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= -2.5! C(o=-2.5!,f=-7.6!) USER MOD Set 1.2: A 139 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 138 HIS :FLIP no HD1:sc= -1.15! C(o=-4.6!,f=-2.5!) USER MOD Set 2.2: A 141 GLN : amide:sc= -1.34! C(o=-2.5!,f=-6!) USER MOD Set 3.1: A 81 MET CE :methyl -136:sc= -2.8 (180deg=-6.29!) USER MOD Set 3.2: A 115 LYS NZ :NH3+ 148:sc= -0.581 (180deg=-0.594) USER MOD Set 3.3: A 116 HIS : no HE2:sc= -0.396 K(o=-3.8,f=-6.5!) USER MOD Set 4.1: A 109 ASN : amide:sc= -0.08 K(o=-0.08,f=-2.3!) USER MOD Set 4.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 31 SER OG : rot -23:sc= 0.91 USER MOD Set 5.2: A 108 TYR OH : rot -9:sc= 0.368 USER MOD Set 6.1: A 90 SER OG : rot 180:sc= 0.00325 USER MOD Set 6.2: A 92 THR OG1 : rot 76:sc= 1.19 USER MOD Set 6.3: A 94 ASN : amide:sc= 0.288 X(o=1.5,f=1.6) USER MOD Set 7.1: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 57 GLN : amide:sc= 1.44 K(o=2.7,f=0.58) USER MOD Set 8.2: A 73 THR OG1 : rot 127:sc= 1.26 USER MOD Set 9.1: A 72 SER OG : rot 81:sc= 0.762 USER MOD Set 9.2: A 75 THR OG1 : rot 142:sc= 1.26 USER MOD Set 9.3: A 77 GLN : amide:sc= 0.105 K(o=2.1,f=0.37) USER MOD Set10.1: A 59 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Set10.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set11.1: A 32 ASN : amide:sc= -1.38! C(o=-3.6!,f=-8.9!) USER MOD Set11.2: A 35 HIS : no HE2:sc= -2.24 K(o=-3.6,f=-8.6!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -101:sc= 0.0952 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0591 USER MOD Single : A 48 THR OG1 : rot -112:sc= 0.671 USER MOD Single : A 52 SER OG : rot -160:sc= 0.0487 USER MOD Single : A 54 GLN : amide:sc= 0.399 K(o=0.4,f=-4.3!) USER MOD Single : A 55 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-6.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 139:sc= 0.745 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 88 TYR OH : rot 18:sc= 0.628 USER MOD Single : A 91 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 97 CYS SG : rot 167:sc= 0.616 USER MOD Single : A 107 HIS : no HE2:sc= 0.0791 K(o=0.079,f=-2) USER MOD Single : A 110 THR OG1 : rot -31:sc= 0.921 USER MOD Single : A 113 SER OG : rot 100:sc= 0.0218 USER MOD Single : A 114 LYS NZ :NH3+ 173:sc= 0.145 (180deg=0.0531) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00739) USER MOD Single : A 128 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.1) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 CYS SG : rot -160:sc= -1.03 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= -0.0244 (180deg=-0.0244) USER MOD Single : A 137 THR OG1 : rot 133:sc= -0.0664 USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= 0.514 (180deg=0.404) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 2.068 -5.908 11.167 1.00 0.00 N ATOM 12 CA ALA A 26 2.665 -6.080 9.836 1.00 0.00 C ATOM 13 C ALA A 26 3.380 -4.798 9.392 1.00 0.00 C ATOM 14 O ALA A 26 3.010 -3.695 9.791 1.00 0.00 O ATOM 15 CB ALA A 26 1.601 -6.511 8.809 1.00 0.00 C ATOM 0 HA ALA A 26 3.409 -6.874 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.067 -6.632 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.158 -7.457 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.824 -5.749 8.749 1.00 0.00 H new ATOM 16 N LEU A 27 4.531 -5.015 8.770 1.00 0.00 N ATOM 17 CA LEU A 27 5.395 -3.940 8.258 1.00 0.00 C ATOM 18 C LEU A 27 5.732 -4.192 6.777 1.00 0.00 C ATOM 19 O LEU A 27 5.966 -5.327 6.373 1.00 0.00 O ATOM 20 CB LEU A 27 6.616 -3.986 9.183 1.00 0.00 C ATOM 21 CG LEU A 27 7.746 -3.014 8.877 1.00 0.00 C ATOM 22 CD1 LEU A 27 7.565 -1.711 9.637 1.00 0.00 C ATOM 23 CD2 LEU A 27 9.060 -3.633 9.339 1.00 0.00 C ATOM 0 H LEU A 27 4.902 -5.950 8.601 1.00 0.00 H new ATOM 0 HA LEU A 27 4.937 -2.951 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.277 -3.802 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.022 -4.997 9.159 1.00 0.00 H new ATOM 0 HG LEU A 27 7.746 -2.814 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.386 -1.035 9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.620 -1.250 9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.558 -1.912 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.880 -2.947 9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.015 -3.823 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.226 -4.572 8.810 1.00 0.00 H new ATOM 24 N LEU A 28 5.645 -3.139 5.967 1.00 0.00 N ATOM 25 CA LEU A 28 5.793 -3.270 4.514 1.00 0.00 C ATOM 26 C LEU A 28 6.949 -2.431 3.964 1.00 0.00 C ATOM 27 O LEU A 28 6.909 -1.199 3.988 1.00 0.00 O ATOM 28 CB LEU A 28 4.472 -2.821 3.892 1.00 0.00 C ATOM 29 CG LEU A 28 4.202 -3.446 2.517 1.00 0.00 C ATOM 30 CD1 LEU A 28 4.035 -4.969 2.597 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.912 -2.838 1.950 1.00 0.00 C ATOM 0 H LEU A 28 5.473 -2.186 6.288 1.00 0.00 H new ATOM 0 HA LEU A 28 6.027 -4.305 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.655 -3.078 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.475 -1.735 3.795 1.00 0.00 H new ATOM 0 HG LEU A 28 5.058 -3.237 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.846 -5.367 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.945 -5.414 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.195 -5.209 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.705 -3.272 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.082 -3.051 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.031 -1.759 1.851 1.00 0.00 H new ATOM 32 N TYR A 29 7.920 -3.147 3.404 1.00 0.00 N ATOM 33 CA TYR A 29 9.081 -2.565 2.719 1.00 0.00 C ATOM 34 C TYR A 29 8.810 -2.533 1.209 1.00 0.00 C ATOM 35 O TYR A 29 8.126 -3.387 0.668 1.00 0.00 O ATOM 36 CB TYR A 29 10.295 -3.436 3.084 1.00 0.00 C ATOM 37 CG TYR A 29 11.534 -3.247 2.216 1.00 0.00 C ATOM 38 CD1 TYR A 29 12.191 -1.999 2.139 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.888 -4.330 1.386 1.00 0.00 C ATOM 40 CE1 TYR A 29 13.185 -1.810 1.160 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.892 -4.150 0.425 1.00 0.00 C ATOM 42 CZ TYR A 29 13.510 -2.892 0.302 1.00 0.00 C ATOM 43 OH TYR A 29 14.425 -2.711 -0.687 1.00 0.00 O ATOM 0 H TYR A 29 7.926 -4.167 3.411 1.00 0.00 H new ATOM 0 HA TYR A 29 9.275 -1.537 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.566 -3.232 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.995 -4.483 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.935 -1.202 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.393 -5.284 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.690 -0.860 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.188 -4.968 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 29 14.537 -3.547 -1.186 1.00 0.00 H new ATOM 44 N CYS A 30 9.324 -1.502 0.571 1.00 0.00 N ATOM 45 CA CYS A 30 9.057 -1.236 -0.849 1.00 0.00 C ATOM 46 C CYS A 30 10.356 -1.208 -1.665 1.00 0.00 C ATOM 47 O CYS A 30 11.004 -0.164 -1.825 1.00 0.00 O ATOM 48 CB CYS A 30 8.289 0.084 -0.950 1.00 0.00 C ATOM 49 SG CYS A 30 6.826 0.169 0.146 1.00 0.00 S ATOM 0 H CYS A 30 9.940 -0.818 1.012 1.00 0.00 H new ATOM 0 HA CYS A 30 8.453 -2.039 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.963 0.906 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.968 0.230 -1.982 1.00 0.00 H new ATOM 0 HG CYS A 30 5.750 -0.057 -0.548 1.00 0.00 H new ATOM 50 N SER A 31 10.671 -2.388 -2.180 1.00 0.00 N ATOM 51 CA SER A 31 11.804 -2.643 -3.109 1.00 0.00 C ATOM 52 C SER A 31 11.678 -1.840 -4.411 1.00 0.00 C ATOM 53 O SER A 31 12.564 -1.844 -5.266 1.00 0.00 O ATOM 54 CB SER A 31 11.856 -4.127 -3.476 1.00 0.00 C ATOM 55 OG SER A 31 11.797 -4.930 -2.287 1.00 0.00 O ATOM 0 H SER A 31 10.139 -3.232 -1.967 1.00 0.00 H new ATOM 0 HA SER A 31 12.711 -2.334 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.024 -4.376 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.773 -4.342 -4.025 1.00 0.00 H new ATOM 0 HG SER A 31 12.106 -4.403 -1.521 1.00 0.00 H new ATOM 56 N ASN A 32 10.472 -1.326 -4.622 1.00 0.00 N ATOM 57 CA ASN A 32 10.126 -0.256 -5.566 1.00 0.00 C ATOM 58 C ASN A 32 11.188 0.877 -5.625 1.00 0.00 C ATOM 59 O ASN A 32 11.385 1.472 -6.687 1.00 0.00 O ATOM 60 CB ASN A 32 8.723 0.201 -5.131 1.00 0.00 C ATOM 61 CG ASN A 32 8.569 1.689 -4.794 1.00 0.00 C ATOM 62 OD1 ASN A 32 8.743 2.130 -3.668 1.00 0.00 O ATOM 63 ND2 ASN A 32 8.312 2.478 -5.809 1.00 0.00 N ATOM 0 H ASN A 32 9.656 -1.662 -4.110 1.00 0.00 H new ATOM 0 HA ASN A 32 10.118 -0.602 -6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.021 -0.044 -5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.429 -0.380 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.253 3.487 -5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.171 2.083 -6.739 1.00 0.00 H new ATOM 64 N GLY A 33 11.693 1.236 -4.456 1.00 0.00 N ATOM 65 CA GLY A 33 12.804 2.201 -4.275 1.00 0.00 C ATOM 66 C GLY A 33 13.713 1.675 -3.158 1.00 0.00 C ATOM 67 O GLY A 33 14.528 0.790 -3.361 1.00 0.00 O ATOM 0 H GLY A 33 11.343 0.863 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.366 2.313 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.415 3.186 -4.017 1.00 0.00 H new ATOM 68 N GLY A 34 13.471 2.228 -1.980 1.00 0.00 N ATOM 69 CA GLY A 34 14.047 1.746 -0.711 1.00 0.00 C ATOM 70 C GLY A 34 13.229 2.236 0.475 1.00 0.00 C ATOM 71 O GLY A 34 13.783 2.696 1.469 1.00 0.00 O ATOM 0 H GLY A 34 12.861 3.037 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.078 0.656 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.076 2.094 -0.618 1.00 0.00 H new ATOM 72 N HIS A 35 11.916 2.062 0.363 1.00 0.00 N ATOM 73 CA HIS A 35 10.989 2.684 1.318 1.00 0.00 C ATOM 74 C HIS A 35 10.161 1.700 2.155 1.00 0.00 C ATOM 75 O HIS A 35 10.288 0.491 2.029 1.00 0.00 O ATOM 76 CB HIS A 35 9.958 3.588 0.618 1.00 0.00 C ATOM 77 CG HIS A 35 10.495 4.509 -0.476 1.00 0.00 C ATOM 78 ND1 HIS A 35 10.199 4.432 -1.767 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.251 5.574 -0.283 1.00 0.00 C ATOM 80 CE1 HIS A 35 10.765 5.464 -2.375 1.00 0.00 C ATOM 81 NE2 HIS A 35 11.423 6.159 -1.459 1.00 0.00 N ATOM 0 H HIS A 35 11.469 1.505 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 35 11.663 3.240 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.187 2.953 0.182 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.473 4.204 1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.636 3.707 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.655 5.907 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.701 5.697 -3.428 1.00 0.00 H new ATOM 82 N PHE A 36 9.471 2.271 3.133 1.00 0.00 N ATOM 83 CA PHE A 36 8.338 1.649 3.833 1.00 0.00 C ATOM 84 C PHE A 36 7.078 2.464 3.560 1.00 0.00 C ATOM 85 O PHE A 36 7.130 3.684 3.387 1.00 0.00 O ATOM 86 CB PHE A 36 8.617 1.657 5.333 1.00 0.00 C ATOM 87 CG PHE A 36 9.643 0.598 5.726 1.00 0.00 C ATOM 88 CD1 PHE A 36 11.017 0.907 5.576 1.00 0.00 C ATOM 89 CD2 PHE A 36 9.243 -0.659 6.220 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.997 -0.052 5.916 1.00 0.00 C ATOM 91 CE2 PHE A 36 10.209 -1.617 6.557 1.00 0.00 C ATOM 92 CZ PHE A 36 11.584 -1.312 6.399 1.00 0.00 C ATOM 0 H PHE A 36 9.685 3.207 3.477 1.00 0.00 H new ATOM 0 HA PHE A 36 8.202 0.625 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.979 2.641 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.688 1.482 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.315 1.875 5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.193 -0.884 6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.047 0.176 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.907 -2.583 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.326 -2.055 6.652 1.00 0.00 H new ATOM 93 N LEU A 37 5.969 1.745 3.509 1.00 0.00 N ATOM 94 CA LEU A 37 4.633 2.317 3.231 1.00 0.00 C ATOM 95 C LEU A 37 4.048 3.040 4.466 1.00 0.00 C ATOM 96 O LEU A 37 3.196 2.526 5.187 1.00 0.00 O ATOM 97 CB LEU A 37 3.740 1.153 2.792 1.00 0.00 C ATOM 98 CG LEU A 37 2.557 1.743 2.022 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.928 2.040 0.565 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.386 0.756 2.039 1.00 0.00 C ATOM 0 H LEU A 37 5.955 0.736 3.659 1.00 0.00 H new ATOM 0 HA LEU A 37 4.698 3.075 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.298 0.458 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.391 0.590 3.658 1.00 0.00 H new ATOM 0 HG LEU A 37 2.277 2.677 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.064 2.458 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.749 2.756 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.235 1.117 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.545 1.180 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.692 -0.179 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.087 0.564 3.069 1.00 0.00 H new ATOM 101 N ARG A 38 4.378 4.317 4.596 1.00 0.00 N ATOM 102 CA ARG A 38 4.054 5.060 5.829 1.00 0.00 C ATOM 103 C ARG A 38 2.864 6.007 5.737 1.00 0.00 C ATOM 104 O ARG A 38 2.850 6.971 4.966 1.00 0.00 O ATOM 105 CB ARG A 38 5.266 5.835 6.329 1.00 0.00 C ATOM 106 CG ARG A 38 5.453 5.377 7.762 1.00 0.00 C ATOM 107 CD ARG A 38 6.420 6.216 8.579 1.00 0.00 C ATOM 108 NE ARG A 38 5.804 7.540 8.756 1.00 0.00 N ATOM 109 CZ ARG A 38 6.222 8.502 9.575 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.124 8.269 10.527 1.00 0.00 N ATOM 111 NH2 ARG A 38 5.584 9.667 9.605 1.00 0.00 N ATOM 0 H ARG A 38 4.862 4.862 3.883 1.00 0.00 H new ATOM 0 HA ARG A 38 3.763 4.281 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.149 5.621 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.097 6.911 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.483 5.380 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.805 4.345 7.756 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.613 5.749 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.380 6.303 8.069 1.00 0.00 H new ATOM 0 HE ARG A 38 4.975 7.740 8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.513 7.333 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.426 9.026 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.776 9.822 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.902 10.406 10.232 1.00 0.00 H new ATOM 112 N ILE A 39 1.935 5.750 6.650 1.00 0.00 N ATOM 113 CA ILE A 39 0.723 6.575 6.819 1.00 0.00 C ATOM 114 C ILE A 39 1.050 7.878 7.572 1.00 0.00 C ATOM 115 O ILE A 39 2.021 7.963 8.335 1.00 0.00 O ATOM 116 CB ILE A 39 -0.392 5.743 7.501 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.756 6.387 7.318 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.136 5.457 8.987 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.663 5.514 6.449 1.00 0.00 C ATOM 0 H ILE A 39 1.992 4.965 7.299 1.00 0.00 H new ATOM 0 HA ILE A 39 0.346 6.875 5.841 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.378 4.779 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.221 6.545 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.640 7.368 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.961 4.871 9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.794 4.899 9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.059 6.399 9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.633 5.998 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.207 5.378 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.797 4.542 6.924 1.00 0.00 H new ATOM 120 N LEU A 40 0.350 8.923 7.161 1.00 0.00 N ATOM 121 CA LEU A 40 0.334 10.187 7.912 1.00 0.00 C ATOM 122 C LEU A 40 -1.085 10.413 8.462 1.00 0.00 C ATOM 123 O LEU A 40 -2.052 10.399 7.694 1.00 0.00 O ATOM 124 CB LEU A 40 0.766 11.381 7.042 1.00 0.00 C ATOM 125 CG LEU A 40 2.214 11.238 6.543 1.00 0.00 C ATOM 126 CD1 LEU A 40 2.491 12.305 5.486 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.234 11.326 7.672 1.00 0.00 C ATOM 0 H LEU A 40 -0.217 8.930 6.313 1.00 0.00 H new ATOM 0 HA LEU A 40 1.052 10.115 8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.095 11.468 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.670 12.302 7.617 1.00 0.00 H new ATOM 0 HG LEU A 40 2.320 10.245 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.517 12.207 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.803 12.177 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.352 13.294 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.239 11.219 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.145 12.292 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.048 10.530 8.393 1.00 0.00 H new ATOM 128 N PRO A 41 -1.209 10.641 9.783 1.00 0.00 N ATOM 129 CA PRO A 41 -2.476 11.050 10.418 1.00 0.00 C ATOM 130 C PRO A 41 -3.174 12.173 9.617 1.00 0.00 C ATOM 131 O PRO A 41 -4.368 12.090 9.347 1.00 0.00 O ATOM 132 CB PRO A 41 -2.070 11.554 11.802 1.00 0.00 C ATOM 133 CG PRO A 41 -0.859 10.681 12.145 1.00 0.00 C ATOM 134 CD PRO A 41 -0.167 10.430 10.804 1.00 0.00 C ATOM 0 HA PRO A 41 -3.188 10.226 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.813 12.613 11.786 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.874 11.432 12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.193 11.185 12.846 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.165 9.746 12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.670 11.113 10.659 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.235 9.418 10.752 1.00 0.00 H new ATOM 135 N ASP A 42 -2.361 13.093 9.079 1.00 0.00 N ATOM 136 CA ASP A 42 -2.811 14.169 8.173 1.00 0.00 C ATOM 137 C ASP A 42 -2.972 13.672 6.722 1.00 0.00 C ATOM 138 O ASP A 42 -2.154 13.925 5.839 1.00 0.00 O ATOM 139 CB ASP A 42 -1.815 15.329 8.307 1.00 0.00 C ATOM 140 CG ASP A 42 -2.251 16.572 7.529 1.00 0.00 C ATOM 141 OD1 ASP A 42 -3.207 17.219 7.992 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.619 16.832 6.484 1.00 0.00 O ATOM 0 H ASP A 42 -1.358 13.114 9.261 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.806 14.515 8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.701 15.586 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.837 15.006 7.950 1.00 0.00 H new ATOM 143 N GLY A 43 -4.002 12.849 6.556 1.00 0.00 N ATOM 144 CA GLY A 43 -4.492 12.371 5.259 1.00 0.00 C ATOM 145 C GLY A 43 -3.613 11.321 4.557 1.00 0.00 C ATOM 146 O GLY A 43 -3.836 10.126 4.723 1.00 0.00 O ATOM 0 H GLY A 43 -4.539 12.482 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.487 11.948 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.602 13.228 4.595 1.00 0.00 H new ATOM 147 N THR A 44 -2.606 11.794 3.838 1.00 0.00 N ATOM 148 CA THR A 44 -1.849 10.996 2.848 1.00 0.00 C ATOM 149 C THR A 44 -0.852 9.953 3.400 1.00 0.00 C ATOM 150 O THR A 44 -0.595 9.853 4.598 1.00 0.00 O ATOM 151 CB THR A 44 -1.219 11.935 1.805 1.00 0.00 C ATOM 152 OG1 THR A 44 -0.846 11.190 0.640 1.00 0.00 O ATOM 153 CG2 THR A 44 -0.029 12.742 2.354 1.00 0.00 C ATOM 0 H THR A 44 -2.276 12.756 3.917 1.00 0.00 H new ATOM 0 HA THR A 44 -2.588 10.350 2.374 1.00 0.00 H new ATOM 0 HB THR A 44 -1.977 12.671 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.447 11.794 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.369 13.384 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.361 13.356 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.749 12.058 2.693 1.00 0.00 H new ATOM 154 N VAL A 45 -0.395 9.119 2.472 1.00 0.00 N ATOM 155 CA VAL A 45 0.584 8.038 2.718 1.00 0.00 C ATOM 156 C VAL A 45 1.778 8.322 1.789 1.00 0.00 C ATOM 157 O VAL A 45 1.665 8.784 0.656 1.00 0.00 O ATOM 158 CB VAL A 45 -0.013 6.650 2.442 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.847 5.500 2.985 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.409 6.472 3.059 1.00 0.00 C ATOM 0 H VAL A 45 -0.696 9.168 1.499 1.00 0.00 H new ATOM 0 HA VAL A 45 0.887 8.025 3.765 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.060 6.605 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.368 4.548 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.832 5.532 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.952 5.603 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.782 5.473 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.348 6.600 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.088 7.216 2.643 1.00 0.00 H new ATOM 161 N ASP A 46 2.946 8.023 2.337 1.00 0.00 N ATOM 162 CA ASP A 46 4.256 8.333 1.759 1.00 0.00 C ATOM 163 C ASP A 46 5.250 7.175 1.958 1.00 0.00 C ATOM 164 O ASP A 46 5.065 6.330 2.826 1.00 0.00 O ATOM 165 CB ASP A 46 4.796 9.571 2.479 1.00 0.00 C ATOM 166 CG ASP A 46 4.315 10.897 1.868 1.00 0.00 C ATOM 167 OD1 ASP A 46 4.876 11.270 0.817 1.00 0.00 O ATOM 168 OD2 ASP A 46 3.415 11.512 2.473 1.00 0.00 O ATOM 0 H ASP A 46 3.016 7.539 3.232 1.00 0.00 H new ATOM 0 HA ASP A 46 4.143 8.500 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.495 9.533 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.886 9.546 2.460 1.00 0.00 H new ATOM 169 N GLY A 47 6.323 7.239 1.189 1.00 0.00 N ATOM 170 CA GLY A 47 7.440 6.279 1.298 1.00 0.00 C ATOM 171 C GLY A 47 8.507 6.824 2.262 1.00 0.00 C ATOM 172 O GLY A 47 8.836 8.004 2.250 1.00 0.00 O ATOM 0 H GLY A 47 6.457 7.950 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.071 5.318 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.879 6.106 0.316 1.00 0.00 H new ATOM 173 N THR A 48 8.955 5.935 3.133 1.00 0.00 N ATOM 174 CA THR A 48 10.026 6.262 4.103 1.00 0.00 C ATOM 175 C THR A 48 11.208 5.302 4.038 1.00 0.00 C ATOM 176 O THR A 48 11.101 4.112 4.336 1.00 0.00 O ATOM 177 CB THR A 48 9.510 6.427 5.544 1.00 0.00 C ATOM 178 OG1 THR A 48 10.617 6.775 6.381 1.00 0.00 O ATOM 179 CG2 THR A 48 8.815 5.191 6.116 1.00 0.00 C ATOM 0 H THR A 48 8.605 4.979 3.201 1.00 0.00 H new ATOM 0 HA THR A 48 10.397 7.238 3.790 1.00 0.00 H new ATOM 0 HB THR A 48 8.750 7.208 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.812 6.033 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.485 5.398 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.953 4.940 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.512 4.353 6.124 1.00 0.00 H new ATOM 180 N ARG A 49 12.361 5.914 3.822 1.00 0.00 N ATOM 181 CA ARG A 49 13.668 5.238 3.770 1.00 0.00 C ATOM 182 C ARG A 49 14.178 4.821 5.164 1.00 0.00 C ATOM 183 O ARG A 49 15.247 4.223 5.318 1.00 0.00 O ATOM 184 CB ARG A 49 14.664 6.187 3.096 1.00 0.00 C ATOM 185 CG ARG A 49 14.289 6.383 1.628 1.00 0.00 C ATOM 186 CD ARG A 49 14.507 7.842 1.210 1.00 0.00 C ATOM 187 NE ARG A 49 14.146 7.971 -0.207 1.00 0.00 N ATOM 188 CZ ARG A 49 13.117 8.654 -0.714 1.00 0.00 C ATOM 189 NH1 ARG A 49 12.303 9.399 0.030 1.00 0.00 N ATOM 190 NH2 ARG A 49 12.810 8.523 -1.989 1.00 0.00 N ATOM 0 H ARG A 49 12.427 6.921 3.673 1.00 0.00 H new ATOM 0 HA ARG A 49 13.562 4.315 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.668 7.148 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.673 5.781 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.891 5.725 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.246 6.105 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.896 8.508 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.546 8.131 1.365 1.00 0.00 H new ATOM 0 HE ARG A 49 14.745 7.487 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.452 9.467 1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.530 9.902 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.358 7.902 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.025 9.043 -2.380 1.00 0.00 H new ATOM 191 N ASP A 50 13.380 5.151 6.177 1.00 0.00 N ATOM 192 CA ASP A 50 13.638 4.756 7.562 1.00 0.00 C ATOM 193 C ASP A 50 12.439 3.998 8.154 1.00 0.00 C ATOM 194 O ASP A 50 11.281 4.393 8.005 1.00 0.00 O ATOM 195 CB ASP A 50 14.031 5.948 8.434 1.00 0.00 C ATOM 196 CG ASP A 50 13.030 7.111 8.416 1.00 0.00 C ATOM 197 OD1 ASP A 50 12.059 7.044 9.216 1.00 0.00 O ATOM 198 OD2 ASP A 50 13.241 8.023 7.596 1.00 0.00 O ATOM 0 H ASP A 50 12.531 5.703 6.060 1.00 0.00 H new ATOM 0 HA ASP A 50 14.491 4.077 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.151 5.605 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.003 6.317 8.105 1.00 0.00 H new ATOM 199 N ARG A 51 12.797 2.899 8.792 1.00 0.00 N ATOM 200 CA ARG A 51 11.871 2.057 9.568 1.00 0.00 C ATOM 201 C ARG A 51 11.392 2.825 10.818 1.00 0.00 C ATOM 202 O ARG A 51 12.157 3.060 11.753 1.00 0.00 O ATOM 203 CB ARG A 51 12.662 0.804 9.971 1.00 0.00 C ATOM 204 CG ARG A 51 11.839 -0.445 10.309 1.00 0.00 C ATOM 205 CD ARG A 51 10.723 -0.248 11.342 1.00 0.00 C ATOM 206 NE ARG A 51 11.216 0.351 12.607 1.00 0.00 N ATOM 207 CZ ARG A 51 11.023 -0.127 13.836 1.00 0.00 C ATOM 208 NH1 ARG A 51 10.351 -1.252 14.049 1.00 0.00 N ATOM 209 NH2 ARG A 51 11.478 0.548 14.879 1.00 0.00 N ATOM 0 H ARG A 51 13.755 2.550 8.793 1.00 0.00 H new ATOM 0 HA ARG A 51 10.987 1.788 8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.343 0.554 9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.277 1.052 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.394 -0.824 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.517 -1.215 10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.950 0.393 10.918 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.258 -1.210 11.557 1.00 0.00 H new ATOM 0 HE ARG A 51 11.755 1.213 12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.967 -1.774 13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.218 -1.595 15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.973 1.429 14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.334 0.188 15.822 1.00 0.00 H new ATOM 210 N SER A 52 10.136 3.238 10.782 1.00 0.00 N ATOM 211 CA SER A 52 9.444 3.843 11.937 1.00 0.00 C ATOM 212 C SER A 52 8.011 3.310 12.051 1.00 0.00 C ATOM 213 O SER A 52 7.021 3.896 11.628 1.00 0.00 O ATOM 214 CB SER A 52 9.478 5.368 11.856 1.00 0.00 C ATOM 215 OG SER A 52 9.181 5.784 10.522 1.00 0.00 O ATOM 0 H SER A 52 9.552 3.168 9.949 1.00 0.00 H new ATOM 0 HA SER A 52 9.973 3.556 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.755 5.795 12.550 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.460 5.736 12.152 1.00 0.00 H new ATOM 0 HG SER A 52 9.504 6.699 10.385 1.00 0.00 H new ATOM 216 N ASP A 53 8.004 2.100 12.585 1.00 0.00 N ATOM 217 CA ASP A 53 6.799 1.266 12.801 1.00 0.00 C ATOM 218 C ASP A 53 5.621 1.875 13.571 1.00 0.00 C ATOM 219 O ASP A 53 4.555 1.279 13.655 1.00 0.00 O ATOM 220 CB ASP A 53 7.274 -0.067 13.427 1.00 0.00 C ATOM 221 CG ASP A 53 6.201 -1.151 13.527 1.00 0.00 C ATOM 222 OD1 ASP A 53 5.572 -1.229 14.610 1.00 0.00 O ATOM 223 OD2 ASP A 53 6.141 -1.976 12.588 1.00 0.00 O ATOM 0 H ASP A 53 8.860 1.641 12.896 1.00 0.00 H new ATOM 0 HA ASP A 53 6.344 1.139 11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.105 -0.453 12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.660 0.135 14.426 1.00 0.00 H new ATOM 224 N GLN A 54 5.843 3.074 14.097 1.00 0.00 N ATOM 225 CA GLN A 54 4.814 3.980 14.646 1.00 0.00 C ATOM 226 C GLN A 54 3.640 4.213 13.694 1.00 0.00 C ATOM 227 O GLN A 54 2.515 4.447 14.127 1.00 0.00 O ATOM 228 CB GLN A 54 5.405 5.360 14.937 1.00 0.00 C ATOM 229 CG GLN A 54 6.295 5.404 16.184 1.00 0.00 C ATOM 230 CD GLN A 54 7.595 4.603 16.062 1.00 0.00 C ATOM 231 OE1 GLN A 54 8.145 4.316 15.007 1.00 0.00 O ATOM 232 NE2 GLN A 54 8.042 4.118 17.194 1.00 0.00 N ATOM 0 H GLN A 54 6.782 3.468 14.160 1.00 0.00 H new ATOM 0 HA GLN A 54 4.459 3.484 15.549 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.988 5.684 14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.591 6.075 15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.542 6.443 16.403 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.728 5.025 17.034 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.580 4.360 18.070 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.852 3.498 17.199 1.00 0.00 H new ATOM 233 N HIS A 55 3.986 4.330 12.414 1.00 0.00 N ATOM 234 CA HIS A 55 3.003 4.543 11.332 1.00 0.00 C ATOM 235 C HIS A 55 2.960 3.384 10.339 1.00 0.00 C ATOM 236 O HIS A 55 1.884 2.966 9.905 1.00 0.00 O ATOM 237 CB HIS A 55 3.272 5.848 10.592 1.00 0.00 C ATOM 238 CG HIS A 55 3.081 7.097 11.449 1.00 0.00 C ATOM 239 ND1 HIS A 55 3.838 8.194 11.417 1.00 0.00 N ATOM 240 CD2 HIS A 55 2.149 7.277 12.384 1.00 0.00 C ATOM 241 CE1 HIS A 55 3.376 9.044 12.311 1.00 0.00 C ATOM 242 NE2 HIS A 55 2.325 8.488 12.896 1.00 0.00 N ATOM 0 H HIS A 55 4.952 4.281 12.089 1.00 0.00 H new ATOM 0 HA HIS A 55 2.028 4.599 11.816 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.293 5.834 10.211 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.610 5.907 9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.389 6.566 12.673 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.782 10.021 12.529 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.748 8.919 13.619 1.00 0.00 H new ATOM 243 N ILE A 56 4.137 2.935 9.931 1.00 0.00 N ATOM 244 CA ILE A 56 4.296 1.702 9.152 1.00 0.00 C ATOM 245 C ILE A 56 4.124 0.454 10.038 1.00 0.00 C ATOM 246 O ILE A 56 5.070 -0.132 10.547 1.00 0.00 O ATOM 247 CB ILE A 56 5.539 1.738 8.242 1.00 0.00 C ATOM 248 CG1 ILE A 56 5.721 0.430 7.474 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.856 2.124 8.931 1.00 0.00 C ATOM 250 CD1 ILE A 56 4.569 0.217 6.508 1.00 0.00 C ATOM 0 H ILE A 56 5.016 3.413 10.128 1.00 0.00 H new ATOM 0 HA ILE A 56 3.479 1.628 8.434 1.00 0.00 H new ATOM 0 HB ILE A 56 5.319 2.550 7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.663 0.451 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.777 -0.405 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.664 2.118 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.763 3.121 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.077 1.407 9.722 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.714 -0.719 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.632 0.174 7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.533 1.043 5.797 1.00 0.00 H new ATOM 251 N GLN A 57 2.867 0.351 10.428 1.00 0.00 N ATOM 252 CA GLN A 57 2.271 -0.801 11.121 1.00 0.00 C ATOM 253 C GLN A 57 0.878 -0.977 10.533 1.00 0.00 C ATOM 254 O GLN A 57 0.079 -0.036 10.488 1.00 0.00 O ATOM 255 CB GLN A 57 2.167 -0.535 12.621 1.00 0.00 C ATOM 256 CG GLN A 57 2.281 -1.859 13.378 1.00 0.00 C ATOM 257 CD GLN A 57 1.803 -1.697 14.816 1.00 0.00 C ATOM 258 OE1 GLN A 57 0.634 -1.865 15.141 1.00 0.00 O ATOM 259 NE2 GLN A 57 2.713 -1.379 15.717 1.00 0.00 N ATOM 0 H GLN A 57 2.192 1.099 10.267 1.00 0.00 H new ATOM 0 HA GLN A 57 2.883 -1.693 10.989 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.957 0.147 12.937 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.218 -0.052 12.851 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.688 -2.624 12.876 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.316 -2.201 13.369 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.684 -1.242 15.435 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.446 -1.271 16.695 1.00 0.00 H new ATOM 260 N LEU A 58 0.676 -2.136 9.919 1.00 0.00 N ATOM 261 CA LEU A 58 -0.539 -2.441 9.156 1.00 0.00 C ATOM 262 C LEU A 58 -1.215 -3.772 9.506 1.00 0.00 C ATOM 263 O LEU A 58 -0.622 -4.663 10.114 1.00 0.00 O ATOM 264 CB LEU A 58 -0.283 -2.318 7.649 1.00 0.00 C ATOM 265 CG LEU A 58 0.897 -3.165 7.150 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.436 -4.150 6.072 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.976 -2.236 6.606 1.00 0.00 C ATOM 0 H LEU A 58 1.352 -2.899 9.933 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.262 -1.685 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.184 -2.614 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.096 -1.272 7.406 1.00 0.00 H new ATOM 0 HG LEU A 58 1.303 -3.747 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.286 -4.741 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.324 -4.813 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.017 -3.598 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.819 -2.827 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.569 -1.649 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.312 -1.566 7.397 1.00 0.00 H new ATOM 268 N GLN A 59 -2.497 -3.807 9.171 1.00 0.00 N ATOM 269 CA GLN A 59 -3.356 -4.992 9.329 1.00 0.00 C ATOM 270 C GLN A 59 -3.949 -5.343 7.955 1.00 0.00 C ATOM 271 O GLN A 59 -4.622 -4.518 7.336 1.00 0.00 O ATOM 272 CB GLN A 59 -4.468 -4.627 10.292 1.00 0.00 C ATOM 273 CG GLN A 59 -5.248 -5.840 10.802 1.00 0.00 C ATOM 274 CD GLN A 59 -6.510 -5.346 11.495 1.00 0.00 C ATOM 275 OE1 GLN A 59 -7.587 -5.245 10.910 1.00 0.00 O ATOM 276 NE2 GLN A 59 -6.403 -5.024 12.768 1.00 0.00 N ATOM 0 H GLN A 59 -2.986 -3.004 8.775 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.796 -5.846 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.043 -4.093 11.142 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.157 -3.942 9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.504 -6.501 9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.637 -6.419 11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.504 -5.112 13.243 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.219 -4.687 13.279 1.00 0.00 H new ATOM 277 N LEU A 60 -3.680 -6.564 7.512 1.00 0.00 N ATOM 278 CA LEU A 60 -4.199 -7.064 6.234 1.00 0.00 C ATOM 279 C LEU A 60 -5.556 -7.742 6.407 1.00 0.00 C ATOM 280 O LEU A 60 -5.730 -8.958 6.303 1.00 0.00 O ATOM 281 CB LEU A 60 -3.172 -8.029 5.602 1.00 0.00 C ATOM 282 CG LEU A 60 -1.825 -7.369 5.310 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.782 -8.454 5.025 1.00 0.00 C ATOM 284 CD2 LEU A 60 -1.898 -6.384 4.136 1.00 0.00 C ATOM 0 H LEU A 60 -3.102 -7.235 8.019 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.350 -6.217 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.017 -8.874 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.582 -8.429 4.675 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.538 -6.793 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.181 -7.987 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.688 -9.106 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.095 -9.042 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.915 -5.943 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.215 -6.912 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.615 -5.596 4.366 1.00 0.00 H new ATOM 285 N SER A 61 -6.557 -6.870 6.458 1.00 0.00 N ATOM 286 CA SER A 61 -7.904 -7.253 6.908 1.00 0.00 C ATOM 287 C SER A 61 -8.845 -7.614 5.748 1.00 0.00 C ATOM 288 O SER A 61 -9.523 -6.796 5.144 1.00 0.00 O ATOM 289 CB SER A 61 -8.414 -6.118 7.775 1.00 0.00 C ATOM 290 OG SER A 61 -9.477 -6.589 8.599 1.00 0.00 O ATOM 0 H SER A 61 -6.467 -5.889 6.194 1.00 0.00 H new ATOM 0 HA SER A 61 -7.865 -8.174 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.606 -5.728 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.762 -5.296 7.149 1.00 0.00 H new ATOM 0 HG SER A 61 -9.805 -5.856 9.160 1.00 0.00 H new ATOM 291 N ALA A 62 -8.475 -8.771 5.228 1.00 0.00 N ATOM 292 CA ALA A 62 -9.120 -9.467 4.108 1.00 0.00 C ATOM 293 C ALA A 62 -10.641 -9.649 4.127 1.00 0.00 C ATOM 294 O ALA A 62 -11.188 -10.518 4.809 1.00 0.00 O ATOM 295 CB ALA A 62 -8.425 -10.827 3.918 1.00 0.00 C ATOM 0 H ALA A 62 -7.672 -9.286 5.590 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.989 -8.786 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.890 -11.361 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.369 -10.669 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.523 -11.416 4.830 1.00 0.00 H new ATOM 296 N GLU A 63 -11.182 -9.092 3.055 1.00 0.00 N ATOM 297 CA GLU A 63 -12.582 -9.299 2.657 1.00 0.00 C ATOM 298 C GLU A 63 -12.655 -10.532 1.712 1.00 0.00 C ATOM 299 O GLU A 63 -13.245 -10.549 0.639 1.00 0.00 O ATOM 300 CB GLU A 63 -13.081 -8.013 2.007 1.00 0.00 C ATOM 301 CG GLU A 63 -14.618 -7.948 1.990 1.00 0.00 C ATOM 302 CD GLU A 63 -15.087 -6.737 1.179 1.00 0.00 C ATOM 303 OE1 GLU A 63 -15.023 -6.846 -0.069 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.416 -5.712 1.813 1.00 0.00 O ATOM 0 H GLU A 63 -10.665 -8.477 2.426 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.227 -9.513 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.686 -7.154 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.702 -7.949 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.023 -8.863 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.998 -7.881 3.010 1.00 0.00 H new ATOM 305 N SER A 64 -11.824 -11.501 2.114 1.00 0.00 N ATOM 306 CA SER A 64 -11.712 -12.901 1.640 1.00 0.00 C ATOM 307 C SER A 64 -11.025 -13.217 0.312 1.00 0.00 C ATOM 308 O SER A 64 -10.077 -14.009 0.311 1.00 0.00 O ATOM 309 CB SER A 64 -13.076 -13.596 1.775 1.00 0.00 C ATOM 310 OG SER A 64 -12.950 -14.997 1.512 1.00 0.00 O ATOM 0 H SER A 64 -11.144 -11.315 2.851 1.00 0.00 H new ATOM 0 HA SER A 64 -10.963 -13.317 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.472 -13.442 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.788 -13.152 1.080 1.00 0.00 H new ATOM 0 HG SER A 64 -13.826 -15.427 1.603 1.00 0.00 H new ATOM 311 N VAL A 65 -11.300 -12.468 -0.742 1.00 0.00 N ATOM 312 CA VAL A 65 -10.744 -12.750 -2.088 1.00 0.00 C ATOM 313 C VAL A 65 -9.696 -11.692 -2.490 1.00 0.00 C ATOM 314 O VAL A 65 -9.957 -10.737 -3.216 1.00 0.00 O ATOM 315 CB VAL A 65 -11.848 -12.918 -3.163 1.00 0.00 C ATOM 316 CG1 VAL A 65 -11.246 -13.425 -4.492 1.00 0.00 C ATOM 317 CG2 VAL A 65 -12.917 -13.936 -2.741 1.00 0.00 C ATOM 0 H VAL A 65 -11.908 -11.650 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.234 -13.711 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.300 -11.934 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.039 -13.536 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.509 -12.708 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.765 -14.389 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.669 -14.020 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.450 -14.908 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.391 -13.604 -1.818 1.00 0.00 H new ATOM 318 N GLY A 66 -8.602 -11.758 -1.749 1.00 0.00 N ATOM 319 CA GLY A 66 -7.369 -10.971 -1.980 1.00 0.00 C ATOM 320 C GLY A 66 -7.406 -9.527 -1.460 1.00 0.00 C ATOM 321 O GLY A 66 -6.419 -9.003 -0.961 1.00 0.00 O ATOM 0 H GLY A 66 -8.530 -12.376 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.534 -11.488 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.167 -10.949 -3.051 1.00 0.00 H new ATOM 322 N GLU A 67 -8.535 -8.877 -1.700 1.00 0.00 N ATOM 323 CA GLU A 67 -8.804 -7.473 -1.301 1.00 0.00 C ATOM 324 C GLU A 67 -8.849 -7.317 0.224 1.00 0.00 C ATOM 325 O GLU A 67 -9.738 -7.813 0.930 1.00 0.00 O ATOM 326 CB GLU A 67 -10.004 -6.894 -2.068 1.00 0.00 C ATOM 327 CG GLU A 67 -11.420 -7.334 -1.668 1.00 0.00 C ATOM 328 CD GLU A 67 -11.780 -8.794 -1.932 1.00 0.00 C ATOM 329 OE1 GLU A 67 -11.378 -9.612 -1.074 1.00 0.00 O ATOM 330 OE2 GLU A 67 -12.430 -9.052 -2.963 1.00 0.00 O ATOM 0 H GLU A 67 -9.319 -9.308 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.964 -6.848 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.959 -5.808 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.869 -7.135 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.550 -7.138 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.135 -6.705 -2.198 1.00 0.00 H new ATOM 331 N VAL A 68 -7.734 -6.778 0.690 1.00 0.00 N ATOM 332 CA VAL A 68 -7.455 -6.520 2.120 1.00 0.00 C ATOM 333 C VAL A 68 -7.609 -5.018 2.438 1.00 0.00 C ATOM 334 O VAL A 68 -7.077 -4.147 1.753 1.00 0.00 O ATOM 335 CB VAL A 68 -6.074 -7.012 2.592 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.984 -8.533 2.587 1.00 0.00 C ATOM 337 CG2 VAL A 68 -4.885 -6.444 1.816 1.00 0.00 C ATOM 0 H VAL A 68 -6.968 -6.495 0.079 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.194 -7.102 2.671 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.999 -6.629 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.995 -8.840 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.741 -8.944 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.152 -8.904 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.958 -6.849 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.971 -6.719 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.877 -5.358 1.907 1.00 0.00 H new ATOM 338 N TYR A 69 -8.385 -4.793 3.478 1.00 0.00 N ATOM 339 CA TYR A 69 -8.549 -3.475 4.116 1.00 0.00 C ATOM 340 C TYR A 69 -7.316 -3.242 5.003 1.00 0.00 C ATOM 341 O TYR A 69 -7.131 -3.934 6.010 1.00 0.00 O ATOM 342 CB TYR A 69 -9.779 -3.413 5.032 1.00 0.00 C ATOM 343 CG TYR A 69 -11.117 -3.393 4.298 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.504 -2.212 3.645 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.013 -4.468 4.492 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.830 -2.096 3.184 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.339 -4.352 4.031 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.731 -3.164 3.373 1.00 0.00 C ATOM 349 OH TYR A 69 -14.983 -3.048 2.854 1.00 0.00 O ATOM 0 H TYR A 69 -8.936 -5.527 3.923 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.668 -2.730 3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.760 -4.272 5.703 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.708 -2.521 5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.798 -1.408 3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.685 -5.369 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.155 -1.193 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.044 -5.157 4.178 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.254 -3.903 2.460 1.00 0.00 H new ATOM 350 N ILE A 70 -6.354 -2.507 4.466 1.00 0.00 N ATOM 351 CA ILE A 70 -5.123 -2.250 5.224 1.00 0.00 C ATOM 352 C ILE A 70 -5.289 -1.130 6.238 1.00 0.00 C ATOM 353 O ILE A 70 -4.982 0.046 6.016 1.00 0.00 O ATOM 354 CB ILE A 70 -3.926 -2.034 4.275 1.00 0.00 C ATOM 355 CG1 ILE A 70 -3.785 -3.244 3.342 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.612 -1.793 5.044 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.886 -3.028 2.111 1.00 0.00 C ATOM 0 H ILE A 70 -6.390 -2.086 3.538 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.905 -3.141 5.813 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.122 -1.137 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.389 -4.081 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.778 -3.534 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.797 -1.646 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.714 -0.906 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.395 -2.657 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.854 -3.943 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.288 -2.217 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.878 -2.772 2.437 1.00 0.00 H new ATOM 358 N LYS A 71 -5.719 -1.569 7.406 1.00 0.00 N ATOM 359 CA LYS A 71 -5.841 -0.710 8.573 1.00 0.00 C ATOM 360 C LYS A 71 -4.428 -0.497 9.131 1.00 0.00 C ATOM 361 O LYS A 71 -3.734 -1.421 9.520 1.00 0.00 O ATOM 362 CB LYS A 71 -6.699 -1.466 9.567 1.00 0.00 C ATOM 363 CG LYS A 71 -7.133 -0.585 10.727 1.00 0.00 C ATOM 364 CD LYS A 71 -6.918 -1.409 11.986 1.00 0.00 C ATOM 365 CE LYS A 71 -7.204 -0.619 13.268 1.00 0.00 C ATOM 366 NZ LYS A 71 -8.643 -0.394 13.422 1.00 0.00 N ATOM 0 H LYS A 71 -5.995 -2.536 7.575 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.288 0.259 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.580 -1.859 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.143 -2.322 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.548 0.334 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.179 -0.294 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.563 -2.287 11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.889 -1.769 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.821 -1.164 14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.682 0.337 13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.819 0.142 14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.999 0.145 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.134 -1.309 13.473 1.00 0.00 H new ATOM 367 N SER A 72 -4.085 0.771 9.234 1.00 0.00 N ATOM 368 CA SER A 72 -2.800 1.246 9.776 1.00 0.00 C ATOM 369 C SER A 72 -2.959 1.451 11.289 1.00 0.00 C ATOM 370 O SER A 72 -3.234 2.546 11.801 1.00 0.00 O ATOM 371 CB SER A 72 -2.314 2.479 9.008 1.00 0.00 C ATOM 372 OG SER A 72 -3.107 3.648 9.253 1.00 0.00 O ATOM 0 H SER A 72 -4.699 1.530 8.939 1.00 0.00 H new ATOM 0 HA SER A 72 -2.011 0.507 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.280 2.686 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.322 2.260 7.940 1.00 0.00 H new ATOM 0 HG SER A 72 -2.832 4.059 10.099 1.00 0.00 H new ATOM 373 N THR A 73 -3.197 0.278 11.856 1.00 0.00 N ATOM 374 CA THR A 73 -3.391 -0.063 13.287 1.00 0.00 C ATOM 375 C THR A 73 -3.220 1.071 14.315 1.00 0.00 C ATOM 376 O THR A 73 -4.187 1.509 14.938 1.00 0.00 O ATOM 377 CB THR A 73 -2.495 -1.242 13.666 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.129 -0.924 13.371 1.00 0.00 O ATOM 379 CG2 THR A 73 -2.923 -2.527 12.945 1.00 0.00 C ATOM 0 H THR A 73 -3.270 -0.558 11.276 1.00 0.00 H new ATOM 0 HA THR A 73 -4.450 -0.312 13.350 1.00 0.00 H new ATOM 0 HB THR A 73 -2.597 -1.422 14.736 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.580 -1.069 14.170 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.265 -3.345 13.238 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.950 -2.772 13.217 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.859 -2.378 11.867 1.00 0.00 H new ATOM 380 N GLU A 74 -2.042 1.677 14.291 1.00 0.00 N ATOM 381 CA GLU A 74 -1.587 2.711 15.238 1.00 0.00 C ATOM 382 C GLU A 74 -2.251 4.095 15.141 1.00 0.00 C ATOM 383 O GLU A 74 -2.256 4.859 16.103 1.00 0.00 O ATOM 384 CB GLU A 74 -0.078 2.863 15.106 1.00 0.00 C ATOM 385 CG GLU A 74 0.571 2.341 16.385 1.00 0.00 C ATOM 386 CD GLU A 74 2.067 2.634 16.473 1.00 0.00 C ATOM 387 OE1 GLU A 74 2.400 3.689 17.064 1.00 0.00 O ATOM 388 OE2 GLU A 74 2.850 1.721 16.118 1.00 0.00 O ATOM 0 H GLU A 74 -1.339 1.459 13.584 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.897 2.343 16.216 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.285 2.307 14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.186 3.908 14.946 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.071 2.786 17.245 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.416 1.264 16.448 1.00 0.00 H new ATOM 389 N THR A 75 -2.665 4.429 13.937 1.00 0.00 N ATOM 390 CA THR A 75 -3.435 5.659 13.643 1.00 0.00 C ATOM 391 C THR A 75 -4.937 5.354 13.480 1.00 0.00 C ATOM 392 O THR A 75 -5.735 6.277 13.306 1.00 0.00 O ATOM 393 CB THR A 75 -2.946 6.384 12.396 1.00 0.00 C ATOM 394 OG1 THR A 75 -2.969 5.550 11.236 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.573 7.029 12.614 1.00 0.00 C ATOM 0 H THR A 75 -2.483 3.858 13.111 1.00 0.00 H new ATOM 0 HA THR A 75 -3.277 6.312 14.501 1.00 0.00 H new ATOM 0 HB THR A 75 -3.653 7.192 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.246 6.079 10.459 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.260 7.536 11.701 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.636 7.752 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.845 6.258 12.869 1.00 0.00 H new ATOM 396 N GLY A 76 -5.221 4.066 13.305 1.00 0.00 N ATOM 397 CA GLY A 76 -6.571 3.497 13.152 1.00 0.00 C ATOM 398 C GLY A 76 -7.241 3.779 11.794 1.00 0.00 C ATOM 399 O GLY A 76 -8.397 3.439 11.582 1.00 0.00 O ATOM 0 H GLY A 76 -4.491 3.355 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.514 2.418 13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.208 3.891 13.944 1.00 0.00 H new ATOM 400 N GLN A 77 -6.400 4.191 10.850 1.00 0.00 N ATOM 401 CA GLN A 77 -6.828 4.582 9.496 1.00 0.00 C ATOM 402 C GLN A 77 -6.747 3.401 8.525 1.00 0.00 C ATOM 403 O GLN A 77 -5.987 2.472 8.731 1.00 0.00 O ATOM 404 CB GLN A 77 -5.917 5.691 8.962 1.00 0.00 C ATOM 405 CG GLN A 77 -6.195 7.067 9.560 1.00 0.00 C ATOM 406 CD GLN A 77 -5.034 8.021 9.235 1.00 0.00 C ATOM 407 OE1 GLN A 77 -3.875 7.767 9.548 1.00 0.00 O ATOM 408 NE2 GLN A 77 -5.307 9.101 8.541 1.00 0.00 N ATOM 0 H GLN A 77 -5.393 4.266 10.997 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.860 4.926 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.880 5.422 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.028 5.748 7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.128 7.465 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.320 6.986 10.640 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.271 9.310 8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.555 9.731 8.261 1.00 0.00 H new ATOM 409 N TYR A 78 -7.608 3.420 7.525 1.00 0.00 N ATOM 410 CA TYR A 78 -7.605 2.447 6.424 1.00 0.00 C ATOM 411 C TYR A 78 -6.874 3.040 5.222 1.00 0.00 C ATOM 412 O TYR A 78 -7.118 4.176 4.826 1.00 0.00 O ATOM 413 CB TYR A 78 -9.049 2.097 6.029 1.00 0.00 C ATOM 414 CG TYR A 78 -9.793 1.365 7.146 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.343 2.101 8.217 1.00 0.00 C ATOM 416 CD2 TYR A 78 -9.765 -0.052 7.153 1.00 0.00 C ATOM 417 CE1 TYR A 78 -10.854 1.414 9.335 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.290 -0.737 8.268 1.00 0.00 C ATOM 419 CZ TYR A 78 -10.804 0.001 9.344 1.00 0.00 C ATOM 420 OH TYR A 78 -11.194 -0.648 10.473 1.00 0.00 O ATOM 0 H TYR A 78 -8.346 4.120 7.444 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.095 1.540 6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.586 3.011 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.038 1.475 5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.372 3.180 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.349 -0.598 6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.276 1.956 10.169 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.296 -1.817 8.293 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.110 -1.615 10.340 1.00 0.00 H new ATOM 421 N LEU A 79 -5.841 2.316 4.792 1.00 0.00 N ATOM 422 CA LEU A 79 -5.123 2.630 3.546 1.00 0.00 C ATOM 423 C LEU A 79 -6.112 2.561 2.388 1.00 0.00 C ATOM 424 O LEU A 79 -6.867 1.610 2.259 1.00 0.00 O ATOM 425 CB LEU A 79 -4.056 1.547 3.403 1.00 0.00 C ATOM 426 CG LEU A 79 -2.951 1.941 2.420 1.00 0.00 C ATOM 427 CD1 LEU A 79 -1.898 2.786 3.133 1.00 0.00 C ATOM 428 CD2 LEU A 79 -2.303 0.686 1.852 1.00 0.00 C ATOM 0 H LEU A 79 -5.477 1.502 5.288 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.674 3.623 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.615 1.345 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.524 0.622 3.067 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.385 2.524 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.115 3.063 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.363 3.688 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.463 2.211 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.516 0.968 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.873 0.099 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.055 0.091 1.333 1.00 0.00 H new ATOM 429 N ALA A 80 -6.158 3.665 1.650 1.00 0.00 N ATOM 430 CA ALA A 80 -7.249 3.917 0.701 1.00 0.00 C ATOM 431 C ALA A 80 -6.780 4.656 -0.546 1.00 0.00 C ATOM 432 O ALA A 80 -6.014 5.617 -0.455 1.00 0.00 O ATOM 433 CB ALA A 80 -8.293 4.745 1.441 1.00 0.00 C ATOM 0 H ALA A 80 -5.455 4.403 1.687 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.655 2.967 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.128 4.959 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.653 4.188 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.846 5.682 1.774 1.00 0.00 H new ATOM 434 N MET A 81 -7.310 4.231 -1.682 1.00 0.00 N ATOM 435 CA MET A 81 -6.917 4.830 -2.968 1.00 0.00 C ATOM 436 C MET A 81 -7.993 5.737 -3.574 1.00 0.00 C ATOM 437 O MET A 81 -9.172 5.686 -3.234 1.00 0.00 O ATOM 438 CB MET A 81 -6.502 3.711 -3.918 1.00 0.00 C ATOM 439 CG MET A 81 -5.784 4.214 -5.177 1.00 0.00 C ATOM 440 SD MET A 81 -4.478 3.061 -5.761 1.00 0.00 S ATOM 441 CE MET A 81 -5.211 2.547 -7.287 1.00 0.00 C ATOM 0 H MET A 81 -8.003 3.486 -1.751 1.00 0.00 H new ATOM 0 HA MET A 81 -6.072 5.495 -2.793 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.848 3.019 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.388 3.149 -4.214 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.515 4.361 -5.972 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.338 5.187 -4.971 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.104 1.468 -7.397 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.269 2.809 -7.289 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.712 3.047 -8.117 1.00 0.00 H new ATOM 442 N ASP A 82 -7.435 6.828 -4.088 1.00 0.00 N ATOM 443 CA ASP A 82 -8.124 7.826 -4.934 1.00 0.00 C ATOM 444 C ASP A 82 -7.782 7.567 -6.409 1.00 0.00 C ATOM 445 O ASP A 82 -6.748 6.987 -6.734 1.00 0.00 O ATOM 446 CB ASP A 82 -7.673 9.180 -4.385 1.00 0.00 C ATOM 447 CG ASP A 82 -7.961 10.383 -5.278 1.00 0.00 C ATOM 448 OD1 ASP A 82 -9.097 10.903 -5.203 1.00 0.00 O ATOM 449 OD2 ASP A 82 -7.086 10.631 -6.125 1.00 0.00 O ATOM 0 H ASP A 82 -6.455 7.060 -3.928 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.213 7.780 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.157 9.341 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.600 9.137 -4.199 1.00 0.00 H new ATOM 450 N THR A 83 -8.569 8.198 -7.275 1.00 0.00 N ATOM 451 CA THR A 83 -8.526 8.117 -8.750 1.00 0.00 C ATOM 452 C THR A 83 -7.389 8.845 -9.462 1.00 0.00 C ATOM 453 O THR A 83 -7.403 9.027 -10.677 1.00 0.00 O ATOM 454 CB THR A 83 -9.853 8.655 -9.296 1.00 0.00 C ATOM 455 OG1 THR A 83 -10.067 9.944 -8.708 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.026 7.720 -8.972 1.00 0.00 C ATOM 0 H THR A 83 -9.307 8.824 -6.954 1.00 0.00 H new ATOM 0 HA THR A 83 -8.347 7.062 -8.959 1.00 0.00 H new ATOM 0 HB THR A 83 -9.800 8.722 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.910 10.319 -9.039 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.947 8.139 -9.377 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.845 6.742 -9.418 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.120 7.615 -7.891 1.00 0.00 H new ATOM 457 N ASP A 84 -6.431 9.267 -8.668 1.00 0.00 N ATOM 458 CA ASP A 84 -5.107 9.676 -9.159 1.00 0.00 C ATOM 459 C ASP A 84 -4.013 8.670 -8.739 1.00 0.00 C ATOM 460 O ASP A 84 -2.843 8.833 -9.073 1.00 0.00 O ATOM 461 CB ASP A 84 -4.756 11.047 -8.580 1.00 0.00 C ATOM 462 CG ASP A 84 -3.657 11.752 -9.390 1.00 0.00 C ATOM 463 OD1 ASP A 84 -3.942 12.079 -10.557 1.00 0.00 O ATOM 464 OD2 ASP A 84 -2.578 11.996 -8.801 1.00 0.00 O ATOM 0 H ASP A 84 -6.535 9.342 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.148 9.712 -10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.649 11.672 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.427 10.931 -7.547 1.00 0.00 H new ATOM 465 N GLY A 85 -4.484 7.527 -8.251 1.00 0.00 N ATOM 466 CA GLY A 85 -3.718 6.535 -7.477 1.00 0.00 C ATOM 467 C GLY A 85 -3.030 7.168 -6.268 1.00 0.00 C ATOM 468 O GLY A 85 -1.853 6.944 -6.014 1.00 0.00 O ATOM 0 H GLY A 85 -5.455 7.246 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.386 5.741 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.970 6.071 -8.120 1.00 0.00 H new ATOM 469 N LEU A 86 -3.833 7.884 -5.494 1.00 0.00 N ATOM 470 CA LEU A 86 -3.304 8.606 -4.338 1.00 0.00 C ATOM 471 C LEU A 86 -3.846 7.954 -3.071 1.00 0.00 C ATOM 472 O LEU A 86 -5.054 7.829 -2.891 1.00 0.00 O ATOM 473 CB LEU A 86 -3.677 10.084 -4.403 1.00 0.00 C ATOM 474 CG LEU A 86 -2.731 10.904 -3.509 1.00 0.00 C ATOM 475 CD1 LEU A 86 -2.438 12.248 -4.174 1.00 0.00 C ATOM 476 CD2 LEU A 86 -3.277 11.075 -2.088 1.00 0.00 C ATOM 0 H LEU A 86 -4.838 7.982 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.215 8.553 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.616 10.438 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.708 10.222 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.796 10.354 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.768 12.829 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.967 12.080 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.370 12.795 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.574 11.661 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.236 11.591 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.410 10.095 -1.629 1.00 0.00 H new ATOM 477 N LEU A 87 -2.904 7.348 -2.378 1.00 0.00 N ATOM 478 CA LEU A 87 -3.208 6.725 -1.076 1.00 0.00 C ATOM 479 C LEU A 87 -3.231 7.710 0.085 1.00 0.00 C ATOM 480 O LEU A 87 -2.412 8.608 0.254 1.00 0.00 O ATOM 481 CB LEU A 87 -2.305 5.545 -0.728 1.00 0.00 C ATOM 482 CG LEU A 87 -2.755 4.201 -1.305 1.00 0.00 C ATOM 483 CD1 LEU A 87 -2.867 4.184 -2.830 1.00 0.00 C ATOM 484 CD2 LEU A 87 -1.750 3.124 -0.894 1.00 0.00 C ATOM 0 H LEU A 87 -1.932 7.266 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.219 6.343 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.298 5.759 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.247 5.458 0.357 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.752 4.016 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.191 3.197 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.594 4.930 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.896 4.413 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.061 2.162 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.764 3.380 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.707 3.062 0.193 1.00 0.00 H new ATOM 485 N TYR A 88 -4.354 7.525 0.751 1.00 0.00 N ATOM 486 CA TYR A 88 -4.746 8.277 1.967 1.00 0.00 C ATOM 487 C TYR A 88 -5.258 7.357 3.076 1.00 0.00 C ATOM 488 O TYR A 88 -5.560 6.182 2.858 1.00 0.00 O ATOM 489 CB TYR A 88 -5.740 9.404 1.658 1.00 0.00 C ATOM 490 CG TYR A 88 -7.033 8.938 0.971 1.00 0.00 C ATOM 491 CD1 TYR A 88 -6.991 8.692 -0.412 1.00 0.00 C ATOM 492 CD2 TYR A 88 -8.195 8.691 1.735 1.00 0.00 C ATOM 493 CE1 TYR A 88 -8.100 8.117 -1.042 1.00 0.00 C ATOM 494 CE2 TYR A 88 -9.316 8.135 1.104 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.248 7.827 -0.275 1.00 0.00 C ATOM 496 OH TYR A 88 -10.231 7.094 -0.876 1.00 0.00 O ATOM 0 H TYR A 88 -5.049 6.834 0.469 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.838 8.750 2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.999 9.909 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.250 10.140 1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.110 8.945 -0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.219 8.927 2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.078 7.898 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.220 7.944 1.663 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.867 6.646 -1.668 1.00 0.00 H new ATOM 497 N GLY A 89 -5.225 7.914 4.275 1.00 0.00 N ATOM 498 CA GLY A 89 -5.719 7.313 5.523 1.00 0.00 C ATOM 499 C GLY A 89 -7.185 7.692 5.724 1.00 0.00 C ATOM 500 O GLY A 89 -7.506 8.833 6.064 1.00 0.00 O ATOM 0 H GLY A 89 -4.835 8.845 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.615 6.229 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.123 7.660 6.367 1.00 0.00 H new ATOM 501 N SER A 90 -8.030 6.732 5.388 1.00 0.00 N ATOM 502 CA SER A 90 -9.487 6.888 5.543 1.00 0.00 C ATOM 503 C SER A 90 -10.052 6.225 6.777 1.00 0.00 C ATOM 504 O SER A 90 -9.722 5.108 7.189 1.00 0.00 O ATOM 505 CB SER A 90 -10.230 6.444 4.276 1.00 0.00 C ATOM 506 OG SER A 90 -11.639 6.633 4.408 1.00 0.00 O ATOM 0 H SER A 90 -7.743 5.831 5.005 1.00 0.00 H new ATOM 0 HA SER A 90 -9.654 7.955 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.864 7.010 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.019 5.393 4.077 1.00 0.00 H new ATOM 0 HG SER A 90 -12.086 6.343 3.586 1.00 0.00 H new ATOM 507 N GLN A 91 -11.069 6.937 7.193 1.00 0.00 N ATOM 508 CA GLN A 91 -11.913 6.694 8.367 1.00 0.00 C ATOM 509 C GLN A 91 -12.945 5.557 8.179 1.00 0.00 C ATOM 510 O GLN A 91 -13.365 4.907 9.130 1.00 0.00 O ATOM 511 CB GLN A 91 -12.580 8.016 8.721 1.00 0.00 C ATOM 512 CG GLN A 91 -13.304 8.605 7.519 1.00 0.00 C ATOM 513 CD GLN A 91 -14.180 9.818 7.853 1.00 0.00 C ATOM 514 OE1 GLN A 91 -13.743 10.949 7.945 1.00 0.00 O ATOM 515 NE2 GLN A 91 -15.468 9.555 7.980 1.00 0.00 N ATOM 0 H GLN A 91 -11.363 7.773 6.687 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.285 6.339 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.287 7.863 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.829 8.721 9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.567 8.897 6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.927 7.832 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.803 8.595 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.128 10.312 8.161 1.00 0.00 H new ATOM 516 N THR A 92 -13.319 5.349 6.925 1.00 0.00 N ATOM 517 CA THR A 92 -14.352 4.384 6.514 1.00 0.00 C ATOM 518 C THR A 92 -13.734 3.270 5.665 1.00 0.00 C ATOM 519 O THR A 92 -13.029 3.569 4.702 1.00 0.00 O ATOM 520 CB THR A 92 -15.463 5.080 5.719 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.888 5.952 4.740 1.00 0.00 O ATOM 522 CG2 THR A 92 -16.450 5.826 6.630 1.00 0.00 C ATOM 0 H THR A 92 -12.908 5.854 6.140 1.00 0.00 H new ATOM 0 HA THR A 92 -14.784 3.950 7.416 1.00 0.00 H new ATOM 0 HB THR A 92 -16.043 4.312 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.549 5.422 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 92 -17.218 6.303 6.021 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.917 5.119 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.916 6.586 7.200 1.00 0.00 H new ATOM 523 N PRO A 93 -13.933 2.006 6.058 1.00 0.00 N ATOM 524 CA PRO A 93 -13.551 0.842 5.244 1.00 0.00 C ATOM 525 C PRO A 93 -14.493 0.704 4.040 1.00 0.00 C ATOM 526 O PRO A 93 -15.698 0.483 4.180 1.00 0.00 O ATOM 527 CB PRO A 93 -13.614 -0.351 6.198 1.00 0.00 C ATOM 528 CG PRO A 93 -14.654 0.073 7.234 1.00 0.00 C ATOM 529 CD PRO A 93 -14.387 1.576 7.390 1.00 0.00 C ATOM 0 HA PRO A 93 -12.553 0.928 4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.912 -1.263 5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.646 -0.548 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.670 -0.124 6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.527 -0.460 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.287 2.110 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.629 1.768 8.150 1.00 0.00 H new ATOM 530 N ASN A 94 -13.938 0.994 2.872 1.00 0.00 N ATOM 531 CA ASN A 94 -14.729 1.081 1.626 1.00 0.00 C ATOM 532 C ASN A 94 -14.062 0.257 0.508 1.00 0.00 C ATOM 533 O ASN A 94 -12.886 -0.094 0.577 1.00 0.00 O ATOM 534 CB ASN A 94 -14.804 2.545 1.179 1.00 0.00 C ATOM 535 CG ASN A 94 -15.337 3.554 2.217 1.00 0.00 C ATOM 536 OD1 ASN A 94 -14.703 4.554 2.507 1.00 0.00 O ATOM 537 ND2 ASN A 94 -16.463 3.286 2.848 1.00 0.00 N ATOM 0 H ASN A 94 -12.942 1.175 2.748 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.728 0.688 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.806 2.861 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.437 2.600 0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -16.801 3.915 3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -16.996 2.450 2.608 1.00 0.00 H new ATOM 538 N GLU A 95 -14.758 0.277 -0.626 1.00 0.00 N ATOM 539 CA GLU A 95 -14.339 -0.222 -1.956 1.00 0.00 C ATOM 540 C GLU A 95 -12.918 0.239 -2.390 1.00 0.00 C ATOM 541 O GLU A 95 -12.152 -0.532 -2.955 1.00 0.00 O ATOM 542 CB GLU A 95 -15.411 0.262 -2.938 1.00 0.00 C ATOM 543 CG GLU A 95 -15.200 -0.059 -4.425 1.00 0.00 C ATOM 544 CD GLU A 95 -15.065 -1.554 -4.691 1.00 0.00 C ATOM 545 OE1 GLU A 95 -16.089 -2.255 -4.600 1.00 0.00 O ATOM 546 OE2 GLU A 95 -13.907 -1.964 -4.939 1.00 0.00 O ATOM 0 H GLU A 95 -15.699 0.669 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.260 -1.309 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.366 -0.166 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.499 1.344 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.039 0.334 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.304 0.451 -4.779 1.00 0.00 H new ATOM 547 N GLU A 96 -12.513 1.403 -1.884 1.00 0.00 N ATOM 548 CA GLU A 96 -11.232 2.056 -2.240 1.00 0.00 C ATOM 549 C GLU A 96 -10.058 1.602 -1.385 1.00 0.00 C ATOM 550 O GLU A 96 -8.885 1.690 -1.769 1.00 0.00 O ATOM 551 CB GLU A 96 -11.362 3.561 -2.048 1.00 0.00 C ATOM 552 CG GLU A 96 -12.081 4.245 -3.221 1.00 0.00 C ATOM 553 CD GLU A 96 -13.594 3.998 -3.245 1.00 0.00 C ATOM 554 OE1 GLU A 96 -14.241 4.317 -2.224 1.00 0.00 O ATOM 555 OE2 GLU A 96 -14.059 3.393 -4.236 1.00 0.00 O ATOM 0 H GLU A 96 -13.063 1.933 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.033 1.778 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.908 3.760 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.369 3.996 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.898 5.318 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.649 3.891 -4.157 1.00 0.00 H new ATOM 556 N CYS A 97 -10.430 1.323 -0.147 1.00 0.00 N ATOM 557 CA CYS A 97 -9.562 0.849 0.923 1.00 0.00 C ATOM 558 C CYS A 97 -9.166 -0.631 0.773 1.00 0.00 C ATOM 559 O CYS A 97 -8.325 -1.156 1.508 1.00 0.00 O ATOM 560 CB CYS A 97 -10.326 1.017 2.240 1.00 0.00 C ATOM 561 SG CYS A 97 -10.960 2.699 2.549 1.00 0.00 S ATOM 0 H CYS A 97 -11.398 1.426 0.157 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.640 1.429 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.165 0.321 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.669 0.735 3.063 1.00 0.00 H new ATOM 0 HG CYS A 97 -11.813 2.668 3.529 1.00 0.00 H new ATOM 562 N LEU A 98 -9.828 -1.287 -0.165 1.00 0.00 N ATOM 563 CA LEU A 98 -9.605 -2.702 -0.531 1.00 0.00 C ATOM 564 C LEU A 98 -8.463 -2.854 -1.526 1.00 0.00 C ATOM 565 O LEU A 98 -8.465 -2.332 -2.628 1.00 0.00 O ATOM 566 CB LEU A 98 -10.933 -3.239 -1.056 1.00 0.00 C ATOM 567 CG LEU A 98 -11.780 -3.603 0.150 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.263 -3.692 -0.235 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.330 -4.862 0.892 1.00 0.00 C ATOM 0 H LEU A 98 -10.563 -0.847 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.292 -3.285 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.436 -2.490 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.772 -4.111 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.635 -2.789 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.852 -3.954 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.597 -2.729 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.395 -4.456 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.994 -5.043 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.364 -5.715 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.311 -4.727 1.253 1.00 0.00 H new ATOM 570 N PHE A 99 -7.475 -3.568 -1.020 1.00 0.00 N ATOM 571 CA PHE A 99 -6.225 -3.840 -1.746 1.00 0.00 C ATOM 572 C PHE A 99 -5.970 -5.313 -2.005 1.00 0.00 C ATOM 573 O PHE A 99 -5.746 -6.119 -1.102 1.00 0.00 O ATOM 574 CB PHE A 99 -5.032 -3.239 -1.024 1.00 0.00 C ATOM 575 CG PHE A 99 -4.987 -1.706 -1.084 1.00 0.00 C ATOM 576 CD1 PHE A 99 -4.422 -1.119 -2.242 1.00 0.00 C ATOM 577 CD2 PHE A 99 -5.613 -0.927 -0.096 1.00 0.00 C ATOM 578 CE1 PHE A 99 -4.514 0.275 -2.421 1.00 0.00 C ATOM 579 CE2 PHE A 99 -5.710 0.474 -0.280 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.159 1.063 -1.442 1.00 0.00 C ATOM 0 H PHE A 99 -7.507 -3.983 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.352 -3.365 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.053 -3.553 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.116 -3.639 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.926 -1.733 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.015 -1.391 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.094 0.739 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.201 1.088 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.233 2.131 -1.583 1.00 0.00 H new ATOM 581 N LEU A 100 -6.146 -5.636 -3.266 1.00 0.00 N ATOM 582 CA LEU A 100 -6.025 -6.991 -3.810 1.00 0.00 C ATOM 583 C LEU A 100 -4.619 -7.588 -3.831 1.00 0.00 C ATOM 584 O LEU A 100 -3.793 -7.260 -4.673 1.00 0.00 O ATOM 585 CB LEU A 100 -6.645 -7.054 -5.209 1.00 0.00 C ATOM 586 CG LEU A 100 -7.680 -8.154 -5.152 1.00 0.00 C ATOM 587 CD1 LEU A 100 -8.897 -7.829 -6.024 1.00 0.00 C ATOM 588 CD2 LEU A 100 -7.140 -9.540 -5.504 1.00 0.00 C ATOM 0 H LEU A 100 -6.387 -4.945 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.574 -7.616 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.101 -6.101 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.888 -7.268 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.984 -8.195 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.620 -8.642 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.358 -6.905 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.580 -7.708 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.945 -10.272 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.741 -9.528 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.348 -9.810 -4.806 1.00 0.00 H new ATOM 589 N GLU A 101 -4.411 -8.435 -2.826 1.00 0.00 N ATOM 590 CA GLU A 101 -3.175 -9.223 -2.654 1.00 0.00 C ATOM 591 C GLU A 101 -2.826 -10.127 -3.839 1.00 0.00 C ATOM 592 O GLU A 101 -3.226 -11.283 -3.945 1.00 0.00 O ATOM 593 CB GLU A 101 -3.156 -10.052 -1.379 1.00 0.00 C ATOM 594 CG GLU A 101 -3.209 -9.202 -0.114 1.00 0.00 C ATOM 595 CD GLU A 101 -2.889 -10.003 1.149 1.00 0.00 C ATOM 596 OE1 GLU A 101 -3.833 -10.659 1.657 1.00 0.00 O ATOM 597 OE2 GLU A 101 -1.719 -9.926 1.604 1.00 0.00 O ATOM 0 H GLU A 101 -5.101 -8.602 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.409 -8.451 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.004 -10.737 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.253 -10.662 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.502 -8.378 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.201 -8.762 -0.018 1.00 0.00 H new ATOM 598 N ARG A 102 -1.911 -9.576 -4.617 1.00 0.00 N ATOM 599 CA ARG A 102 -1.277 -10.222 -5.770 1.00 0.00 C ATOM 600 C ARG A 102 0.179 -10.557 -5.397 1.00 0.00 C ATOM 601 O ARG A 102 1.134 -9.875 -5.755 1.00 0.00 O ATOM 602 CB ARG A 102 -1.333 -9.297 -6.989 1.00 0.00 C ATOM 603 CG ARG A 102 -2.739 -9.029 -7.514 1.00 0.00 C ATOM 604 CD ARG A 102 -3.401 -10.254 -8.146 1.00 0.00 C ATOM 605 NE ARG A 102 -4.695 -9.856 -8.724 1.00 0.00 N ATOM 606 CZ ARG A 102 -5.871 -10.463 -8.560 1.00 0.00 C ATOM 607 NH1 ARG A 102 -5.944 -11.703 -8.101 1.00 0.00 N ATOM 608 NH2 ARG A 102 -6.957 -9.928 -9.099 1.00 0.00 N ATOM 0 H ARG A 102 -1.570 -8.627 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.806 -11.140 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.868 -8.346 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.737 -9.735 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.362 -8.672 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.695 -8.229 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.757 -10.673 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.547 -11.032 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.692 -9.025 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.091 -12.211 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.853 -12.150 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.888 -9.061 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.862 -10.383 -8.981 1.00 0.00 H new ATOM 609 N LEU A 103 0.252 -11.413 -4.386 1.00 0.00 N ATOM 610 CA LEU A 103 1.530 -11.997 -3.939 1.00 0.00 C ATOM 611 C LEU A 103 2.025 -12.973 -5.013 1.00 0.00 C ATOM 612 O LEU A 103 1.386 -13.940 -5.414 1.00 0.00 O ATOM 613 CB LEU A 103 1.403 -12.616 -2.551 1.00 0.00 C ATOM 614 CG LEU A 103 2.775 -12.953 -1.924 1.00 0.00 C ATOM 615 CD1 LEU A 103 2.643 -13.004 -0.402 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.398 -14.253 -2.449 1.00 0.00 C ATOM 0 H LEU A 103 -0.558 -11.726 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 103 2.285 -11.219 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.868 -11.927 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.804 -13.524 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 103 3.457 -12.157 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.611 -13.242 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.304 -12.036 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.920 -13.771 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.358 -14.419 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.732 -15.089 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.547 -14.176 -3.526 1.00 0.00 H new ATOM 617 N GLU A 104 3.094 -12.465 -5.602 1.00 0.00 N ATOM 618 CA GLU A 104 3.742 -12.994 -6.807 1.00 0.00 C ATOM 619 C GLU A 104 4.722 -14.140 -6.512 1.00 0.00 C ATOM 620 O GLU A 104 5.267 -14.256 -5.419 1.00 0.00 O ATOM 621 CB GLU A 104 4.482 -11.807 -7.437 1.00 0.00 C ATOM 622 CG GLU A 104 3.541 -10.644 -7.791 1.00 0.00 C ATOM 623 CD GLU A 104 4.320 -9.350 -7.953 1.00 0.00 C ATOM 624 OE1 GLU A 104 4.778 -8.802 -6.932 1.00 0.00 O ATOM 625 OE2 GLU A 104 4.507 -8.962 -9.122 1.00 0.00 O ATOM 0 H GLU A 104 3.562 -11.633 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 104 2.993 -13.423 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.247 -11.453 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.996 -12.141 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.007 -10.870 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.791 -10.527 -7.009 1.00 0.00 H new ATOM 626 N GLU A 105 4.952 -14.942 -7.543 1.00 0.00 N ATOM 627 CA GLU A 105 5.935 -16.050 -7.570 1.00 0.00 C ATOM 628 C GLU A 105 7.332 -15.695 -7.013 1.00 0.00 C ATOM 629 O GLU A 105 7.974 -16.494 -6.343 1.00 0.00 O ATOM 630 CB GLU A 105 6.106 -16.561 -9.004 1.00 0.00 C ATOM 631 CG GLU A 105 4.865 -17.291 -9.511 1.00 0.00 C ATOM 632 CD GLU A 105 4.867 -17.343 -11.044 1.00 0.00 C ATOM 633 OE1 GLU A 105 4.564 -16.280 -11.629 1.00 0.00 O ATOM 634 OE2 GLU A 105 5.195 -18.416 -11.583 1.00 0.00 O ATOM 0 H GLU A 105 4.447 -14.846 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 105 5.519 -16.812 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.325 -15.721 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.963 -17.233 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.839 -18.303 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.967 -16.784 -9.159 1.00 0.00 H new ATOM 635 N ASN A 106 7.720 -14.430 -7.212 1.00 0.00 N ATOM 636 CA ASN A 106 9.014 -13.866 -6.777 1.00 0.00 C ATOM 637 C ASN A 106 8.977 -13.318 -5.330 1.00 0.00 C ATOM 638 O ASN A 106 9.707 -12.382 -4.988 1.00 0.00 O ATOM 639 CB ASN A 106 9.401 -12.770 -7.785 1.00 0.00 C ATOM 640 CG ASN A 106 8.300 -11.725 -7.974 1.00 0.00 C ATOM 641 OD1 ASN A 106 7.577 -11.353 -7.065 1.00 0.00 O ATOM 642 ND2 ASN A 106 8.027 -11.379 -9.208 1.00 0.00 N ATOM 0 H ASN A 106 7.132 -13.749 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 106 9.763 -14.657 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.311 -12.275 -7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.628 -13.230 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.211 -10.800 -9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.630 -11.689 -9.970 1.00 0.00 H new ATOM 643 N HIS A 107 8.143 -13.948 -4.506 1.00 0.00 N ATOM 644 CA HIS A 107 7.818 -13.639 -3.101 1.00 0.00 C ATOM 645 C HIS A 107 7.047 -12.321 -2.889 1.00 0.00 C ATOM 646 O HIS A 107 6.158 -12.235 -2.034 1.00 0.00 O ATOM 647 CB HIS A 107 9.102 -13.683 -2.282 1.00 0.00 C ATOM 648 CG HIS A 107 8.938 -13.602 -0.758 1.00 0.00 C ATOM 649 ND1 HIS A 107 7.814 -13.359 -0.087 1.00 0.00 N ATOM 650 CD2 HIS A 107 9.939 -13.540 0.104 1.00 0.00 C ATOM 651 CE1 HIS A 107 8.124 -13.117 1.183 1.00 0.00 C ATOM 652 NE2 HIS A 107 9.433 -13.229 1.293 1.00 0.00 N ATOM 0 H HIS A 107 7.625 -14.766 -4.828 1.00 0.00 H new ATOM 0 HA HIS A 107 7.121 -14.403 -2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.629 -14.607 -2.521 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.741 -12.860 -2.602 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.873 -13.359 -0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.982 -13.712 -0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.433 -12.874 1.976 1.00 0.00 H new ATOM 653 N TYR A 108 7.408 -11.314 -3.667 1.00 0.00 N ATOM 654 CA TYR A 108 6.831 -9.957 -3.629 1.00 0.00 C ATOM 655 C TYR A 108 5.310 -9.908 -3.542 1.00 0.00 C ATOM 656 O TYR A 108 4.565 -10.436 -4.368 1.00 0.00 O ATOM 657 CB TYR A 108 7.288 -9.129 -4.835 1.00 0.00 C ATOM 658 CG TYR A 108 8.708 -8.640 -4.626 1.00 0.00 C ATOM 659 CD1 TYR A 108 8.901 -7.592 -3.708 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.792 -9.335 -5.214 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.215 -7.236 -3.351 1.00 0.00 C ATOM 662 CE2 TYR A 108 11.097 -8.984 -4.855 1.00 0.00 C ATOM 663 CZ TYR A 108 11.294 -7.938 -3.923 1.00 0.00 C ATOM 664 OH TYR A 108 12.545 -7.543 -3.586 1.00 0.00 O ATOM 0 H TYR A 108 8.138 -11.411 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 108 7.210 -9.530 -2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.233 -9.732 -5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.620 -8.279 -4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.056 -7.070 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.614 -10.124 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.394 -6.436 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.942 -9.503 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 108 12.498 -6.706 -3.078 1.00 0.00 H new ATOM 665 N ASN A 109 4.928 -8.999 -2.667 1.00 0.00 N ATOM 666 CA ASN A 109 3.506 -8.798 -2.358 1.00 0.00 C ATOM 667 C ASN A 109 3.068 -7.429 -2.847 1.00 0.00 C ATOM 668 O ASN A 109 3.537 -6.372 -2.420 1.00 0.00 O ATOM 669 CB ASN A 109 3.222 -8.934 -0.861 1.00 0.00 C ATOM 670 CG ASN A 109 1.744 -9.206 -0.564 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.844 -9.113 -1.392 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.491 -9.584 0.669 1.00 0.00 N ATOM 0 H ASN A 109 5.566 -8.389 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 109 2.939 -9.575 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.826 -9.744 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.529 -8.020 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.535 -9.805 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.250 -9.657 1.346 1.00 0.00 H new ATOM 673 N THR A 110 2.057 -7.528 -3.691 1.00 0.00 N ATOM 674 CA THR A 110 1.535 -6.355 -4.398 1.00 0.00 C ATOM 675 C THR A 110 0.013 -6.291 -4.330 1.00 0.00 C ATOM 676 O THR A 110 -0.650 -7.277 -3.985 1.00 0.00 O ATOM 677 CB THR A 110 2.013 -6.233 -5.855 1.00 0.00 C ATOM 678 OG1 THR A 110 1.550 -7.342 -6.634 1.00 0.00 O ATOM 679 CG2 THR A 110 3.532 -6.083 -5.938 1.00 0.00 C ATOM 0 H THR A 110 1.577 -8.402 -3.908 1.00 0.00 H new ATOM 0 HA THR A 110 1.953 -5.499 -3.868 1.00 0.00 H new ATOM 0 HB THR A 110 1.581 -5.325 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.476 -8.135 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.833 -6.000 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.839 -5.187 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.009 -6.956 -5.492 1.00 0.00 H new ATOM 680 N TYR A 111 -0.510 -5.101 -4.573 1.00 0.00 N ATOM 681 CA TYR A 111 -1.921 -4.795 -4.309 1.00 0.00 C ATOM 682 C TYR A 111 -2.526 -3.975 -5.446 1.00 0.00 C ATOM 683 O TYR A 111 -1.959 -2.969 -5.865 1.00 0.00 O ATOM 684 CB TYR A 111 -2.051 -4.001 -3.003 1.00 0.00 C ATOM 685 CG TYR A 111 -1.399 -4.704 -1.807 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.119 -5.696 -1.121 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.096 -4.321 -1.420 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.517 -6.324 -0.010 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.505 -4.949 -0.310 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.229 -5.934 0.382 1.00 0.00 C ATOM 691 OH TYR A 111 0.300 -6.453 1.524 1.00 0.00 O ATOM 0 H TYR A 111 0.021 -4.319 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.458 -5.740 -4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.594 -3.020 -3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.107 -3.835 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.114 -5.973 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.434 -3.556 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.043 -7.096 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.504 -4.682 0.003 1.00 0.00 H new ATOM 0 HH TYR A 111 1.199 -6.089 1.663 1.00 0.00 H new ATOM 692 N ILE A 112 -3.621 -4.511 -5.991 1.00 0.00 N ATOM 693 CA ILE A 112 -4.466 -3.747 -6.929 1.00 0.00 C ATOM 694 C ILE A 112 -5.642 -3.239 -6.103 1.00 0.00 C ATOM 695 O ILE A 112 -6.378 -4.013 -5.494 1.00 0.00 O ATOM 696 CB ILE A 112 -5.059 -4.560 -8.091 1.00 0.00 C ATOM 697 CG1 ILE A 112 -4.055 -5.523 -8.717 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.577 -3.572 -9.157 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.705 -6.591 -9.608 1.00 0.00 C ATOM 0 H ILE A 112 -3.946 -5.460 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.838 -2.980 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.868 -5.175 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.338 -4.954 -9.309 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.493 -6.016 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.003 -4.128 -9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.343 -2.933 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.751 -2.956 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.933 -7.241 -10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.401 -7.185 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.244 -6.107 -10.422 1.00 0.00 H new ATOM 700 N SER A 113 -5.753 -1.918 -6.036 1.00 0.00 N ATOM 701 CA SER A 113 -6.921 -1.327 -5.346 1.00 0.00 C ATOM 702 C SER A 113 -8.206 -1.722 -6.083 1.00 0.00 C ATOM 703 O SER A 113 -8.396 -1.395 -7.246 1.00 0.00 O ATOM 704 CB SER A 113 -6.856 0.200 -5.249 1.00 0.00 C ATOM 705 OG SER A 113 -7.988 0.682 -4.528 1.00 0.00 O ATOM 0 H SER A 113 -5.088 -1.251 -6.428 1.00 0.00 H new ATOM 0 HA SER A 113 -6.914 -1.718 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.937 0.504 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.835 0.637 -6.247 1.00 0.00 H new ATOM 0 HG SER A 113 -7.731 0.866 -3.600 1.00 0.00 H new ATOM 706 N LYS A 114 -8.971 -2.537 -5.376 1.00 0.00 N ATOM 707 CA LYS A 114 -10.195 -3.213 -5.864 1.00 0.00 C ATOM 708 C LYS A 114 -11.066 -2.299 -6.763 1.00 0.00 C ATOM 709 O LYS A 114 -11.415 -2.664 -7.879 1.00 0.00 O ATOM 710 CB LYS A 114 -11.004 -3.702 -4.674 1.00 0.00 C ATOM 711 CG LYS A 114 -12.176 -4.580 -5.099 1.00 0.00 C ATOM 712 CD LYS A 114 -13.059 -4.888 -3.896 1.00 0.00 C ATOM 713 CE LYS A 114 -14.317 -5.656 -4.293 1.00 0.00 C ATOM 714 NZ LYS A 114 -13.962 -6.971 -4.843 1.00 0.00 N ATOM 0 H LYS A 114 -8.761 -2.765 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.884 -4.055 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.356 -4.264 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.378 -2.845 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.759 -4.075 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.806 -5.508 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.492 -5.471 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.342 -3.956 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.964 -5.781 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.881 -5.086 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.827 -7.527 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.464 -6.846 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.343 -7.472 -4.174 1.00 0.00 H new ATOM 715 N LYS A 115 -11.266 -1.080 -6.272 1.00 0.00 N ATOM 716 CA LYS A 115 -11.872 0.085 -6.942 1.00 0.00 C ATOM 717 C LYS A 115 -11.627 0.142 -8.472 1.00 0.00 C ATOM 718 O LYS A 115 -12.538 0.400 -9.254 1.00 0.00 O ATOM 719 CB LYS A 115 -11.219 1.247 -6.184 1.00 0.00 C ATOM 720 CG LYS A 115 -11.162 2.603 -6.872 1.00 0.00 C ATOM 721 CD LYS A 115 -10.087 3.400 -6.129 1.00 0.00 C ATOM 722 CE LYS A 115 -9.725 4.696 -6.837 1.00 0.00 C ATOM 723 NZ LYS A 115 -8.886 4.357 -7.988 1.00 0.00 N ATOM 0 H LYS A 115 -10.988 -0.854 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.961 0.080 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.751 1.372 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.199 0.954 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -10.911 2.496 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.127 3.107 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.439 3.626 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.193 2.786 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.625 5.219 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.194 5.365 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.056 5.039 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.885 4.392 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.121 3.399 -8.318 1.00 0.00 H new ATOM 724 N HIS A 116 -10.357 -0.004 -8.848 1.00 0.00 N ATOM 725 CA HIS A 116 -9.913 0.015 -10.253 1.00 0.00 C ATOM 726 C HIS A 116 -9.158 -1.246 -10.696 1.00 0.00 C ATOM 727 O HIS A 116 -8.326 -1.219 -11.613 1.00 0.00 O ATOM 728 CB HIS A 116 -9.096 1.295 -10.517 1.00 0.00 C ATOM 729 CG HIS A 116 -9.945 2.564 -10.649 1.00 0.00 C ATOM 730 ND1 HIS A 116 -11.269 2.683 -10.545 1.00 0.00 N ATOM 731 CD2 HIS A 116 -9.471 3.770 -10.964 1.00 0.00 C ATOM 732 CE1 HIS A 116 -11.606 3.944 -10.761 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.488 4.615 -11.039 1.00 0.00 N ATOM 0 H HIS A 116 -9.595 -0.141 -8.184 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.812 0.020 -10.869 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.382 1.431 -9.705 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.517 1.162 -11.431 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -11.917 1.924 -10.333 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.433 4.016 -11.130 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.604 4.355 -10.720 1.00 0.00 H new ATOM 734 N ALA A 117 -9.696 -2.392 -10.264 1.00 0.00 N ATOM 735 CA ALA A 117 -9.148 -3.738 -10.567 1.00 0.00 C ATOM 736 C ALA A 117 -9.201 -4.185 -12.040 1.00 0.00 C ATOM 737 O ALA A 117 -8.504 -5.106 -12.439 1.00 0.00 O ATOM 738 CB ALA A 117 -9.842 -4.772 -9.679 1.00 0.00 C ATOM 0 H ALA A 117 -10.536 -2.421 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.082 -3.664 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.444 -5.763 -9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.663 -4.531 -8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.914 -4.760 -9.876 1.00 0.00 H new ATOM 739 N GLU A 118 -9.879 -3.389 -12.863 1.00 0.00 N ATOM 740 CA GLU A 118 -10.007 -3.650 -14.313 1.00 0.00 C ATOM 741 C GLU A 118 -9.060 -2.809 -15.178 1.00 0.00 C ATOM 742 O GLU A 118 -8.585 -3.242 -16.222 1.00 0.00 O ATOM 743 CB GLU A 118 -11.474 -3.580 -14.795 1.00 0.00 C ATOM 744 CG GLU A 118 -12.165 -2.201 -14.789 1.00 0.00 C ATOM 745 CD GLU A 118 -12.297 -1.590 -13.393 1.00 0.00 C ATOM 746 OE1 GLU A 118 -13.189 -2.032 -12.648 1.00 0.00 O ATOM 747 OE2 GLU A 118 -11.400 -0.793 -13.062 1.00 0.00 O ATOM 0 H GLU A 118 -10.358 -2.543 -12.554 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.679 -4.680 -14.453 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.512 -3.970 -15.812 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.064 -4.254 -14.173 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.601 -1.518 -15.424 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.157 -2.299 -15.229 1.00 0.00 H new ATOM 748 N LYS A 119 -8.674 -1.684 -14.583 1.00 0.00 N ATOM 749 CA LYS A 119 -7.615 -0.759 -15.048 1.00 0.00 C ATOM 750 C LYS A 119 -6.231 -1.183 -14.521 1.00 0.00 C ATOM 751 O LYS A 119 -5.214 -0.619 -14.930 1.00 0.00 O ATOM 752 CB LYS A 119 -7.996 0.613 -14.511 1.00 0.00 C ATOM 753 CG LYS A 119 -9.290 1.157 -15.124 1.00 0.00 C ATOM 754 CD LYS A 119 -9.557 2.592 -14.661 1.00 0.00 C ATOM 755 CE LYS A 119 -8.666 3.605 -15.377 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.955 4.930 -14.822 1.00 0.00 N ATOM 0 H LYS A 119 -9.107 -1.365 -13.716 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.543 -0.761 -16.136 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.110 0.555 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.184 1.313 -14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.221 1.129 -16.211 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.127 0.518 -14.841 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.603 2.841 -14.840 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.392 2.662 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.614 3.354 -15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.858 3.591 -16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.360 5.641 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.957 5.160 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.753 4.931 -13.802 1.00 0.00 H new ATOM 757 N ASN A 120 -6.220 -2.281 -13.757 1.00 0.00 N ATOM 758 CA ASN A 120 -5.059 -2.823 -13.017 1.00 0.00 C ATOM 759 C ASN A 120 -4.206 -1.769 -12.303 1.00 0.00 C ATOM 760 O ASN A 120 -2.977 -1.786 -12.319 1.00 0.00 O ATOM 761 CB ASN A 120 -4.264 -3.755 -13.914 1.00 0.00 C ATOM 762 CG ASN A 120 -5.138 -4.952 -14.296 1.00 0.00 C ATOM 763 OD1 ASN A 120 -5.219 -5.958 -13.610 1.00 0.00 O ATOM 764 ND2 ASN A 120 -5.865 -4.807 -15.379 1.00 0.00 N ATOM 0 H ASN A 120 -7.058 -2.848 -13.627 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.452 -3.408 -12.186 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.938 -3.227 -14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -3.365 -4.095 -13.400 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.513 -5.543 -15.661 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.782 -3.958 -15.939 1.00 0.00 H new ATOM 765 N TRP A 121 -4.935 -0.890 -11.620 1.00 0.00 N ATOM 766 CA TRP A 121 -4.360 0.170 -10.783 1.00 0.00 C ATOM 767 C TRP A 121 -3.763 -0.378 -9.487 1.00 0.00 C ATOM 768 O TRP A 121 -4.421 -0.602 -8.466 1.00 0.00 O ATOM 769 CB TRP A 121 -5.440 1.224 -10.545 1.00 0.00 C ATOM 770 CG TRP A 121 -5.563 2.243 -11.678 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.307 2.098 -12.977 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.821 3.581 -11.449 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.374 3.290 -13.584 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.683 4.220 -12.695 1.00 0.00 C ATOM 775 CE3 TRP A 121 -6.051 4.327 -10.272 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -5.737 5.615 -12.788 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.190 5.722 -10.378 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.056 6.368 -11.629 1.00 0.00 C ATOM 0 H TRP A 121 -5.955 -0.890 -11.630 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.519 0.634 -11.298 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.400 0.725 -10.411 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.223 1.751 -9.616 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.080 1.162 -13.466 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.212 3.455 -14.577 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -6.119 3.837 -9.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.539 6.110 -13.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.401 6.307 -9.495 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.197 7.436 -11.702 1.00 0.00 H new ATOM 779 N PHE A 122 -2.469 -0.635 -9.635 1.00 0.00 N ATOM 780 CA PHE A 122 -1.626 -1.253 -8.605 1.00 0.00 C ATOM 781 C PHE A 122 -0.966 -0.200 -7.704 1.00 0.00 C ATOM 782 O PHE A 122 -1.133 1.005 -7.894 1.00 0.00 O ATOM 783 CB PHE A 122 -0.533 -2.075 -9.306 1.00 0.00 C ATOM 784 CG PHE A 122 -0.836 -3.565 -9.487 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.380 -4.475 -8.510 1.00 0.00 C ATOM 786 CD2 PHE A 122 -1.232 -4.014 -10.761 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.290 -5.853 -8.826 1.00 0.00 C ATOM 788 CE2 PHE A 122 -1.145 -5.390 -11.090 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.659 -6.292 -10.112 1.00 0.00 C ATOM 0 H PHE A 122 -1.960 -0.417 -10.492 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.252 -1.885 -7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.349 -1.639 -10.288 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.391 -1.978 -8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.101 -4.123 -7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.603 -3.308 -11.490 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.058 -6.560 -8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.443 -5.743 -12.066 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.569 -7.340 -10.358 1.00 0.00 H new ATOM 790 N VAL A 123 -0.155 -0.696 -6.771 1.00 0.00 N ATOM 791 CA VAL A 123 0.586 0.162 -5.828 1.00 0.00 C ATOM 792 C VAL A 123 2.095 0.187 -6.063 1.00 0.00 C ATOM 793 O VAL A 123 2.737 -0.847 -6.155 1.00 0.00 O ATOM 794 CB VAL A 123 0.276 -0.214 -4.364 1.00 0.00 C ATOM 795 CG1 VAL A 123 -1.182 0.137 -4.006 1.00 0.00 C ATOM 796 CG2 VAL A 123 0.602 -1.669 -4.007 1.00 0.00 C ATOM 0 H VAL A 123 0.011 -1.694 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 123 0.230 1.174 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 123 0.948 0.389 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -1.378 -0.137 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -1.341 1.208 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -1.859 -0.411 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.355 -1.851 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.019 -2.338 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.664 -1.853 -4.166 1.00 0.00 H new ATOM 797 N GLY A 124 2.597 1.420 -6.122 1.00 0.00 N ATOM 798 CA GLY A 124 4.014 1.716 -6.338 1.00 0.00 C ATOM 799 C GLY A 124 4.287 3.193 -6.039 1.00 0.00 C ATOM 800 O GLY A 124 3.498 4.070 -6.395 1.00 0.00 O ATOM 0 H GLY A 124 2.021 2.256 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.629 1.086 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.290 1.487 -7.367 1.00 0.00 H new ATOM 801 N LEU A 125 5.360 3.393 -5.299 1.00 0.00 N ATOM 802 CA LEU A 125 5.755 4.739 -4.826 1.00 0.00 C ATOM 803 C LEU A 125 6.471 5.607 -5.837 1.00 0.00 C ATOM 804 O LEU A 125 7.517 5.255 -6.379 1.00 0.00 O ATOM 805 CB LEU A 125 6.644 4.572 -3.577 1.00 0.00 C ATOM 806 CG LEU A 125 5.822 4.235 -2.335 1.00 0.00 C ATOM 807 CD1 LEU A 125 6.641 3.387 -1.366 1.00 0.00 C ATOM 808 CD2 LEU A 125 5.377 5.522 -1.647 1.00 0.00 C ATOM 0 H LEU A 125 5.988 2.646 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 125 4.825 5.266 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.375 3.783 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.203 5.491 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 125 4.944 3.665 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.040 3.156 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.938 2.460 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.531 3.939 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.791 5.277 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.254 6.100 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.768 6.110 -2.334 1.00 0.00 H new ATOM 809 N LYS A 126 5.963 6.835 -5.855 1.00 0.00 N ATOM 810 CA LYS A 126 6.535 7.947 -6.622 1.00 0.00 C ATOM 811 C LYS A 126 7.954 8.235 -6.104 1.00 0.00 C ATOM 812 O LYS A 126 8.187 8.237 -4.897 1.00 0.00 O ATOM 813 CB LYS A 126 5.597 9.145 -6.428 1.00 0.00 C ATOM 814 CG LYS A 126 6.087 10.363 -7.222 1.00 0.00 C ATOM 815 CD LYS A 126 5.499 11.665 -6.692 1.00 0.00 C ATOM 816 CE LYS A 126 5.999 12.806 -7.568 1.00 0.00 C ATOM 817 NZ LYS A 126 5.587 14.088 -6.986 1.00 0.00 N ATOM 0 H LYS A 126 5.128 7.095 -5.330 1.00 0.00 H new ATOM 0 HA LYS A 126 6.620 7.720 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.590 8.878 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.538 9.397 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.175 10.412 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.817 10.244 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.410 11.624 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.798 11.823 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.085 12.765 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.598 12.707 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.929 14.867 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.549 14.125 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.991 14.182 -6.032 1.00 0.00 H new ATOM 818 N LYS A 127 8.807 8.628 -7.047 1.00 0.00 N ATOM 819 CA LYS A 127 10.233 8.930 -6.848 1.00 0.00 C ATOM 820 C LYS A 127 10.544 9.748 -5.586 1.00 0.00 C ATOM 821 O LYS A 127 11.348 9.353 -4.745 1.00 0.00 O ATOM 822 CB LYS A 127 10.732 9.655 -8.106 1.00 0.00 C ATOM 823 CG LYS A 127 12.240 9.909 -8.087 1.00 0.00 C ATOM 824 CD LYS A 127 12.677 10.725 -9.312 1.00 0.00 C ATOM 825 CE LYS A 127 14.170 11.044 -9.285 1.00 0.00 C ATOM 826 NZ LYS A 127 14.993 9.837 -9.493 1.00 0.00 N ATOM 0 H LYS A 127 8.515 8.752 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 127 10.755 7.986 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 127 10.479 9.062 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.209 10.607 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 127 12.511 10.442 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.772 8.958 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.441 10.170 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.109 11.654 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.399 11.777 -10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 127 14.427 11.499 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 15.998 10.102 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.831 9.168 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 14.730 9.389 -10.394 1.00 0.00 H new ATOM 827 N ASN A 128 9.730 10.780 -5.395 1.00 0.00 N ATOM 828 CA ASN A 128 9.809 11.756 -4.294 1.00 0.00 C ATOM 829 C ASN A 128 9.365 11.230 -2.907 1.00 0.00 C ATOM 830 O ASN A 128 9.211 12.000 -1.962 1.00 0.00 O ATOM 831 CB ASN A 128 8.955 12.953 -4.712 1.00 0.00 C ATOM 832 CG ASN A 128 9.453 13.635 -5.991 1.00 0.00 C ATOM 833 OD1 ASN A 128 9.357 13.112 -7.093 1.00 0.00 O ATOM 834 ND2 ASN A 128 9.972 14.835 -5.867 1.00 0.00 N ATOM 0 H ASN A 128 8.956 10.976 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 128 10.858 12.012 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 128 7.927 12.623 -4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.941 13.682 -3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 128 10.298 15.337 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 128 10.049 15.265 -4.945 1.00 0.00 H new ATOM 835 N GLY A 129 9.208 9.909 -2.811 1.00 0.00 N ATOM 836 CA GLY A 129 8.752 9.197 -1.600 1.00 0.00 C ATOM 837 C GLY A 129 7.280 9.469 -1.258 1.00 0.00 C ATOM 838 O GLY A 129 6.948 9.665 -0.093 1.00 0.00 O ATOM 0 H GLY A 129 9.398 9.280 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.894 8.126 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.375 9.493 -0.756 1.00 0.00 H new ATOM 839 N SER A 130 6.399 9.240 -2.227 1.00 0.00 N ATOM 840 CA SER A 130 4.963 9.535 -2.078 1.00 0.00 C ATOM 841 C SER A 130 4.100 8.442 -2.713 1.00 0.00 C ATOM 842 O SER A 130 4.488 7.836 -3.710 1.00 0.00 O ATOM 843 CB SER A 130 4.633 10.866 -2.759 1.00 0.00 C ATOM 844 OG SER A 130 3.332 11.276 -2.315 1.00 0.00 O ATOM 0 H SER A 130 6.650 8.848 -3.135 1.00 0.00 H new ATOM 0 HA SER A 130 4.746 9.585 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.378 11.620 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.649 10.754 -3.843 1.00 0.00 H new ATOM 0 HG SER A 130 3.096 12.129 -2.736 1.00 0.00 H new ATOM 845 N CYS A 131 2.967 8.165 -2.089 1.00 0.00 N ATOM 846 CA CYS A 131 2.016 7.157 -2.590 1.00 0.00 C ATOM 847 C CYS A 131 1.090 7.700 -3.685 1.00 0.00 C ATOM 848 O CYS A 131 -0.115 7.906 -3.539 1.00 0.00 O ATOM 849 CB CYS A 131 1.203 6.541 -1.458 1.00 0.00 C ATOM 850 SG CYS A 131 2.175 5.464 -0.347 1.00 0.00 S ATOM 0 H CYS A 131 2.672 8.623 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 131 2.623 6.375 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.753 7.341 -0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.385 5.961 -1.885 1.00 0.00 H new ATOM 0 HG CYS A 131 1.373 4.672 0.301 1.00 0.00 H new ATOM 851 N LYS A 132 1.795 7.860 -4.789 1.00 0.00 N ATOM 852 CA LYS A 132 1.330 8.303 -6.110 1.00 0.00 C ATOM 853 C LYS A 132 1.646 7.148 -7.067 1.00 0.00 C ATOM 854 O LYS A 132 2.804 6.758 -7.245 1.00 0.00 O ATOM 855 CB LYS A 132 2.039 9.611 -6.488 1.00 0.00 C ATOM 856 CG LYS A 132 1.541 10.332 -7.760 1.00 0.00 C ATOM 857 CD LYS A 132 1.714 9.596 -9.091 1.00 0.00 C ATOM 858 CE LYS A 132 3.143 9.121 -9.373 1.00 0.00 C ATOM 859 NZ LYS A 132 3.154 8.311 -10.597 1.00 0.00 N ATOM 0 H LYS A 132 2.797 7.669 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 132 0.263 8.523 -6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.948 10.301 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.101 9.398 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 132 0.481 10.553 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 132 2.060 11.288 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 132 1.049 8.733 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 132 1.397 10.255 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 132 3.808 9.978 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 132 3.516 8.535 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 4.123 7.987 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 2.532 7.487 -10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 2.815 8.884 -11.396 1.00 0.00 H new ATOM 860 N ARG A 133 0.575 6.435 -7.359 1.00 0.00 N ATOM 861 CA ARG A 133 0.524 5.290 -8.280 1.00 0.00 C ATOM 862 C ARG A 133 -0.270 5.541 -9.572 1.00 0.00 C ATOM 863 O ARG A 133 0.289 5.862 -10.617 1.00 0.00 O ATOM 864 CB ARG A 133 0.119 3.990 -7.554 1.00 0.00 C ATOM 865 CG ARG A 133 -0.816 4.025 -6.331 1.00 0.00 C ATOM 866 CD ARG A 133 -0.049 4.498 -5.089 1.00 0.00 C ATOM 867 NE ARG A 133 0.164 3.421 -4.117 1.00 0.00 N ATOM 868 CZ ARG A 133 1.211 3.297 -3.305 1.00 0.00 C ATOM 869 NH1 ARG A 133 2.393 3.844 -3.585 1.00 0.00 N ATOM 870 NH2 ARG A 133 1.172 2.422 -2.326 1.00 0.00 N ATOM 0 H ARG A 133 -0.334 6.640 -6.945 1.00 0.00 H new ATOM 0 HA ARG A 133 1.546 5.153 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -0.349 3.342 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 133 1.040 3.500 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.655 4.693 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.232 3.033 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.916 4.904 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.600 5.309 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.556 2.701 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.517 4.378 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 133 3.174 3.729 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 133 0.343 1.843 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.971 2.321 -1.700 1.00 0.00 H new ATOM 871 N GLY A 134 -1.588 5.365 -9.452 1.00 0.00 N ATOM 872 CA GLY A 134 -2.596 5.548 -10.510 1.00 0.00 C ATOM 873 C GLY A 134 -2.405 4.623 -11.721 1.00 0.00 C ATOM 874 O GLY A 134 -2.416 3.412 -11.557 1.00 0.00 O ATOM 0 H GLY A 134 -2.008 5.075 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.586 5.377 -10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.568 6.584 -10.849 1.00 0.00 H new ATOM 875 N PRO A 135 -2.299 5.212 -12.923 1.00 0.00 N ATOM 876 CA PRO A 135 -2.323 4.437 -14.161 1.00 0.00 C ATOM 877 C PRO A 135 -0.947 3.950 -14.653 1.00 0.00 C ATOM 878 O PRO A 135 -0.855 3.325 -15.713 1.00 0.00 O ATOM 879 CB PRO A 135 -3.010 5.343 -15.186 1.00 0.00 C ATOM 880 CG PRO A 135 -2.806 6.762 -14.670 1.00 0.00 C ATOM 881 CD PRO A 135 -2.302 6.660 -13.221 1.00 0.00 C ATOM 0 HA PRO A 135 -2.858 3.502 -13.997 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.573 5.218 -16.177 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.070 5.105 -15.273 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -2.085 7.295 -15.290 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.740 7.323 -14.712 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.304 7.087 -13.118 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -2.953 7.203 -12.536 1.00 0.00 H new ATOM 882 N ARG A 136 0.110 4.338 -13.952 1.00 0.00 N ATOM 883 CA ARG A 136 1.487 3.912 -14.293 1.00 0.00 C ATOM 884 C ARG A 136 1.982 2.656 -13.556 1.00 0.00 C ATOM 885 O ARG A 136 2.978 2.042 -13.949 1.00 0.00 O ATOM 886 CB ARG A 136 2.444 5.102 -14.135 1.00 0.00 C ATOM 887 CG ARG A 136 2.755 5.544 -12.698 1.00 0.00 C ATOM 888 CD ARG A 136 4.086 4.957 -12.228 1.00 0.00 C ATOM 889 NE ARG A 136 4.283 5.254 -10.798 1.00 0.00 N ATOM 890 CZ ARG A 136 5.428 5.126 -10.118 1.00 0.00 C ATOM 891 NH1 ARG A 136 6.513 4.553 -10.611 1.00 0.00 N ATOM 892 NH2 ARG A 136 5.437 5.421 -8.823 1.00 0.00 N ATOM 0 H ARG A 136 0.053 4.950 -13.138 1.00 0.00 H new ATOM 0 HA ARG A 136 1.467 3.596 -15.336 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.384 4.851 -14.626 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.022 5.953 -14.670 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.794 6.632 -12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.954 5.222 -12.032 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.097 3.879 -12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.905 5.375 -12.812 1.00 0.00 H new ATOM 0 HE ARG A 136 3.471 5.588 -10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.506 4.179 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 136 7.357 4.485 -10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.582 5.738 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.299 5.331 -8.285 1.00 0.00 H new ATOM 893 N THR A 137 1.296 2.321 -12.478 1.00 0.00 N ATOM 894 CA THR A 137 1.631 1.195 -11.586 1.00 0.00 C ATOM 895 C THR A 137 0.902 -0.086 -11.978 1.00 0.00 C ATOM 896 O THR A 137 -0.303 -0.243 -11.827 1.00 0.00 O ATOM 897 CB THR A 137 1.274 1.512 -10.133 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.015 2.135 -10.095 1.00 0.00 O ATOM 899 CG2 THR A 137 2.348 2.353 -9.449 1.00 0.00 C ATOM 0 H THR A 137 0.465 2.831 -12.179 1.00 0.00 H new ATOM 0 HA THR A 137 2.706 1.045 -11.687 1.00 0.00 H new ATOM 0 HB THR A 137 1.230 0.582 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.560 1.717 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 137 2.052 2.554 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.294 1.811 -9.456 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.467 3.296 -9.983 1.00 0.00 H new ATOM 900 N HIS A 138 1.713 -0.971 -12.552 1.00 0.00 N ATOM 901 CA HIS A 138 1.332 -2.336 -12.943 1.00 0.00 C ATOM 902 C HIS A 138 2.588 -3.194 -13.040 1.00 0.00 C ATOM 903 O HIS A 138 3.679 -2.828 -12.575 1.00 0.00 O ATOM 904 CB HIS A 138 0.476 -2.345 -14.216 1.00 0.00 C ATOM 905 CG HIS A 138 0.946 -1.370 -15.305 1.00 0.00 C ATOM 906 ND1 HIS A 138 0.311 -0.259 -15.649 1.00 0.00 N flip ATOM 907 CD2 HIS A 138 2.091 -1.420 -15.987 1.00 0.00 C flip ATOM 908 CE1 HIS A 138 1.065 0.392 -16.521 1.00 0.00 C flip ATOM 909 NE2 HIS A 138 2.165 -0.322 -16.737 1.00 0.00 N flip ATOM 0 H HIS A 138 2.687 -0.756 -12.767 1.00 0.00 H new ATOM 0 HA HIS A 138 0.692 -2.775 -12.178 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.470 -3.354 -14.628 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.553 -2.103 -13.949 1.00 0.00 H new ATOM 0 HD2 HIS A 138 2.826 -2.209 -15.940 1.00 0.00 H new ATOM 0 HE1 HIS A 138 0.827 1.341 -16.979 1.00 0.00 H new ATOM 0 HE2 HIS A 138 2.929 -0.073 -17.365 1.00 0.00 H new ATOM 910 N TYR A 139 2.336 -4.420 -13.429 1.00 0.00 N ATOM 911 CA TYR A 139 3.363 -5.456 -13.501 1.00 0.00 C ATOM 912 C TYR A 139 4.142 -5.398 -14.814 1.00 0.00 C ATOM 913 O TYR A 139 3.631 -5.145 -15.908 1.00 0.00 O ATOM 914 CB TYR A 139 2.681 -6.785 -13.245 1.00 0.00 C ATOM 915 CG TYR A 139 3.664 -7.922 -12.898 1.00 0.00 C ATOM 916 CD1 TYR A 139 4.711 -7.708 -11.985 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.494 -9.148 -13.562 1.00 0.00 C ATOM 918 CE1 TYR A 139 5.637 -8.742 -11.739 1.00 0.00 C ATOM 919 CE2 TYR A 139 4.399 -10.200 -13.298 1.00 0.00 C ATOM 920 CZ TYR A 139 5.455 -9.981 -12.386 1.00 0.00 C ATOM 921 OH TYR A 139 6.336 -10.974 -12.113 1.00 0.00 O ATOM 0 H TYR A 139 1.409 -4.739 -13.709 1.00 0.00 H new ATOM 0 HA TYR A 139 4.127 -5.302 -12.739 1.00 0.00 H new ATOM 0 HB2 TYR A 139 1.969 -6.668 -12.428 1.00 0.00 H new ATOM 0 HB3 TYR A 139 2.108 -7.067 -14.128 1.00 0.00 H new ATOM 0 HD1 TYR A 139 4.805 -6.760 -11.476 1.00 0.00 H new ATOM 0 HD2 TYR A 139 2.684 -9.284 -14.263 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.469 -8.588 -11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 139 4.285 -11.157 -13.786 1.00 0.00 H new ATOM 0 HH TYR A 139 6.095 -11.775 -12.624 1.00 0.00 H new ATOM 922 N GLY A 140 5.386 -5.777 -14.590 1.00 0.00 N ATOM 923 CA GLY A 140 6.521 -5.646 -15.514 1.00 0.00 C ATOM 924 C GLY A 140 7.648 -4.842 -14.858 1.00 0.00 C ATOM 925 O GLY A 140 8.808 -5.235 -14.896 1.00 0.00 O ATOM 0 H GLY A 140 5.658 -6.212 -13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 140 6.886 -6.634 -15.796 1.00 0.00 H new ATOM 0 HA3 GLY A 140 6.198 -5.152 -16.430 1.00 0.00 H new ATOM 926 N GLN A 141 7.250 -3.836 -14.074 1.00 0.00 N ATOM 927 CA GLN A 141 8.164 -2.926 -13.386 1.00 0.00 C ATOM 928 C GLN A 141 8.205 -3.186 -11.881 1.00 0.00 C ATOM 929 O GLN A 141 7.199 -3.259 -11.176 1.00 0.00 O ATOM 930 CB GLN A 141 7.776 -1.476 -13.705 1.00 0.00 C ATOM 931 CG GLN A 141 6.346 -1.034 -13.346 1.00 0.00 C ATOM 932 CD GLN A 141 5.337 -1.257 -14.479 1.00 0.00 C ATOM 933 OE1 GLN A 141 5.016 -2.365 -14.911 1.00 0.00 O ATOM 934 NE2 GLN A 141 4.697 -0.195 -14.889 1.00 0.00 N ATOM 0 H GLN A 141 6.267 -3.629 -13.898 1.00 0.00 H new ATOM 0 HA GLN A 141 9.175 -3.107 -13.750 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.473 -0.818 -13.186 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.921 -1.315 -14.773 1.00 0.00 H new ATOM 0 HG2 GLN A 141 6.016 -1.581 -12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 141 6.356 0.023 -13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 141 4.957 0.726 -14.535 1.00 0.00 H new ATOM 0 HE22 GLN A 141 3.937 -0.286 -15.563 1.00 0.00 H new ATOM 935 N LYS A 142 9.449 -3.327 -11.431 1.00 0.00 N ATOM 936 CA LYS A 142 9.846 -3.375 -9.996 1.00 0.00 C ATOM 937 C LYS A 142 9.286 -2.249 -9.109 1.00 0.00 C ATOM 938 O LYS A 142 9.141 -2.424 -7.902 1.00 0.00 O ATOM 939 CB LYS A 142 11.382 -3.471 -9.961 1.00 0.00 C ATOM 940 CG LYS A 142 12.129 -2.384 -10.766 1.00 0.00 C ATOM 941 CD LYS A 142 12.327 -1.062 -10.012 1.00 0.00 C ATOM 942 CE LYS A 142 13.397 -1.225 -8.931 1.00 0.00 C ATOM 943 NZ LYS A 142 13.488 -0.004 -8.126 1.00 0.00 N ATOM 0 H LYS A 142 10.246 -3.415 -12.062 1.00 0.00 H new ATOM 0 HA LYS A 142 9.387 -4.252 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.709 -3.420 -8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.677 -4.449 -10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.105 -2.772 -11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.577 -2.185 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 142 12.621 -0.278 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.386 -0.749 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 142 13.154 -2.074 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 142 14.361 -1.439 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 14.116 -0.170 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 13.871 0.768 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.541 0.257 -7.784 1.00 0.00 H new ATOM 944 N ALA A 143 8.793 -1.208 -9.772 1.00 0.00 N ATOM 945 CA ALA A 143 8.065 -0.065 -9.178 1.00 0.00 C ATOM 946 C ALA A 143 6.860 -0.485 -8.313 1.00 0.00 C ATOM 947 O ALA A 143 6.530 0.223 -7.374 1.00 0.00 O ATOM 948 CB ALA A 143 7.575 0.837 -10.318 1.00 0.00 C ATOM 0 H ALA A 143 8.888 -1.123 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 143 8.757 0.454 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 143 7.035 1.688 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.430 1.195 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.912 0.270 -10.971 1.00 0.00 H new ATOM 949 N ILE A 144 6.277 -1.649 -8.607 1.00 0.00 N ATOM 950 CA ILE A 144 5.155 -2.185 -7.814 1.00 0.00 C ATOM 951 C ILE A 144 5.568 -3.162 -6.702 1.00 0.00 C ATOM 952 O ILE A 144 4.833 -3.353 -5.736 1.00 0.00 O ATOM 953 CB ILE A 144 4.042 -2.817 -8.667 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.555 -3.961 -9.551 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.346 -1.721 -9.487 1.00 0.00 C ATOM 956 CD1 ILE A 144 3.519 -5.086 -9.654 1.00 0.00 C ATOM 0 H ILE A 144 6.559 -2.243 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 144 4.755 -1.293 -7.332 1.00 0.00 H new ATOM 0 HB ILE A 144 3.313 -3.274 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.784 -3.581 -10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.484 -4.355 -9.139 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.557 -2.166 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.913 -0.982 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 144 4.074 -1.236 -10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 144 3.909 -5.883 -10.286 1.00 0.00 H new ATOM 0 HD12 ILE A 144 3.311 -5.481 -8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.599 -4.695 -10.089 1.00 0.00 H new ATOM 957 N LEU A 145 6.807 -3.639 -6.784 1.00 0.00 N ATOM 958 CA LEU A 145 7.349 -4.702 -5.915 1.00 0.00 C ATOM 959 C LEU A 145 7.574 -4.234 -4.472 1.00 0.00 C ATOM 960 O LEU A 145 8.405 -3.374 -4.164 1.00 0.00 O ATOM 961 CB LEU A 145 8.640 -5.244 -6.542 1.00 0.00 C ATOM 962 CG LEU A 145 8.413 -6.451 -7.470 1.00 0.00 C ATOM 963 CD1 LEU A 145 7.455 -6.206 -8.635 1.00 0.00 C ATOM 964 CD2 LEU A 145 9.777 -6.895 -8.011 1.00 0.00 C ATOM 0 H LEU A 145 7.483 -3.297 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 145 6.611 -5.501 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.122 -4.447 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.328 -5.532 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 145 7.931 -7.221 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.363 -7.116 -9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 145 6.476 -5.925 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.842 -5.402 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 145 9.645 -7.751 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 145 10.233 -6.075 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 145 10.424 -7.176 -7.180 1.00 0.00 H new ATOM 965 N PHE A 146 6.678 -4.737 -3.625 1.00 0.00 N ATOM 966 CA PHE A 146 6.721 -4.515 -2.180 1.00 0.00 C ATOM 967 C PHE A 146 6.961 -5.853 -1.497 1.00 0.00 C ATOM 968 O PHE A 146 6.502 -6.911 -1.934 1.00 0.00 O ATOM 969 CB PHE A 146 5.383 -3.950 -1.678 1.00 0.00 C ATOM 970 CG PHE A 146 4.977 -2.523 -2.113 1.00 0.00 C ATOM 971 CD1 PHE A 146 5.643 -1.808 -3.129 1.00 0.00 C ATOM 972 CD2 PHE A 146 3.903 -1.926 -1.411 1.00 0.00 C ATOM 973 CE1 PHE A 146 5.244 -0.496 -3.453 1.00 0.00 C ATOM 974 CE2 PHE A 146 3.503 -0.610 -1.726 1.00 0.00 C ATOM 975 CZ PHE A 146 4.182 0.103 -2.738 1.00 0.00 C ATOM 0 H PHE A 146 5.894 -5.316 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 146 7.516 -3.805 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.594 -4.631 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 146 5.401 -3.972 -0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.463 -2.268 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.391 -2.476 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.745 0.047 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.682 -0.151 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.887 1.116 -2.968 1.00 0.00 H new ATOM 976 N LEU A 147 7.700 -5.765 -0.416 1.00 0.00 N ATOM 977 CA LEU A 147 8.146 -6.928 0.365 1.00 0.00 C ATOM 978 C LEU A 147 7.615 -6.837 1.798 1.00 0.00 C ATOM 979 O LEU A 147 7.829 -5.829 2.488 1.00 0.00 O ATOM 980 CB LEU A 147 9.677 -6.907 0.309 1.00 0.00 C ATOM 981 CG LEU A 147 10.319 -8.277 0.533 1.00 0.00 C ATOM 982 CD1 LEU A 147 11.724 -8.283 -0.072 1.00 0.00 C ATOM 983 CD2 LEU A 147 10.378 -8.670 2.012 1.00 0.00 C ATOM 0 H LEU A 147 8.021 -4.875 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 147 7.766 -7.868 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.991 -6.523 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.050 -6.213 1.062 1.00 0.00 H new ATOM 0 HG LEU A 147 9.692 -9.019 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 147 12.184 -9.258 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 147 11.661 -8.081 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 147 12.330 -7.514 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.843 -9.651 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 147 10.965 -7.934 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 147 9.368 -8.705 2.420 1.00 0.00 H new ATOM 984 N PRO A 148 6.817 -7.835 2.209 1.00 0.00 N ATOM 985 CA PRO A 148 6.304 -7.924 3.584 1.00 0.00 C ATOM 986 C PRO A 148 7.439 -8.265 4.543 1.00 0.00 C ATOM 987 O PRO A 148 8.122 -9.280 4.414 1.00 0.00 O ATOM 988 CB PRO A 148 5.306 -9.084 3.577 1.00 0.00 C ATOM 989 CG PRO A 148 5.026 -9.386 2.124 1.00 0.00 C ATOM 990 CD PRO A 148 6.254 -8.899 1.353 1.00 0.00 C ATOM 0 HA PRO A 148 5.854 -6.984 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 148 5.719 -9.956 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 148 4.390 -8.813 4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 148 4.866 -10.453 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 148 4.124 -8.876 1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 148 6.971 -9.705 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 148 5.982 -8.517 0.369 1.00 0.00 H new ATOM 991 N LEU A 149 7.614 -7.368 5.508 1.00 0.00 N ATOM 992 CA LEU A 149 8.439 -7.599 6.712 1.00 0.00 C ATOM 993 C LEU A 149 7.607 -7.560 7.997 1.00 0.00 C ATOM 994 O LEU A 149 7.850 -6.741 8.877 1.00 0.00 O ATOM 995 CB LEU A 149 9.608 -6.593 6.684 1.00 0.00 C ATOM 996 CG LEU A 149 10.668 -7.040 5.676 1.00 0.00 C ATOM 997 CD1 LEU A 149 11.662 -5.913 5.412 1.00 0.00 C ATOM 998 CD2 LEU A 149 11.413 -8.297 6.143 1.00 0.00 C ATOM 0 H LEU A 149 7.185 -6.443 5.485 1.00 0.00 H new ATOM 0 HA LEU A 149 8.854 -8.607 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 149 9.238 -5.603 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 149 10.051 -6.512 7.677 1.00 0.00 H new ATOM 0 HG LEU A 149 10.148 -7.288 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 149 12.409 -6.248 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 149 11.134 -5.048 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 149 12.154 -5.636 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 149 12.156 -8.578 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.910 -8.094 7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 149 10.703 -9.113 6.273 1.00 0.00 H new ATOM 999 N PRO A 150 6.658 -8.501 8.154 1.00 0.00 N ATOM 1000 CA PRO A 150 5.734 -8.469 9.299 1.00 0.00 C ATOM 1001 C PRO A 150 6.482 -8.758 10.604 1.00 0.00 C ATOM 1002 O PRO A 150 7.458 -9.502 10.662 1.00 0.00 O ATOM 1003 CB PRO A 150 4.645 -9.474 8.971 1.00 0.00 C ATOM 1004 CG PRO A 150 5.371 -10.526 8.140 1.00 0.00 C ATOM 1005 CD PRO A 150 6.441 -9.741 7.374 1.00 0.00 C ATOM 0 HA PRO A 150 5.286 -7.488 9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 150 4.211 -9.905 9.873 1.00 0.00 H new ATOM 0 HB3 PRO A 150 3.829 -9.014 8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 150 5.818 -11.292 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 150 4.688 -11.034 7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 150 7.363 -10.316 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 150 6.111 -9.514 6.360 1.00 0.00 H new