 10.113 -17.059 1.00 0.00 C ATOM 356 O LYS A 23 10.055 9.698 -18.137 1.00 0.00 O ATOM 357 CB LYS A 23 10.859 12.202 -16.235 1.00 0.00 C ATOM 358 CG LYS A 23 11.986 12.083 -17.263 1.00 0.00 C ATOM 359 CD LYS A 23 13.011 13.206 -17.087 1.00 0.00 C ATOM 360 CE LYS A 23 13.803 13.433 -18.376 1.00 0.00 C ATOM 361 NZ LYS A 23 13.251 14.584 -19.125 1.00 0.00 N ATOM 0 H LYS A 23 8.701 11.825 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 23 9.383 12.107 -17.737 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.709 13.250 -15.974 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.141 11.683 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.479 11.116 -17.157 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.570 12.120 -18.270 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.502 14.127 -16.802 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.694 12.956 -16.276 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.851 13.614 -18.139 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.767 12.537 -18.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.799 14.726 -19.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.257 14.396 -19.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.308 15.440 -18.537 1.00 0.00 H new ATOM 375 N SER A 24 9.204 9.338 -16.073 1.00 0.00 N ATOM 376 CA SER A 24 9.214 7.891 -16.199 1.00 0.00 C ATOM 377 C SER A 24 7.933 7.304 -15.607 1.00 0.00 C ATOM 378 O SER A 24 7.953 6.729 -14.519 1.00 0.00 O ATOM 379 CB SER A 24 10.442 7.287 -15.513 1.00 0.00 C ATOM 380 OG SER A 24 11.032 8.191 -14.582 1.00 0.00 O ATOM 0 H SER A 24 8.851 9.685 -15.181 1.00 0.00 H new ATOM 0 HA SER A 24 9.263 7.641 -17.259 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.155 6.371 -14.997 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.179 7.011 -16.267 1.00 0.00 H new ATOM 0 HG SER A 24 11.811 7.768 -14.164 1.00 0.00 H new ATOM 386 N THR A 25 6.847 7.467 -16.348 1.00 0.00 N ATOM 387 CA THR A 25 5.557 6.961 -15.910 1.00 0.00 C ATOM 388 C THR A 25 5.280 5.593 -16.536 1.00 0.00 C ATOM 389 O THR A 25 4.772 5.508 -17.654 1.00 0.00 O ATOM 390 CB THR A 25 4.496 8.011 -16.250 1.00 0.00 C ATOM 391 OG1 THR A 25 5.207 9.245 -16.217 1.00 0.00 O ATOM 392 CG2 THR A 25 3.445 8.158 -15.148 1.00 0.00 C ATOM 0 H THR A 25 6.834 7.943 -17.250 1.00 0.00 H new ATOM 0 HA THR A 25 5.541 6.800 -14.832 1.00 0.00 H new ATOM 0 HB THR A 25 4.006 7.743 -17.186 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.548 9.402 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.716 8.915 -15.439 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.938 7.205 -14.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.931 8.460 -14.220 1.00 0.00 H new ATOM 400 N TRP A 26 5.628 4.555 -15.790 1.00 0.00 N ATOM 401 CA TRP A 26 5.423 3.195 -16.259 1.00 0.00 C ATOM 402 C TRP A 26 4.404 2.525 -15.334 1.00 0.00 C ATOM 403 O TRP A 26 4.340 2.836 -14.147 1.00 0.00 O ATOM 404 CB TRP A 26 6.749 2.435 -16.336 1.00 0.00 C ATOM 405 CG TRP A 26 7.722 2.986 -17.381 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.888 4.260 -17.763 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.663 2.223 -18.166 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.863 4.373 -18.734 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.347 3.097 -18.988 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.924 0.843 -18.184 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.340 2.685 -19.886 1.00 0.00 C ATOM 412 CZ3 TRP A 26 9.920 0.448 -19.087 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.618 1.314 -19.920 1.00 0.00 C ATOM 0 H TRP A 26 6.050 4.628 -14.864 1.00 0.00 H new ATOM 0 HA TRP A 26 5.027 3.193 -17.275 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.229 2.462 -15.358 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.544 1.389 -16.562 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.330 5.093 -17.362 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.171 5.236 -19.182 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.399 0.142 -17.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.863 3.388 -20.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.162 -0.603 -19.139 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.372 0.930 -20.591 1.00 0.00 H new ATOM 424 N LEU A 27 3.633 1.617 -15.916 1.00 0.00 N ATOM 425 CA LEU A 27 2.619 0.900 -15.161 1.00 0.00 C ATOM 426 C LEU A 27 2.356 -0.452 -15.825 1.00 0.00 C ATOM 427 O LEU A 27 2.877 -0.730 -16.905 1.00 0.00 O ATOM 428 CB LEU A 27 1.366 1.761 -14.995 1.00 0.00 C ATOM 429 CG LEU A 27 0.325 1.649 -16.110 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.992 1.642 -17.487 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.571 0.426 -15.902 1.00 0.00 C ATOM 0 H LEU A 27 3.690 1.362 -16.902 1.00 0.00 H new ATOM 0 HA LEU A 27 2.970 0.694 -14.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.889 1.496 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.673 2.804 -14.915 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.315 2.530 -16.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.228 1.561 -18.261 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.552 2.567 -17.625 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.671 0.793 -17.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.302 0.369 -16.708 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.040 -0.477 -15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.090 0.513 -14.947 1.00 0.00 H new ATOM 443 N ILE A 28 1.545 -1.257 -15.154 1.00 0.00 N ATOM 444 CA ILE A 28 1.205 -2.573 -15.667 1.00 0.00 C ATOM 445 C ILE A 28 -0.275 -2.598 -16.052 1.00 0.00 C ATOM 446 O ILE A 28 -1.122 -2.104 -15.310 1.00 0.00 O ATOM 447 CB ILE A 28 1.596 -3.658 -14.661 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.567 -3.108 -13.613 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.157 -4.890 -15.373 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.018 -3.281 -14.069 1.00 0.00 C ATOM 0 H ILE A 28 1.114 -1.023 -14.260 1.00 0.00 H new ATOM 0 HA ILE A 28 1.775 -2.788 -16.571 1.00 0.00 H new ATOM 0 HB ILE A 28 0.697 -3.975 -14.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.360 -2.052 -13.438 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.416 -3.624 -12.665 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.427 -5.645 -14.635 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.403 -5.295 -16.048 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.042 -4.609 -15.944 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.689 -2.883 -13.308 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.228 -4.340 -14.220 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.172 -2.744 -15.005 1.00 0.00 H new ATOM 462 N LEU A 29 -0.542 -3.178 -17.213 1.00 0.00 N ATOM 463 CA LEU A 29 -1.905 -3.275 -17.706 1.00 0.00 C ATOM 464 C LEU A 29 -2.136 -4.671 -18.289 1.00 0.00 C ATOM 465 O LEU A 29 -1.553 -5.024 -19.313 1.00 0.00 O ATOM 466 CB LEU A 29 -2.200 -2.142 -18.691 1.00 0.00 C ATOM 467 CG LEU A 29 -3.449 -1.306 -18.401 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.113 -0.842 -19.698 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.422 -2.070 -17.500 1.00 0.00 C ATOM 0 H LEU A 29 0.163 -3.586 -17.827 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.615 -3.150 -16.888 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.338 -1.475 -18.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.298 -2.571 -19.688 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.143 -0.411 -17.860 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.998 -0.250 -19.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.411 -0.234 -20.269 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.404 -1.711 -20.289 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.301 -1.454 -17.309 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.726 -2.993 -17.993 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.933 -2.307 -16.555 1.00 0.00 H new ATOM 481 N HIS A 30 -2.987 -5.427 -17.610 1.00 0.00 N ATOM 482 CA HIS A 30 -3.301 -6.776 -18.047 1.00 0.00 C ATOM 483 C HIS A 30 -2.134 -7.708 -17.714 1.00 0.00 C ATOM 484 O HIS A 30 -2.344 -8.868 -17.361 1.00 0.00 O ATOM 485 CB HIS A 30 -3.669 -6.794 -19.532 1.00 0.00 C ATOM 486 CG HIS A 30 -4.788 -5.849 -19.900 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.576 -4.514 -20.195 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.130 -6.062 -20.017 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.745 -3.958 -20.475 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.708 -4.918 -20.364 1.00 0.00 N ATOM 0 H HIS A 30 -3.468 -5.131 -16.761 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.177 -7.141 -17.511 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.786 -6.540 -20.118 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.956 -7.807 -19.812 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.673 -4.039 -20.197 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.637 -7.002 -19.855 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.908 -2.925 -20.744 1.00 0.00 H new ATOM 499 N TYR A 31 -0.932 -7.167 -17.837 1.00 0.00 N ATOM 500 CA TYR A 31 0.267 -7.936 -17.552 1.00 0.00 C ATOM 501 C TYR A 31 1.488 -7.324 -18.245 1.00 0.00 C ATOM 502 O TYR A 31 2.622 -7.713 -17.969 1.00 0.00 O ATOM 503 CB TYR A 31 0.019 -9.333 -18.124 1.00 0.00 C ATOM 504 CG TYR A 31 1.263 -9.995 -18.717 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.283 -10.412 -17.887 1.00 0.00 C ATOM 506 CD2 TYR A 31 1.366 -10.171 -20.082 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.456 -11.036 -18.446 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.540 -10.794 -20.639 1.00 0.00 C ATOM 509 CZ TYR A 31 3.526 -11.195 -19.794 1.00 0.00 C ATOM 510 OH TYR A 31 4.634 -11.783 -20.322 1.00 0.00 O ATOM 0 H TYR A 31 -0.762 -6.205 -18.130 1.00 0.00 H new ATOM 0 HA TYR A 31 0.466 -7.953 -16.481 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.378 -9.972 -17.335 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.747 -9.267 -18.896 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.203 -10.271 -16.819 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.568 -9.842 -20.732 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.261 -11.370 -17.808 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.634 -10.939 -21.705 1.00 0.00 H new ATOM 0 HH TYR A 31 4.966 -11.243 -21.069 1.00 0.00 H new ATOM 520 N LYS A 32 1.212 -6.380 -19.134 1.00 0.00 N ATOM 521 CA LYS A 32 2.273 -5.712 -19.868 1.00 0.00 C ATOM 522 C LYS A 32 2.529 -4.337 -19.249 1.00 0.00 C ATOM 523 O LYS A 32 1.649 -3.771 -18.600 1.00 0.00 O ATOM 524 CB LYS A 32 1.942 -5.663 -21.360 1.00 0.00 C ATOM 525 CG LYS A 32 1.349 -6.991 -21.835 1.00 0.00 C ATOM 526 CD LYS A 32 -0.179 -6.971 -21.751 1.00 0.00 C ATOM 527 CE LYS A 32 -0.804 -7.666 -22.961 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.194 -8.078 -22.661 1.00 0.00 N ATOM 0 H LYS A 32 0.270 -6.063 -19.362 1.00 0.00 H new ATOM 0 HA LYS A 32 3.203 -6.275 -19.789 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.235 -4.856 -21.553 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.844 -5.440 -21.929 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.658 -7.184 -22.862 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.740 -7.806 -21.226 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.503 -7.466 -20.836 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.530 -5.941 -21.698 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.795 -6.994 -23.819 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.210 -8.539 -23.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.604 -8.548 -23.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.195 -8.736 -21.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.761 -7.239 -22.423 1.00 0.00 H new ATOM 542 N VAL A 33 3.735 -3.838 -19.472 1.00 0.00 N ATOM 543 CA VAL A 33 4.117 -2.539 -18.943 1.00 0.00 C ATOM 544 C VAL A 33 4.005 -1.490 -20.051 1.00 0.00 C ATOM 545 O VAL A 33 4.520 -1.686 -21.151 1.00 0.00 O ATOM 546 CB VAL A 33 5.518 -2.614 -18.330 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.496 -3.376 -17.004 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.510 -3.244 -19.310 1.00 0.00 C ATOM 0 H VAL A 33 4.461 -4.309 -20.012 1.00 0.00 H new ATOM 0 HA VAL A 33 3.442 -2.240 -18.141 1.00 0.00 H new ATOM 0 HB VAL A 33 5.850 -1.596 -18.124 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.504 -3.415 -16.590 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.835 -2.867 -16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.134 -4.390 -17.173 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.498 -3.286 -18.851 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.183 -4.253 -19.560 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.557 -2.642 -20.218 1.00 0.00 H new ATOM 558 N TYR A 34 3.327 -0.399 -19.723 1.00 0.00 N ATOM 559 CA TYR A 34 3.141 0.681 -20.677 1.00 0.00 C ATOM 560 C TYR A 34 3.890 1.940 -20.232 1.00 0.00 C ATOM 561 O TYR A 34 4.174 2.112 -19.047 1.00 0.00 O ATOM 562 CB TYR A 34 1.639 0.974 -20.693 1.00 0.00 C ATOM 563 CG TYR A 34 0.771 -0.248 -20.995 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.718 -1.297 -20.100 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.038 -0.302 -22.163 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.100 -2.448 -20.385 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.781 -1.452 -22.448 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.808 -2.468 -21.544 1.00 0.00 C ATOM 569 OH TYR A 34 -1.582 -3.555 -21.813 1.00 0.00 O ATOM 0 H TYR A 34 2.900 -0.240 -18.810 1.00 0.00 H new ATOM 0 HA TYR A 34 3.522 0.398 -21.658 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.349 1.383 -19.725 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.437 1.744 -21.438 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.290 -1.255 -19.185 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.079 0.519 -22.864 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.149 -3.276 -19.693 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.360 -1.506 -23.358 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.632 -4.126 -21.018 1.00 0.00 H new ATOM 579 N ASP A 35 4.187 2.788 -21.207 1.00 0.00 N ATOM 580 CA ASP A 35 4.897 4.024 -20.932 1.00 0.00 C ATOM 581 C ASP A 35 3.885 5.159 -20.755 1.00 0.00 C ATOM 582 O ASP A 35 3.666 5.948 -21.673 1.00 0.00 O ATOM 583 CB ASP A 35 5.827 4.396 -22.088 1.00 0.00 C ATOM 584 CG ASP A 35 7.184 4.965 -21.670 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.214 5.653 -20.627 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.161 4.699 -22.403 1.00 0.00 O ATOM 0 H ASP A 35 3.948 2.642 -22.188 1.00 0.00 H new ATOM 0 HA ASP A 35 5.488 3.879 -20.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.995 3.509 -22.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.322 5.127 -22.719 1.00 0.00 H new ATOM 591 N LEU A 36 3.296 5.204 -19.570 1.00 0.00 N ATOM 592 CA LEU A 36 2.312 6.229 -19.262 1.00 0.00 C ATOM 593 C LEU A 36 2.916 7.607 -19.537 1.00 0.00 C ATOM 594 O LEU A 36 2.192 8.563 -19.812 1.00 0.00 O ATOM 595 CB LEU A 36 1.792 6.060 -17.833 1.00 0.00 C ATOM 596 CG LEU A 36 0.877 4.858 -17.590 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.069 5.035 -16.302 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.024 4.601 -18.800 1.00 0.00 C ATOM 0 H LEU A 36 3.481 4.548 -18.811 1.00 0.00 H new ATOM 0 HA LEU A 36 1.440 6.127 -19.908 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.648 5.981 -17.163 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.252 6.965 -17.555 1.00 0.00 H new ATOM 0 HG LEU A 36 1.502 3.974 -17.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.573 4.167 -16.153 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.749 5.133 -15.456 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.546 5.932 -16.378 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.664 3.741 -18.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.643 5.479 -18.986 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.592 4.399 -19.676 1.00 0.00 H new ATOM 610 N THR A 37 4.237 7.668 -19.452 1.00 0.00 N ATOM 611 CA THR A 37 4.946 8.915 -19.689 1.00 0.00 C ATOM 612 C THR A 37 4.511 9.530 -21.021 1.00 0.00 C ATOM 613 O THR A 37 4.146 10.704 -21.075 1.00 0.00 O ATOM 614 CB THR A 37 6.447 8.625 -19.616 1.00 0.00 C ATOM 615 OG1 THR A 37 6.877 9.322 -18.449 1.00 0.00 O ATOM 616 CG2 THR A 37 7.227 9.285 -20.754 1.00 0.00 C ATOM 0 H THR A 37 4.835 6.874 -19.222 1.00 0.00 H new ATOM 0 HA THR A 37 4.705 9.658 -18.929 1.00 0.00 H new ATOM 0 HB THR A 37 6.611 7.548 -19.642 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.160 9.315 -17.781 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.286 9.047 -20.655 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.860 8.913 -21.710 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.092 10.366 -20.709 1.00 0.00 H new ATOM 624 N LYS A 38 4.564 8.713 -22.061 1.00 0.00 N ATOM 625 CA LYS A 38 4.180 9.163 -23.388 1.00 0.00 C ATOM 626 C LYS A 38 2.661 9.066 -23.534 1.00 0.00 C ATOM 627 O LYS A 38 2.122 9.289 -24.618 1.00 0.00 O ATOM 628 CB LYS A 38 4.951 8.389 -24.460 1.00 0.00 C ATOM 629 CG LYS A 38 6.185 9.170 -24.917 1.00 0.00 C ATOM 630 CD LYS A 38 6.914 8.432 -26.043 1.00 0.00 C ATOM 631 CE LYS A 38 8.030 9.298 -26.632 1.00 0.00 C ATOM 632 NZ LYS A 38 9.229 8.477 -26.913 1.00 0.00 N ATOM 0 H LYS A 38 4.867 7.740 -22.012 1.00 0.00 H new ATOM 0 HA LYS A 38 4.449 10.210 -23.528 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.255 7.419 -24.066 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.301 8.197 -25.313 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.887 10.161 -25.260 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.861 9.315 -24.074 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.334 7.501 -25.661 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.205 8.164 -26.826 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.684 9.773 -27.550 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.284 10.097 -25.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.977 9.080 -27.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.568 8.044 -26.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.986 7.730 -27.594 1.00 0.00 H new ATOM 646 N PHE A 39 2.011 8.736 -22.428 1.00 0.00 N ATOM 647 CA PHE A 39 0.564 8.608 -22.419 1.00 0.00 C ATOM 648 C PHE A 39 -0.022 9.101 -21.094 1.00 0.00 C ATOM 649 O PHE A 39 -0.929 8.477 -20.543 1.00 0.00 O ATOM 650 CB PHE A 39 0.245 7.120 -22.584 1.00 0.00 C ATOM 651 CG PHE A 39 1.148 6.397 -23.586 1.00 0.00 C ATOM 652 CD1 PHE A 39 1.266 6.866 -24.856 1.00 0.00 C ATOM 653 CD2 PHE A 39 1.833 5.286 -23.204 1.00 0.00 C ATOM 654 CE1 PHE A 39 2.105 6.195 -25.785 1.00 0.00 C ATOM 655 CE2 PHE A 39 2.670 4.615 -24.133 1.00 0.00 C ATOM 656 CZ PHE A 39 2.789 5.083 -25.404 1.00 0.00 C ATOM 0 H PHE A 39 2.460 8.553 -21.531 1.00 0.00 H new ATOM 0 HA PHE A 39 0.132 9.207 -23.221 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.331 6.631 -21.614 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.792 7.014 -22.903 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.722 7.749 -25.159 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.740 4.915 -22.194 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.200 6.568 -26.794 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.213 3.732 -23.830 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.426 4.572 -26.111 1.00 0.00 H new ATOM 666 N LEU A 40 0.519 10.213 -20.621 1.00 0.00 N ATOM 667 CA LEU A 40 0.062 10.795 -19.372 1.00 0.00 C ATOM 668 C LEU A 40 -1.119 11.728 -19.650 1.00 0.00 C ATOM 669 O LEU A 40 -2.207 11.538 -19.111 1.00 0.00 O ATOM 670 CB LEU A 40 1.222 11.473 -18.639 1.00 0.00 C ATOM 671 CG LEU A 40 1.926 10.630 -17.573 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.936 11.469 -16.789 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.910 9.948 -16.653 1.00 0.00 C ATOM 0 H LEU A 40 1.271 10.727 -21.081 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.298 10.016 -18.699 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.962 11.781 -19.378 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.846 12.381 -18.167 1.00 0.00 H new ATOM 0 HG LEU A 40 2.485 9.841 -18.076 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.422 10.846 -16.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.687 11.866 -17.472 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.420 12.294 -16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.437 9.356 -15.905 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.304 10.705 -16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.265 9.297 -17.243 1.00 0.00 H new ATOM 685 N GLU A 41 -0.863 12.717 -20.495 1.00 0.00 N ATOM 686 CA GLU A 41 -1.890 13.680 -20.851 1.00 0.00 C ATOM 687 C GLU A 41 -3.153 12.958 -21.323 1.00 0.00 C ATOM 688 O GLU A 41 -4.138 12.880 -20.588 1.00 0.00 O ATOM 689 CB GLU A 41 -1.382 14.651 -21.920 1.00 0.00 C ATOM 690 CG GLU A 41 -1.412 16.094 -21.409 1.00 0.00 C ATOM 691 CD GLU A 41 -1.006 17.074 -22.511 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.165 16.675 -23.344 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.546 18.201 -22.495 1.00 0.00 O ATOM 0 H GLU A 41 0.040 12.871 -20.943 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.138 14.263 -19.964 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.365 14.384 -22.205 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.997 14.566 -22.816 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.413 16.337 -21.052 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.737 16.197 -20.559 1.00 0.00 H new ATOM 700 N GLU A 42 -3.086 12.450 -22.544 1.00 0.00 N ATOM 701 CA GLU A 42 -4.213 11.738 -23.121 1.00 0.00 C ATOM 702 C GLU A 42 -5.021 11.043 -22.023 1.00 0.00 C ATOM 703 O GLU A 42 -4.684 9.935 -21.606 1.00 0.00 O ATOM 704 CB GLU A 42 -3.744 10.733 -24.176 1.00 0.00 C ATOM 705 CG GLU A 42 -4.099 11.212 -25.586 1.00 0.00 C ATOM 706 CD GLU A 42 -5.617 11.257 -25.783 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.257 10.222 -25.499 1.00 0.00 O ATOM 708 OE2 GLU A 42 -6.100 12.326 -26.213 1.00 0.00 O ATOM 0 H GLU A 42 -2.268 12.517 -23.150 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.859 12.462 -23.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.666 10.593 -24.096 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.206 9.763 -23.990 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.677 12.203 -25.755 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.652 10.546 -26.324 1.00 0.00 H new ATOM 715 N HIS A 43 -6.071 11.723 -21.586 1.00 0.00 N ATOM 716 CA HIS A 43 -6.930 11.184 -20.544 1.00 0.00 C ATOM 717 C HIS A 43 -7.972 12.231 -20.146 1.00 0.00 C ATOM 718 O HIS A 43 -7.631 13.382 -19.882 1.00 0.00 O ATOM 719 CB HIS A 43 -6.099 10.693 -19.356 1.00 0.00 C ATOM 720 CG HIS A 43 -6.406 9.274 -18.937 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.517 8.231 -19.119 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.511 8.741 -18.341 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.071 7.122 -18.653 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.308 7.441 -18.171 1.00 0.00 N ATOM 0 H HIS A 43 -6.347 12.641 -21.934 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.466 10.314 -20.923 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.042 10.765 -19.611 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.269 11.356 -18.508 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.591 8.303 -19.541 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.400 9.285 -18.056 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.623 6.139 -18.654 1.00 0.00 H new ATOM 733 N PRO A 44 -9.255 11.782 -20.116 1.00 0.00 N ATOM 734 CA PRO A 44 -10.350 12.666 -19.756 1.00 0.00 C ATOM 735 C PRO A 44 -10.369 12.927 -18.248 1.00 0.00 C ATOM 736 O PRO A 44 -11.270 13.596 -17.743 1.00 0.00 O ATOM 737 CB PRO A 44 -11.603 11.964 -20.254 1.00 0.00 C ATOM 738 CG PRO A 44 -11.213 10.509 -20.455 1.00 0.00 C ATOM 739 CD PRO A 44 -9.696 10.424 -20.424 1.00 0.00 C ATOM 0 HA PRO A 44 -10.259 13.654 -20.206 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.415 12.055 -19.532 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.954 12.407 -21.186 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.646 9.886 -19.672 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.597 10.139 -21.406 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.354 9.716 -19.669 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.299 10.086 -21.381 1.00 0.00 H new ATOM 747 N GLY A 45 -9.366 12.386 -17.573 1.00 0.00 N ATOM 748 CA GLY A 45 -9.257 12.553 -16.134 1.00 0.00 C ATOM 749 C GLY A 45 -8.062 13.437 -15.773 1.00 0.00 C ATOM 750 O GLY A 45 -8.210 14.429 -15.062 1.00 0.00 O ATOM 0 H GLY A 45 -8.621 11.832 -17.996 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.173 12.998 -15.746 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.149 11.578 -15.658 1.00 0.00 H new ATOM 754 N GLY A 46 -6.903 13.045 -16.281 1.00 0.00 N ATOM 755 CA GLY A 46 -5.681 13.788 -16.021 1.00 0.00 C ATOM 756 C GLY A 46 -4.469 12.855 -15.974 1.00 0.00 C ATOM 757 O GLY A 46 -4.620 11.644 -15.814 1.00 0.00 O ATOM 0 H GLY A 46 -6.784 12.222 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.536 14.539 -16.798 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.770 14.321 -15.075 1.00 0.00 H new ATOM 761 N GLU A 47 -3.296 13.453 -16.118 1.00 0.00 N ATOM 762 CA GLU A 47 -2.060 12.691 -16.094 1.00 0.00 C ATOM 763 C GLU A 47 -2.050 11.732 -14.901 1.00 0.00 C ATOM 764 O GLU A 47 -1.713 10.558 -15.046 1.00 0.00 O ATOM 765 CB GLU A 47 -0.845 13.618 -16.061 1.00 0.00 C ATOM 766 CG GLU A 47 -0.694 14.374 -17.384 1.00 0.00 C ATOM 767 CD GLU A 47 -0.979 15.865 -17.199 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.096 16.546 -16.633 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.073 16.291 -17.628 1.00 0.00 O ATOM 0 H GLU A 47 -3.176 14.457 -16.252 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.002 12.102 -17.009 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.948 14.329 -15.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.056 13.036 -15.866 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.316 14.238 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.378 13.959 -18.124 1.00 0.00 H new ATOM 776 N GLU A 48 -2.424 12.270 -13.749 1.00 0.00 N ATOM 777 CA GLU A 48 -2.462 11.477 -12.531 1.00 0.00 C ATOM 778 C GLU A 48 -3.124 10.123 -12.800 1.00 0.00 C ATOM 779 O GLU A 48 -2.588 9.081 -12.427 1.00 0.00 O ATOM 780 CB GLU A 48 -3.184 12.227 -11.411 1.00 0.00 C ATOM 781 CG GLU A 48 -2.282 12.385 -10.187 1.00 0.00 C ATOM 782 CD GLU A 48 -2.357 13.809 -9.630 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.923 14.726 -10.358 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.845 13.947 -8.488 1.00 0.00 O ATOM 0 H GLU A 48 -2.703 13.244 -13.633 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.438 11.300 -12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.494 13.209 -11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.090 11.688 -11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.580 11.673 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.252 12.150 -10.457 1.00 0.00 H new ATOM 791 N VAL A 49 -4.279 10.183 -13.446 1.00 0.00 N ATOM 792 CA VAL A 49 -5.019 8.975 -13.768 1.00 0.00 C ATOM 793 C VAL A 49 -4.041 7.883 -14.202 1.00 0.00 C ATOM 794 O VAL A 49 -4.305 6.696 -14.015 1.00 0.00 O ATOM 795 CB VAL A 49 -6.081 9.281 -14.826 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.471 9.298 -16.229 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.239 8.282 -14.745 1.00 0.00 C ATOM 0 H VAL A 49 -4.720 11.049 -13.755 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.549 8.605 -12.890 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.479 10.275 -14.622 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.248 9.518 -16.961 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.697 10.064 -16.280 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.032 8.324 -16.447 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.980 8.522 -15.507 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.861 7.273 -14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.701 8.339 -13.759 1.00 0.00 H new ATOM 807 N LEU A 50 -2.928 8.322 -14.774 1.00 0.00 N ATOM 808 CA LEU A 50 -1.909 7.396 -15.237 1.00 0.00 C ATOM 809 C LEU A 50 -0.691 7.484 -14.314 1.00 0.00 C ATOM 810 O LEU A 50 -0.125 6.463 -13.928 1.00 0.00 O ATOM 811 CB LEU A 50 -1.583 7.648 -16.710 1.00 0.00 C ATOM 812 CG LEU A 50 -2.784 7.743 -17.655 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.901 9.146 -18.253 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.717 6.662 -18.735 1.00 0.00 C ATOM 0 H LEU A 50 -2.711 9.307 -14.927 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.276 6.371 -15.188 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.014 8.575 -16.783 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.932 6.847 -17.060 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.690 7.564 -17.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.762 9.186 -18.920 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.029 9.874 -17.452 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.996 9.379 -18.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.581 6.751 -19.393 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.804 6.785 -19.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.718 5.678 -18.266 1.00 0.00 H new ATOM 826 N ARG A 51 -0.322 8.716 -13.990 1.00 0.00 N ATOM 827 CA ARG A 51 0.819 8.951 -13.121 1.00 0.00 C ATOM 828 C ARG A 51 0.551 8.378 -11.728 1.00 0.00 C ATOM 829 O ARG A 51 1.384 7.659 -11.177 1.00 0.00 O ATOM 830 CB ARG A 51 1.120 10.446 -13.001 1.00 0.00 C ATOM 831 CG ARG A 51 2.628 10.697 -12.940 1.00 0.00 C ATOM 832 CD ARG A 51 3.026 11.320 -11.599 1.00 0.00 C ATOM 833 NE ARG A 51 3.131 12.790 -11.736 1.00 0.00 N ATOM 834 CZ ARG A 51 3.483 13.613 -10.739 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.768 13.116 -9.527 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.553 14.934 -10.954 1.00 0.00 N ATOM 0 H ARG A 51 -0.793 9.561 -14.314 1.00 0.00 H new ATOM 0 HA ARG A 51 1.682 8.453 -13.563 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.693 10.976 -13.852 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.644 10.846 -12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.163 9.758 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.924 11.358 -13.754 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.287 11.069 -10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.979 10.908 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 51 2.923 13.202 -12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.717 12.111 -9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.036 13.743 -8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.338 15.313 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.821 15.561 -10.195 1.00 0.00 H new ATOM 850 N GLU A 52 -0.614 8.718 -11.197 1.00 0.00 N ATOM 851 CA GLU A 52 -1.001 8.246 -9.877 1.00 0.00 C ATOM 852 C GLU A 52 -0.952 6.719 -9.825 1.00 0.00 C ATOM 853 O GLU A 52 -0.837 6.134 -8.748 1.00 0.00 O ATOM 854 CB GLU A 52 -2.389 8.764 -9.497 1.00 0.00 C ATOM 855 CG GLU A 52 -2.342 9.547 -8.184 1.00 0.00 C ATOM 856 CD GLU A 52 -2.296 8.600 -6.982 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.171 8.190 -6.626 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.388 8.310 -6.446 1.00 0.00 O ATOM 0 H GLU A 52 -1.303 9.314 -11.656 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.291 8.637 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.773 9.403 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.080 7.926 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.466 10.196 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.217 10.192 -8.110 1.00 0.00 H new ATOM 865 N GLN A 53 -1.041 6.113 -11.001 1.00 0.00 N ATOM 866 CA GLN A 53 -1.008 4.665 -11.102 1.00 0.00 C ATOM 867 C GLN A 53 0.399 4.191 -11.471 1.00 0.00 C ATOM 868 O GLN A 53 0.801 3.088 -11.105 1.00 0.00 O ATOM 869 CB GLN A 53 -2.039 4.163 -12.114 1.00 0.00 C ATOM 870 CG GLN A 53 -1.693 4.629 -13.529 1.00 0.00 C ATOM 871 CD GLN A 53 -2.566 3.925 -14.569 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.215 2.890 -15.113 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.720 4.540 -14.813 1.00 0.00 N ATOM 0 H GLN A 53 -1.136 6.600 -11.892 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.268 4.246 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.080 3.074 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.029 4.527 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.831 5.708 -13.604 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.642 4.427 -13.735 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.951 5.404 -14.322 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.373 4.148 -15.491 1.00 0.00 H new ATOM 882 N ALA A 54 1.107 5.047 -12.193 1.00 0.00 N ATOM 883 CA ALA A 54 2.460 4.729 -12.616 1.00 0.00 C ATOM 884 C ALA A 54 3.293 4.337 -11.395 1.00 0.00 C ATOM 885 O ALA A 54 3.326 5.062 -10.402 1.00 0.00 O ATOM 886 CB ALA A 54 3.054 5.923 -13.367 1.00 0.00 C ATOM 0 H ALA A 54 0.769 5.961 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 54 2.458 3.881 -13.300 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.069 5.685 -13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.442 6.143 -14.242 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.074 6.793 -12.710 1.00 0.00 H new ATOM 892 N GLY A 55 3.945 3.189 -11.507 1.00 0.00 N ATOM 893 CA GLY A 55 4.776 2.691 -10.425 1.00 0.00 C ATOM 894 C GLY A 55 4.287 1.322 -9.942 1.00 0.00 C ATOM 895 O GLY A 55 4.636 0.885 -8.848 1.00 0.00 O ATOM 0 H GLY A 55 3.914 2.589 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.810 2.614 -10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.763 3.399 -9.596 1.00 0.00 H new ATOM 899 N GLY A 56 3.485 0.687 -10.784 1.00 0.00 N ATOM 900 CA GLY A 56 2.943 -0.621 -10.457 1.00 0.00 C ATOM 901 C GLY A 56 1.783 -0.982 -11.386 1.00 0.00 C ATOM 902 O GLY A 56 1.489 -0.251 -12.330 1.00 0.00 O ATOM 0 H GLY A 56 3.198 1.054 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.727 -1.374 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.601 -0.628 -9.422 1.00 0.00 H new ATOM 906 N ASP A 57 1.155 -2.110 -11.086 1.00 0.00 N ATOM 907 CA ASP A 57 0.033 -2.577 -11.882 1.00 0.00 C ATOM 908 C ASP A 57 -1.159 -1.639 -11.675 1.00 0.00 C ATOM 909 O ASP A 57 -1.517 -1.327 -10.540 1.00 0.00 O ATOM 910 CB ASP A 57 -0.394 -3.983 -11.461 1.00 0.00 C ATOM 911 CG ASP A 57 -1.903 -4.180 -11.294 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.631 -3.809 -12.240 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.292 -4.696 -10.225 1.00 0.00 O ATOM 0 H ASP A 57 1.402 -2.714 -10.302 1.00 0.00 H new ATOM 0 HA ASP A 57 0.344 -2.593 -12.926 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.030 -4.694 -12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.095 -4.228 -10.518 1.00 0.00 H new ATOM 918 N ALA A 58 -1.740 -1.217 -12.789 1.00 0.00 N ATOM 919 CA ALA A 58 -2.883 -0.322 -12.744 1.00 0.00 C ATOM 920 C ALA A 58 -4.132 -1.073 -13.211 1.00 0.00 C ATOM 921 O ALA A 58 -5.254 -0.649 -12.939 1.00 0.00 O ATOM 922 CB ALA A 58 -2.596 0.917 -13.594 1.00 0.00 C ATOM 0 H ALA A 58 -1.440 -1.479 -13.728 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.064 0.018 -11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.454 1.588 -13.560 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.718 1.431 -13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.412 0.616 -14.625 1.00 0.00 H new ATOM 928 N THR A 59 -3.894 -2.176 -13.906 1.00 0.00 N ATOM 929 CA THR A 59 -4.986 -2.990 -14.414 1.00 0.00 C ATOM 930 C THR A 59 -6.033 -3.220 -13.322 1.00 0.00 C ATOM 931 O THR A 59 -7.233 -3.180 -13.589 1.00 0.00 O ATOM 932 CB THR A 59 -4.391 -4.287 -14.966 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.085 -4.491 -16.194 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.761 -5.507 -14.123 1.00 0.00 C ATOM 0 H THR A 59 -2.962 -2.525 -14.129 1.00 0.00 H new ATOM 0 HA THR A 59 -5.512 -2.485 -15.224 1.00 0.00 H new ATOM 0 HB THR A 59 -3.306 -4.196 -15.015 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.288 -5.444 -16.300 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.313 -6.400 -14.559 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.389 -5.374 -13.107 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.845 -5.619 -14.101 1.00 0.00 H new ATOM 942 N GLU A 60 -5.541 -3.452 -12.115 1.00 0.00 N ATOM 943 CA GLU A 60 -6.418 -3.688 -10.981 1.00 0.00 C ATOM 944 C GLU A 60 -7.433 -2.551 -10.850 1.00 0.00 C ATOM 945 O GLU A 60 -8.587 -2.781 -10.493 1.00 0.00 O ATOM 946 CB GLU A 60 -5.614 -3.856 -9.690 1.00 0.00 C ATOM 947 CG GLU A 60 -5.614 -5.316 -9.231 1.00 0.00 C ATOM 948 CD GLU A 60 -6.274 -5.461 -7.859 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.478 -5.136 -7.773 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.560 -5.892 -6.928 1.00 0.00 O ATOM 0 H GLU A 60 -4.545 -3.482 -11.897 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.961 -4.617 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.589 -3.521 -9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.038 -3.225 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.144 -5.930 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.590 -5.687 -9.187 1.00 0.00 H new ATOM 957 N ASN A 61 -6.965 -1.346 -11.147 1.00 0.00 N ATOM 958 CA ASN A 61 -7.819 -0.173 -11.068 1.00 0.00 C ATOM 959 C ASN A 61 -8.527 0.030 -12.409 1.00 0.00 C ATOM 960 O ASN A 61 -9.745 0.191 -12.453 1.00 0.00 O ATOM 961 CB ASN A 61 -6.998 1.084 -10.772 1.00 0.00 C ATOM 962 CG ASN A 61 -7.578 1.850 -9.582 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.033 1.860 -8.490 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.712 2.491 -9.852 1.00 0.00 N ATOM 0 H ASN A 61 -6.007 -1.158 -11.442 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.539 -0.333 -10.265 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.965 0.807 -10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.983 1.728 -11.651 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.178 3.032 -9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.115 2.442 -10.788 1.00 0.00 H new ATOM 971 N PHE A 62 -7.734 0.015 -13.469 1.00 0.00 N ATOM 972 CA PHE A 62 -8.270 0.194 -14.807 1.00 0.00 C ATOM 973 C PHE A 62 -9.375 -0.824 -15.096 1.00 0.00 C ATOM 974 O PHE A 62 -10.134 -0.668 -16.052 1.00 0.00 O ATOM 975 CB PHE A 62 -7.115 -0.032 -15.786 1.00 0.00 C ATOM 976 CG PHE A 62 -7.483 -0.895 -16.993 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.750 -2.219 -16.828 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.544 -0.340 -18.235 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.092 -3.021 -17.949 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.885 -1.141 -19.355 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.153 -2.464 -19.190 1.00 0.00 C ATOM 0 H PHE A 62 -6.724 -0.118 -13.429 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.698 1.192 -14.906 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.757 0.935 -16.139 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.288 -0.503 -15.254 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.702 -2.660 -15.844 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.333 0.711 -18.367 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.304 -4.072 -17.817 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.932 -0.700 -20.340 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.414 -3.073 -20.043 1.00 0.00 H new ATOM 991 N GLU A 63 -9.429 -1.846 -14.255 1.00 0.00 N ATOM 992 CA GLU A 63 -10.428 -2.890 -14.407 1.00 0.00 C ATOM 993 C GLU A 63 -11.767 -2.434 -13.822 1.00 0.00 C ATOM 994 O GLU A 63 -12.823 -2.716 -14.384 1.00 0.00 O ATOM 995 CB GLU A 63 -9.962 -4.195 -13.760 1.00 0.00 C ATOM 996 CG GLU A 63 -9.202 -5.063 -14.764 1.00 0.00 C ATOM 997 CD GLU A 63 -10.045 -6.266 -15.197 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.214 -6.032 -15.575 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.502 -7.389 -15.139 1.00 0.00 O ATOM 0 H GLU A 63 -8.796 -1.973 -13.465 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.565 -3.081 -15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.321 -3.973 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.823 -4.744 -13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.936 -4.467 -15.637 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.269 -5.409 -14.318 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.677 -1.736 -12.698 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.867 -1.240 -12.029 1.00 0.00 C ATOM 1008 C ASP A 64 -13.510 -0.147 -12.886 1.00 0.00 C ATOM 1009 O ASP A 64 -14.734 -0.066 -12.980 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.521 -0.631 -10.669 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.415 -1.083 -9.512 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.456 -0.422 -9.307 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.036 -2.078 -8.858 1.00 0.00 O ATOM 0 H ASP A 64 -10.799 -1.503 -12.235 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.548 -2.079 -11.886 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.487 -0.880 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.577 0.455 -10.749 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.656 0.664 -13.491 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.125 1.748 -14.338 1.00 0.00 C ATOM 1020 C VAL A 65 -13.649 1.171 -15.655 1.00 0.00 C ATOM 1021 O VAL A 65 -14.108 1.912 -16.521 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.010 2.777 -14.537 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.644 2.176 -14.200 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.028 3.336 -15.962 1.00 0.00 C ATOM 0 H VAL A 65 -11.642 0.593 -13.412 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.953 2.274 -13.862 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.190 3.605 -13.851 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.869 2.928 -14.350 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.637 1.849 -13.160 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.452 1.322 -14.850 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.226 4.065 -16.077 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.884 2.523 -16.674 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.987 3.819 -16.151 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.561 -0.147 -15.763 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.021 -0.832 -16.959 1.00 0.00 C ATOM 1036 C GLY A 66 -13.768 0.016 -18.207 1.00 0.00 C ATOM 1037 O GLY A 66 -14.707 0.530 -18.813 1.00 0.00 O ATOM 0 H GLY A 66 -13.178 -0.758 -15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.508 -1.789 -17.055 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.086 -1.049 -16.872 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.495 0.136 -18.555 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.107 0.913 -19.719 1.00 0.00 C ATOM 1043 C HIS A 67 -12.840 0.386 -20.955 1.00 0.00 C ATOM 1044 O HIS A 67 -13.630 -0.553 -20.859 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.586 0.916 -19.889 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.868 1.874 -18.970 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.509 1.543 -17.674 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.445 3.155 -19.170 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.900 2.586 -17.129 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.861 3.584 -18.059 1.00 0.00 N ATOM 0 H HIS A 67 -11.719 -0.292 -18.050 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.401 1.953 -19.580 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.209 -0.092 -19.713 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.346 1.170 -20.921 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.684 0.648 -17.217 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.565 3.724 -20.080 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.504 2.637 -16.125 1.00 0.00 H new ATOM 1059 N SER A 68 -12.553 1.013 -22.086 1.00 0.00 N ATOM 1060 CA SER A 68 -13.175 0.619 -23.339 1.00 0.00 C ATOM 1061 C SER A 68 -12.190 -0.195 -24.179 1.00 0.00 C ATOM 1062 O SER A 68 -10.981 0.014 -24.100 1.00 0.00 O ATOM 1063 CB SER A 68 -13.657 1.841 -24.123 1.00 0.00 C ATOM 1064 OG SER A 68 -12.611 2.427 -24.894 1.00 0.00 O ATOM 0 H SER A 68 -11.898 1.791 -22.161 1.00 0.00 H new ATOM 0 HA SER A 68 -14.044 0.002 -23.110 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.474 1.549 -24.783 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.056 2.582 -23.430 1.00 0.00 H new ATOM 0 HG SER A 68 -12.175 3.132 -24.371 1.00 0.00 H new ATOM 1070 N THR A 69 -12.743 -1.108 -24.964 1.00 0.00 N ATOM 1071 CA THR A 69 -11.929 -1.956 -25.817 1.00 0.00 C ATOM 1072 C THR A 69 -10.938 -1.109 -26.618 1.00 0.00 C ATOM 1073 O THR A 69 -9.910 -1.613 -27.071 1.00 0.00 O ATOM 1074 CB THR A 69 -12.868 -2.785 -26.696 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.252 -3.875 -25.860 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.140 -3.451 -27.865 1.00 0.00 C ATOM 0 H THR A 69 -13.747 -1.279 -25.027 1.00 0.00 H new ATOM 0 HA THR A 69 -11.322 -2.643 -25.228 1.00 0.00 H new ATOM 0 HB THR A 69 -13.664 -2.147 -27.080 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.864 -4.463 -26.350 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.852 -4.027 -28.457 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.682 -2.686 -28.492 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.366 -4.116 -27.481 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.279 0.161 -26.768 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.433 1.082 -27.506 1.00 0.00 C ATOM 1086 C ASP A 70 -9.229 1.465 -26.642 1.00 0.00 C ATOM 1087 O ASP A 70 -8.086 1.376 -27.089 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.189 2.363 -27.859 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.439 3.322 -28.788 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.637 2.813 -29.600 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.685 4.542 -28.664 1.00 0.00 O ATOM 0 H ASP A 70 -12.131 0.575 -26.390 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.116 0.587 -28.424 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.134 2.091 -28.328 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.431 2.890 -26.936 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.527 1.885 -25.421 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.484 2.281 -24.491 1.00 0.00 C ATOM 1098 C ALA A 71 -7.477 1.139 -24.340 1.00 0.00 C ATOM 1099 O ALA A 71 -6.270 1.368 -24.328 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.116 2.683 -23.157 1.00 0.00 C ATOM 0 H ALA A 71 -10.476 1.960 -25.055 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.942 3.148 -24.870 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.334 2.980 -22.459 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.798 3.518 -23.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.667 1.837 -22.746 1.00 0.00 H new ATOM 1106 N ARG A 72 -8.015 -0.068 -24.230 1.00 0.00 N ATOM 1107 CA ARG A 72 -7.179 -1.247 -24.081 1.00 0.00 C ATOM 1108 C ARG A 72 -6.340 -1.466 -25.340 1.00 0.00 C ATOM 1109 O ARG A 72 -5.138 -1.716 -25.255 1.00 0.00 O ATOM 1110 CB ARG A 72 -8.028 -2.493 -23.818 1.00 0.00 C ATOM 1111 CG ARG A 72 -9.017 -2.251 -22.676 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.832 -3.513 -22.384 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.926 -4.659 -22.154 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.276 -5.941 -22.328 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.516 -6.248 -22.735 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.388 -6.917 -22.095 1.00 0.00 N ATOM 0 H ARG A 72 -9.018 -0.254 -24.241 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.521 -1.082 -23.228 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.571 -2.765 -24.723 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.380 -3.334 -23.571 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.477 -1.947 -21.780 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.688 -1.432 -22.937 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.461 -3.355 -21.508 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.498 -3.727 -23.220 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.975 -4.461 -21.843 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.193 -5.506 -22.912 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.782 -7.224 -22.867 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.444 -6.685 -21.785 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.656 -7.892 -22.228 1.00 0.00 H new ATOM 1130 N GLU A 73 -7.005 -1.364 -26.481 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.335 -1.548 -27.758 1.00 0.00 C ATOM 1132 C GLU A 73 -5.238 -0.495 -27.938 1.00 0.00 C ATOM 1133 O GLU A 73 -4.145 -0.808 -28.408 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.336 -1.500 -28.913 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.873 -2.379 -30.077 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.036 -3.191 -30.649 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.162 -2.647 -30.646 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.774 -4.335 -31.079 1.00 0.00 O ATOM 0 H GLU A 73 -8.001 -1.156 -26.548 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.870 -2.534 -27.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.313 -1.835 -28.566 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.454 -0.471 -29.254 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.442 -1.755 -30.859 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.087 -3.053 -29.738 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.569 0.728 -27.556 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.626 1.829 -27.669 1.00 0.00 C ATOM 1147 C LEU A 74 -3.406 1.540 -26.795 1.00 0.00 C ATOM 1148 O LEU A 74 -2.272 1.786 -27.204 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.313 3.158 -27.347 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.669 3.994 -26.239 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.537 4.861 -26.791 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.719 4.825 -25.500 1.00 0.00 C ATOM 0 H LEU A 74 -6.477 0.982 -27.168 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.269 1.922 -28.695 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.344 3.758 -28.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.346 2.952 -27.066 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.226 3.313 -25.512 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.098 5.444 -25.982 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.773 4.223 -27.235 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.932 5.535 -27.551 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.235 5.410 -24.718 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.212 5.497 -26.203 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.459 4.162 -25.052 1.00 0.00 H new ATOM 1164 N SER A 75 -3.677 1.021 -25.606 1.00 0.00 N ATOM 1165 CA SER A 75 -2.615 0.696 -24.671 1.00 0.00 C ATOM 1166 C SER A 75 -1.580 -0.207 -25.347 1.00 0.00 C ATOM 1167 O SER A 75 -0.405 -0.191 -24.983 1.00 0.00 O ATOM 1168 CB SER A 75 -3.172 0.020 -23.417 1.00 0.00 C ATOM 1169 OG SER A 75 -3.458 -1.359 -23.638 1.00 0.00 O ATOM 0 H SER A 75 -4.618 0.818 -25.269 1.00 0.00 H new ATOM 0 HA SER A 75 -2.133 1.625 -24.366 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.453 0.116 -22.603 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.080 0.533 -23.101 1.00 0.00 H new ATOM 0 HG SER A 75 -3.959 -1.459 -24.474 1.00 0.00 H new ATOM 1175 N LYS A 76 -2.056 -0.974 -26.317 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.187 -1.881 -27.047 1.00 0.00 C ATOM 1177 C LYS A 76 -0.037 -1.088 -27.671 1.00 0.00 C ATOM 1178 O LYS A 76 1.097 -1.563 -27.715 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.994 -2.695 -28.060 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.038 -1.992 -29.418 1.00 0.00 C ATOM 1181 CD LYS A 76 -0.832 -2.379 -30.275 1.00 0.00 C ATOM 1182 CE LYS A 76 -0.670 -1.421 -31.457 1.00 0.00 C ATOM 1183 NZ LYS A 76 -0.689 -2.167 -32.736 1.00 0.00 N ATOM 0 H LYS A 76 -3.032 -0.986 -26.614 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.741 -2.609 -26.370 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.550 -3.684 -28.173 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.008 -2.841 -27.689 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.958 -2.256 -29.939 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.053 -0.912 -29.272 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.071 -2.366 -29.665 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.954 -3.398 -30.642 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.473 -0.683 -31.448 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.268 -0.873 -31.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.578 -1.502 -33.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.092 -2.854 -32.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.594 -2.670 -32.831 1.00 0.00 H new ATOM 1197 N THR A 77 -0.369 0.106 -28.139 1.00 0.00 N ATOM 1198 CA THR A 77 0.623 0.970 -28.759 1.00 0.00 C ATOM 1199 C THR A 77 1.533 1.585 -27.694 1.00 0.00 C ATOM 1200 O THR A 77 2.639 2.029 -28.001 1.00 0.00 O ATOM 1201 CB THR A 77 -0.117 2.008 -29.602 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.913 2.633 -30.364 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.696 3.144 -28.756 1.00 0.00 C ATOM 0 H THR A 77 -1.311 0.496 -28.102 1.00 0.00 H new ATOM 0 HA THR A 77 1.283 0.407 -29.419 1.00 0.00 H new ATOM 0 HB THR A 77 -0.921 1.521 -30.155 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.521 3.321 -30.942 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.211 3.854 -29.403 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.401 2.736 -28.032 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.111 3.653 -28.229 1.00 0.00 H new ATOM 1211 N PHE A 78 1.035 1.593 -26.467 1.00 0.00 N ATOM 1212 CA PHE A 78 1.788 2.147 -25.356 1.00 0.00 C ATOM 1213 C PHE A 78 2.624 1.067 -24.668 1.00 0.00 C ATOM 1214 O PHE A 78 3.470 1.372 -23.829 1.00 0.00 O ATOM 1215 CB PHE A 78 0.771 2.703 -24.357 1.00 0.00 C ATOM 1216 CG PHE A 78 0.017 3.935 -24.859 1.00 0.00 C ATOM 1217 CD1 PHE A 78 0.282 4.439 -26.094 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.919 4.528 -24.070 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -0.418 5.584 -26.560 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.619 5.672 -24.536 1.00 0.00 C ATOM 1221 CZ PHE A 78 -1.354 6.176 -25.770 1.00 0.00 C ATOM 0 H PHE A 78 0.117 1.224 -26.218 1.00 0.00 H new ATOM 0 HA PHE A 78 2.467 2.920 -25.716 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.050 1.922 -24.115 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.288 2.958 -23.432 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.025 3.969 -26.721 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.130 4.129 -23.089 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.207 5.984 -27.541 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.363 6.142 -23.909 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.887 7.047 -26.123 1.00 0.00 H new ATOM 1231 N ILE A 79 2.357 -0.175 -25.046 1.00 0.00 N ATOM 1232 CA ILE A 79 3.074 -1.302 -24.474 1.00 0.00 C ATOM 1233 C ILE A 79 4.562 -1.175 -24.803 1.00 0.00 C ATOM 1234 O ILE A 79 4.945 -1.172 -25.973 1.00 0.00 O ATOM 1235 CB ILE A 79 2.453 -2.622 -24.937 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.503 -3.183 -23.876 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.536 -3.630 -25.329 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.141 -4.638 -24.180 1.00 0.00 C ATOM 0 H ILE A 79 1.654 -0.425 -25.741 1.00 0.00 H new ATOM 0 HA ILE A 79 2.986 -1.297 -23.388 1.00 0.00 H new ATOM 0 HB ILE A 79 1.859 -2.426 -25.829 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.970 -3.118 -22.893 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.596 -2.579 -23.838 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.068 -4.559 -25.654 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.136 -3.222 -26.143 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.177 -3.828 -24.470 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.465 -5.013 -23.411 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.652 -4.696 -25.153 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.047 -5.243 -24.193 1.00 0.00 H new ATOM 1250 N ILE A 80 5.361 -1.072 -23.752 1.00 0.00 N ATOM 1251 CA ILE A 80 6.799 -0.944 -23.914 1.00 0.00 C ATOM 1252 C ILE A 80 7.468 -2.277 -23.567 1.00 0.00 C ATOM 1253 O ILE A 80 8.531 -2.598 -24.095 1.00 0.00 O ATOM 1254 CB ILE A 80 7.327 0.240 -23.100 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.473 0.473 -21.853 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.432 1.496 -23.967 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.142 1.474 -20.909 1.00 0.00 C ATOM 0 H ILE A 80 5.040 -1.075 -22.784 1.00 0.00 H new ATOM 0 HA ILE A 80 7.047 -0.723 -24.952 1.00 0.00 H new ATOM 0 HB ILE A 80 8.334 -0.001 -22.759 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.490 0.844 -22.145 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.316 -0.472 -21.334 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.809 2.323 -23.365 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.114 1.310 -24.796 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.447 1.752 -24.358 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.514 1.622 -20.031 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.114 1.089 -20.600 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.276 2.426 -21.423 1.00 0.00 H new ATOM 1269 N GLY A 81 6.816 -3.016 -22.680 1.00 0.00 N ATOM 1270 CA GLY A 81 7.334 -4.304 -22.256 1.00 0.00 C ATOM 1271 C GLY A 81 6.267 -5.105 -21.507 1.00 0.00 C ATOM 1272 O GLY A 81 5.072 -4.898 -21.714 1.00 0.00 O ATOM 0 H GLY A 81 5.934 -2.746 -22.244 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.673 -4.867 -23.125 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.202 -4.157 -21.613 1.00 0.00 H new ATOM 1276 N GLU A 82 6.736 -6.002 -20.652 1.00 0.00 N ATOM 1277 CA GLU A 82 5.838 -6.835 -19.871 1.00 0.00 C ATOM 1278 C GLU A 82 6.492 -7.224 -18.545 1.00 0.00 C ATOM 1279 O GLU A 82 7.716 -7.217 -18.427 1.00 0.00 O ATOM 1280 CB GLU A 82 5.417 -8.077 -20.660 1.00 0.00 C ATOM 1281 CG GLU A 82 5.428 -7.801 -22.165 1.00 0.00 C ATOM 1282 CD GLU A 82 5.066 -9.060 -22.956 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.816 -10.051 -22.820 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.048 -9.003 -23.680 1.00 0.00 O ATOM 0 H GLU A 82 7.728 -6.170 -20.483 1.00 0.00 H new ATOM 0 HA GLU A 82 4.938 -6.260 -19.654 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.092 -8.902 -20.433 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.419 -8.387 -20.351 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.720 -7.005 -22.398 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.414 -7.449 -22.467 1.00 0.00 H new ATOM 1291 N LEU A 83 5.647 -7.553 -17.579 1.00 0.00 N ATOM 1292 CA LEU A 83 6.128 -7.944 -16.265 1.00 0.00 C ATOM 1293 C LEU A 83 6.828 -9.301 -16.366 1.00 0.00 C ATOM 1294 O LEU A 83 6.214 -10.292 -16.759 1.00 0.00 O ATOM 1295 CB LEU A 83 4.987 -7.914 -15.245 1.00 0.00 C ATOM 1296 CG LEU A 83 5.397 -8.021 -13.777 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.901 -8.272 -13.644 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.951 -6.785 -12.992 1.00 0.00 C ATOM 0 H LEU A 83 4.632 -7.557 -17.680 1.00 0.00 H new ATOM 0 HA LEU A 83 6.867 -7.230 -15.902 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.431 -6.986 -15.379 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.303 -8.732 -15.471 1.00 0.00 H new ATOM 0 HG LEU A 83 4.887 -8.881 -13.342 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.166 -8.344 -12.589 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.160 -9.203 -14.148 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.449 -7.448 -14.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.255 -6.886 -11.950 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.414 -5.896 -13.420 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.866 -6.692 -13.046 1.00 0.00 H new ATOM 1310 N HIS A 84 8.101 -9.302 -16.002 1.00 0.00 N ATOM 1311 CA HIS A 84 8.891 -10.522 -16.047 1.00 0.00 C ATOM 1312 C HIS A 84 8.338 -11.528 -15.035 1.00 0.00 C ATOM 1313 O HIS A 84 7.305 -11.286 -14.415 1.00 0.00 O ATOM 1314 CB HIS A 84 10.375 -10.216 -15.830 1.00 0.00 C ATOM 1315 CG HIS A 84 11.279 -10.759 -16.911 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.993 -11.212 -18.166 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.647 -10.879 -16.753 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 12.127 -11.586 -18.744 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 13.155 -11.382 -17.869 1.00 0.00 N flip ATOM 0 H HIS A 84 8.606 -8.478 -15.675 1.00 0.00 H new ATOM 0 HA HIS A 84 8.814 -10.974 -17.036 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.507 -9.136 -15.769 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.684 -10.630 -14.870 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.207 -10.609 -15.870 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.221 -11.986 -19.743 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.140 -11.581 -18.043 1.00 0.00 H new ATOM 1328 N PRO A 85 9.070 -12.666 -14.898 1.00 0.00 N ATOM 1329 CA PRO A 85 8.665 -13.709 -13.973 1.00 0.00 C ATOM 1330 C PRO A 85 8.957 -13.305 -12.527 1.00 0.00 C ATOM 1331 O PRO A 85 8.824 -14.117 -11.612 1.00 0.00 O ATOM 1332 CB PRO A 85 9.434 -14.944 -14.411 1.00 0.00 C ATOM 1333 CG PRO A 85 10.586 -14.438 -15.265 1.00 0.00 C ATOM 1334 CD PRO A 85 10.300 -12.986 -15.617 1.00 0.00 C ATOM 0 HA PRO A 85 7.591 -13.896 -13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.802 -15.501 -13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.795 -15.621 -14.979 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.528 -14.521 -14.724 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.684 -15.038 -16.169 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.119 -12.335 -15.310 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.176 -12.856 -16.692 1.00 0.00 H new ATOM 1342 N ASP A 86 9.352 -12.051 -12.365 1.00 0.00 N ATOM 1343 CA ASP A 86 9.665 -11.529 -11.045 1.00 0.00 C ATOM 1344 C ASP A 86 8.363 -11.220 -10.302 1.00 0.00 C ATOM 1345 O ASP A 86 8.329 -11.234 -9.072 1.00 0.00 O ATOM 1346 CB ASP A 86 10.471 -10.232 -11.143 1.00 0.00 C ATOM 1347 CG ASP A 86 10.083 -9.150 -10.133 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.436 -9.328 -8.948 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.440 -8.172 -10.570 1.00 0.00 O ATOM 0 H ASP A 86 9.463 -11.381 -13.126 1.00 0.00 H new ATOM 0 HA ASP A 86 10.252 -12.280 -10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.527 -10.468 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.357 -9.827 -12.148 1.00 0.00 H new ATOM 1354 N ASP A 87 7.325 -10.950 -11.080 1.00 0.00 N ATOM 1355 CA ASP A 87 6.026 -10.640 -10.510 1.00 0.00 C ATOM 1356 C ASP A 87 4.940 -10.889 -11.560 1.00 0.00 C ATOM 1357 O ASP A 87 4.042 -10.067 -11.737 1.00 0.00 O ATOM 1358 CB ASP A 87 5.946 -9.171 -10.088 1.00 0.00 C ATOM 1359 CG ASP A 87 6.605 -8.848 -8.746 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.923 -9.044 -7.715 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.775 -8.412 -8.778 1.00 0.00 O ATOM 0 H ASP A 87 7.358 -10.940 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 87 5.881 -11.275 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.412 -8.560 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.897 -8.879 -10.040 1.00 0.00 H new ATOM 1366 N ARG A 88 5.059 -12.026 -12.228 1.00 0.00 N ATOM 1367 CA ARG A 88 4.101 -12.394 -13.257 1.00 0.00 C ATOM 1368 C ARG A 88 2.877 -13.062 -12.626 1.00 0.00 C ATOM 1369 O ARG A 88 1.785 -12.495 -12.631 1.00 0.00 O ATOM 1370 CB ARG A 88 4.725 -13.348 -14.277 1.00 0.00 C ATOM 1371 CG ARG A 88 4.879 -12.671 -15.639 1.00 0.00 C ATOM 1372 CD ARG A 88 6.001 -13.320 -16.451 1.00 0.00 C ATOM 1373 NE ARG A 88 5.430 -14.075 -17.589 1.00 0.00 N ATOM 1374 CZ ARG A 88 6.107 -14.985 -18.303 1.00 0.00 C ATOM 1375 NH1 ARG A 88 7.382 -15.260 -17.999 1.00 0.00 N ATOM 1376 NH2 ARG A 88 5.507 -15.620 -19.320 1.00 0.00 N ATOM 0 H ARG A 88 5.805 -12.705 -12.077 1.00 0.00 H new ATOM 0 HA ARG A 88 3.798 -11.481 -13.770 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.700 -13.681 -13.920 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.102 -14.237 -14.377 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.941 -12.738 -16.190 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.092 -11.611 -15.500 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.685 -12.555 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.582 -13.988 -15.815 1.00 0.00 H new ATOM 0 HE ARG A 88 4.460 -13.891 -17.846 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.837 -14.777 -17.224 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.898 -15.952 -18.542 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.536 -15.410 -19.550 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.022 -16.313 -19.864 1.00 0.00 H new ATOM 1390 N SER A 89 3.101 -14.256 -12.098 1.00 0.00 N ATOM 1391 CA SER A 89 2.030 -15.007 -11.464 1.00 0.00 C ATOM 1392 C SER A 89 1.593 -14.309 -10.175 1.00 0.00 C ATOM 1393 O SER A 89 1.241 -14.967 -9.197 1.00 0.00 O ATOM 1394 CB SER A 89 2.463 -16.443 -11.170 1.00 0.00 C ATOM 1395 OG SER A 89 1.368 -17.261 -10.768 1.00 0.00 O ATOM 0 H SER A 89 4.008 -14.722 -12.096 1.00 0.00 H new ATOM 0 HA SER A 89 1.186 -15.045 -12.152 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.927 -16.870 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.220 -16.440 -10.385 1.00 0.00 H new ATOM 0 HG SER A 89 0.905 -16.841 -10.013 1.00 0.00 H new ATOM 1401 N LYS A 90 1.629 -12.984 -10.215 1.00 0.00 N ATOM 1402 CA LYS A 90 1.241 -12.191 -9.061 1.00 0.00 C ATOM 1403 C LYS A 90 0.314 -11.060 -9.514 1.00 0.00 C ATOM 1404 O LYS A 90 -0.621 -10.697 -8.802 1.00 0.00 O ATOM 1405 CB LYS A 90 2.479 -11.705 -8.305 1.00 0.00 C ATOM 1406 CG LYS A 90 2.470 -12.208 -6.860 1.00 0.00 C ATOM 1407 CD LYS A 90 1.638 -11.289 -5.963 1.00 0.00 C ATOM 1408 CE LYS A 90 0.937 -12.085 -4.862 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.870 -12.361 -3.748 1.00 0.00 N ATOM 0 H LYS A 90 1.921 -12.441 -11.028 1.00 0.00 H new ATOM 0 HA LYS A 90 0.680 -12.799 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.379 -12.055 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.511 -10.616 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.065 -13.219 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.492 -12.261 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.282 -10.532 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.897 -10.762 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.076 -11.527 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.559 -13.023 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.378 -12.902 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.678 -12.912 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.211 -11.463 -3.350 1.00 0.00 H new ATOM 1423 N ILE A 91 0.607 -10.536 -10.695 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.189 -9.454 -11.251 1.00 0.00 C ATOM 1425 C ILE A 91 -0.723 -9.872 -12.623 1.00 0.00 C ATOM 1426 O ILE A 91 -1.857 -9.551 -12.975 1.00 0.00 O ATOM 1427 CB ILE A 91 0.618 -8.153 -11.276 1.00 0.00 C ATOM 1428 CG1 ILE A 91 1.007 -7.777 -12.707 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.836 -8.247 -10.356 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.589 -6.364 -12.763 1.00 0.00 C ATOM 0 H ILE A 91 1.384 -10.840 -11.282 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.054 -9.254 -10.619 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.013 -7.351 -10.893 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.737 -8.490 -13.089 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.132 -7.840 -13.354 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.392 -7.310 -10.392 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.506 -8.434 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.479 -9.063 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.857 -6.122 -13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.847 -5.651 -12.404 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.478 -6.311 -12.134 1.00 0.00 H new ATOM 1442 N THR A 92 0.119 -10.583 -13.359 1.00 0.00 N ATOM 1443 CA THR A 92 -0.254 -11.049 -14.683 1.00 0.00 C ATOM 1444 C THR A 92 -1.727 -11.464 -14.708 1.00 0.00 C ATOM 1445 O THR A 92 -2.392 -11.347 -15.735 1.00 0.00 O ATOM 1446 CB THR A 92 0.701 -12.176 -15.074 1.00 0.00 C ATOM 1447 OG1 THR A 92 0.597 -12.245 -16.495 1.00 0.00 O ATOM 1448 CG2 THR A 92 0.216 -13.548 -14.599 1.00 0.00 C ATOM 0 H THR A 92 1.059 -10.848 -13.063 1.00 0.00 H new ATOM 0 HA THR A 92 -0.161 -10.254 -15.422 1.00 0.00 H new ATOM 0 HB THR A 92 1.687 -11.975 -14.656 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.451 -11.984 -16.899 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.931 -14.312 -14.903 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.127 -13.546 -13.513 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.756 -13.764 -15.042 1.00 0.00 H new ATOM 1456 N LYS A 93 -2.193 -11.940 -13.561 1.00 0.00 N ATOM 1457 CA LYS A 93 -3.574 -12.373 -13.438 1.00 0.00 C ATOM 1458 C LYS A 93 -4.375 -11.303 -12.694 1.00 0.00 C ATOM 1459 O LYS A 93 -3.942 -10.810 -11.653 1.00 0.00 O ATOM 1460 CB LYS A 93 -3.646 -13.757 -12.789 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.045 -14.359 -12.932 1.00 0.00 C ATOM 1462 CD LYS A 93 -5.190 -15.622 -12.081 1.00 0.00 C ATOM 1463 CE LYS A 93 -6.630 -15.792 -11.594 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.672 -15.873 -10.117 1.00 0.00 N ATOM 0 H LYS A 93 -1.638 -12.035 -12.710 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.027 -12.484 -14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.913 -14.418 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.385 -13.681 -11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.793 -13.625 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.237 -14.598 -13.978 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.894 -16.494 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.517 -15.568 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.237 -14.953 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.062 -16.695 -12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.657 -15.988 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.110 -16.687 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.279 -15.000 -9.710 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.560 -10.967 -13.271 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.425 -9.964 -12.675 1.00 0.00 C ATOM 1480 C PRO A 94 -7.144 -10.523 -11.444 1.00 0.00 C ATOM 1481 O PRO A 94 -7.119 -11.728 -11.200 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.378 -9.556 -13.785 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.317 -10.668 -14.819 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.104 -11.529 -14.503 1.00 0.00 C ATOM 0 HA PRO A 94 -5.874 -9.099 -12.304 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.392 -9.433 -13.403 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.084 -8.601 -14.221 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.228 -11.266 -14.791 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.239 -10.252 -15.824 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.384 -12.574 -14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.373 -11.494 -15.311 1.00 0.00 H new ATOM 1492 N SER A 95 -7.768 -9.620 -10.703 1.00 0.00 N ATOM 1493 CA SER A 95 -8.493 -10.007 -9.504 1.00 0.00 C ATOM 1494 C SER A 95 -9.710 -9.099 -9.312 1.00 0.00 C ATOM 1495 O SER A 95 -9.772 -8.010 -9.881 1.00 0.00 O ATOM 1496 CB SER A 95 -7.589 -9.951 -8.271 1.00 0.00 C ATOM 1497 OG SER A 95 -7.923 -10.957 -7.319 1.00 0.00 O ATOM 0 H SER A 95 -7.787 -8.621 -10.909 1.00 0.00 H new ATOM 0 HA SER A 95 -8.831 -11.036 -9.626 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.550 -10.072 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.672 -8.969 -7.805 1.00 0.00 H new ATOM 0 HG SER A 95 -7.323 -10.889 -6.547 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.646 -9.580 -8.507 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.857 -8.826 -8.234 1.00 0.00 C ATOM 1505 C GLU A 96 -11.809 -8.240 -6.821 1.00 0.00 C ATOM 1506 O GLU A 96 -10.891 -8.532 -6.054 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.100 -9.696 -8.424 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.127 -10.841 -7.410 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.486 -10.924 -6.711 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -14.628 -10.251 -5.667 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.351 -11.658 -7.236 1.00 0.00 O ATOM 0 H GLU A 96 -10.590 -10.483 -8.035 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.918 -8.004 -8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.996 -9.086 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.114 -10.101 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.916 -11.784 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.341 -10.694 -6.669 1.00 0.00 H new ATOM 1518 N SER A 97 -12.807 -7.423 -6.519 1.00 0.00 N ATOM 1519 CA SER A 97 -12.889 -6.793 -5.211 1.00 0.00 C ATOM 1520 C SER A 97 -14.354 -6.555 -4.838 1.00 0.00 C ATOM 1521 O SER A 97 -15.155 -6.151 -5.679 1.00 0.00 O ATOM 1522 CB SER A 97 -12.113 -5.476 -5.184 1.00 0.00 C ATOM 1523 OG SER A 97 -11.895 -5.011 -3.854 1.00 0.00 O ATOM 0 H SER A 97 -13.566 -7.182 -7.157 1.00 0.00 H new ATOM 0 HA SER A 97 -12.438 -7.463 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.153 -5.611 -5.683 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.661 -4.721 -5.747 1.00 0.00 H new ATOM 0 HG SER A 97 -11.395 -4.169 -3.880 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.658 -6.814 -3.574 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.012 -6.631 -3.078 1.00 0.00 C ATOM 1531 C ILE A 98 -16.085 -5.335 -2.269 1.00 0.00 C ATOM 1532 O ILE A 98 -15.172 -5.024 -1.505 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.468 -7.867 -2.301 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.993 -7.991 -2.314 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.907 -7.859 -0.878 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -18.457 -8.935 -3.426 1.00 0.00 C ATOM 0 H ILE A 98 -13.990 -7.149 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.711 -6.528 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.068 -8.750 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -18.340 -8.362 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -18.440 -7.007 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.247 -8.749 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.818 -7.853 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.256 -6.969 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.545 -9.005 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -18.130 -8.549 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -18.028 -9.924 -3.266 1.00 0.00 H new ATOM 1548 N ILE A 99 -17.178 -4.612 -2.465 1.00 0.00 N ATOM 1549 CA ILE A 99 -17.381 -3.357 -1.765 1.00 0.00 C ATOM 1550 C ILE A 99 -18.351 -3.578 -0.602 1.00 0.00 C ATOM 1551 O ILE A 99 -18.870 -4.678 -0.424 1.00 0.00 O ATOM 1552 CB ILE A 99 -17.827 -2.264 -2.738 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.136 -2.649 -3.430 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -16.720 -1.940 -3.743 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -19.784 -1.432 -4.093 1.00 0.00 C ATOM 0 H ILE A 99 -17.933 -4.873 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.443 -3.005 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.019 -1.355 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -18.943 -3.416 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -19.823 -3.080 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -17.063 -1.160 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -15.835 -1.593 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -16.473 -2.835 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -20.713 -1.733 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -19.998 -0.676 -3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.104 -1.018 -4.837 1.00 0.00 H new ATOM 1567 N THR A 100 -18.565 -2.514 0.160 1.00 0.00 N ATOM 1568 CA THR A 100 -19.463 -2.579 1.299 1.00 0.00 C ATOM 1569 C THR A 100 -20.584 -1.547 1.153 1.00 0.00 C ATOM 1570 O THR A 100 -20.353 -0.436 0.683 1.00 0.00 O ATOM 1571 CB THR A 100 -18.630 -2.395 2.570 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.527 -2.725 3.625 1.00 0.00 O ATOM 1573 CG2 THR A 100 -18.272 -0.930 2.827 1.00 0.00 C ATOM 0 H THR A 100 -18.131 -1.603 0.010 1.00 0.00 H new ATOM 0 HA THR A 100 -19.960 -3.548 1.356 1.00 0.00 H new ATOM 0 HB THR A 100 -17.716 -2.984 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.067 -2.634 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.681 -0.855 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.694 -0.544 1.988 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.186 -0.346 2.937 1.00 0.00 H new ATOM 1581 N THR A 101 -21.775 -1.955 1.568 1.00 0.00 N ATOM 1582 CA THR A 101 -22.933 -1.081 1.489 1.00 0.00 C ATOM 1583 C THR A 101 -22.944 -0.103 2.666 1.00 0.00 C ATOM 1584 O THR A 101 -22.381 -0.390 3.722 1.00 0.00 O ATOM 1585 CB THR A 101 -24.184 -1.959 1.417 1.00 0.00 C ATOM 1586 OG1 THR A 101 -25.247 -1.032 1.209 1.00 0.00 O ATOM 1587 CG2 THR A 101 -24.518 -2.614 2.758 1.00 0.00 C ATOM 0 H THR A 101 -21.962 -2.878 1.959 1.00 0.00 H new ATOM 0 HA THR A 101 -22.901 -0.462 0.593 1.00 0.00 H new ATOM 0 HB THR A 101 -24.042 -2.732 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 101 -26.097 -1.517 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 101 -25.414 -3.226 2.651 1.00 0.00 H new ATOM 0 HG22 THR A 101 -23.685 -3.242 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 101 -24.693 -1.841 3.507 1.00 0.00 H new ATOM 1595 N ILE A 102 -23.592 1.032 2.446 1.00 0.00 N ATOM 1596 CA ILE A 102 -23.684 2.053 3.475 1.00 0.00 C ATOM 1597 C ILE A 102 -25.117 2.110 4.004 1.00 0.00 C ATOM 1598 O ILE A 102 -26.056 1.724 3.309 1.00 0.00 O ATOM 1599 CB ILE A 102 -23.168 3.393 2.947 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -21.682 3.311 2.593 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -23.461 4.522 3.939 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -21.486 2.785 1.170 1.00 0.00 C ATOM 0 H ILE A 102 -24.058 1.267 1.570 1.00 0.00 H new ATOM 0 HA ILE A 102 -23.043 1.802 4.320 1.00 0.00 H new ATOM 0 HB ILE A 102 -23.703 3.625 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -21.227 4.297 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -21.172 2.657 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -23.084 5.464 3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -24.537 4.599 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -22.971 4.308 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -20.421 2.736 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -21.920 1.789 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -21.977 3.455 0.464 1.00 0.00 H new ATOM 1614 N ASP A 103 -25.243 2.595 5.230 1.00 0.00 N ATOM 1615 CA ASP A 103 -26.547 2.707 5.861 1.00 0.00 C ATOM 1616 C ASP A 103 -26.621 4.024 6.638 1.00 0.00 C ATOM 1617 O ASP A 103 -25.635 4.754 6.724 1.00 0.00 O ATOM 1618 CB ASP A 103 -26.783 1.562 6.846 1.00 0.00 C ATOM 1619 CG ASP A 103 -25.558 1.151 7.666 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -25.292 1.842 8.675 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -24.915 0.157 7.267 1.00 0.00 O ATOM 0 H ASP A 103 -24.463 2.915 5.804 1.00 0.00 H new ATOM 0 HA ASP A 103 -27.305 2.670 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -27.580 1.851 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -27.138 0.693 6.292 1.00 0.00 H new ATOM 1626 N SER A 104 -27.799 4.285 7.184 1.00 0.00 N ATOM 1627 CA SER A 104 -28.015 5.501 7.952 1.00 0.00 C ATOM 1628 C SER A 104 -27.751 6.727 7.076 1.00 0.00 C ATOM 1629 O SER A 104 -26.996 6.650 6.108 1.00 0.00 O ATOM 1630 CB SER A 104 -27.123 5.533 9.194 1.00 0.00 C ATOM 1631 OG SER A 104 -27.145 6.805 9.836 1.00 0.00 O ATOM 0 H SER A 104 -28.614 3.676 7.110 1.00 0.00 H new ATOM 0 HA SER A 104 -29.053 5.517 8.283 1.00 0.00 H new ATOM 0 HB2 SER A 104 -27.452 4.767 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 104 -26.099 5.288 8.911 1.00 0.00 H new ATOM 0 HG SER A 104 -26.564 6.783 10.625 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.046 5.257 -18.000 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.630 7.140 -19.118 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.857 4.969 -21.214 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.574 3.181 -16.880 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.089 5.700 -14.775 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.644 5.913 -19.780 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.783 6.601 -20.079 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.933 6.738 -21.541 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.828 6.193 -22.141 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.024 5.692 -21.049 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.506 6.117 -23.632 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.135 7.337 -22.244 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.331 6.398 -22.199 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.936 4.942 -22.341 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.273 4.143 -21.449 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.249 4.592 -23.319 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.536 4.314 -18.847 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.162 4.313 -20.202 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.984 3.492 -20.422 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.665 2.936 -19.198 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.606 3.478 -18.246 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.327 3.222 -21.777 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.799 1.864 -18.881 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.494 1.637 -19.260 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.457 4.582 -16.219 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.429 3.688 -15.945 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.339 3.364 -14.504 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.341 4.083 -13.919 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.006 4.856 -14.978 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.321 2.373 -13.887 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.695 4.115 -12.562 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.737 4.168 -11.562 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.574 6.193 -17.115 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.835 6.320 -15.747 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.949 7.200 -15.506 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.342 7.634 -16.716 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.531 6.970 -17.730 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.596 7.536 -14.170 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.364 8.709 -16.991 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.735 8.100 -17.155 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.407 8.551 -18.431 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.652 8.507 -18.479 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.695 8.964 -19.377 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.433 6.067 -24.202 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.909 5.227 -23.830 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -7.945 7.003 -23.929 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.084 3.251 -22.561 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.856 2.239 -21.764 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.572 3.983 -21.973 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.085 2.681 -12.868 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.410 2.368 -14.485 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.751 1.371 -13.873 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.497 6.687 -13.494 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.652 7.757 -14.323 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.103 8.405 -13.735 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.974 0.743 -18.915 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.982 2.351 -19.904 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.042 4.192 -10.516 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.679 4.186 -11.822 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.025 6.662 -22.997 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.861 6.536 -21.257 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.880 7.554 -23.281 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.397 8.285 -21.775 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.357 8.372 -16.302 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.651 7.013 -17.154 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.092 9.257 -17.893 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.374 9.428 -16.172 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.446 7.751 -19.476 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.450 4.908 -22.213 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.812 2.496 -16.538 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.373 5.888 -13.750 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.231 1.098 -18.237 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.750 4.098 -12.287 1.00 0.00 H new