USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 ASN : amide:sc= -1.52 K(o=-1.2,f=-8!) USER MOD Set 1.2: A 139 TYR OH : rot -177:sc= 0.29 USER MOD Set 2.1: A 138 HIS : no HD1:sc= -0.0711! K(o=0.14!,f=-1.8) USER MOD Set 2.2: A 141 GLN : amide:sc= 0.214! K(o=0.14!,f=-0.79) USER MOD Set 3.1: A 81 MET CE :methyl 151:sc= -0.917 (180deg=-2.48!) USER MOD Set 3.2: A 113 SER OG : rot 94:sc= 0.927 USER MOD Set 3.3: A 115 LYS NZ :NH3+ -173:sc= -0.37 (180deg=-0.0806) USER MOD Set 4.1: A 90 SER OG : rot 180:sc= -0.061 USER MOD Set 4.2: A 92 THR OG1 : rot 36:sc= 0.594 USER MOD Set 5.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 77 GLN : amide:sc= 0.0193 K(o=0.019,f=-4.9!) USER MOD Set 6.1: A 29 TYR OH : rot -154:sc= 0.00489 USER MOD Set 6.2: A 31 SER OG : rot 14:sc= 2.02 USER MOD Set 6.3: A 108 TYR OH : rot -19:sc= 1.24 USER MOD Single : A 30 CYS SG : rot 17:sc= 0.966 USER MOD Single : A 32 ASN : amide:sc= 0.0668 K(o=0.067,f=-3.1!) USER MOD Single : A 35 HIS : +bothHN:sc= 0.778 K(o=0.78,f=-6.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 48 THR OG1 : rot -120:sc= -0.411 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.062) USER MOD Single : A 55 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-2.5!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0482 K(o=-0.048,f=-2.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 141:sc= 1.17 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0196 (180deg=-0.213) USER MOD Single : A 72 SER OG : rot -60:sc= 1.07 USER MOD Single : A 73 THR OG1 : rot -55:sc= 0.221 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 88 TYR OH : rot 172:sc= 0.86 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.0609 K(o=0.061,f=-3.4!) USER MOD Single : A 97 CYS SG : rot 41:sc= -2.3! USER MOD Single : A 107 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 109 ASN : amide:sc= 0.0646 K(o=0.065,f=-3.2!) USER MOD Single : A 110 THR OG1 : rot -96:sc= 0.812 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HE2:sc= 0.703 K(o=0.7,f=-3!) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= 0.123 (180deg=0.0668) USER MOD Single : A 120 ASN : amide:sc= -0.0941 K(o=-0.094,f=-0.75) USER MOD Single : A 126 LYS NZ :NH3+ 174:sc=-0.00359 (180deg=-0.0566) USER MOD Single : A 127 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0167) USER MOD Single : A 128 ASN : amide:sc=-0.00475 X(o=-0.0047,f=-0.25) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 CYS SG : rot -170:sc= -0.748 USER MOD Single : A 132 LYS NZ :NH3+ 149:sc= -2.23! (180deg=-4.53!) USER MOD Single : A 137 THR OG1 : rot 164:sc= 0.468 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 3.522 -4.463 11.850 1.00 0.00 N ATOM 12 CA ALA A 26 3.634 -4.844 10.426 1.00 0.00 C ATOM 13 C ALA A 26 4.185 -3.722 9.543 1.00 0.00 C ATOM 14 O ALA A 26 3.661 -2.618 9.491 1.00 0.00 O ATOM 15 CB ALA A 26 2.301 -5.357 9.879 1.00 0.00 C ATOM 0 HA ALA A 26 4.361 -5.655 10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.418 -5.628 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.987 -6.233 10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.546 -4.576 9.969 1.00 0.00 H new ATOM 16 N LEU A 27 5.189 -4.134 8.779 1.00 0.00 N ATOM 17 CA LEU A 27 5.910 -3.258 7.827 1.00 0.00 C ATOM 18 C LEU A 27 5.732 -3.713 6.379 1.00 0.00 C ATOM 19 O LEU A 27 5.782 -4.910 6.076 1.00 0.00 O ATOM 20 CB LEU A 27 7.403 -3.251 8.162 1.00 0.00 C ATOM 21 CG LEU A 27 7.703 -2.630 9.535 1.00 0.00 C ATOM 22 CD1 LEU A 27 8.799 -3.422 10.226 1.00 0.00 C ATOM 23 CD2 LEU A 27 8.074 -1.153 9.397 1.00 0.00 C ATOM 0 H LEU A 27 5.539 -5.092 8.793 1.00 0.00 H new ATOM 0 HA LEU A 27 5.489 -2.257 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.780 -4.273 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.941 -2.697 7.393 1.00 0.00 H new ATOM 0 HG LEU A 27 6.806 -2.677 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.009 -2.979 11.199 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.473 -4.454 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.702 -3.403 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.282 -0.736 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.960 -1.057 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.246 -0.611 8.941 1.00 0.00 H new ATOM 24 N LEU A 28 5.562 -2.724 5.519 1.00 0.00 N ATOM 25 CA LEU A 28 5.428 -2.956 4.080 1.00 0.00 C ATOM 26 C LEU A 28 6.544 -2.217 3.334 1.00 0.00 C ATOM 27 O LEU A 28 6.520 -0.988 3.194 1.00 0.00 O ATOM 28 CB LEU A 28 4.050 -2.451 3.670 1.00 0.00 C ATOM 29 CG LEU A 28 3.565 -3.031 2.328 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.391 -4.548 2.380 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.225 -2.401 1.958 1.00 0.00 C ATOM 0 H LEU A 28 5.512 -1.742 5.790 1.00 0.00 H new ATOM 0 HA LEU A 28 5.520 -4.014 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.331 -2.704 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.075 -1.363 3.601 1.00 0.00 H new ATOM 0 HG LEU A 28 4.326 -2.802 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.048 -4.908 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.345 -5.015 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.656 -4.804 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.880 -2.810 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.493 -2.621 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.344 -1.321 1.866 1.00 0.00 H new ATOM 32 N TYR A 29 7.581 -2.980 3.061 1.00 0.00 N ATOM 33 CA TYR A 29 8.824 -2.493 2.430 1.00 0.00 C ATOM 34 C TYR A 29 8.700 -2.493 0.907 1.00 0.00 C ATOM 35 O TYR A 29 8.245 -3.471 0.325 1.00 0.00 O ATOM 36 CB TYR A 29 9.913 -3.456 2.915 1.00 0.00 C ATOM 37 CG TYR A 29 11.194 -3.486 2.082 1.00 0.00 C ATOM 38 CD1 TYR A 29 12.186 -2.501 2.278 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.372 -4.568 1.201 1.00 0.00 C ATOM 40 CE1 TYR A 29 13.388 -2.601 1.553 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.574 -4.668 0.477 1.00 0.00 C ATOM 42 CZ TYR A 29 13.552 -3.666 0.649 1.00 0.00 C ATOM 43 OH TYR A 29 14.588 -3.616 -0.218 1.00 0.00 O ATOM 0 H TYR A 29 7.600 -3.978 3.269 1.00 0.00 H new ATOM 0 HA TYR A 29 9.052 -1.462 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.175 -3.192 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.496 -4.463 2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 29 12.026 -1.687 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.597 -5.311 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 29 14.172 -1.871 1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.745 -5.495 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 29 14.376 -4.149 -1.012 1.00 0.00 H new ATOM 44 N CYS A 30 9.200 -1.437 0.296 1.00 0.00 N ATOM 45 CA CYS A 30 9.377 -1.413 -1.184 1.00 0.00 C ATOM 46 C CYS A 30 10.842 -1.576 -1.533 1.00 0.00 C ATOM 47 O CYS A 30 11.731 -1.103 -0.833 1.00 0.00 O ATOM 48 CB CYS A 30 8.799 -0.136 -1.780 1.00 0.00 C ATOM 49 SG CYS A 30 8.624 -0.239 -3.588 1.00 0.00 S ATOM 0 H CYS A 30 9.494 -0.585 0.773 1.00 0.00 H new ATOM 0 HA CYS A 30 8.829 -2.249 -1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.825 0.063 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.444 0.705 -1.526 1.00 0.00 H new ATOM 0 HG CYS A 30 8.697 -1.482 -3.961 1.00 0.00 H new ATOM 50 N SER A 31 11.033 -2.328 -2.608 1.00 0.00 N ATOM 51 CA SER A 31 12.366 -2.566 -3.200 1.00 0.00 C ATOM 52 C SER A 31 12.712 -1.620 -4.352 1.00 0.00 C ATOM 53 O SER A 31 13.777 -1.772 -4.963 1.00 0.00 O ATOM 54 CB SER A 31 12.515 -4.020 -3.680 1.00 0.00 C ATOM 55 OG SER A 31 12.748 -4.875 -2.562 1.00 0.00 O ATOM 0 H SER A 31 10.275 -2.796 -3.104 1.00 0.00 H new ATOM 0 HA SER A 31 13.070 -2.364 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.614 -4.333 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.341 -4.097 -4.387 1.00 0.00 H new ATOM 0 HG SER A 31 12.549 -4.391 -1.733 1.00 0.00 H new ATOM 56 N ASN A 32 11.866 -0.624 -4.633 1.00 0.00 N ATOM 57 CA ASN A 32 12.229 0.403 -5.620 1.00 0.00 C ATOM 58 C ASN A 32 13.392 1.244 -5.050 1.00 0.00 C ATOM 59 O ASN A 32 14.503 1.239 -5.576 1.00 0.00 O ATOM 60 CB ASN A 32 11.063 1.311 -6.061 1.00 0.00 C ATOM 61 CG ASN A 32 11.494 2.367 -7.100 1.00 0.00 C ATOM 62 OD1 ASN A 32 11.141 3.541 -7.026 1.00 0.00 O ATOM 63 ND2 ASN A 32 12.409 2.027 -7.975 1.00 0.00 N ATOM 0 H ASN A 32 10.948 -0.506 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 32 12.530 -0.120 -6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.268 0.696 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.649 1.814 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.819 2.734 -8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.711 1.055 -8.046 1.00 0.00 H new ATOM 64 N GLY A 33 13.012 2.089 -4.113 1.00 0.00 N ATOM 65 CA GLY A 33 13.879 2.648 -3.071 1.00 0.00 C ATOM 66 C GLY A 33 13.403 1.980 -1.784 1.00 0.00 C ATOM 67 O GLY A 33 12.208 1.715 -1.629 1.00 0.00 O ATOM 0 H GLY A 33 12.051 2.425 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.929 2.429 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.784 3.732 -3.015 1.00 0.00 H new ATOM 68 N GLY A 34 14.381 1.627 -0.941 1.00 0.00 N ATOM 69 CA GLY A 34 14.164 0.923 0.347 1.00 0.00 C ATOM 70 C GLY A 34 13.419 1.789 1.357 1.00 0.00 C ATOM 71 O GLY A 34 14.004 2.395 2.250 1.00 0.00 O ATOM 0 H GLY A 34 15.364 1.822 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.599 0.008 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.126 0.627 0.764 1.00 0.00 H new ATOM 72 N HIS A 35 12.131 1.946 1.065 1.00 0.00 N ATOM 73 CA HIS A 35 11.228 2.798 1.827 1.00 0.00 C ATOM 74 C HIS A 35 9.917 2.065 2.124 1.00 0.00 C ATOM 75 O HIS A 35 9.461 1.209 1.369 1.00 0.00 O ATOM 76 CB HIS A 35 10.818 4.060 1.068 1.00 0.00 C ATOM 77 CG HIS A 35 11.969 4.852 0.425 1.00 0.00 C ATOM 78 ND1 HIS A 35 13.258 4.824 0.761 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.839 5.653 -0.635 1.00 0.00 C ATOM 80 CE1 HIS A 35 13.925 5.587 -0.090 1.00 0.00 C ATOM 81 NE2 HIS A 35 13.046 6.106 -0.941 1.00 0.00 N ATOM 0 H HIS A 35 11.680 1.477 0.280 1.00 0.00 H new ATOM 0 HA HIS A 35 11.780 3.058 2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.113 3.779 0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.287 4.719 1.755 1.00 0.00 H new ATOM 0 HD1 HIS A 35 13.661 4.304 1.540 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.919 5.889 -1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.991 5.757 -0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.264 6.747 -1.704 1.00 0.00 H new ATOM 82 N PHE A 36 9.295 2.532 3.204 1.00 0.00 N ATOM 83 CA PHE A 36 8.020 1.992 3.686 1.00 0.00 C ATOM 84 C PHE A 36 6.809 2.765 3.198 1.00 0.00 C ATOM 85 O PHE A 36 6.871 3.954 2.886 1.00 0.00 O ATOM 86 CB PHE A 36 8.057 2.002 5.214 1.00 0.00 C ATOM 87 CG PHE A 36 9.041 0.943 5.713 1.00 0.00 C ATOM 88 CD1 PHE A 36 8.665 -0.420 5.752 1.00 0.00 C ATOM 89 CD2 PHE A 36 10.386 1.336 5.879 1.00 0.00 C ATOM 90 CE1 PHE A 36 9.669 -1.397 5.931 1.00 0.00 C ATOM 91 CE2 PHE A 36 11.388 0.356 6.036 1.00 0.00 C ATOM 92 CZ PHE A 36 11.022 -1.007 6.065 1.00 0.00 C ATOM 0 H PHE A 36 9.659 3.297 3.773 1.00 0.00 H new ATOM 0 HA PHE A 36 7.911 0.983 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.355 2.987 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.062 1.804 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.629 -0.708 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.647 2.384 5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.403 -2.443 5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.424 0.645 6.133 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.784 -1.761 6.191 1.00 0.00 H new ATOM 93 N LEU A 37 5.719 2.007 3.091 1.00 0.00 N ATOM 94 CA LEU A 37 4.402 2.542 2.721 1.00 0.00 C ATOM 95 C LEU A 37 3.716 3.114 3.985 1.00 0.00 C ATOM 96 O LEU A 37 2.841 2.501 4.593 1.00 0.00 O ATOM 97 CB LEU A 37 3.586 1.394 2.133 1.00 0.00 C ATOM 98 CG LEU A 37 2.434 2.031 1.337 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.844 2.368 -0.099 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.246 1.079 1.278 1.00 0.00 C ATOM 0 H LEU A 37 5.720 1.001 3.258 1.00 0.00 H new ATOM 0 HA LEU A 37 4.489 3.344 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.205 0.771 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.200 0.749 2.923 1.00 0.00 H new ATOM 0 HG LEU A 37 2.167 2.953 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.999 2.815 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.676 3.072 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.149 1.457 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.437 1.541 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.547 0.152 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.903 0.862 2.290 1.00 0.00 H new ATOM 101 N ARG A 38 4.085 4.348 4.307 1.00 0.00 N ATOM 102 CA ARG A 38 3.746 4.910 5.618 1.00 0.00 C ATOM 103 C ARG A 38 2.640 5.963 5.578 1.00 0.00 C ATOM 104 O ARG A 38 2.667 6.903 4.787 1.00 0.00 O ATOM 105 CB ARG A 38 5.000 5.525 6.258 1.00 0.00 C ATOM 106 CG ARG A 38 4.867 5.556 7.771 1.00 0.00 C ATOM 107 CD ARG A 38 5.953 6.356 8.490 1.00 0.00 C ATOM 108 NE ARG A 38 5.499 7.759 8.512 1.00 0.00 N ATOM 109 CZ ARG A 38 6.169 8.802 8.998 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.485 8.769 9.214 1.00 0.00 N ATOM 111 NH2 ARG A 38 5.598 9.995 8.982 1.00 0.00 N ATOM 0 H ARG A 38 4.609 4.973 3.694 1.00 0.00 H new ATOM 0 HA ARG A 38 3.365 4.079 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.880 4.946 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.149 6.536 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.895 5.976 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.881 4.532 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.103 5.982 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.908 6.266 7.972 1.00 0.00 H new ATOM 0 HE ARG A 38 4.579 7.950 8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.015 7.923 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.961 9.590 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.658 10.106 8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.097 10.804 9.350 1.00 0.00 H new ATOM 112 N ILE A 39 1.746 5.789 6.548 1.00 0.00 N ATOM 113 CA ILE A 39 0.614 6.697 6.782 1.00 0.00 C ATOM 114 C ILE A 39 1.047 7.964 7.546 1.00 0.00 C ATOM 115 O ILE A 39 2.054 7.975 8.269 1.00 0.00 O ATOM 116 CB ILE A 39 -0.521 5.918 7.490 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.818 6.744 7.595 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.139 5.435 8.895 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.400 7.144 6.243 1.00 0.00 C ATOM 0 H ILE A 39 1.783 5.008 7.203 1.00 0.00 H new ATOM 0 HA ILE A 39 0.232 7.057 5.827 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.690 5.047 6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.562 6.168 8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.619 7.645 8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.978 4.897 9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.723 4.772 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.110 6.293 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.311 7.723 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.674 7.748 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.632 6.248 5.667 1.00 0.00 H new ATOM 120 N LEU A 40 0.461 9.065 7.094 1.00 0.00 N ATOM 121 CA LEU A 40 0.442 10.342 7.819 1.00 0.00 C ATOM 122 C LEU A 40 -1.005 10.646 8.276 1.00 0.00 C ATOM 123 O LEU A 40 -1.922 10.591 7.453 1.00 0.00 O ATOM 124 CB LEU A 40 0.966 11.489 6.940 1.00 0.00 C ATOM 125 CG LEU A 40 2.477 11.351 6.723 1.00 0.00 C ATOM 126 CD1 LEU A 40 2.784 11.197 5.236 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.206 12.561 7.309 1.00 0.00 C ATOM 0 H LEU A 40 -0.025 9.103 6.198 1.00 0.00 H new ATOM 0 HA LEU A 40 1.097 10.260 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.452 11.482 5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.746 12.447 7.412 1.00 0.00 H new ATOM 0 HG LEU A 40 2.830 10.457 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.860 11.100 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.286 10.307 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.425 12.074 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.279 12.452 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.856 13.469 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.003 12.625 8.378 1.00 0.00 H new ATOM 128 N PRO A 41 -1.179 10.951 9.571 1.00 0.00 N ATOM 129 CA PRO A 41 -2.473 11.392 10.148 1.00 0.00 C ATOM 130 C PRO A 41 -3.226 12.429 9.302 1.00 0.00 C ATOM 131 O PRO A 41 -4.447 12.352 9.174 1.00 0.00 O ATOM 132 CB PRO A 41 -2.100 11.989 11.511 1.00 0.00 C ATOM 133 CG PRO A 41 -0.875 11.175 11.944 1.00 0.00 C ATOM 134 CD PRO A 41 -0.189 10.748 10.644 1.00 0.00 C ATOM 0 HA PRO A 41 -3.160 10.548 10.204 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.867 13.051 11.432 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.917 11.894 12.226 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.206 11.772 12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.169 10.308 12.536 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.708 11.341 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.124 9.705 10.693 1.00 0.00 H new ATOM 135 N ASP A 42 -2.491 13.378 8.716 1.00 0.00 N ATOM 136 CA ASP A 42 -3.041 14.356 7.749 1.00 0.00 C ATOM 137 C ASP A 42 -3.310 13.789 6.338 1.00 0.00 C ATOM 138 O ASP A 42 -2.899 14.335 5.317 1.00 0.00 O ATOM 139 CB ASP A 42 -2.140 15.616 7.718 1.00 0.00 C ATOM 140 CG ASP A 42 -0.718 15.357 7.209 1.00 0.00 C ATOM 141 OD1 ASP A 42 0.073 14.835 8.026 1.00 0.00 O ATOM 142 OD2 ASP A 42 -0.469 15.650 6.029 1.00 0.00 O ATOM 0 H ASP A 42 -1.494 13.497 8.894 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.034 14.629 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.609 16.369 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.084 16.034 8.723 1.00 0.00 H new ATOM 143 N GLY A 43 -4.050 12.683 6.340 1.00 0.00 N ATOM 144 CA GLY A 43 -4.514 11.976 5.141 1.00 0.00 C ATOM 145 C GLY A 43 -3.480 11.051 4.463 1.00 0.00 C ATOM 146 O GLY A 43 -3.603 9.834 4.550 1.00 0.00 O ATOM 0 H GLY A 43 -4.356 12.236 7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.386 11.380 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.845 12.715 4.412 1.00 0.00 H new ATOM 147 N THR A 44 -2.571 11.684 3.722 1.00 0.00 N ATOM 148 CA THR A 44 -1.587 11.028 2.826 1.00 0.00 C ATOM 149 C THR A 44 -0.798 9.830 3.352 1.00 0.00 C ATOM 150 O THR A 44 -0.459 9.699 4.529 1.00 0.00 O ATOM 151 CB THR A 44 -0.560 12.037 2.285 1.00 0.00 C ATOM 152 OG1 THR A 44 -0.516 13.191 3.135 1.00 0.00 O ATOM 153 CG2 THR A 44 -0.795 12.376 0.821 1.00 0.00 C ATOM 0 H THR A 44 -2.487 12.701 3.720 1.00 0.00 H new ATOM 0 HA THR A 44 -2.254 10.626 2.063 1.00 0.00 H new ATOM 0 HB THR A 44 0.426 11.574 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.141 13.829 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.043 13.092 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.723 11.469 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.788 12.811 0.703 1.00 0.00 H new ATOM 154 N VAL A 45 -0.477 9.009 2.369 1.00 0.00 N ATOM 155 CA VAL A 45 0.442 7.862 2.492 1.00 0.00 C ATOM 156 C VAL A 45 1.569 8.129 1.492 1.00 0.00 C ATOM 157 O VAL A 45 1.336 8.548 0.354 1.00 0.00 O ATOM 158 CB VAL A 45 -0.233 6.533 2.131 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.636 5.293 2.381 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.556 6.334 2.879 1.00 0.00 C ATOM 0 H VAL A 45 -0.854 9.114 1.427 1.00 0.00 H new ATOM 0 HA VAL A 45 0.788 7.771 3.522 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.406 6.619 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.082 4.398 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.546 5.360 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.898 5.240 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.997 5.380 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.371 6.339 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.242 7.142 2.626 1.00 0.00 H new ATOM 161 N ASP A 46 2.790 7.908 1.973 1.00 0.00 N ATOM 162 CA ASP A 46 4.028 8.193 1.234 1.00 0.00 C ATOM 163 C ASP A 46 5.245 7.352 1.657 1.00 0.00 C ATOM 164 O ASP A 46 5.283 6.791 2.754 1.00 0.00 O ATOM 165 CB ASP A 46 4.338 9.690 1.341 1.00 0.00 C ATOM 166 CG ASP A 46 3.699 10.484 0.197 1.00 0.00 C ATOM 167 OD1 ASP A 46 3.845 10.031 -0.972 1.00 0.00 O ATOM 168 OD2 ASP A 46 3.086 11.535 0.498 1.00 0.00 O ATOM 0 H ASP A 46 2.955 7.520 2.902 1.00 0.00 H new ATOM 0 HA ASP A 46 3.844 7.904 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.974 10.070 2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.418 9.840 1.329 1.00 0.00 H new ATOM 169 N GLY A 47 6.216 7.339 0.746 1.00 0.00 N ATOM 170 CA GLY A 47 7.501 6.605 0.876 1.00 0.00 C ATOM 171 C GLY A 47 8.393 7.132 2.009 1.00 0.00 C ATOM 172 O GLY A 47 8.933 8.238 1.954 1.00 0.00 O ATOM 0 H GLY A 47 6.141 7.850 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.292 5.549 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.046 6.671 -0.066 1.00 0.00 H new ATOM 173 N THR A 48 8.645 6.228 2.949 1.00 0.00 N ATOM 174 CA THR A 48 9.412 6.503 4.181 1.00 0.00 C ATOM 175 C THR A 48 10.745 5.752 4.190 1.00 0.00 C ATOM 176 O THR A 48 10.793 4.566 4.471 1.00 0.00 O ATOM 177 CB THR A 48 8.556 6.214 5.419 1.00 0.00 C ATOM 178 OG1 THR A 48 7.417 7.074 5.401 1.00 0.00 O ATOM 179 CG2 THR A 48 9.269 6.399 6.764 1.00 0.00 C ATOM 0 H THR A 48 8.321 5.263 2.885 1.00 0.00 H new ATOM 0 HA THR A 48 9.665 7.563 4.206 1.00 0.00 H new ATOM 0 HB THR A 48 8.295 5.158 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.417 7.634 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.579 6.170 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.126 5.728 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.609 7.430 6.857 1.00 0.00 H new ATOM 180 N ARG A 49 11.791 6.558 4.101 1.00 0.00 N ATOM 181 CA ARG A 49 13.217 6.129 4.070 1.00 0.00 C ATOM 182 C ARG A 49 13.690 5.342 5.300 1.00 0.00 C ATOM 183 O ARG A 49 14.775 4.770 5.322 1.00 0.00 O ATOM 184 CB ARG A 49 14.131 7.356 3.933 1.00 0.00 C ATOM 185 CG ARG A 49 13.890 8.151 2.652 1.00 0.00 C ATOM 186 CD ARG A 49 13.358 9.556 2.951 1.00 0.00 C ATOM 187 NE ARG A 49 11.939 9.565 3.358 1.00 0.00 N ATOM 188 CZ ARG A 49 11.464 9.647 4.606 1.00 0.00 C ATOM 189 NH1 ARG A 49 12.231 9.919 5.644 1.00 0.00 N ATOM 190 NH2 ARG A 49 10.152 9.716 4.776 1.00 0.00 N ATOM 0 H ARG A 49 11.687 7.571 4.045 1.00 0.00 H new ATOM 0 HA ARG A 49 13.280 5.458 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.980 8.010 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.171 7.030 3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.821 8.226 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.178 7.619 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.959 10.005 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.479 10.180 2.065 1.00 0.00 H new ATOM 0 HE ARG A 49 11.249 9.502 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.230 10.077 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.825 9.972 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.532 9.706 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.762 9.779 5.716 1.00 0.00 H new ATOM 191 N ASP A 50 12.881 5.389 6.357 1.00 0.00 N ATOM 192 CA ASP A 50 13.210 4.785 7.659 1.00 0.00 C ATOM 193 C ASP A 50 12.155 3.769 8.096 1.00 0.00 C ATOM 194 O ASP A 50 10.964 3.907 7.817 1.00 0.00 O ATOM 195 CB ASP A 50 13.314 5.900 8.702 1.00 0.00 C ATOM 196 CG ASP A 50 14.527 6.808 8.500 1.00 0.00 C ATOM 197 OD1 ASP A 50 14.416 7.746 7.667 1.00 0.00 O ATOM 198 OD2 ASP A 50 15.515 6.598 9.229 1.00 0.00 O ATOM 0 H ASP A 50 11.971 5.849 6.340 1.00 0.00 H new ATOM 0 HA ASP A 50 14.157 4.254 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.407 6.504 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.364 5.455 9.696 1.00 0.00 H new ATOM 199 N ARG A 51 12.623 2.817 8.898 1.00 0.00 N ATOM 200 CA ARG A 51 11.795 1.788 9.549 1.00 0.00 C ATOM 201 C ARG A 51 11.108 2.412 10.785 1.00 0.00 C ATOM 202 O ARG A 51 11.394 2.126 11.937 1.00 0.00 O ATOM 203 CB ARG A 51 12.751 0.648 9.894 1.00 0.00 C ATOM 204 CG ARG A 51 12.038 -0.690 9.857 1.00 0.00 C ATOM 205 CD ARG A 51 13.036 -1.818 10.027 1.00 0.00 C ATOM 206 NE ARG A 51 12.273 -3.067 9.944 1.00 0.00 N ATOM 207 CZ ARG A 51 12.427 -4.033 9.053 1.00 0.00 C ATOM 208 NH1 ARG A 51 13.435 -4.074 8.185 1.00 0.00 N ATOM 209 NH2 ARG A 51 11.601 -5.078 9.112 1.00 0.00 N ATOM 0 H ARG A 51 13.614 2.731 9.124 1.00 0.00 H new ATOM 0 HA ARG A 51 10.992 1.404 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.583 0.640 9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.174 0.811 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.290 -0.734 10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.508 -0.802 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.801 -1.779 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.549 -1.740 10.985 1.00 0.00 H new ATOM 0 HE ARG A 51 11.547 -3.206 10.647 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.139 -3.336 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.504 -4.844 7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.877 -5.116 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.693 -5.840 8.440 1.00 0.00 H new ATOM 210 N SER A 52 10.185 3.306 10.457 1.00 0.00 N ATOM 211 CA SER A 52 9.461 4.176 11.409 1.00 0.00 C ATOM 212 C SER A 52 8.054 3.651 11.679 1.00 0.00 C ATOM 213 O SER A 52 7.025 4.307 11.469 1.00 0.00 O ATOM 214 CB SER A 52 9.421 5.596 10.859 1.00 0.00 C ATOM 215 OG SER A 52 10.757 6.071 10.676 1.00 0.00 O ATOM 0 H SER A 52 9.901 3.460 9.490 1.00 0.00 H new ATOM 0 HA SER A 52 9.989 4.176 12.362 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.883 5.616 9.911 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.882 6.249 11.545 1.00 0.00 H new ATOM 0 HG SER A 52 10.734 6.984 10.321 1.00 0.00 H new ATOM 216 N ASP A 53 8.081 2.436 12.192 1.00 0.00 N ATOM 217 CA ASP A 53 6.908 1.630 12.609 1.00 0.00 C ATOM 218 C ASP A 53 6.118 2.127 13.831 1.00 0.00 C ATOM 219 O ASP A 53 5.770 1.383 14.741 1.00 0.00 O ATOM 220 CB ASP A 53 7.313 0.142 12.743 1.00 0.00 C ATOM 221 CG ASP A 53 8.383 -0.139 13.802 1.00 0.00 C ATOM 222 OD1 ASP A 53 9.363 0.649 13.864 1.00 0.00 O ATOM 223 OD2 ASP A 53 8.251 -1.176 14.480 1.00 0.00 O ATOM 0 H ASP A 53 8.960 1.942 12.345 1.00 0.00 H new ATOM 0 HA ASP A 53 6.185 1.757 11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.424 -0.442 12.981 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.676 -0.210 11.777 1.00 0.00 H new ATOM 224 N GLN A 54 6.084 3.444 13.919 1.00 0.00 N ATOM 225 CA GLN A 54 5.103 4.173 14.751 1.00 0.00 C ATOM 226 C GLN A 54 3.806 4.242 13.939 1.00 0.00 C ATOM 227 O GLN A 54 2.875 3.479 14.217 1.00 0.00 O ATOM 228 CB GLN A 54 5.620 5.562 15.100 1.00 0.00 C ATOM 229 CG GLN A 54 6.882 5.553 15.976 1.00 0.00 C ATOM 230 CD GLN A 54 6.663 4.969 17.383 1.00 0.00 C ATOM 231 OE1 GLN A 54 6.134 5.600 18.290 1.00 0.00 O ATOM 232 NE2 GLN A 54 7.063 3.728 17.596 1.00 0.00 N ATOM 0 H GLN A 54 6.732 4.054 13.420 1.00 0.00 H new ATOM 0 HA GLN A 54 4.931 3.663 15.699 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.833 6.102 14.178 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.834 6.112 15.617 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.658 4.977 15.472 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.253 6.573 16.071 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.504 3.198 16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.931 3.300 18.512 1.00 0.00 H new ATOM 233 N HIS A 55 3.951 4.773 12.725 1.00 0.00 N ATOM 234 CA HIS A 55 2.830 4.940 11.781 1.00 0.00 C ATOM 235 C HIS A 55 2.662 3.687 10.898 1.00 0.00 C ATOM 236 O HIS A 55 1.548 3.200 10.716 1.00 0.00 O ATOM 237 CB HIS A 55 3.045 6.164 10.893 1.00 0.00 C ATOM 238 CG HIS A 55 3.093 7.509 11.625 1.00 0.00 C ATOM 239 ND1 HIS A 55 3.785 8.572 11.235 1.00 0.00 N ATOM 240 CD2 HIS A 55 2.372 7.862 12.684 1.00 0.00 C ATOM 241 CE1 HIS A 55 3.495 9.582 12.047 1.00 0.00 C ATOM 242 NE2 HIS A 55 2.617 9.142 12.938 1.00 0.00 N ATOM 0 H HIS A 55 4.846 5.101 12.362 1.00 0.00 H new ATOM 0 HA HIS A 55 1.924 5.082 12.369 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.979 6.035 10.345 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.244 6.200 10.154 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.704 7.221 13.240 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.901 10.581 11.992 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.201 9.692 13.689 1.00 0.00 H new ATOM 243 N ILE A 56 3.770 3.207 10.339 1.00 0.00 N ATOM 244 CA ILE A 56 3.846 1.958 9.572 1.00 0.00 C ATOM 245 C ILE A 56 3.738 0.687 10.444 1.00 0.00 C ATOM 246 O ILE A 56 4.705 0.033 10.829 1.00 0.00 O ATOM 247 CB ILE A 56 4.997 1.981 8.540 1.00 0.00 C ATOM 248 CG1 ILE A 56 5.131 0.687 7.748 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.372 2.412 9.047 1.00 0.00 C ATOM 250 CD1 ILE A 56 4.015 0.605 6.725 1.00 0.00 C ATOM 0 H ILE A 56 4.667 3.687 10.407 1.00 0.00 H new ATOM 0 HA ILE A 56 2.943 1.895 8.964 1.00 0.00 H new ATOM 0 HB ILE A 56 4.662 2.782 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.100 0.651 7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.087 -0.170 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.088 2.385 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.312 3.426 9.443 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.698 1.733 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.109 -0.321 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.052 0.621 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.080 1.455 6.046 1.00 0.00 H new ATOM 251 N GLN A 57 2.513 0.594 10.927 1.00 0.00 N ATOM 252 CA GLN A 57 1.944 -0.546 11.656 1.00 0.00 C ATOM 253 C GLN A 57 0.579 -0.881 11.073 1.00 0.00 C ATOM 254 O GLN A 57 -0.408 -0.204 11.331 1.00 0.00 O ATOM 255 CB GLN A 57 1.795 -0.222 13.141 1.00 0.00 C ATOM 256 CG GLN A 57 3.034 -0.682 13.897 1.00 0.00 C ATOM 257 CD GLN A 57 2.721 -0.751 15.393 1.00 0.00 C ATOM 258 OE1 GLN A 57 2.220 -1.732 15.927 1.00 0.00 O ATOM 259 NE2 GLN A 57 3.021 0.305 16.093 1.00 0.00 N ATOM 0 H GLN A 57 1.841 1.353 10.819 1.00 0.00 H new ATOM 0 HA GLN A 57 2.617 -1.398 11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.653 0.850 13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.909 -0.714 13.543 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.352 -1.660 13.535 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.859 0.007 13.718 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.438 1.117 15.638 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.839 0.320 17.096 1.00 0.00 H new ATOM 260 N LEU A 58 0.550 -1.944 10.278 1.00 0.00 N ATOM 261 CA LEU A 58 -0.652 -2.255 9.510 1.00 0.00 C ATOM 262 C LEU A 58 -1.300 -3.589 9.827 1.00 0.00 C ATOM 263 O LEU A 58 -0.718 -4.506 10.407 1.00 0.00 O ATOM 264 CB LEU A 58 -0.416 -2.059 8.012 1.00 0.00 C ATOM 265 CG LEU A 58 0.694 -2.938 7.445 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.091 -4.106 6.658 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.540 -2.084 6.513 1.00 0.00 C ATOM 0 H LEU A 58 1.326 -2.593 10.148 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.395 -1.529 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.342 -2.269 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.170 -1.014 7.826 1.00 0.00 H new ATOM 0 HG LEU A 58 1.301 -3.341 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.892 -4.727 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.536 -4.704 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.512 -3.719 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.343 -2.690 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.916 -1.698 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.968 -1.251 7.071 1.00 0.00 H new ATOM 268 N GLN A 59 -2.576 -3.599 9.503 1.00 0.00 N ATOM 269 CA GLN A 59 -3.401 -4.761 9.744 1.00 0.00 C ATOM 270 C GLN A 59 -4.155 -5.182 8.491 1.00 0.00 C ATOM 271 O GLN A 59 -4.988 -4.442 7.962 1.00 0.00 O ATOM 272 CB GLN A 59 -4.365 -4.300 10.810 1.00 0.00 C ATOM 273 CG GLN A 59 -4.989 -5.554 11.387 1.00 0.00 C ATOM 274 CD GLN A 59 -6.230 -5.161 12.149 1.00 0.00 C ATOM 275 OE1 GLN A 59 -6.908 -4.165 11.938 1.00 0.00 O ATOM 276 NE2 GLN A 59 -6.565 -6.050 13.038 1.00 0.00 N ATOM 0 H GLN A 59 -3.064 -2.814 9.072 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.813 -5.630 10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.848 -3.732 11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.127 -3.645 10.388 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.239 -6.254 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.284 -6.060 12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.976 -6.869 13.188 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.417 -5.928 13.585 1.00 0.00 H new ATOM 277 N LEU A 60 -3.836 -6.393 8.063 1.00 0.00 N ATOM 278 CA LEU A 60 -4.468 -7.009 6.891 1.00 0.00 C ATOM 279 C LEU A 60 -5.810 -7.665 7.210 1.00 0.00 C ATOM 280 O LEU A 60 -5.922 -8.853 7.515 1.00 0.00 O ATOM 281 CB LEU A 60 -3.483 -7.984 6.233 1.00 0.00 C ATOM 282 CG LEU A 60 -2.272 -7.231 5.655 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.977 -7.901 6.099 1.00 0.00 C ATOM 284 CD2 LEU A 60 -2.348 -7.154 4.132 1.00 0.00 C ATOM 0 H LEU A 60 -3.134 -6.981 8.512 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.706 -6.217 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.145 -8.717 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.986 -8.536 5.439 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.287 -6.211 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.127 -7.360 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.917 -7.892 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.960 -8.931 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.480 -6.617 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.362 -8.162 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.257 -6.628 3.839 1.00 0.00 H new ATOM 285 N SER A 61 -6.826 -6.878 6.928 1.00 0.00 N ATOM 286 CA SER A 61 -8.230 -7.194 7.254 1.00 0.00 C ATOM 287 C SER A 61 -8.979 -7.644 5.996 1.00 0.00 C ATOM 288 O SER A 61 -9.692 -6.889 5.337 1.00 0.00 O ATOM 289 CB SER A 61 -8.844 -5.955 7.901 1.00 0.00 C ATOM 290 OG SER A 61 -10.219 -6.200 8.238 1.00 0.00 O ATOM 0 H SER A 61 -6.714 -5.980 6.457 1.00 0.00 H new ATOM 0 HA SER A 61 -8.298 -8.025 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.284 -5.689 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.775 -5.108 7.219 1.00 0.00 H new ATOM 0 HG SER A 61 -10.602 -5.399 8.654 1.00 0.00 H new ATOM 291 N ALA A 62 -8.490 -8.770 5.487 1.00 0.00 N ATOM 292 CA ALA A 62 -9.112 -9.519 4.380 1.00 0.00 C ATOM 293 C ALA A 62 -10.632 -9.701 4.464 1.00 0.00 C ATOM 294 O ALA A 62 -11.185 -10.131 5.478 1.00 0.00 O ATOM 295 CB ALA A 62 -8.439 -10.886 4.255 1.00 0.00 C ATOM 0 H ALA A 62 -7.634 -9.203 5.833 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.954 -8.902 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.896 -11.443 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.376 -10.751 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.564 -11.440 5.186 1.00 0.00 H new ATOM 296 N GLU A 63 -11.250 -9.115 3.451 1.00 0.00 N ATOM 297 CA GLU A 63 -12.636 -9.468 3.073 1.00 0.00 C ATOM 298 C GLU A 63 -12.633 -10.809 2.312 1.00 0.00 C ATOM 299 O GLU A 63 -13.601 -11.568 2.281 1.00 0.00 O ATOM 300 CB GLU A 63 -13.107 -8.323 2.185 1.00 0.00 C ATOM 301 CG GLU A 63 -14.615 -8.357 1.932 1.00 0.00 C ATOM 302 CD GLU A 63 -15.025 -7.049 1.262 1.00 0.00 C ATOM 303 OE1 GLU A 63 -14.861 -6.985 0.024 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.394 -6.122 2.016 1.00 0.00 O ATOM 0 H GLU A 63 -10.827 -8.393 2.868 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.295 -9.594 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.842 -7.374 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.581 -8.368 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.873 -9.205 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.153 -8.486 2.871 1.00 0.00 H new ATOM 305 N SER A 64 -11.518 -10.992 1.621 1.00 0.00 N ATOM 306 CA SER A 64 -11.107 -12.182 0.870 1.00 0.00 C ATOM 307 C SER A 64 -9.584 -12.108 0.768 1.00 0.00 C ATOM 308 O SER A 64 -9.018 -11.013 0.815 1.00 0.00 O ATOM 309 CB SER A 64 -11.700 -12.155 -0.541 1.00 0.00 C ATOM 310 OG SER A 64 -13.123 -12.184 -0.460 1.00 0.00 O ATOM 0 H SER A 64 -10.816 -10.255 1.563 1.00 0.00 H new ATOM 0 HA SER A 64 -11.448 -13.092 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.373 -11.258 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.340 -13.009 -1.114 1.00 0.00 H new ATOM 0 HG SER A 64 -13.503 -12.165 -1.363 1.00 0.00 H new ATOM 311 N VAL A 65 -8.955 -13.276 0.674 1.00 0.00 N ATOM 312 CA VAL A 65 -7.490 -13.437 0.578 1.00 0.00 C ATOM 313 C VAL A 65 -6.779 -12.439 -0.350 1.00 0.00 C ATOM 314 O VAL A 65 -5.629 -12.075 -0.117 1.00 0.00 O ATOM 315 CB VAL A 65 -7.125 -14.893 0.237 1.00 0.00 C ATOM 316 CG1 VAL A 65 -7.470 -15.839 1.388 1.00 0.00 C ATOM 317 CG2 VAL A 65 -7.726 -15.392 -1.088 1.00 0.00 C ATOM 0 H VAL A 65 -9.454 -14.165 0.661 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.109 -13.192 1.569 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.044 -14.897 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.200 -16.859 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.917 -15.544 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.540 -15.789 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.424 -16.425 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.813 -15.335 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.367 -14.769 -1.908 1.00 0.00 H new ATOM 318 N GLY A 66 -7.464 -12.081 -1.441 1.00 0.00 N ATOM 319 CA GLY A 66 -7.075 -10.991 -2.343 1.00 0.00 C ATOM 320 C GLY A 66 -7.234 -9.629 -1.652 1.00 0.00 C ATOM 321 O GLY A 66 -6.321 -9.102 -1.025 1.00 0.00 O ATOM 0 H GLY A 66 -8.323 -12.551 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.040 -11.125 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.689 -11.021 -3.243 1.00 0.00 H new ATOM 322 N GLU A 67 -8.418 -9.068 -1.855 1.00 0.00 N ATOM 323 CA GLU A 67 -8.831 -7.762 -1.309 1.00 0.00 C ATOM 324 C GLU A 67 -8.877 -7.714 0.219 1.00 0.00 C ATOM 325 O GLU A 67 -9.786 -8.188 0.905 1.00 0.00 O ATOM 326 CB GLU A 67 -10.139 -7.251 -1.954 1.00 0.00 C ATOM 327 CG GLU A 67 -11.354 -8.177 -1.881 1.00 0.00 C ATOM 328 CD GLU A 67 -11.425 -9.137 -3.065 1.00 0.00 C ATOM 329 OE1 GLU A 67 -10.782 -10.208 -2.968 1.00 0.00 O ATOM 330 OE2 GLU A 67 -12.017 -8.734 -4.086 1.00 0.00 O ATOM 0 H GLU A 67 -9.144 -9.512 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.039 -7.067 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.404 -6.306 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.938 -7.037 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.316 -8.749 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.263 -7.577 -1.848 1.00 0.00 H new ATOM 331 N VAL A 68 -7.789 -7.129 0.701 1.00 0.00 N ATOM 332 CA VAL A 68 -7.527 -6.875 2.136 1.00 0.00 C ATOM 333 C VAL A 68 -7.737 -5.378 2.431 1.00 0.00 C ATOM 334 O VAL A 68 -7.345 -4.506 1.664 1.00 0.00 O ATOM 335 CB VAL A 68 -6.138 -7.324 2.596 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.981 -8.853 2.542 1.00 0.00 C ATOM 337 CG2 VAL A 68 -4.983 -6.679 1.816 1.00 0.00 C ATOM 0 H VAL A 68 -7.034 -6.803 0.097 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.235 -7.479 2.704 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.073 -6.980 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.981 -9.128 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.722 -9.318 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.129 -9.198 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.033 -7.048 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.070 -6.934 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.026 -5.596 1.932 1.00 0.00 H new ATOM 338 N TYR A 69 -8.418 -5.141 3.526 1.00 0.00 N ATOM 339 CA TYR A 69 -8.563 -3.796 4.113 1.00 0.00 C ATOM 340 C TYR A 69 -7.347 -3.585 5.010 1.00 0.00 C ATOM 341 O TYR A 69 -7.056 -4.428 5.852 1.00 0.00 O ATOM 342 CB TYR A 69 -9.799 -3.698 5.019 1.00 0.00 C ATOM 343 CG TYR A 69 -11.110 -3.787 4.260 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.562 -2.613 3.625 1.00 0.00 C ATOM 345 CD2 TYR A 69 -11.964 -4.895 4.466 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.899 -2.528 3.215 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.299 -4.815 4.048 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.754 -3.631 3.430 1.00 0.00 C ATOM 349 OH TYR A 69 -15.027 -3.552 2.963 1.00 0.00 O ATOM 0 H TYR A 69 -8.898 -5.871 4.053 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.656 -3.065 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.762 -4.497 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.767 -2.755 5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.886 -1.788 3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.592 -5.792 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.270 -1.631 2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -13.970 -5.648 4.197 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.298 -4.422 2.602 1.00 0.00 H new ATOM 350 N ILE A 70 -6.558 -2.580 4.701 1.00 0.00 N ATOM 351 CA ILE A 70 -5.363 -2.339 5.520 1.00 0.00 C ATOM 352 C ILE A 70 -5.625 -1.180 6.460 1.00 0.00 C ATOM 353 O ILE A 70 -5.745 -0.033 6.052 1.00 0.00 O ATOM 354 CB ILE A 70 -4.132 -2.114 4.617 1.00 0.00 C ATOM 355 CG1 ILE A 70 -3.936 -3.324 3.672 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.877 -1.866 5.464 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.866 -3.143 2.586 1.00 0.00 C ATOM 0 H ILE A 70 -6.701 -1.934 3.925 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.142 -3.214 6.132 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.302 -1.227 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.676 -4.195 4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.888 -3.544 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.020 -1.710 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.025 -0.982 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.692 -2.730 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.808 -4.046 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.130 -2.296 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.900 -2.958 3.055 1.00 0.00 H new ATOM 358 N LYS A 71 -5.815 -1.547 7.715 1.00 0.00 N ATOM 359 CA LYS A 71 -5.925 -0.557 8.784 1.00 0.00 C ATOM 360 C LYS A 71 -4.506 -0.314 9.299 1.00 0.00 C ATOM 361 O LYS A 71 -3.837 -1.224 9.796 1.00 0.00 O ATOM 362 CB LYS A 71 -6.773 -1.158 9.886 1.00 0.00 C ATOM 363 CG LYS A 71 -7.186 -0.069 10.866 1.00 0.00 C ATOM 364 CD LYS A 71 -7.268 -0.690 12.256 1.00 0.00 C ATOM 365 CE LYS A 71 -7.697 0.300 13.336 1.00 0.00 C ATOM 366 NZ LYS A 71 -9.037 0.834 13.032 1.00 0.00 N ATOM 0 H LYS A 71 -5.897 -2.516 8.023 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.377 0.375 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.657 -1.632 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.213 -1.936 10.406 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.463 0.747 10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.149 0.355 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.973 -1.521 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.295 -1.105 12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.705 -0.192 14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.977 1.116 13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.404 1.343 13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.976 1.487 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.678 0.050 12.795 1.00 0.00 H new ATOM 367 N SER A 72 -4.140 0.952 9.336 1.00 0.00 N ATOM 368 CA SER A 72 -2.807 1.368 9.823 1.00 0.00 C ATOM 369 C SER A 72 -2.882 1.742 11.301 1.00 0.00 C ATOM 370 O SER A 72 -3.033 2.888 11.722 1.00 0.00 O ATOM 371 CB SER A 72 -2.158 2.417 8.913 1.00 0.00 C ATOM 372 OG SER A 72 -2.972 3.587 8.793 1.00 0.00 O ATOM 0 H SER A 72 -4.737 1.724 9.038 1.00 0.00 H new ATOM 0 HA SER A 72 -2.120 0.524 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.182 2.692 9.312 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.989 1.988 7.925 1.00 0.00 H new ATOM 0 HG SER A 72 -3.843 3.342 8.417 1.00 0.00 H new ATOM 373 N THR A 73 -3.210 0.644 11.997 1.00 0.00 N ATOM 374 CA THR A 73 -3.488 0.483 13.446 1.00 0.00 C ATOM 375 C THR A 73 -3.287 1.664 14.397 1.00 0.00 C ATOM 376 O THR A 73 -4.258 2.111 15.008 1.00 0.00 O ATOM 377 CB THR A 73 -2.768 -0.738 14.032 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.353 -0.580 14.005 1.00 0.00 O ATOM 379 CG2 THR A 73 -3.226 -2.009 13.313 1.00 0.00 C ATOM 0 H THR A 73 -3.298 -0.251 11.516 1.00 0.00 H new ATOM 0 HA THR A 73 -4.571 0.367 13.408 1.00 0.00 H new ATOM 0 HB THR A 73 -3.040 -0.830 15.084 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.062 -0.391 13.088 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.710 -2.872 13.735 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.302 -2.131 13.440 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.993 -1.930 12.251 1.00 0.00 H new ATOM 380 N GLU A 74 -2.117 2.281 14.353 1.00 0.00 N ATOM 381 CA GLU A 74 -1.700 3.366 15.262 1.00 0.00 C ATOM 382 C GLU A 74 -2.570 4.622 15.120 1.00 0.00 C ATOM 383 O GLU A 74 -2.962 5.246 16.099 1.00 0.00 O ATOM 384 CB GLU A 74 -0.266 3.776 14.958 1.00 0.00 C ATOM 385 CG GLU A 74 0.338 4.425 16.210 1.00 0.00 C ATOM 386 CD GLU A 74 1.340 5.530 15.901 1.00 0.00 C ATOM 387 OE1 GLU A 74 0.951 6.504 15.214 1.00 0.00 O ATOM 388 OE2 GLU A 74 2.454 5.446 16.450 1.00 0.00 O ATOM 0 H GLU A 74 -1.401 2.042 13.667 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.803 2.973 16.274 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.321 2.906 14.663 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.242 4.475 14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.466 4.836 16.820 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.830 3.656 16.806 1.00 0.00 H new ATOM 389 N THR A 75 -2.768 4.983 13.858 1.00 0.00 N ATOM 390 CA THR A 75 -3.555 6.162 13.471 1.00 0.00 C ATOM 391 C THR A 75 -5.028 5.782 13.233 1.00 0.00 C ATOM 392 O THR A 75 -5.887 6.645 13.082 1.00 0.00 O ATOM 393 CB THR A 75 -3.025 6.822 12.196 1.00 0.00 C ATOM 394 OG1 THR A 75 -3.041 5.901 11.115 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.632 7.439 12.393 1.00 0.00 C ATOM 0 H THR A 75 -2.387 4.467 13.065 1.00 0.00 H new ATOM 0 HA THR A 75 -3.470 6.867 14.298 1.00 0.00 H new ATOM 0 HB THR A 75 -3.694 7.648 11.952 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.700 6.339 10.307 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.301 7.894 11.460 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.678 8.200 13.172 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.928 6.661 12.687 1.00 0.00 H new ATOM 396 N GLY A 76 -5.230 4.474 13.059 1.00 0.00 N ATOM 397 CA GLY A 76 -6.529 3.823 12.814 1.00 0.00 C ATOM 398 C GLY A 76 -7.122 4.178 11.450 1.00 0.00 C ATOM 399 O GLY A 76 -8.329 4.025 11.216 1.00 0.00 O ATOM 0 H GLY A 76 -4.460 3.805 13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.407 2.742 12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.230 4.114 13.597 1.00 0.00 H new ATOM 400 N GLN A 77 -6.224 4.412 10.504 1.00 0.00 N ATOM 401 CA GLN A 77 -6.571 4.877 9.161 1.00 0.00 C ATOM 402 C GLN A 77 -6.497 3.745 8.130 1.00 0.00 C ATOM 403 O GLN A 77 -5.482 3.075 7.977 1.00 0.00 O ATOM 404 CB GLN A 77 -5.633 6.023 8.772 1.00 0.00 C ATOM 405 CG GLN A 77 -5.991 7.367 9.421 1.00 0.00 C ATOM 406 CD GLN A 77 -4.954 8.426 9.027 1.00 0.00 C ATOM 407 OE1 GLN A 77 -3.840 8.466 9.530 1.00 0.00 O ATOM 408 NE2 GLN A 77 -5.245 9.219 8.028 1.00 0.00 N ATOM 0 H GLN A 77 -5.222 4.284 10.645 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.602 5.230 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.614 5.756 9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.647 6.139 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.985 7.682 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.022 7.261 10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.173 9.188 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.544 9.868 7.671 1.00 0.00 H new ATOM 409 N TYR A 78 -7.656 3.495 7.531 1.00 0.00 N ATOM 410 CA TYR A 78 -7.826 2.515 6.448 1.00 0.00 C ATOM 411 C TYR A 78 -7.185 3.006 5.157 1.00 0.00 C ATOM 412 O TYR A 78 -7.598 4.012 4.565 1.00 0.00 O ATOM 413 CB TYR A 78 -9.303 2.208 6.238 1.00 0.00 C ATOM 414 CG TYR A 78 -9.872 1.377 7.384 1.00 0.00 C ATOM 415 CD1 TYR A 78 -9.694 -0.028 7.344 1.00 0.00 C ATOM 416 CD2 TYR A 78 -10.532 2.020 8.451 1.00 0.00 C ATOM 417 CE1 TYR A 78 -10.205 -0.807 8.400 1.00 0.00 C ATOM 418 CE2 TYR A 78 -11.035 1.245 9.505 1.00 0.00 C ATOM 419 CZ TYR A 78 -10.869 -0.157 9.463 1.00 0.00 C ATOM 420 OH TYR A 78 -11.402 -0.921 10.460 1.00 0.00 O ATOM 0 H TYR A 78 -8.522 3.972 7.783 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.320 1.595 6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.861 3.141 6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.434 1.671 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.176 -0.493 6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.648 3.094 8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.091 -1.881 8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -11.542 1.713 10.336 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.828 -0.340 11.125 1.00 0.00 H new ATOM 421 N LEU A 79 -6.107 2.308 4.809 1.00 0.00 N ATOM 422 CA LEU A 79 -5.271 2.550 3.629 1.00 0.00 C ATOM 423 C LEU A 79 -6.056 2.344 2.332 1.00 0.00 C ATOM 424 O LEU A 79 -6.377 1.235 1.913 1.00 0.00 O ATOM 425 CB LEU A 79 -4.115 1.558 3.747 1.00 0.00 C ATOM 426 CG LEU A 79 -2.830 2.070 3.107 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.121 3.008 4.086 1.00 0.00 C ATOM 428 CD2 LEU A 79 -1.902 0.885 2.848 1.00 0.00 C ATOM 0 H LEU A 79 -5.774 1.521 5.366 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.916 3.580 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.931 1.345 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.400 0.617 3.276 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.068 2.590 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.201 3.378 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.773 3.849 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.883 2.466 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.979 1.239 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.672 0.390 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.392 0.179 2.178 1.00 0.00 H new ATOM 429 N ALA A 80 -6.320 3.488 1.719 1.00 0.00 N ATOM 430 CA ALA A 80 -7.329 3.591 0.665 1.00 0.00 C ATOM 431 C ALA A 80 -6.861 4.470 -0.488 1.00 0.00 C ATOM 432 O ALA A 80 -6.358 5.582 -0.286 1.00 0.00 O ATOM 433 CB ALA A 80 -8.598 4.149 1.307 1.00 0.00 C ATOM 0 H ALA A 80 -5.848 4.367 1.933 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.516 2.608 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.378 4.241 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.934 3.475 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.389 5.130 1.734 1.00 0.00 H new ATOM 434 N MET A 81 -7.070 3.950 -1.685 1.00 0.00 N ATOM 435 CA MET A 81 -6.648 4.646 -2.915 1.00 0.00 C ATOM 436 C MET A 81 -7.848 5.240 -3.660 1.00 0.00 C ATOM 437 O MET A 81 -8.884 4.622 -3.849 1.00 0.00 O ATOM 438 CB MET A 81 -5.828 3.701 -3.788 1.00 0.00 C ATOM 439 CG MET A 81 -5.158 4.436 -4.958 1.00 0.00 C ATOM 440 SD MET A 81 -3.773 3.497 -5.704 1.00 0.00 S ATOM 441 CE MET A 81 -4.653 2.367 -6.762 1.00 0.00 C ATOM 0 H MET A 81 -7.527 3.052 -1.844 1.00 0.00 H new ATOM 0 HA MET A 81 -6.011 5.489 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.065 3.216 -3.180 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.474 2.914 -4.176 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.905 4.640 -5.725 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.788 5.400 -4.609 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.029 2.109 -7.618 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.897 1.462 -6.205 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.572 2.837 -7.111 1.00 0.00 H new ATOM 442 N ASP A 82 -7.694 6.549 -3.853 1.00 0.00 N ATOM 443 CA ASP A 82 -8.586 7.398 -4.660 1.00 0.00 C ATOM 444 C ASP A 82 -8.399 7.070 -6.149 1.00 0.00 C ATOM 445 O ASP A 82 -7.288 6.797 -6.592 1.00 0.00 O ATOM 446 CB ASP A 82 -8.211 8.855 -4.347 1.00 0.00 C ATOM 447 CG ASP A 82 -9.253 9.859 -4.824 1.00 0.00 C ATOM 448 OD1 ASP A 82 -10.335 9.906 -4.203 1.00 0.00 O ATOM 449 OD2 ASP A 82 -8.963 10.476 -5.880 1.00 0.00 O ATOM 0 H ASP A 82 -6.921 7.071 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.637 7.227 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.075 8.965 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.253 9.085 -4.814 1.00 0.00 H new ATOM 450 N THR A 83 -9.404 7.501 -6.888 1.00 0.00 N ATOM 451 CA THR A 83 -9.536 7.336 -8.354 1.00 0.00 C ATOM 452 C THR A 83 -8.747 8.326 -9.209 1.00 0.00 C ATOM 453 O THR A 83 -8.920 8.426 -10.425 1.00 0.00 O ATOM 454 CB THR A 83 -11.004 7.431 -8.731 1.00 0.00 C ATOM 455 OG1 THR A 83 -11.557 8.577 -8.058 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.796 6.181 -8.343 1.00 0.00 C ATOM 0 H THR A 83 -10.195 8.000 -6.480 1.00 0.00 H new ATOM 0 HA THR A 83 -9.106 6.358 -8.570 1.00 0.00 H new ATOM 0 HB THR A 83 -11.076 7.524 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.506 8.663 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.838 6.305 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.377 5.312 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.738 6.034 -7.265 1.00 0.00 H new ATOM 457 N ASP A 84 -7.815 8.956 -8.533 1.00 0.00 N ATOM 458 CA ASP A 84 -6.749 9.760 -9.150 1.00 0.00 C ATOM 459 C ASP A 84 -5.351 9.194 -8.831 1.00 0.00 C ATOM 460 O ASP A 84 -4.338 9.794 -9.190 1.00 0.00 O ATOM 461 CB ASP A 84 -6.816 11.193 -8.623 1.00 0.00 C ATOM 462 CG ASP A 84 -8.038 11.940 -9.180 1.00 0.00 C ATOM 463 OD1 ASP A 84 -7.898 12.543 -10.261 1.00 0.00 O ATOM 464 OD2 ASP A 84 -9.098 11.845 -8.521 1.00 0.00 O ATOM 0 H ASP A 84 -7.763 8.933 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.903 9.733 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.861 11.180 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.906 11.726 -8.898 1.00 0.00 H new ATOM 465 N GLY A 85 -5.352 7.974 -8.295 1.00 0.00 N ATOM 466 CA GLY A 85 -4.184 7.366 -7.640 1.00 0.00 C ATOM 467 C GLY A 85 -3.653 8.233 -6.509 1.00 0.00 C ATOM 468 O GLY A 85 -2.658 8.926 -6.669 1.00 0.00 O ATOM 0 H GLY A 85 -6.173 7.368 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.457 6.386 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.396 7.208 -8.377 1.00 0.00 H new ATOM 469 N LEU A 86 -4.502 8.353 -5.489 1.00 0.00 N ATOM 470 CA LEU A 86 -4.079 9.006 -4.243 1.00 0.00 C ATOM 471 C LEU A 86 -4.411 8.107 -3.058 1.00 0.00 C ATOM 472 O LEU A 86 -5.578 7.834 -2.778 1.00 0.00 O ATOM 473 CB LEU A 86 -4.686 10.396 -4.073 1.00 0.00 C ATOM 474 CG LEU A 86 -3.823 11.258 -3.145 1.00 0.00 C ATOM 475 CD1 LEU A 86 -3.991 12.728 -3.522 1.00 0.00 C ATOM 476 CD2 LEU A 86 -4.125 11.031 -1.662 1.00 0.00 C ATOM 0 H LEU A 86 -5.465 8.017 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.000 9.154 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.776 10.879 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.693 10.310 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.785 10.957 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.379 13.345 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.677 12.877 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.038 13.013 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.481 11.670 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.169 11.274 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.940 9.987 -1.409 1.00 0.00 H new ATOM 477 N LEU A 87 -3.349 7.573 -2.471 1.00 0.00 N ATOM 478 CA LEU A 87 -3.457 6.842 -1.197 1.00 0.00 C ATOM 479 C LEU A 87 -3.527 7.814 -0.030 1.00 0.00 C ATOM 480 O LEU A 87 -2.643 8.632 0.244 1.00 0.00 O ATOM 481 CB LEU A 87 -2.238 5.969 -0.929 1.00 0.00 C ATOM 482 CG LEU A 87 -2.141 4.689 -1.744 1.00 0.00 C ATOM 483 CD1 LEU A 87 -0.724 4.124 -1.632 1.00 0.00 C ATOM 484 CD2 LEU A 87 -3.133 3.685 -1.190 1.00 0.00 C ATOM 0 H LEU A 87 -2.403 7.627 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.356 6.231 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.343 6.563 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.231 5.704 0.128 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.365 4.893 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.651 3.206 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.010 4.854 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.500 3.909 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.075 2.761 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.897 3.478 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.141 4.093 -1.260 1.00 0.00 H new ATOM 485 N TYR A 88 -4.593 7.535 0.696 1.00 0.00 N ATOM 486 CA TYR A 88 -4.952 8.207 1.942 1.00 0.00 C ATOM 487 C TYR A 88 -5.414 7.184 2.980 1.00 0.00 C ATOM 488 O TYR A 88 -5.671 6.020 2.660 1.00 0.00 O ATOM 489 CB TYR A 88 -6.003 9.312 1.731 1.00 0.00 C ATOM 490 CG TYR A 88 -7.297 8.833 1.066 1.00 0.00 C ATOM 491 CD1 TYR A 88 -8.335 8.291 1.852 1.00 0.00 C ATOM 492 CD2 TYR A 88 -7.354 8.816 -0.345 1.00 0.00 C ATOM 493 CE1 TYR A 88 -9.423 7.656 1.213 1.00 0.00 C ATOM 494 CE2 TYR A 88 -8.429 8.180 -0.981 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.443 7.599 -0.193 1.00 0.00 C ATOM 496 OH TYR A 88 -10.355 6.786 -0.786 1.00 0.00 O ATOM 0 H TYR A 88 -5.259 6.810 0.430 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.058 8.705 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.247 9.754 2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.565 10.102 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.298 8.361 2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.577 9.288 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.225 7.222 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.480 8.136 -2.059 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.348 6.938 -1.754 1.00 0.00 H new ATOM 497 N GLY A 89 -5.373 7.624 4.220 1.00 0.00 N ATOM 498 CA GLY A 89 -5.896 6.874 5.373 1.00 0.00 C ATOM 499 C GLY A 89 -7.285 7.389 5.744 1.00 0.00 C ATOM 500 O GLY A 89 -7.436 8.453 6.338 1.00 0.00 O ATOM 0 H GLY A 89 -4.971 8.527 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.945 5.812 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.221 6.979 6.222 1.00 0.00 H new ATOM 501 N SER A 90 -8.267 6.570 5.387 1.00 0.00 N ATOM 502 CA SER A 90 -9.701 6.876 5.602 1.00 0.00 C ATOM 503 C SER A 90 -10.281 6.204 6.830 1.00 0.00 C ATOM 504 O SER A 90 -9.908 5.114 7.256 1.00 0.00 O ATOM 505 CB SER A 90 -10.502 6.495 4.354 1.00 0.00 C ATOM 506 OG SER A 90 -11.891 6.813 4.476 1.00 0.00 O ATOM 0 H SER A 90 -8.105 5.669 4.938 1.00 0.00 H new ATOM 0 HA SER A 90 -9.775 7.949 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.089 7.013 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.392 5.427 4.168 1.00 0.00 H new ATOM 0 HG SER A 90 -12.359 6.553 3.655 1.00 0.00 H new ATOM 507 N GLN A 91 -11.335 6.863 7.239 1.00 0.00 N ATOM 508 CA GLN A 91 -12.185 6.537 8.394 1.00 0.00 C ATOM 509 C GLN A 91 -13.220 5.430 8.086 1.00 0.00 C ATOM 510 O GLN A 91 -13.725 4.769 8.996 1.00 0.00 O ATOM 511 CB GLN A 91 -12.814 7.852 8.833 1.00 0.00 C ATOM 512 CG GLN A 91 -13.730 8.422 7.763 1.00 0.00 C ATOM 513 CD GLN A 91 -14.487 9.655 8.263 1.00 0.00 C ATOM 514 OE1 GLN A 91 -14.057 10.792 8.163 1.00 0.00 O ATOM 515 NE2 GLN A 91 -15.644 9.419 8.836 1.00 0.00 N ATOM 0 H GLN A 91 -11.657 7.700 6.753 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.597 6.106 9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.380 7.696 9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.029 8.573 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.142 8.688 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -14.443 7.659 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.990 8.462 8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.197 10.192 9.205 1.00 0.00 H new ATOM 516 N THR A 92 -13.566 5.306 6.809 1.00 0.00 N ATOM 517 CA THR A 92 -14.587 4.373 6.324 1.00 0.00 C ATOM 518 C THR A 92 -13.977 3.382 5.318 1.00 0.00 C ATOM 519 O THR A 92 -13.549 3.800 4.234 1.00 0.00 O ATOM 520 CB THR A 92 -15.751 5.103 5.636 1.00 0.00 C ATOM 521 OG1 THR A 92 -15.237 5.970 4.624 1.00 0.00 O ATOM 522 CG2 THR A 92 -16.657 5.837 6.626 1.00 0.00 C ATOM 0 H THR A 92 -13.139 5.859 6.066 1.00 0.00 H new ATOM 0 HA THR A 92 -14.967 3.843 7.197 1.00 0.00 H new ATOM 0 HB THR A 92 -16.391 4.357 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.457 5.553 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 92 -17.461 6.334 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.082 5.121 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.074 6.579 7.171 1.00 0.00 H new ATOM 523 N PRO A 93 -13.913 2.100 5.690 1.00 0.00 N ATOM 524 CA PRO A 93 -13.439 1.052 4.789 1.00 0.00 C ATOM 525 C PRO A 93 -14.526 0.668 3.766 1.00 0.00 C ATOM 526 O PRO A 93 -15.713 0.579 4.089 1.00 0.00 O ATOM 527 CB PRO A 93 -13.083 -0.104 5.723 1.00 0.00 C ATOM 528 CG PRO A 93 -14.063 0.042 6.883 1.00 0.00 C ATOM 529 CD PRO A 93 -14.185 1.565 7.038 1.00 0.00 C ATOM 0 HA PRO A 93 -12.586 1.361 4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.194 -1.068 5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.050 -0.038 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.025 -0.420 6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.687 -0.428 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.179 1.850 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.471 1.948 7.768 1.00 0.00 H new ATOM 530 N ASN A 94 -14.088 0.648 2.524 1.00 0.00 N ATOM 531 CA ASN A 94 -14.917 0.228 1.375 1.00 0.00 C ATOM 532 C ASN A 94 -14.014 -0.238 0.222 1.00 0.00 C ATOM 533 O ASN A 94 -12.800 -0.316 0.377 1.00 0.00 O ATOM 534 CB ASN A 94 -15.805 1.394 0.910 1.00 0.00 C ATOM 535 CG ASN A 94 -17.248 0.890 0.874 1.00 0.00 C ATOM 536 OD1 ASN A 94 -17.678 0.328 -0.124 1.00 0.00 O ATOM 537 ND2 ASN A 94 -17.896 0.871 2.014 1.00 0.00 N ATOM 0 H ASN A 94 -13.141 0.922 2.264 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.556 -0.600 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.712 2.241 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.496 1.741 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -18.786 0.378 2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -17.510 1.350 2.828 1.00 0.00 H new ATOM 538 N GLU A 95 -14.643 -0.368 -0.944 1.00 0.00 N ATOM 539 CA GLU A 95 -14.046 -0.672 -2.258 1.00 0.00 C ATOM 540 C GLU A 95 -12.652 -0.099 -2.568 1.00 0.00 C ATOM 541 O GLU A 95 -11.766 -0.812 -3.042 1.00 0.00 O ATOM 542 CB GLU A 95 -15.050 -0.322 -3.369 1.00 0.00 C ATOM 543 CG GLU A 95 -15.870 0.971 -3.258 1.00 0.00 C ATOM 544 CD GLU A 95 -15.049 2.263 -3.237 1.00 0.00 C ATOM 545 OE1 GLU A 95 -14.593 2.677 -4.316 1.00 0.00 O ATOM 546 OE2 GLU A 95 -14.821 2.750 -2.111 1.00 0.00 O ATOM 0 H GLU A 95 -15.655 -0.257 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.845 -1.742 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -14.499 -0.281 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.754 -1.151 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.565 1.015 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.469 0.925 -2.349 1.00 0.00 H new ATOM 547 N GLU A 96 -12.400 1.108 -2.075 1.00 0.00 N ATOM 548 CA GLU A 96 -11.125 1.819 -2.261 1.00 0.00 C ATOM 549 C GLU A 96 -9.978 1.291 -1.400 1.00 0.00 C ATOM 550 O GLU A 96 -8.860 1.137 -1.863 1.00 0.00 O ATOM 551 CB GLU A 96 -11.292 3.315 -1.993 1.00 0.00 C ATOM 552 CG GLU A 96 -11.849 4.001 -3.238 1.00 0.00 C ATOM 553 CD GLU A 96 -12.161 5.485 -3.020 1.00 0.00 C ATOM 554 OE1 GLU A 96 -13.305 5.748 -2.598 1.00 0.00 O ATOM 555 OE2 GLU A 96 -11.263 6.308 -3.279 1.00 0.00 O ATOM 0 H GLU A 96 -13.080 1.634 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.854 1.639 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.964 3.470 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.332 3.755 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.130 3.903 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.758 3.488 -3.552 1.00 0.00 H new ATOM 556 N CYS A 97 -10.374 0.873 -0.206 1.00 0.00 N ATOM 557 CA CYS A 97 -9.453 0.330 0.793 1.00 0.00 C ATOM 558 C CYS A 97 -9.186 -1.184 0.620 1.00 0.00 C ATOM 559 O CYS A 97 -8.338 -1.773 1.274 1.00 0.00 O ATOM 560 CB CYS A 97 -9.961 0.562 2.218 1.00 0.00 C ATOM 561 SG CYS A 97 -8.808 0.098 3.565 1.00 0.00 S ATOM 0 H CYS A 97 -11.346 0.899 0.102 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.520 0.869 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.210 1.618 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.886 0.001 2.349 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.599 0.451 3.242 1.00 0.00 H new ATOM 562 N LEU A 98 -9.959 -1.796 -0.286 1.00 0.00 N ATOM 563 CA LEU A 98 -9.815 -3.220 -0.632 1.00 0.00 C ATOM 564 C LEU A 98 -8.678 -3.450 -1.605 1.00 0.00 C ATOM 565 O LEU A 98 -8.771 -3.248 -2.820 1.00 0.00 O ATOM 566 CB LEU A 98 -11.162 -3.733 -1.123 1.00 0.00 C ATOM 567 CG LEU A 98 -12.001 -4.097 0.090 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.480 -4.167 -0.312 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.566 -5.378 0.794 1.00 0.00 C ATOM 0 H LEU A 98 -10.701 -1.321 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.536 -3.797 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.665 -2.971 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.026 -4.602 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.846 -3.306 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.082 -4.428 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.799 -3.198 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.612 -4.925 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.218 -5.563 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.631 -6.215 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.537 -5.272 1.139 1.00 0.00 H new ATOM 570 N PHE A 99 -7.579 -3.839 -0.991 1.00 0.00 N ATOM 571 CA PHE A 99 -6.285 -3.943 -1.676 1.00 0.00 C ATOM 572 C PHE A 99 -5.915 -5.380 -1.993 1.00 0.00 C ATOM 573 O PHE A 99 -5.540 -6.181 -1.139 1.00 0.00 O ATOM 574 CB PHE A 99 -5.170 -3.300 -0.864 1.00 0.00 C ATOM 575 CG PHE A 99 -5.240 -1.784 -0.651 1.00 0.00 C ATOM 576 CD1 PHE A 99 -6.177 -0.990 -1.365 1.00 0.00 C ATOM 577 CD2 PHE A 99 -4.119 -1.178 -0.049 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.961 0.385 -1.527 1.00 0.00 C ATOM 579 CE2 PHE A 99 -3.892 0.204 -0.191 1.00 0.00 C ATOM 580 CZ PHE A 99 -4.825 0.962 -0.941 1.00 0.00 C ATOM 0 H PHE A 99 -7.547 -4.094 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.398 -3.404 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.148 -3.778 0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.222 -3.529 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.060 -1.448 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.429 -1.778 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.656 0.989 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.030 0.674 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.655 2.021 -1.066 1.00 0.00 H new ATOM 581 N LEU A 100 -6.264 -5.698 -3.220 1.00 0.00 N ATOM 582 CA LEU A 100 -6.048 -7.012 -3.837 1.00 0.00 C ATOM 583 C LEU A 100 -4.605 -7.467 -3.862 1.00 0.00 C ATOM 584 O LEU A 100 -3.785 -6.946 -4.611 1.00 0.00 O ATOM 585 CB LEU A 100 -6.614 -7.111 -5.254 1.00 0.00 C ATOM 586 CG LEU A 100 -7.983 -7.740 -5.117 1.00 0.00 C ATOM 587 CD1 LEU A 100 -9.087 -6.784 -5.576 1.00 0.00 C ATOM 588 CD2 LEU A 100 -8.106 -9.039 -5.909 1.00 0.00 C ATOM 0 H LEU A 100 -6.722 -5.036 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.599 -7.681 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.682 -6.126 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.969 -7.717 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.103 -7.961 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.057 -7.268 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.061 -5.879 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.930 -6.523 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.106 -9.451 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.931 -8.839 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.368 -9.756 -5.549 1.00 0.00 H new ATOM 589 N GLU A 101 -4.349 -8.352 -2.899 1.00 0.00 N ATOM 590 CA GLU A 101 -3.058 -9.056 -2.773 1.00 0.00 C ATOM 591 C GLU A 101 -2.689 -9.813 -4.050 1.00 0.00 C ATOM 592 O GLU A 101 -3.044 -10.966 -4.288 1.00 0.00 O ATOM 593 CB GLU A 101 -3.039 -10.029 -1.598 1.00 0.00 C ATOM 594 CG GLU A 101 -3.168 -9.346 -0.231 1.00 0.00 C ATOM 595 CD GLU A 101 -2.423 -10.147 0.829 1.00 0.00 C ATOM 596 OE1 GLU A 101 -1.202 -9.863 0.990 1.00 0.00 O ATOM 597 OE2 GLU A 101 -3.045 -11.042 1.435 1.00 0.00 O ATOM 0 H GLU A 101 -5.026 -8.606 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.319 -8.275 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.854 -10.743 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.110 -10.598 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.766 -8.334 -0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.220 -9.257 0.042 1.00 0.00 H new ATOM 598 N ARG A 102 -1.888 -9.111 -4.823 1.00 0.00 N ATOM 599 CA ARG A 102 -1.380 -9.558 -6.126 1.00 0.00 C ATOM 600 C ARG A 102 0.119 -9.833 -5.967 1.00 0.00 C ATOM 601 O ARG A 102 0.982 -8.990 -6.220 1.00 0.00 O ATOM 602 CB ARG A 102 -1.662 -8.449 -7.128 1.00 0.00 C ATOM 603 CG ARG A 102 -1.276 -8.835 -8.565 1.00 0.00 C ATOM 604 CD ARG A 102 -2.169 -9.937 -9.167 1.00 0.00 C ATOM 605 NE ARG A 102 -3.539 -9.437 -9.364 1.00 0.00 N ATOM 606 CZ ARG A 102 -4.662 -9.945 -8.853 1.00 0.00 C ATOM 607 NH1 ARG A 102 -4.703 -11.112 -8.237 1.00 0.00 N ATOM 608 NH2 ARG A 102 -5.829 -9.371 -9.118 1.00 0.00 N ATOM 0 H ARG A 102 -1.555 -8.182 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.858 -10.471 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.722 -8.197 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.113 -7.554 -6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.330 -7.949 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.239 -9.172 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.756 -10.269 -10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.183 -10.804 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.641 -8.612 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.852 -11.666 -8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.585 -11.460 -7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.867 -8.542 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.688 -9.758 -8.728 1.00 0.00 H new ATOM 609 N LEU A 103 0.366 -10.913 -5.242 1.00 0.00 N ATOM 610 CA LEU A 103 1.721 -11.480 -5.149 1.00 0.00 C ATOM 611 C LEU A 103 2.155 -11.935 -6.552 1.00 0.00 C ATOM 612 O LEU A 103 1.592 -12.815 -7.206 1.00 0.00 O ATOM 613 CB LEU A 103 1.796 -12.554 -4.059 1.00 0.00 C ATOM 614 CG LEU A 103 3.227 -13.073 -3.854 1.00 0.00 C ATOM 615 CD1 LEU A 103 3.512 -13.292 -2.370 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.508 -14.326 -4.681 1.00 0.00 C ATOM 0 H LEU A 103 -0.342 -11.418 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 103 2.443 -10.731 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.422 -12.144 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.144 -13.386 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 103 3.913 -12.308 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.531 -13.660 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.399 -12.349 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.811 -14.024 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.531 -14.657 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.816 -15.116 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.378 -14.100 -5.739 1.00 0.00 H new ATOM 617 N GLU A 104 3.023 -11.051 -7.023 1.00 0.00 N ATOM 618 CA GLU A 104 3.423 -10.882 -8.424 1.00 0.00 C ATOM 619 C GLU A 104 4.378 -11.940 -9.005 1.00 0.00 C ATOM 620 O GLU A 104 5.315 -11.631 -9.756 1.00 0.00 O ATOM 621 CB GLU A 104 3.936 -9.435 -8.594 1.00 0.00 C ATOM 622 CG GLU A 104 5.071 -9.103 -7.616 1.00 0.00 C ATOM 623 CD GLU A 104 5.850 -7.843 -7.976 1.00 0.00 C ATOM 624 OE1 GLU A 104 6.395 -7.808 -9.106 1.00 0.00 O ATOM 625 OE2 GLU A 104 6.015 -6.991 -7.077 1.00 0.00 O ATOM 0 H GLU A 104 3.498 -10.391 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 104 2.537 -11.057 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.287 -9.294 -9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.111 -8.739 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.653 -8.986 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.761 -9.946 -7.576 1.00 0.00 H new ATOM 626 N GLU A 105 3.977 -13.196 -8.821 1.00 0.00 N ATOM 627 CA GLU A 105 4.668 -14.436 -9.259 1.00 0.00 C ATOM 628 C GLU A 105 6.021 -14.677 -8.574 1.00 0.00 C ATOM 629 O GLU A 105 6.376 -15.809 -8.254 1.00 0.00 O ATOM 630 CB GLU A 105 4.830 -14.539 -10.785 1.00 0.00 C ATOM 631 CG GLU A 105 3.496 -14.626 -11.537 1.00 0.00 C ATOM 632 CD GLU A 105 2.934 -13.275 -11.999 1.00 0.00 C ATOM 633 OE1 GLU A 105 2.452 -12.502 -11.141 1.00 0.00 O ATOM 634 OE2 GLU A 105 2.956 -13.051 -13.221 1.00 0.00 O ATOM 0 H GLU A 105 3.106 -13.403 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 105 3.993 -15.227 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.384 -13.671 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.429 -15.419 -11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.626 -15.268 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.761 -15.109 -10.893 1.00 0.00 H new ATOM 635 N ASN A 106 6.792 -13.599 -8.440 1.00 0.00 N ATOM 636 CA ASN A 106 8.045 -13.565 -7.658 1.00 0.00 C ATOM 637 C ASN A 106 7.726 -13.293 -6.170 1.00 0.00 C ATOM 638 O ASN A 106 6.590 -12.950 -5.827 1.00 0.00 O ATOM 639 CB ASN A 106 9.022 -12.526 -8.247 1.00 0.00 C ATOM 640 CG ASN A 106 8.494 -11.091 -8.265 1.00 0.00 C ATOM 641 OD1 ASN A 106 8.181 -10.506 -7.241 1.00 0.00 O ATOM 642 ND2 ASN A 106 8.397 -10.497 -9.435 1.00 0.00 N ATOM 0 H ASN A 106 6.567 -12.705 -8.876 1.00 0.00 H new ATOM 0 HA ASN A 106 8.539 -14.535 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.948 -12.551 -7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.272 -12.820 -9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.057 -9.537 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.662 -10.996 -10.284 1.00 0.00 H new ATOM 643 N HIS A 107 8.780 -13.333 -5.365 1.00 0.00 N ATOM 644 CA HIS A 107 8.799 -13.137 -3.899 1.00 0.00 C ATOM 645 C HIS A 107 7.918 -12.014 -3.343 1.00 0.00 C ATOM 646 O HIS A 107 7.514 -12.040 -2.186 1.00 0.00 O ATOM 647 CB HIS A 107 10.247 -12.809 -3.520 1.00 0.00 C ATOM 648 CG HIS A 107 11.241 -13.910 -3.851 1.00 0.00 C ATOM 649 ND1 HIS A 107 11.107 -15.209 -3.580 1.00 0.00 N ATOM 650 CD2 HIS A 107 12.393 -13.742 -4.479 1.00 0.00 C ATOM 651 CE1 HIS A 107 12.184 -15.840 -4.036 1.00 0.00 C ATOM 652 NE2 HIS A 107 12.972 -14.930 -4.592 1.00 0.00 N ATOM 0 H HIS A 107 9.714 -13.515 -5.732 1.00 0.00 H new ATOM 0 HA HIS A 107 8.397 -14.055 -3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.548 -11.896 -4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.293 -12.602 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.791 -12.804 -4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.381 -16.900 -3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 107 13.873 -15.113 -5.033 1.00 0.00 H new ATOM 653 N TYR A 108 7.853 -10.941 -4.130 1.00 0.00 N ATOM 654 CA TYR A 108 7.111 -9.717 -3.830 1.00 0.00 C ATOM 655 C TYR A 108 5.605 -9.903 -3.870 1.00 0.00 C ATOM 656 O TYR A 108 5.026 -10.470 -4.795 1.00 0.00 O ATOM 657 CB TYR A 108 7.513 -8.618 -4.816 1.00 0.00 C ATOM 658 CG TYR A 108 8.958 -8.169 -4.632 1.00 0.00 C ATOM 659 CD1 TYR A 108 9.227 -7.313 -3.546 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.992 -8.828 -5.334 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.547 -7.114 -3.137 1.00 0.00 C ATOM 662 CE2 TYR A 108 11.326 -8.631 -4.921 1.00 0.00 C ATOM 663 CZ TYR A 108 11.571 -7.773 -3.828 1.00 0.00 C ATOM 664 OH TYR A 108 12.851 -7.425 -3.531 1.00 0.00 O ATOM 0 H TYR A 108 8.334 -10.899 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 108 7.370 -9.436 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.375 -8.980 -5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.851 -7.761 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.418 -6.814 -3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.765 -9.471 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.774 -6.465 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 108 12.141 -9.125 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 108 12.858 -6.550 -3.090 1.00 0.00 H new ATOM 665 N ASN A 109 5.030 -9.062 -3.040 1.00 0.00 N ATOM 666 CA ASN A 109 3.582 -8.939 -2.852 1.00 0.00 C ATOM 667 C ASN A 109 3.183 -7.509 -3.206 1.00 0.00 C ATOM 668 O ASN A 109 3.869 -6.542 -2.872 1.00 0.00 O ATOM 669 CB ASN A 109 3.202 -9.246 -1.405 1.00 0.00 C ATOM 670 CG ASN A 109 1.742 -9.645 -1.203 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.801 -9.163 -1.811 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.525 -10.537 -0.259 1.00 0.00 N ATOM 0 H ASN A 109 5.564 -8.420 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 109 3.061 -9.650 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.839 -10.051 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.413 -8.369 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.571 -10.824 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.310 -10.941 0.251 1.00 0.00 H new ATOM 673 N THR A 110 2.032 -7.415 -3.847 1.00 0.00 N ATOM 674 CA THR A 110 1.543 -6.128 -4.378 1.00 0.00 C ATOM 675 C THR A 110 0.028 -6.019 -4.157 1.00 0.00 C ATOM 676 O THR A 110 -0.628 -6.974 -3.730 1.00 0.00 O ATOM 677 CB THR A 110 1.914 -5.933 -5.856 1.00 0.00 C ATOM 678 OG1 THR A 110 3.251 -6.400 -6.099 1.00 0.00 O ATOM 679 CG2 THR A 110 1.904 -4.443 -6.209 1.00 0.00 C ATOM 0 H THR A 110 1.410 -8.205 -4.019 1.00 0.00 H new ATOM 0 HA THR A 110 2.037 -5.324 -3.832 1.00 0.00 H new ATOM 0 HB THR A 110 1.189 -6.486 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.875 -5.646 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.168 -4.316 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.909 -4.034 -6.033 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.628 -3.917 -5.586 1.00 0.00 H new ATOM 680 N TYR A 111 -0.516 -4.831 -4.421 1.00 0.00 N ATOM 681 CA TYR A 111 -1.921 -4.524 -4.109 1.00 0.00 C ATOM 682 C TYR A 111 -2.561 -3.752 -5.264 1.00 0.00 C ATOM 683 O TYR A 111 -1.933 -2.852 -5.827 1.00 0.00 O ATOM 684 CB TYR A 111 -2.028 -3.705 -2.816 1.00 0.00 C ATOM 685 CG TYR A 111 -1.396 -4.411 -1.618 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.060 -5.494 -1.016 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.060 -4.069 -1.287 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.362 -6.300 -0.100 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.637 -4.875 -0.371 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.014 -5.989 0.193 1.00 0.00 C ATOM 691 OH TYR A 111 0.732 -6.918 0.850 1.00 0.00 O ATOM 0 H TYR A 111 -0.007 -4.060 -4.852 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.451 -5.466 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.543 -2.740 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.078 -3.506 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.092 -5.704 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.413 -3.205 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.847 -7.142 0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.657 -4.643 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 111 1.639 -6.573 0.985 1.00 0.00 H new ATOM 692 N ILE A 112 -3.645 -4.325 -5.752 1.00 0.00 N ATOM 693 CA ILE A 112 -4.534 -3.649 -6.716 1.00 0.00 C ATOM 694 C ILE A 112 -5.728 -3.126 -5.916 1.00 0.00 C ATOM 695 O ILE A 112 -6.426 -3.897 -5.252 1.00 0.00 O ATOM 696 CB ILE A 112 -4.997 -4.575 -7.861 1.00 0.00 C ATOM 697 CG1 ILE A 112 -3.767 -5.121 -8.609 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.952 -3.846 -8.819 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.079 -6.221 -9.633 1.00 0.00 C ATOM 0 H ILE A 112 -3.945 -5.267 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.994 -2.840 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.551 -5.411 -7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.273 -4.295 -9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.058 -5.512 -7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.259 -4.526 -9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.831 -3.509 -8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.444 -2.985 -9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.155 -6.546 -10.111 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.543 -7.068 -9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.761 -5.832 -10.389 1.00 0.00 H new ATOM 700 N SER A 113 -5.927 -1.818 -5.976 1.00 0.00 N ATOM 701 CA SER A 113 -7.116 -1.252 -5.326 1.00 0.00 C ATOM 702 C SER A 113 -8.372 -1.618 -6.118 1.00 0.00 C ATOM 703 O SER A 113 -8.564 -1.254 -7.277 1.00 0.00 O ATOM 704 CB SER A 113 -7.049 0.263 -5.139 1.00 0.00 C ATOM 705 OG SER A 113 -8.225 0.681 -4.451 1.00 0.00 O ATOM 0 H SER A 113 -5.316 -1.148 -6.444 1.00 0.00 H new ATOM 0 HA SER A 113 -7.154 -1.689 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.160 0.537 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.977 0.762 -6.105 1.00 0.00 H new ATOM 0 HG SER A 113 -8.048 0.710 -3.488 1.00 0.00 H new ATOM 706 N LYS A 114 -9.122 -2.499 -5.457 1.00 0.00 N ATOM 707 CA LYS A 114 -10.344 -3.147 -5.970 1.00 0.00 C ATOM 708 C LYS A 114 -11.249 -2.263 -6.857 1.00 0.00 C ATOM 709 O LYS A 114 -11.715 -2.739 -7.897 1.00 0.00 O ATOM 710 CB LYS A 114 -11.163 -3.695 -4.801 1.00 0.00 C ATOM 711 CG LYS A 114 -12.412 -4.421 -5.274 1.00 0.00 C ATOM 712 CD LYS A 114 -13.183 -5.028 -4.099 1.00 0.00 C ATOM 713 CE LYS A 114 -14.574 -5.390 -4.590 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.005 -6.588 -3.888 1.00 0.00 N ATOM 0 H LYS A 114 -8.891 -2.798 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.987 -3.942 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.547 -4.377 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.448 -2.875 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.056 -3.727 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.134 -5.208 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.669 -5.912 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.242 -4.318 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.268 -4.570 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.565 -5.562 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.957 -6.855 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.342 -7.364 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.024 -6.403 -2.865 1.00 0.00 H new ATOM 715 N LYS A 115 -11.486 -1.004 -6.467 1.00 0.00 N ATOM 716 CA LYS A 115 -12.410 -0.119 -7.206 1.00 0.00 C ATOM 717 C LYS A 115 -12.072 0.024 -8.706 1.00 0.00 C ATOM 718 O LYS A 115 -12.948 0.315 -9.521 1.00 0.00 O ATOM 719 CB LYS A 115 -12.594 1.235 -6.480 1.00 0.00 C ATOM 720 CG LYS A 115 -11.741 2.419 -6.949 1.00 0.00 C ATOM 721 CD LYS A 115 -10.258 2.278 -6.636 1.00 0.00 C ATOM 722 CE LYS A 115 -9.477 3.444 -7.221 1.00 0.00 C ATOM 723 NZ LYS A 115 -8.054 3.233 -6.947 1.00 0.00 N ATOM 0 H LYS A 115 -11.056 -0.572 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.382 -0.613 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.642 1.522 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.394 1.077 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.865 2.538 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.115 3.330 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.110 2.239 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.882 1.340 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.650 3.515 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.812 4.383 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.516 4.076 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.917 3.065 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.716 2.408 -7.482 1.00 0.00 H new ATOM 724 N HIS A 116 -10.782 -0.098 -9.034 1.00 0.00 N ATOM 725 CA HIS A 116 -10.299 -0.103 -10.429 1.00 0.00 C ATOM 726 C HIS A 116 -9.583 -1.400 -10.853 1.00 0.00 C ATOM 727 O HIS A 116 -8.677 -1.377 -11.680 1.00 0.00 O ATOM 728 CB HIS A 116 -9.459 1.152 -10.673 1.00 0.00 C ATOM 729 CG HIS A 116 -10.297 2.414 -10.883 1.00 0.00 C ATOM 730 ND1 HIS A 116 -11.623 2.523 -10.784 1.00 0.00 N ATOM 731 CD2 HIS A 116 -9.842 3.576 -11.329 1.00 0.00 C ATOM 732 CE1 HIS A 116 -11.983 3.733 -11.194 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.880 4.389 -11.526 1.00 0.00 N ATOM 0 H HIS A 116 -10.038 -0.196 -8.343 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.174 -0.080 -11.079 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.793 1.305 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.829 0.994 -11.548 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -12.256 1.797 -10.449 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.805 3.823 -11.503 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.992 4.114 -11.247 1.00 0.00 H new ATOM 734 N ALA A 117 -10.192 -2.529 -10.483 1.00 0.00 N ATOM 735 CA ALA A 117 -9.674 -3.881 -10.814 1.00 0.00 C ATOM 736 C ALA A 117 -10.056 -4.381 -12.233 1.00 0.00 C ATOM 737 O ALA A 117 -10.367 -5.549 -12.479 1.00 0.00 O ATOM 738 CB ALA A 117 -10.080 -4.855 -9.702 1.00 0.00 C ATOM 0 H ALA A 117 -11.059 -2.544 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.586 -3.821 -10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.704 -5.851 -9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.658 -4.521 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.167 -4.886 -9.625 1.00 0.00 H new ATOM 739 N GLU A 118 -10.058 -3.410 -13.138 1.00 0.00 N ATOM 740 CA GLU A 118 -10.197 -3.585 -14.610 1.00 0.00 C ATOM 741 C GLU A 118 -9.264 -2.655 -15.398 1.00 0.00 C ATOM 742 O GLU A 118 -8.769 -3.005 -16.458 1.00 0.00 O ATOM 743 CB GLU A 118 -11.663 -3.546 -15.094 1.00 0.00 C ATOM 744 CG GLU A 118 -12.431 -2.215 -14.963 1.00 0.00 C ATOM 745 CD GLU A 118 -12.525 -1.723 -13.518 1.00 0.00 C ATOM 746 OE1 GLU A 118 -13.351 -2.273 -12.765 1.00 0.00 O ATOM 747 OE2 GLU A 118 -11.662 -0.874 -13.195 1.00 0.00 O ATOM 0 H GLU A 118 -9.960 -2.430 -12.872 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.861 -4.599 -14.829 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.676 -3.838 -16.144 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.217 -4.307 -14.545 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.937 -1.455 -15.569 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.436 -2.340 -15.365 1.00 0.00 H new ATOM 748 N LYS A 119 -9.036 -1.480 -14.822 1.00 0.00 N ATOM 749 CA LYS A 119 -7.929 -0.559 -15.162 1.00 0.00 C ATOM 750 C LYS A 119 -6.635 -0.954 -14.412 1.00 0.00 C ATOM 751 O LYS A 119 -5.607 -0.299 -14.580 1.00 0.00 O ATOM 752 CB LYS A 119 -8.472 0.816 -14.768 1.00 0.00 C ATOM 753 CG LYS A 119 -7.866 1.937 -15.608 1.00 0.00 C ATOM 754 CD LYS A 119 -8.458 3.285 -15.182 1.00 0.00 C ATOM 755 CE LYS A 119 -7.750 4.409 -15.917 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.198 5.708 -15.384 1.00 0.00 N ATOM 0 H LYS A 119 -9.632 -1.119 -14.077 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.641 -0.582 -16.213 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.556 0.823 -14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.262 1.000 -13.714 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.783 1.950 -15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.065 1.760 -16.665 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.526 3.310 -15.401 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.350 3.417 -14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.671 4.310 -15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.963 4.350 -16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.904 6.468 -16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.234 5.709 -15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.772 5.865 -14.448 1.00 0.00 H new ATOM 757 N ASN A 120 -6.629 -2.186 -13.880 1.00 0.00 N ATOM 758 CA ASN A 120 -5.644 -2.735 -12.938 1.00 0.00 C ATOM 759 C ASN A 120 -4.745 -1.740 -12.206 1.00 0.00 C ATOM 760 O ASN A 120 -3.521 -1.738 -12.301 1.00 0.00 O ATOM 761 CB ASN A 120 -4.912 -3.903 -13.607 1.00 0.00 C ATOM 762 CG ASN A 120 -5.825 -5.120 -13.625 1.00 0.00 C ATOM 763 OD1 ASN A 120 -6.560 -5.412 -12.692 1.00 0.00 O ATOM 764 ND2 ASN A 120 -5.907 -5.806 -14.745 1.00 0.00 N ATOM 0 H ASN A 120 -7.355 -2.865 -14.110 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.209 -3.110 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.625 -3.634 -14.623 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -3.994 -4.130 -13.066 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.577 -6.570 -14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.300 -5.573 -15.531 1.00 0.00 H new ATOM 765 N TRP A 121 -5.432 -0.982 -11.358 1.00 0.00 N ATOM 766 CA TRP A 121 -4.834 0.084 -10.549 1.00 0.00 C ATOM 767 C TRP A 121 -4.128 -0.411 -9.286 1.00 0.00 C ATOM 768 O TRP A 121 -4.721 -0.647 -8.235 1.00 0.00 O ATOM 769 CB TRP A 121 -5.872 1.153 -10.241 1.00 0.00 C ATOM 770 CG TRP A 121 -5.913 2.233 -11.317 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.667 2.138 -12.627 1.00 0.00 C ATOM 772 CD2 TRP A 121 -6.188 3.558 -11.039 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.756 3.339 -13.200 1.00 0.00 N ATOM 774 CE2 TRP A 121 -6.106 4.228 -12.271 1.00 0.00 C ATOM 775 CE3 TRP A 121 -6.456 4.257 -9.853 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -6.318 5.611 -12.352 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.725 5.631 -9.948 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.701 6.297 -11.187 1.00 0.00 C ATOM 0 H TRP A 121 -6.435 -1.089 -11.208 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.039 0.524 -11.151 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.855 0.690 -10.154 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.648 1.609 -9.277 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.430 1.221 -13.147 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.585 3.543 -14.185 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -6.455 3.754 -8.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -6.190 6.137 -13.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.955 6.188 -9.052 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.978 7.339 -11.243 1.00 0.00 H new ATOM 779 N PHE A 122 -2.817 -0.417 -9.445 1.00 0.00 N ATOM 780 CA PHE A 122 -1.896 -0.934 -8.427 1.00 0.00 C ATOM 781 C PHE A 122 -1.414 0.128 -7.436 1.00 0.00 C ATOM 782 O PHE A 122 -1.520 1.334 -7.644 1.00 0.00 O ATOM 783 CB PHE A 122 -0.685 -1.543 -9.164 1.00 0.00 C ATOM 784 CG PHE A 122 -0.866 -2.978 -9.634 1.00 0.00 C ATOM 785 CD1 PHE A 122 -1.249 -3.218 -10.979 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.269 -3.994 -8.858 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.998 -4.483 -11.561 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.011 -5.248 -9.433 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.364 -5.480 -10.778 1.00 0.00 C ATOM 0 H PHE A 122 -2.352 -0.065 -10.282 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.432 -1.674 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.456 -0.921 -10.029 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.181 -1.501 -8.503 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.729 -2.440 -11.555 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.012 -3.807 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.284 -4.685 -12.583 1.00 0.00 H new ATOM 0 HE2 PHE A 122 0.454 -6.029 -8.850 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.146 -6.440 -11.222 1.00 0.00 H new ATOM 790 N VAL A 123 -0.805 -0.384 -6.363 1.00 0.00 N ATOM 791 CA VAL A 123 -0.191 0.406 -5.292 1.00 0.00 C ATOM 792 C VAL A 123 1.323 0.184 -5.322 1.00 0.00 C ATOM 793 O VAL A 123 1.793 -0.952 -5.342 1.00 0.00 O ATOM 794 CB VAL A 123 -0.762 -0.039 -3.924 1.00 0.00 C ATOM 795 CG1 VAL A 123 -0.198 0.767 -2.754 1.00 0.00 C ATOM 796 CG2 VAL A 123 -2.300 0.018 -3.862 1.00 0.00 C ATOM 0 H VAL A 123 -0.723 -1.389 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.410 1.464 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.444 -1.077 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -0.635 0.410 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 123 0.885 0.646 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -0.441 1.821 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.637 -0.306 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -2.634 1.040 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.719 -0.640 -4.623 1.00 0.00 H new ATOM 797 N GLY A 124 2.019 1.306 -5.502 1.00 0.00 N ATOM 798 CA GLY A 124 3.489 1.357 -5.519 1.00 0.00 C ATOM 799 C GLY A 124 4.043 2.625 -4.865 1.00 0.00 C ATOM 800 O GLY A 124 3.291 3.449 -4.330 1.00 0.00 O ATOM 0 H GLY A 124 1.579 2.216 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.885 0.483 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.839 1.302 -6.550 1.00 0.00 H new ATOM 801 N LEU A 125 5.368 2.654 -4.776 1.00 0.00 N ATOM 802 CA LEU A 125 6.093 3.892 -4.438 1.00 0.00 C ATOM 803 C LEU A 125 7.404 4.089 -5.197 1.00 0.00 C ATOM 804 O LEU A 125 8.205 3.183 -5.425 1.00 0.00 O ATOM 805 CB LEU A 125 6.204 4.147 -2.922 1.00 0.00 C ATOM 806 CG LEU A 125 7.140 3.219 -2.133 1.00 0.00 C ATOM 807 CD1 LEU A 125 8.585 3.730 -2.193 1.00 0.00 C ATOM 808 CD2 LEU A 125 6.711 3.197 -0.669 1.00 0.00 C ATOM 0 H LEU A 125 5.967 1.843 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 125 5.452 4.689 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.538 5.174 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.206 4.071 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 125 7.084 2.223 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.232 3.059 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.916 3.765 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.635 4.730 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.373 2.539 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.766 4.205 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.687 2.831 -0.595 1.00 0.00 H new ATOM 809 N LYS A 126 7.597 5.365 -5.481 1.00 0.00 N ATOM 810 CA LYS A 126 8.767 5.915 -6.171 1.00 0.00 C ATOM 811 C LYS A 126 9.815 6.240 -5.109 1.00 0.00 C ATOM 812 O LYS A 126 9.521 6.838 -4.066 1.00 0.00 O ATOM 813 CB LYS A 126 8.310 7.180 -6.916 1.00 0.00 C ATOM 814 CG LYS A 126 9.459 7.867 -7.651 1.00 0.00 C ATOM 815 CD LYS A 126 8.958 9.004 -8.539 1.00 0.00 C ATOM 816 CE LYS A 126 10.100 9.730 -9.250 1.00 0.00 C ATOM 817 NZ LYS A 126 10.883 8.861 -10.137 1.00 0.00 N ATOM 0 H LYS A 126 6.918 6.083 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 126 9.199 5.219 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 126 7.531 6.916 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 126 7.868 7.878 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 126 10.173 8.258 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 126 9.991 7.136 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.266 8.605 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.399 9.717 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 126 9.689 10.555 -9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 126 10.763 10.166 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 11.574 9.434 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 11.385 8.148 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 10.246 8.385 -10.807 1.00 0.00 H new ATOM 818 N LYS A 127 11.039 5.888 -5.457 1.00 0.00 N ATOM 819 CA LYS A 127 12.260 6.139 -4.652 1.00 0.00 C ATOM 820 C LYS A 127 12.457 7.574 -4.157 1.00 0.00 C ATOM 821 O LYS A 127 13.141 7.815 -3.160 1.00 0.00 O ATOM 822 CB LYS A 127 13.490 5.651 -5.397 1.00 0.00 C ATOM 823 CG LYS A 127 13.693 6.386 -6.728 1.00 0.00 C ATOM 824 CD LYS A 127 14.725 5.646 -7.570 1.00 0.00 C ATOM 825 CE LYS A 127 14.378 5.817 -9.036 1.00 0.00 C ATOM 826 NZ LYS A 127 14.660 7.199 -9.448 1.00 0.00 N ATOM 0 H LYS A 127 11.236 5.403 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 127 12.111 5.564 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 127 14.371 5.789 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 127 13.398 4.581 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 127 12.748 6.450 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.025 7.408 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.723 6.036 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.738 4.588 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.958 5.120 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 127 13.326 5.584 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 14.536 7.287 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.006 7.846 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.639 7.444 -9.196 1.00 0.00 H new ATOM 827 N ASN A 128 11.823 8.524 -4.844 1.00 0.00 N ATOM 828 CA ASN A 128 11.753 9.939 -4.446 1.00 0.00 C ATOM 829 C ASN A 128 10.713 10.208 -3.330 1.00 0.00 C ATOM 830 O ASN A 128 10.010 11.215 -3.331 1.00 0.00 O ATOM 831 CB ASN A 128 11.495 10.729 -5.716 1.00 0.00 C ATOM 832 CG ASN A 128 12.774 10.755 -6.569 1.00 0.00 C ATOM 833 OD1 ASN A 128 13.048 9.888 -7.382 1.00 0.00 O ATOM 834 ND2 ASN A 128 13.570 11.764 -6.335 1.00 0.00 N ATOM 0 H ASN A 128 11.330 8.331 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 128 12.691 10.255 -3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 128 10.678 10.277 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 128 11.188 11.745 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 128 14.453 11.845 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 128 13.309 12.471 -5.648 1.00 0.00 H new ATOM 835 N GLY A 129 10.600 9.203 -2.458 1.00 0.00 N ATOM 836 CA GLY A 129 9.737 9.170 -1.250 1.00 0.00 C ATOM 837 C GLY A 129 8.248 9.479 -1.496 1.00 0.00 C ATOM 838 O GLY A 129 7.541 9.896 -0.587 1.00 0.00 O ATOM 0 H GLY A 129 11.131 8.340 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.816 8.183 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 129 10.125 9.887 -0.527 1.00 0.00 H new ATOM 839 N SER A 130 7.753 9.069 -2.658 1.00 0.00 N ATOM 840 CA SER A 130 6.387 9.407 -3.099 1.00 0.00 C ATOM 841 C SER A 130 5.650 8.190 -3.624 1.00 0.00 C ATOM 842 O SER A 130 6.207 7.359 -4.334 1.00 0.00 O ATOM 843 CB SER A 130 6.414 10.492 -4.179 1.00 0.00 C ATOM 844 OG SER A 130 7.415 10.209 -5.166 1.00 0.00 O ATOM 0 H SER A 130 8.275 8.497 -3.323 1.00 0.00 H new ATOM 0 HA SER A 130 5.855 9.782 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.436 10.560 -4.656 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.613 11.461 -3.721 1.00 0.00 H new ATOM 0 HG SER A 130 7.413 10.915 -5.846 1.00 0.00 H new ATOM 845 N CYS A 131 4.417 8.042 -3.170 1.00 0.00 N ATOM 846 CA CYS A 131 3.548 6.899 -3.525 1.00 0.00 C ATOM 847 C CYS A 131 2.976 6.971 -4.935 1.00 0.00 C ATOM 848 O CYS A 131 2.122 7.792 -5.258 1.00 0.00 O ATOM 849 CB CYS A 131 2.446 6.696 -2.500 1.00 0.00 C ATOM 850 SG CYS A 131 2.981 5.667 -1.089 1.00 0.00 S ATOM 0 H CYS A 131 3.974 8.709 -2.539 1.00 0.00 H new ATOM 0 HA CYS A 131 4.201 6.026 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 131 2.114 7.667 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 131 1.588 6.227 -2.982 1.00 0.00 H new ATOM 0 HG CYS A 131 1.949 5.358 -0.361 1.00 0.00 H new ATOM 851 N LYS A 132 3.869 6.482 -5.776 1.00 0.00 N ATOM 852 CA LYS A 132 3.688 6.195 -7.203 1.00 0.00 C ATOM 853 C LYS A 132 2.495 5.239 -7.365 1.00 0.00 C ATOM 854 O LYS A 132 2.561 4.111 -6.871 1.00 0.00 O ATOM 855 CB LYS A 132 4.960 5.533 -7.728 1.00 0.00 C ATOM 856 CG LYS A 132 4.973 5.156 -9.227 1.00 0.00 C ATOM 857 CD LYS A 132 4.749 6.345 -10.172 1.00 0.00 C ATOM 858 CE LYS A 132 5.747 7.491 -9.996 1.00 0.00 C ATOM 859 NZ LYS A 132 7.093 7.098 -10.453 1.00 0.00 N ATOM 0 H LYS A 132 4.813 6.255 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 132 3.496 7.111 -7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 132 5.797 6.204 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 132 5.138 4.628 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 132 5.929 4.691 -9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.200 4.409 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.801 5.990 -11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 132 3.741 6.731 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.409 8.362 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.787 7.785 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.592 7.933 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.627 6.698 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.010 6.385 -11.206 1.00 0.00 H new ATOM 860 N ARG A 133 1.373 5.813 -7.763 1.00 0.00 N ATOM 861 CA ARG A 133 0.100 5.100 -8.004 1.00 0.00 C ATOM 862 C ARG A 133 -0.995 5.841 -8.792 1.00 0.00 C ATOM 863 O ARG A 133 -0.985 7.054 -8.929 1.00 0.00 O ATOM 864 CB ARG A 133 -0.461 4.362 -6.770 1.00 0.00 C ATOM 865 CG ARG A 133 -0.290 5.039 -5.402 1.00 0.00 C ATOM 866 CD ARG A 133 -1.025 6.369 -5.287 1.00 0.00 C ATOM 867 NE ARG A 133 -0.757 6.916 -3.947 1.00 0.00 N ATOM 868 CZ ARG A 133 -0.628 8.212 -3.627 1.00 0.00 C ATOM 869 NH1 ARG A 133 -0.545 9.161 -4.530 1.00 0.00 N ATOM 870 NH2 ARG A 133 -0.450 8.569 -2.366 1.00 0.00 N ATOM 0 H ARG A 133 1.305 6.816 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 133 0.435 4.340 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.526 4.196 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.011 3.381 -6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.650 4.365 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.772 5.202 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.685 7.061 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.096 6.228 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.660 6.243 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.578 8.925 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.448 10.134 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -0.411 7.858 -1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.352 9.555 -2.124 1.00 0.00 H new ATOM 871 N GLY A 134 -2.028 5.067 -9.090 1.00 0.00 N ATOM 872 CA GLY A 134 -3.101 5.382 -10.053 1.00 0.00 C ATOM 873 C GLY A 134 -2.895 4.680 -11.386 1.00 0.00 C ATOM 874 O GLY A 134 -2.633 3.480 -11.401 1.00 0.00 O ATOM 0 H GLY A 134 -2.157 4.155 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -4.063 5.087 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.140 6.460 -10.213 1.00 0.00 H new ATOM 875 N PRO A 135 -2.910 5.433 -12.494 1.00 0.00 N ATOM 876 CA PRO A 135 -2.836 4.834 -13.824 1.00 0.00 C ATOM 877 C PRO A 135 -1.391 4.594 -14.329 1.00 0.00 C ATOM 878 O PRO A 135 -1.131 4.400 -15.511 1.00 0.00 O ATOM 879 CB PRO A 135 -3.597 5.790 -14.718 1.00 0.00 C ATOM 880 CG PRO A 135 -3.425 7.160 -14.063 1.00 0.00 C ATOM 881 CD PRO A 135 -3.093 6.902 -12.584 1.00 0.00 C ATOM 0 HA PRO A 135 -3.265 3.832 -13.817 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.199 5.784 -15.733 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.649 5.514 -14.787 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -2.627 7.723 -14.547 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -4.335 7.752 -14.158 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -2.191 7.433 -12.281 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.897 7.242 -11.932 1.00 0.00 H new ATOM 882 N ARG A 136 -0.465 4.619 -13.371 1.00 0.00 N ATOM 883 CA ARG A 136 0.988 4.476 -13.594 1.00 0.00 C ATOM 884 C ARG A 136 1.674 3.308 -12.892 1.00 0.00 C ATOM 885 O ARG A 136 2.846 3.018 -13.133 1.00 0.00 O ATOM 886 CB ARG A 136 1.662 5.805 -13.234 1.00 0.00 C ATOM 887 CG ARG A 136 1.385 6.284 -11.798 1.00 0.00 C ATOM 888 CD ARG A 136 1.476 7.804 -11.714 1.00 0.00 C ATOM 889 NE ARG A 136 1.065 8.223 -10.368 1.00 0.00 N ATOM 890 CZ ARG A 136 1.820 8.830 -9.450 1.00 0.00 C ATOM 891 NH1 ARG A 136 2.951 9.446 -9.766 1.00 0.00 N ATOM 892 NH2 ARG A 136 1.299 9.106 -8.261 1.00 0.00 N ATOM 0 H ARG A 136 -0.704 4.743 -12.387 1.00 0.00 H new ATOM 0 HA ARG A 136 1.106 4.229 -14.649 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.739 5.702 -13.369 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.325 6.571 -13.932 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.394 5.955 -11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.103 5.833 -11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.494 8.134 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.835 8.264 -12.466 1.00 0.00 H new ATOM 0 HE ARG A 136 0.098 8.029 -10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.267 9.466 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 136 3.504 9.900 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.332 8.854 -8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.866 9.570 -7.551 1.00 0.00 H new ATOM 893 N THR A 137 0.958 2.691 -11.959 1.00 0.00 N ATOM 894 CA THR A 137 1.466 1.519 -11.212 1.00 0.00 C ATOM 895 C THR A 137 0.962 0.212 -11.791 1.00 0.00 C ATOM 896 O THR A 137 -0.236 -0.059 -11.852 1.00 0.00 O ATOM 897 CB THR A 137 1.050 1.590 -9.752 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.148 2.342 -9.614 1.00 0.00 O ATOM 899 CG2 THR A 137 2.202 2.074 -8.881 1.00 0.00 C ATOM 0 H THR A 137 0.016 2.977 -11.692 1.00 0.00 H new ATOM 0 HA THR A 137 2.552 1.546 -11.297 1.00 0.00 H new ATOM 0 HB THR A 137 0.816 0.590 -9.387 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.545 2.167 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.879 2.116 -7.841 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.042 1.385 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.511 3.068 -9.206 1.00 0.00 H new ATOM 900 N HIS A 138 1.946 -0.551 -12.279 1.00 0.00 N ATOM 901 CA HIS A 138 1.792 -1.891 -12.867 1.00 0.00 C ATOM 902 C HIS A 138 3.129 -2.600 -13.009 1.00 0.00 C ATOM 903 O HIS A 138 4.180 -2.109 -12.584 1.00 0.00 O ATOM 904 CB HIS A 138 0.945 -1.857 -14.158 1.00 0.00 C ATOM 905 CG HIS A 138 1.224 -0.674 -15.094 1.00 0.00 C ATOM 906 ND1 HIS A 138 2.253 -0.501 -15.917 1.00 0.00 N ATOM 907 CD2 HIS A 138 0.452 0.403 -15.168 1.00 0.00 C ATOM 908 CE1 HIS A 138 2.131 0.701 -16.472 1.00 0.00 C ATOM 909 NE2 HIS A 138 1.020 1.254 -16.012 1.00 0.00 N ATOM 0 H HIS A 138 2.917 -0.239 -12.276 1.00 0.00 H new ATOM 0 HA HIS A 138 1.219 -2.504 -12.171 1.00 0.00 H new ATOM 0 HB2 HIS A 138 1.114 -2.782 -14.709 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.109 -1.839 -13.881 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -0.475 0.559 -14.635 1.00 0.00 H new ATOM 0 HE1 HIS A 138 2.818 1.148 -17.175 1.00 0.00 H new ATOM 0 HE2 HIS A 138 0.662 2.176 -16.263 1.00 0.00 H new ATOM 910 N TYR A 139 2.966 -3.868 -13.292 1.00 0.00 N ATOM 911 CA TYR A 139 4.035 -4.867 -13.404 1.00 0.00 C ATOM 912 C TYR A 139 5.121 -4.445 -14.381 1.00 0.00 C ATOM 913 O TYR A 139 4.893 -3.900 -15.462 1.00 0.00 O ATOM 914 CB TYR A 139 3.321 -6.149 -13.819 1.00 0.00 C ATOM 915 CG TYR A 139 4.125 -7.415 -13.496 1.00 0.00 C ATOM 916 CD1 TYR A 139 5.139 -7.842 -14.377 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.844 -8.099 -12.297 1.00 0.00 C ATOM 918 CE1 TYR A 139 5.924 -8.951 -14.029 1.00 0.00 C ATOM 919 CE2 TYR A 139 4.621 -9.218 -11.957 1.00 0.00 C ATOM 920 CZ TYR A 139 5.670 -9.617 -12.813 1.00 0.00 C ATOM 921 OH TYR A 139 6.586 -10.508 -12.326 1.00 0.00 O ATOM 0 H TYR A 139 2.042 -4.266 -13.462 1.00 0.00 H new ATOM 0 HA TYR A 139 4.575 -4.999 -12.466 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.356 -6.200 -13.315 1.00 0.00 H new ATOM 0 HB3 TYR A 139 3.120 -6.116 -14.890 1.00 0.00 H new ATOM 0 HD1 TYR A 139 5.309 -7.322 -15.308 1.00 0.00 H new ATOM 0 HD2 TYR A 139 3.045 -7.768 -11.650 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.713 -9.290 -14.684 1.00 0.00 H new ATOM 0 HE2 TYR A 139 4.418 -9.768 -11.050 1.00 0.00 H new ATOM 0 HH TYR A 139 6.241 -10.916 -11.504 1.00 0.00 H new ATOM 922 N GLY A 140 6.312 -4.801 -13.921 1.00 0.00 N ATOM 923 CA GLY A 140 7.598 -4.413 -14.515 1.00 0.00 C ATOM 924 C GLY A 140 8.275 -3.297 -13.698 1.00 0.00 C ATOM 925 O GLY A 140 9.490 -3.309 -13.510 1.00 0.00 O ATOM 0 H GLY A 140 6.421 -5.389 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 140 8.255 -5.281 -14.564 1.00 0.00 H new ATOM 0 HA3 GLY A 140 7.441 -4.074 -15.539 1.00 0.00 H new ATOM 926 N GLN A 141 7.465 -2.393 -13.148 1.00 0.00 N ATOM 927 CA GLN A 141 7.944 -1.293 -12.306 1.00 0.00 C ATOM 928 C GLN A 141 8.308 -1.808 -10.909 1.00 0.00 C ATOM 929 O GLN A 141 7.463 -2.265 -10.143 1.00 0.00 O ATOM 930 CB GLN A 141 6.861 -0.217 -12.148 1.00 0.00 C ATOM 931 CG GLN A 141 6.607 0.629 -13.402 1.00 0.00 C ATOM 932 CD GLN A 141 5.428 0.088 -14.223 1.00 0.00 C ATOM 933 OE1 GLN A 141 5.506 -0.920 -14.905 1.00 0.00 O ATOM 934 NE2 GLN A 141 4.300 0.764 -14.147 1.00 0.00 N ATOM 0 H GLN A 141 6.453 -2.402 -13.274 1.00 0.00 H new ATOM 0 HA GLN A 141 8.822 -0.867 -12.792 1.00 0.00 H new ATOM 0 HB2 GLN A 141 5.928 -0.700 -11.858 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.144 0.446 -11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 141 6.405 1.660 -13.111 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.505 0.642 -14.020 1.00 0.00 H new ATOM 0 HE21 GLN A 141 4.247 1.606 -13.573 1.00 0.00 H new ATOM 0 HE22 GLN A 141 3.479 0.446 -14.662 1.00 0.00 H new ATOM 935 N LYS A 142 9.574 -1.619 -10.560 1.00 0.00 N ATOM 936 CA LYS A 142 10.050 -1.829 -9.168 1.00 0.00 C ATOM 937 C LYS A 142 9.313 -1.019 -8.102 1.00 0.00 C ATOM 938 O LYS A 142 9.267 -1.375 -6.925 1.00 0.00 O ATOM 939 CB LYS A 142 11.563 -1.599 -9.070 1.00 0.00 C ATOM 940 CG LYS A 142 12.389 -2.759 -9.660 1.00 0.00 C ATOM 941 CD LYS A 142 12.468 -2.723 -11.184 1.00 0.00 C ATOM 942 CE LYS A 142 13.270 -3.929 -11.670 1.00 0.00 C ATOM 943 NZ LYS A 142 13.384 -3.853 -13.131 1.00 0.00 N ATOM 0 H LYS A 142 10.302 -1.321 -11.210 1.00 0.00 H new ATOM 0 HA LYS A 142 9.817 -2.870 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.819 -0.676 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.837 -1.461 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.398 -2.725 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.949 -3.706 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.466 -2.740 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 142 12.941 -1.798 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 142 14.259 -3.935 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 142 12.777 -4.856 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 13.928 -4.668 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.434 -3.864 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 13.871 -2.973 -13.396 1.00 0.00 H new ATOM 944 N ALA A 143 8.597 -0.010 -8.591 1.00 0.00 N ATOM 945 CA ALA A 143 7.584 0.778 -7.867 1.00 0.00 C ATOM 946 C ALA A 143 6.561 -0.122 -7.144 1.00 0.00 C ATOM 947 O ALA A 143 6.287 0.112 -5.974 1.00 0.00 O ATOM 948 CB ALA A 143 6.856 1.659 -8.888 1.00 0.00 C ATOM 0 H ALA A 143 8.709 0.303 -9.555 1.00 0.00 H new ATOM 0 HA ALA A 143 8.082 1.378 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.098 2.255 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.573 2.321 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.378 1.028 -9.638 1.00 0.00 H new ATOM 949 N ILE A 144 6.135 -1.197 -7.818 1.00 0.00 N ATOM 950 CA ILE A 144 5.151 -2.159 -7.274 1.00 0.00 C ATOM 951 C ILE A 144 5.760 -3.356 -6.510 1.00 0.00 C ATOM 952 O ILE A 144 5.061 -4.161 -5.896 1.00 0.00 O ATOM 953 CB ILE A 144 4.161 -2.664 -8.353 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.804 -3.390 -9.526 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.252 -1.528 -8.839 1.00 0.00 C ATOM 956 CD1 ILE A 144 4.406 -4.866 -9.588 1.00 0.00 C ATOM 0 H ILE A 144 6.459 -1.430 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 144 4.605 -1.574 -6.534 1.00 0.00 H new ATOM 0 HB ILE A 144 3.559 -3.421 -7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.515 -2.899 -10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.888 -3.312 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.567 -1.909 -9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.681 -1.134 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 144 3.861 -0.733 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 144 4.891 -5.338 -10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 144 4.718 -5.366 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 144 3.324 -4.947 -9.695 1.00 0.00 H new ATOM 957 N LEU A 145 7.091 -3.407 -6.525 1.00 0.00 N ATOM 958 CA LEU A 145 7.882 -4.465 -5.858 1.00 0.00 C ATOM 959 C LEU A 145 7.964 -4.224 -4.350 1.00 0.00 C ATOM 960 O LEU A 145 8.826 -3.493 -3.845 1.00 0.00 O ATOM 961 CB LEU A 145 9.273 -4.540 -6.499 1.00 0.00 C ATOM 962 CG LEU A 145 9.332 -5.640 -7.572 1.00 0.00 C ATOM 963 CD1 LEU A 145 8.593 -5.256 -8.859 1.00 0.00 C ATOM 964 CD2 LEU A 145 10.794 -5.929 -7.896 1.00 0.00 C ATOM 0 H LEU A 145 7.666 -2.713 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 145 7.385 -5.425 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.522 -3.578 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 145 10.020 -4.737 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 145 8.834 -6.522 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.669 -6.071 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.543 -5.068 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 145 9.041 -4.356 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 145 10.851 -6.708 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 145 11.270 -5.022 -8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 145 11.307 -6.264 -6.994 1.00 0.00 H new ATOM 965 N PHE A 146 6.993 -4.809 -3.657 1.00 0.00 N ATOM 966 CA PHE A 146 6.885 -4.739 -2.197 1.00 0.00 C ATOM 967 C PHE A 146 7.070 -6.086 -1.528 1.00 0.00 C ATOM 968 O PHE A 146 6.488 -7.101 -1.900 1.00 0.00 O ATOM 969 CB PHE A 146 5.505 -4.258 -1.760 1.00 0.00 C ATOM 970 CG PHE A 146 5.263 -2.767 -1.964 1.00 0.00 C ATOM 971 CD1 PHE A 146 4.909 -2.265 -3.224 1.00 0.00 C ATOM 972 CD2 PHE A 146 5.387 -1.929 -0.831 1.00 0.00 C ATOM 973 CE1 PHE A 146 4.682 -0.878 -3.367 1.00 0.00 C ATOM 974 CE2 PHE A 146 5.152 -0.547 -0.972 1.00 0.00 C ATOM 975 CZ PHE A 146 4.801 -0.033 -2.239 1.00 0.00 C ATOM 0 H PHE A 146 6.249 -5.352 -4.094 1.00 0.00 H new ATOM 0 HA PHE A 146 7.673 -4.048 -1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.748 -4.815 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 146 5.369 -4.495 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 146 4.811 -2.928 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.658 -2.343 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.420 -0.466 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 146 5.239 0.112 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.620 1.026 -2.349 1.00 0.00 H new ATOM 976 N LEU A 147 7.733 -5.988 -0.407 1.00 0.00 N ATOM 977 CA LEU A 147 8.012 -7.137 0.454 1.00 0.00 C ATOM 978 C LEU A 147 7.486 -6.874 1.882 1.00 0.00 C ATOM 979 O LEU A 147 7.971 -5.972 2.569 1.00 0.00 O ATOM 980 CB LEU A 147 9.517 -7.423 0.423 1.00 0.00 C ATOM 981 CG LEU A 147 9.875 -8.782 1.033 1.00 0.00 C ATOM 982 CD1 LEU A 147 9.271 -9.950 0.246 1.00 0.00 C ATOM 983 CD2 LEU A 147 11.391 -8.926 1.074 1.00 0.00 C ATOM 0 H LEU A 147 8.104 -5.107 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 147 7.492 -8.023 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.868 -7.389 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.043 -6.637 0.965 1.00 0.00 H new ATOM 0 HG LEU A 147 9.457 -8.817 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.553 -10.891 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.185 -9.860 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.645 -9.931 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.653 -9.891 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.790 -8.862 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.816 -8.128 1.683 1.00 0.00 H new ATOM 984 N PRO A 148 6.346 -7.490 2.208 1.00 0.00 N ATOM 985 CA PRO A 148 5.822 -7.543 3.582 1.00 0.00 C ATOM 986 C PRO A 148 6.887 -8.084 4.532 1.00 0.00 C ATOM 987 O PRO A 148 7.473 -9.142 4.312 1.00 0.00 O ATOM 988 CB PRO A 148 4.648 -8.509 3.487 1.00 0.00 C ATOM 989 CG PRO A 148 4.074 -8.212 2.101 1.00 0.00 C ATOM 990 CD PRO A 148 5.339 -8.005 1.259 1.00 0.00 C ATOM 0 HA PRO A 148 5.531 -6.565 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.970 -9.546 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.915 -8.333 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.467 -9.037 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 148 3.439 -7.326 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 148 5.667 -8.939 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 148 5.163 -7.299 0.448 1.00 0.00 H new ATOM 991 N LEU A 149 7.268 -7.194 5.442 1.00 0.00 N ATOM 992 CA LEU A 149 8.153 -7.517 6.577 1.00 0.00 C ATOM 993 C LEU A 149 7.376 -7.308 7.883 1.00 0.00 C ATOM 994 O LEU A 149 7.501 -6.272 8.533 1.00 0.00 O ATOM 995 CB LEU A 149 9.414 -6.631 6.499 1.00 0.00 C ATOM 996 CG LEU A 149 10.322 -6.922 5.306 1.00 0.00 C ATOM 997 CD1 LEU A 149 11.478 -5.913 5.317 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.915 -8.342 5.338 1.00 0.00 C ATOM 0 H LEU A 149 6.974 -6.218 5.421 1.00 0.00 H new ATOM 0 HA LEU A 149 8.477 -8.557 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 149 9.106 -5.586 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.989 -6.758 7.416 1.00 0.00 H new ATOM 0 HG LEU A 149 9.716 -6.839 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 149 12.137 -6.106 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 149 11.079 -4.901 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 149 12.040 -6.014 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.551 -8.490 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.507 -8.469 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 149 10.107 -9.074 5.327 1.00 0.00 H new ATOM 999 N PRO A 150 6.482 -8.244 8.241 1.00 0.00 N ATOM 1000 CA PRO A 150 5.676 -8.037 9.450 1.00 0.00 C ATOM 1001 C PRO A 150 6.354 -8.635 10.674 1.00 0.00 C ATOM 1002 O PRO A 150 6.885 -9.742 10.693 1.00 0.00 O ATOM 1003 CB PRO A 150 4.311 -8.591 9.106 1.00 0.00 C ATOM 1004 CG PRO A 150 4.614 -9.747 8.147 1.00 0.00 C ATOM 1005 CD PRO A 150 5.932 -9.365 7.446 1.00 0.00 C ATOM 0 HA PRO A 150 5.569 -6.991 9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 150 3.785 -8.937 9.995 1.00 0.00 H new ATOM 0 HB3 PRO A 150 3.680 -7.836 8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 150 4.715 -10.689 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.809 -9.879 7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 150 6.624 -10.207 7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 150 5.756 -9.066 6.413 1.00 0.00 H new