USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=36 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 110 THR OG1 : rot -1:sc= 0.633 USER MOD Set 1.2: A 139 TYR OH : rot 138:sc= 1.09 USER MOD Set 2.1: A 138 HIS : no HE2:sc= 0.121 K(o=-0.6,f=-2.4!) USER MOD Set 2.2: A 141 GLN : amide:sc= -0.716 K(o=-0.6,f=0.66) USER MOD Set 3.1: A 113 SER OG : rot 80:sc= 0.36 USER MOD Set 3.2: A 116 HIS : no HE2:sc= -6.24! C(o=-7.9!,f=-2.3!) USER MOD Set 3.3: A 119 LYS NZ :NH3+ -154:sc= -1.97! (180deg=0) USER MOD Set 4.1: A 90 SER OG : rot -92:sc= 2.27 USER MOD Set 4.2: A 92 THR OG1 : rot 42:sc= 1.36 USER MOD Set 5.1: A 59 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.5) USER MOD Set 5.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 52 SER OG : rot -89:sc= 1.32 USER MOD Set 6.2: A 54 GLN : amide:sc= 0.985 K(o=-2.1,f=-3.5) USER MOD Set 6.3: A 55 HIS : no HD1:sc= -4.41! C(o=-2.1!,f=-11!) USER MOD Set 7.1: A 30 CYS SG : rot -118:sc= -1.58 USER MOD Set 7.2: A 32 ASN : amide:sc= -0.488 X(o=-5.6,f=-5.5!) USER MOD Set 7.3: A 35 HIS : no HE2:sc= -3.52! C(o=-5.6!,f=-12!) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.29 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -150:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.27! C(o=-1.3!,f=-10!) USER MOD Single : A 64 SER OG : rot -111:sc= 0.288 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 124:sc= 0.83 USER MOD Single : A 73 THR OG1 : rot -51:sc= 1.58 USER MOD Single : A 75 THR OG1 : rot -165:sc= 0.954 USER MOD Single : A 77 GLN : amide:sc= 0.273 X(o=0.27,f=-0.11) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 172:sc= -0.657 (180deg=-0.851) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 91 GLN : amide:sc= -1.8! C(o=-1.8!,f=-3.4!) USER MOD Single : A 94 ASN : amide:sc= -0.971 K(o=-0.97,f=-4.9!) USER MOD Single : A 97 CYS SG : rot -25:sc= -3.58! USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-1.1) USER MOD Single : A 108 TYR OH : rot -2:sc= 0.657 USER MOD Single : A 109 ASN : amide:sc= -0.167 K(o=-0.17,f=-3!) USER MOD Single : A 111 TYR OH : rot 6:sc= 0.698 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc=-0.00552 X(o=-0.0055,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.25) USER MOD Single : A 128 ASN : amide:sc= 0.382 X(o=0.38,f=-0.016) USER MOD Single : A 130 SER OG : rot -69:sc= 1.76 USER MOD Single : A 131 CYS SG : rot 170:sc= -1.72 USER MOD Single : A 132 LYS NZ :NH3+ -128:sc= -0.0443 (180deg=-0.707) USER MOD Single : A 137 THR OG1 : rot 34:sc= 1.22 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 SER OG : rot 72:sc= 0.428 USER MOD Single : A 153 SER OG : rot 43:sc= 0.048 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -14.310 8.738 1.697 1.00 0.00 N ATOM 2 CA LEU A 28 -12.956 8.952 2.256 1.00 0.00 C ATOM 3 C LEU A 28 -11.819 8.250 1.463 1.00 0.00 C ATOM 4 O LEU A 28 -12.084 7.502 0.524 1.00 0.00 O ATOM 5 CB LEU A 28 -12.908 8.563 3.745 1.00 0.00 C ATOM 6 CG LEU A 28 -13.025 7.056 4.011 1.00 0.00 C ATOM 7 CD1 LEU A 28 -12.113 6.649 5.171 1.00 0.00 C ATOM 8 CD2 LEU A 28 -14.475 6.626 4.244 1.00 0.00 C ATOM 0 HA LEU A 28 -12.765 10.021 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.972 8.923 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.715 9.076 4.268 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.691 6.528 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.206 5.578 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.079 6.887 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.403 7.192 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.511 5.552 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.877 7.156 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.071 6.863 3.363 1.00 0.00 H new ATOM 9 N TYR A 29 -10.596 8.406 1.968 1.00 0.00 N ATOM 10 CA TYR A 29 -9.336 7.880 1.405 1.00 0.00 C ATOM 11 C TYR A 29 -9.394 6.375 1.073 1.00 0.00 C ATOM 12 O TYR A 29 -9.059 5.965 -0.038 1.00 0.00 O ATOM 13 CB TYR A 29 -8.253 8.242 2.434 1.00 0.00 C ATOM 14 CG TYR A 29 -6.838 7.767 2.103 1.00 0.00 C ATOM 15 CD1 TYR A 29 -5.952 8.657 1.441 1.00 0.00 C ATOM 16 CD2 TYR A 29 -6.374 6.591 2.721 1.00 0.00 C ATOM 17 CE1 TYR A 29 -4.581 8.362 1.440 1.00 0.00 C ATOM 18 CE2 TYR A 29 -5.003 6.296 2.720 1.00 0.00 C ATOM 19 CZ TYR A 29 -4.112 7.200 2.088 1.00 0.00 C ATOM 20 OH TYR A 29 -2.780 7.019 2.243 1.00 0.00 O ATOM 0 H TYR A 29 -10.440 8.931 2.829 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.120 8.326 0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.235 9.326 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.540 7.824 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.326 9.543 0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.072 5.917 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.886 9.023 0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.633 5.398 3.192 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.338 7.890 2.315 1.00 0.00 H new ATOM 21 N CYS A 30 -9.765 5.572 2.070 1.00 0.00 N ATOM 22 CA CYS A 30 -9.890 4.118 1.932 1.00 0.00 C ATOM 23 C CYS A 30 -11.305 3.601 2.188 1.00 0.00 C ATOM 24 O CYS A 30 -11.931 3.931 3.190 1.00 0.00 O ATOM 25 CB CYS A 30 -8.933 3.422 2.905 1.00 0.00 C ATOM 26 SG CYS A 30 -9.135 4.002 4.631 1.00 0.00 S ATOM 0 H CYS A 30 -9.989 5.913 3.005 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.640 3.888 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.101 2.346 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.906 3.597 2.585 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.029 4.553 5.036 1.00 0.00 H new ATOM 27 N SER A 31 -11.675 2.609 1.388 1.00 0.00 N ATOM 28 CA SER A 31 -12.906 1.813 1.599 1.00 0.00 C ATOM 29 C SER A 31 -12.562 0.633 2.526 1.00 0.00 C ATOM 30 O SER A 31 -12.384 -0.519 2.123 1.00 0.00 O ATOM 31 CB SER A 31 -13.493 1.355 0.264 1.00 0.00 C ATOM 32 OG SER A 31 -14.776 0.767 0.489 1.00 0.00 O ATOM 0 H SER A 31 -11.138 2.323 0.569 1.00 0.00 H new ATOM 0 HA SER A 31 -13.676 2.420 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.583 2.202 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.828 0.634 -0.211 1.00 0.00 H new ATOM 0 HG SER A 31 -15.156 0.474 -0.365 1.00 0.00 H new ATOM 33 N ASN A 32 -12.133 1.089 3.688 1.00 0.00 N ATOM 34 CA ASN A 32 -11.621 0.317 4.837 1.00 0.00 C ATOM 35 C ASN A 32 -12.216 0.907 6.141 1.00 0.00 C ATOM 36 O ASN A 32 -12.892 1.930 6.108 1.00 0.00 O ATOM 37 CB ASN A 32 -10.106 0.495 4.722 1.00 0.00 C ATOM 38 CG ASN A 32 -9.252 0.311 5.968 1.00 0.00 C ATOM 39 OD1 ASN A 32 -8.656 1.232 6.511 1.00 0.00 O ATOM 40 ND2 ASN A 32 -9.178 -0.911 6.432 1.00 0.00 N ATOM 0 H ASN A 32 -12.128 2.090 3.882 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.890 -0.739 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.747 -0.206 3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.919 1.498 4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.616 -1.109 7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.682 -1.665 5.965 1.00 0.00 H new ATOM 41 N GLY A 33 -11.894 0.255 7.271 1.00 0.00 N ATOM 42 CA GLY A 33 -12.204 0.744 8.640 1.00 0.00 C ATOM 43 C GLY A 33 -11.875 2.242 8.782 1.00 0.00 C ATOM 44 O GLY A 33 -12.587 2.979 9.453 1.00 0.00 O ATOM 0 H GLY A 33 -11.404 -0.640 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.259 0.578 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.633 0.172 9.372 1.00 0.00 H new ATOM 45 N GLY A 34 -10.686 2.575 8.300 1.00 0.00 N ATOM 46 CA GLY A 34 -10.322 3.955 7.951 1.00 0.00 C ATOM 47 C GLY A 34 -8.924 4.392 8.426 1.00 0.00 C ATOM 48 O GLY A 34 -8.781 5.239 9.299 1.00 0.00 O ATOM 0 H GLY A 34 -9.940 1.899 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.374 4.067 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.063 4.631 8.378 1.00 0.00 H new ATOM 49 N HIS A 35 -7.938 3.939 7.656 1.00 0.00 N ATOM 50 CA HIS A 35 -6.523 4.196 7.937 1.00 0.00 C ATOM 51 C HIS A 35 -5.854 5.060 6.856 1.00 0.00 C ATOM 52 O HIS A 35 -6.452 5.366 5.826 1.00 0.00 O ATOM 53 CB HIS A 35 -5.754 2.871 8.073 1.00 0.00 C ATOM 54 CG HIS A 35 -6.331 1.943 9.130 1.00 0.00 C ATOM 55 ND1 HIS A 35 -7.200 0.969 8.890 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.174 2.058 10.437 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.588 0.470 10.044 1.00 0.00 C ATOM 58 NE2 HIS A 35 -6.967 1.157 10.999 1.00 0.00 N ATOM 0 H HIS A 35 -8.095 3.381 6.817 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.488 4.749 8.876 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.755 2.359 7.111 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.714 3.087 8.318 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.513 0.660 7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.524 2.753 10.949 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.281 -0.345 10.189 1.00 0.00 H new ATOM 59 N PHE A 36 -4.559 5.274 7.059 1.00 0.00 N ATOM 60 CA PHE A 36 -3.700 6.066 6.168 1.00 0.00 C ATOM 61 C PHE A 36 -2.451 5.256 5.902 1.00 0.00 C ATOM 62 O PHE A 36 -1.852 4.706 6.826 1.00 0.00 O ATOM 63 CB PHE A 36 -3.364 7.387 6.842 1.00 0.00 C ATOM 64 CG PHE A 36 -4.175 8.526 6.215 1.00 0.00 C ATOM 65 CD1 PHE A 36 -5.507 8.744 6.628 1.00 0.00 C ATOM 66 CD2 PHE A 36 -3.554 9.356 5.266 1.00 0.00 C ATOM 67 CE1 PHE A 36 -6.228 9.823 6.077 1.00 0.00 C ATOM 68 CE2 PHE A 36 -4.275 10.436 4.714 1.00 0.00 C ATOM 69 CZ PHE A 36 -5.601 10.661 5.126 1.00 0.00 C ATOM 0 H PHE A 36 -4.060 4.896 7.864 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.199 6.288 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.578 7.323 7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.298 7.593 6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.968 8.093 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.535 9.169 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.249 10.008 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.814 11.083 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.151 11.491 4.708 1.00 0.00 H new ATOM 70 N LEU A 37 -2.109 5.176 4.621 1.00 0.00 N ATOM 71 CA LEU A 37 -0.949 4.377 4.198 1.00 0.00 C ATOM 72 C LEU A 37 0.338 5.137 4.535 1.00 0.00 C ATOM 73 O LEU A 37 0.649 6.170 3.955 1.00 0.00 O ATOM 74 CB LEU A 37 -1.068 4.030 2.714 1.00 0.00 C ATOM 75 CG LEU A 37 -0.003 2.994 2.352 1.00 0.00 C ATOM 76 CD1 LEU A 37 -0.641 1.648 2.017 1.00 0.00 C ATOM 77 CD2 LEU A 37 0.811 3.514 1.171 1.00 0.00 C ATOM 0 H LEU A 37 -2.605 5.644 3.863 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.918 3.431 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.062 3.638 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.941 4.927 2.107 1.00 0.00 H new ATOM 0 HG LEU A 37 0.654 2.839 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.138 0.929 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.201 1.286 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.316 1.766 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.574 2.782 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.152 3.678 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.290 4.454 1.445 1.00 0.00 H new ATOM 78 N ARG A 38 0.858 4.730 5.691 1.00 0.00 N ATOM 79 CA ARG A 38 2.077 5.308 6.266 1.00 0.00 C ATOM 80 C ARG A 38 3.256 4.334 6.175 1.00 0.00 C ATOM 81 O ARG A 38 3.229 3.207 6.670 1.00 0.00 O ATOM 82 CB ARG A 38 1.816 5.706 7.719 1.00 0.00 C ATOM 83 CG ARG A 38 3.041 6.341 8.376 1.00 0.00 C ATOM 84 CD ARG A 38 2.771 6.975 9.734 1.00 0.00 C ATOM 85 NE ARG A 38 2.218 5.986 10.655 1.00 0.00 N ATOM 86 CZ ARG A 38 1.125 6.099 11.410 1.00 0.00 C ATOM 87 NH1 ARG A 38 0.048 6.716 10.956 1.00 0.00 N ATOM 88 NH2 ARG A 38 0.907 5.195 12.351 1.00 0.00 N ATOM 0 H ARG A 38 0.447 3.989 6.259 1.00 0.00 H new ATOM 0 HA ARG A 38 2.345 6.195 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.982 6.407 7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.518 4.825 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.812 5.579 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.443 7.102 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.695 7.385 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.076 7.807 9.623 1.00 0.00 H new ATOM 0 HE ARG A 38 2.728 5.106 10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.046 7.113 10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.781 6.795 11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.569 4.431 12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.077 5.262 12.940 1.00 0.00 H new ATOM 89 N ILE A 39 4.311 4.915 5.620 1.00 0.00 N ATOM 90 CA ILE A 39 5.632 4.281 5.555 1.00 0.00 C ATOM 91 C ILE A 39 6.463 5.055 6.579 1.00 0.00 C ATOM 92 O ILE A 39 6.827 6.216 6.404 1.00 0.00 O ATOM 93 CB ILE A 39 6.219 4.334 4.134 1.00 0.00 C ATOM 94 CG1 ILE A 39 5.423 3.482 3.119 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.654 3.823 4.138 1.00 0.00 C ATOM 96 CD1 ILE A 39 4.067 4.055 2.714 1.00 0.00 C ATOM 0 H ILE A 39 4.280 5.843 5.199 1.00 0.00 H new ATOM 0 HA ILE A 39 5.605 3.216 5.785 1.00 0.00 H new ATOM 0 HB ILE A 39 6.167 5.379 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.029 3.354 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.269 2.490 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.058 3.866 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.260 4.445 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.672 2.793 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.588 3.385 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.436 4.156 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.208 5.034 2.255 1.00 0.00 H new ATOM 97 N LEU A 40 6.523 4.380 7.711 1.00 0.00 N ATOM 98 CA LEU A 40 7.125 4.889 8.943 1.00 0.00 C ATOM 99 C LEU A 40 8.600 5.235 8.705 1.00 0.00 C ATOM 100 O LEU A 40 9.256 4.507 7.956 1.00 0.00 O ATOM 101 CB LEU A 40 7.029 3.850 10.065 1.00 0.00 C ATOM 102 CG LEU A 40 5.679 3.700 10.782 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.385 4.977 11.548 1.00 0.00 C ATOM 104 CD2 LEU A 40 4.525 3.355 9.847 1.00 0.00 C ATOM 0 H LEU A 40 6.146 3.437 7.809 1.00 0.00 H new ATOM 0 HA LEU A 40 6.579 5.785 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.297 2.879 9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.782 4.094 10.814 1.00 0.00 H new ATOM 0 HG LEU A 40 5.764 2.854 11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.428 4.881 12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.173 5.152 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.342 5.816 10.854 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.604 3.265 10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.412 4.143 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.733 2.410 9.346 1.00 0.00 H new ATOM 105 N PRO A 41 9.151 6.205 9.449 1.00 0.00 N ATOM 106 CA PRO A 41 10.569 6.608 9.305 1.00 0.00 C ATOM 107 C PRO A 41 11.550 5.430 9.487 1.00 0.00 C ATOM 108 O PRO A 41 12.498 5.313 8.720 1.00 0.00 O ATOM 109 CB PRO A 41 10.762 7.729 10.324 1.00 0.00 C ATOM 110 CG PRO A 41 9.657 7.519 11.357 1.00 0.00 C ATOM 111 CD PRO A 41 8.496 6.917 10.563 1.00 0.00 C ATOM 0 HA PRO A 41 10.793 6.953 8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.748 7.678 10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.681 8.709 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.981 6.850 12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.370 8.459 11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.904 6.238 11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.819 7.690 10.199 1.00 0.00 H new ATOM 112 N ASP A 42 11.128 4.449 10.290 1.00 0.00 N ATOM 113 CA ASP A 42 11.881 3.204 10.547 1.00 0.00 C ATOM 114 C ASP A 42 11.528 2.082 9.544 1.00 0.00 C ATOM 115 O ASP A 42 11.391 0.911 9.920 1.00 0.00 O ATOM 116 CB ASP A 42 11.565 2.800 11.990 1.00 0.00 C ATOM 117 CG ASP A 42 12.445 1.642 12.501 1.00 0.00 C ATOM 118 OD1 ASP A 42 13.678 1.859 12.560 1.00 0.00 O ATOM 119 OD2 ASP A 42 11.862 0.598 12.839 1.00 0.00 O ATOM 0 H ASP A 42 10.240 4.492 10.791 1.00 0.00 H new ATOM 0 HA ASP A 42 12.950 3.370 10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.699 3.664 12.640 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.517 2.509 12.058 1.00 0.00 H new ATOM 120 N GLY A 43 11.250 2.466 8.297 1.00 0.00 N ATOM 121 CA GLY A 43 10.923 1.539 7.183 1.00 0.00 C ATOM 122 C GLY A 43 9.810 0.523 7.484 1.00 0.00 C ATOM 123 O GLY A 43 9.803 -0.581 6.924 1.00 0.00 O ATOM 0 H GLY A 43 11.243 3.446 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.630 2.129 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.826 0.994 6.908 1.00 0.00 H new ATOM 124 N THR A 44 8.807 0.939 8.263 1.00 0.00 N ATOM 125 CA THR A 44 7.706 0.060 8.706 1.00 0.00 C ATOM 126 C THR A 44 6.424 0.520 7.976 1.00 0.00 C ATOM 127 O THR A 44 6.280 1.709 7.704 1.00 0.00 O ATOM 128 CB THR A 44 7.526 0.236 10.215 1.00 0.00 C ATOM 129 OG1 THR A 44 8.783 0.186 10.901 1.00 0.00 O ATOM 130 CG2 THR A 44 6.529 -0.752 10.834 1.00 0.00 C ATOM 0 H THR A 44 8.730 1.896 8.608 1.00 0.00 H new ATOM 0 HA THR A 44 7.915 -0.986 8.484 1.00 0.00 H new ATOM 0 HB THR A 44 7.095 1.229 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.636 0.303 11.863 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.452 -0.568 11.906 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.551 -0.619 10.372 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.875 -1.772 10.665 1.00 0.00 H new ATOM 131 N VAL A 45 5.539 -0.394 7.606 1.00 0.00 N ATOM 132 CA VAL A 45 4.314 0.023 6.890 1.00 0.00 C ATOM 133 C VAL A 45 3.029 -0.283 7.678 1.00 0.00 C ATOM 134 O VAL A 45 2.587 -1.420 7.852 1.00 0.00 O ATOM 135 CB VAL A 45 4.329 -0.464 5.425 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.125 0.016 4.635 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.546 0.109 4.702 1.00 0.00 C ATOM 0 H VAL A 45 5.627 -1.396 7.775 1.00 0.00 H new ATOM 0 HA VAL A 45 4.310 1.111 6.825 1.00 0.00 H new ATOM 0 HB VAL A 45 4.335 -1.553 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.189 -0.356 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.212 -0.356 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.108 1.106 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.552 -0.238 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.500 1.198 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.456 -0.224 5.201 1.00 0.00 H new ATOM 138 N ASP A 46 2.460 0.813 8.144 1.00 0.00 N ATOM 139 CA ASP A 46 1.265 0.802 8.992 1.00 0.00 C ATOM 140 C ASP A 46 0.216 1.854 8.614 1.00 0.00 C ATOM 141 O ASP A 46 0.493 2.758 7.827 1.00 0.00 O ATOM 142 CB ASP A 46 1.590 0.962 10.482 1.00 0.00 C ATOM 143 CG ASP A 46 2.255 -0.289 11.037 1.00 0.00 C ATOM 144 OD1 ASP A 46 1.508 -1.273 11.243 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.476 -0.235 11.245 1.00 0.00 O ATOM 0 H ASP A 46 2.812 1.750 7.947 1.00 0.00 H new ATOM 0 HA ASP A 46 0.840 -0.185 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.247 1.820 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.674 1.167 11.037 1.00 0.00 H new ATOM 146 N GLY A 47 -1.012 1.494 8.948 1.00 0.00 N ATOM 147 CA GLY A 47 -2.157 2.412 8.915 1.00 0.00 C ATOM 148 C GLY A 47 -2.142 3.236 10.203 1.00 0.00 C ATOM 149 O GLY A 47 -1.138 3.321 10.900 1.00 0.00 O ATOM 0 H GLY A 47 -1.253 0.551 9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.096 3.065 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.090 1.854 8.831 1.00 0.00 H new ATOM 150 N THR A 48 -3.348 3.586 10.628 1.00 0.00 N ATOM 151 CA THR A 48 -3.463 4.470 11.795 1.00 0.00 C ATOM 152 C THR A 48 -4.412 4.061 12.923 1.00 0.00 C ATOM 153 O THR A 48 -5.634 4.041 12.780 1.00 0.00 O ATOM 154 CB THR A 48 -3.621 5.947 11.406 1.00 0.00 C ATOM 155 OG1 THR A 48 -3.756 6.733 12.582 1.00 0.00 O ATOM 156 CG2 THR A 48 -4.815 6.210 10.480 1.00 0.00 C ATOM 0 H THR A 48 -4.230 3.291 10.209 1.00 0.00 H new ATOM 0 HA THR A 48 -2.489 4.330 12.264 1.00 0.00 H new ATOM 0 HB THR A 48 -2.724 6.223 10.851 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.305 7.521 12.387 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.866 7.273 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.693 5.641 9.558 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.735 5.903 10.977 1.00 0.00 H new ATOM 157 N ARG A 49 -3.746 3.451 13.891 1.00 0.00 N ATOM 158 CA ARG A 49 -4.252 3.328 15.276 1.00 0.00 C ATOM 159 C ARG A 49 -3.847 4.545 16.146 1.00 0.00 C ATOM 160 O ARG A 49 -4.145 4.631 17.338 1.00 0.00 O ATOM 161 CB ARG A 49 -3.734 2.019 15.873 1.00 0.00 C ATOM 162 CG ARG A 49 -2.201 1.901 15.856 1.00 0.00 C ATOM 163 CD ARG A 49 -1.716 0.500 16.243 1.00 0.00 C ATOM 164 NE ARG A 49 -1.904 -0.482 15.150 1.00 0.00 N ATOM 165 CZ ARG A 49 -2.646 -1.594 15.195 1.00 0.00 C ATOM 166 NH1 ARG A 49 -3.415 -1.889 16.225 1.00 0.00 N ATOM 167 NH2 ARG A 49 -2.504 -2.519 14.255 1.00 0.00 N ATOM 0 H ARG A 49 -2.832 3.020 13.751 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.342 3.314 15.258 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.086 1.934 16.901 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.161 1.183 15.320 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.832 2.148 14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.776 2.632 16.544 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.660 0.545 16.511 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.255 0.163 17.128 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.418 -0.291 14.274 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.459 -1.259 17.026 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.966 -2.747 16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.831 -2.381 13.501 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.068 -3.368 14.286 1.00 0.00 H new ATOM 168 N ASP A 50 -3.108 5.451 15.497 1.00 0.00 N ATOM 169 CA ASP A 50 -2.499 6.700 15.995 1.00 0.00 C ATOM 170 C ASP A 50 -1.639 7.199 14.826 1.00 0.00 C ATOM 171 O ASP A 50 -0.803 6.452 14.323 1.00 0.00 O ATOM 172 CB ASP A 50 -1.580 6.381 17.179 1.00 0.00 C ATOM 173 CG ASP A 50 -1.089 7.630 17.942 1.00 0.00 C ATOM 174 OD1 ASP A 50 -1.711 8.708 17.770 1.00 0.00 O ATOM 175 OD2 ASP A 50 -0.065 7.485 18.656 1.00 0.00 O ATOM 0 H ASP A 50 -2.897 5.319 14.508 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.244 7.426 16.320 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.110 5.728 17.873 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.715 5.825 16.816 1.00 0.00 H new ATOM 176 N ARG A 51 -1.875 8.425 14.387 1.00 0.00 N ATOM 177 CA ARG A 51 -1.259 8.911 13.132 1.00 0.00 C ATOM 178 C ARG A 51 0.033 9.679 13.355 1.00 0.00 C ATOM 179 O ARG A 51 0.072 10.751 13.960 1.00 0.00 O ATOM 180 CB ARG A 51 -2.290 9.728 12.335 1.00 0.00 C ATOM 181 CG ARG A 51 -2.124 9.513 10.825 1.00 0.00 C ATOM 182 CD ARG A 51 -3.108 10.368 10.017 1.00 0.00 C ATOM 183 NE ARG A 51 -4.390 9.649 9.834 1.00 0.00 N ATOM 184 CZ ARG A 51 -5.530 9.863 10.490 1.00 0.00 C ATOM 185 NH1 ARG A 51 -5.688 10.878 11.334 1.00 0.00 N ATOM 186 NH2 ARG A 51 -6.605 9.126 10.236 1.00 0.00 N ATOM 0 H ARG A 51 -2.475 9.101 14.860 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.968 8.039 12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.297 9.440 12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.177 10.787 12.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.103 9.759 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.278 8.460 10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.284 11.313 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.677 10.609 9.045 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.401 8.911 9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.920 11.528 11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.578 11.006 11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.563 8.388 9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.473 9.298 10.744 1.00 0.00 H new ATOM 187 N SER A 52 1.097 9.114 12.777 1.00 0.00 N ATOM 188 CA SER A 52 2.406 9.790 12.704 1.00 0.00 C ATOM 189 C SER A 52 2.412 10.695 11.482 1.00 0.00 C ATOM 190 O SER A 52 2.570 10.291 10.333 1.00 0.00 O ATOM 191 CB SER A 52 3.548 8.783 12.726 1.00 0.00 C ATOM 192 OG SER A 52 4.791 9.456 12.533 1.00 0.00 O ATOM 0 H SER A 52 1.082 8.188 12.350 1.00 0.00 H new ATOM 0 HA SER A 52 2.565 10.414 13.584 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.557 8.250 13.677 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.403 8.038 11.944 1.00 0.00 H new ATOM 0 HG SER A 52 4.991 9.505 11.575 1.00 0.00 H new ATOM 193 N ASP A 53 1.708 11.765 11.824 1.00 0.00 N ATOM 194 CA ASP A 53 1.411 12.995 11.061 1.00 0.00 C ATOM 195 C ASP A 53 2.163 13.279 9.749 1.00 0.00 C ATOM 196 O ASP A 53 1.584 13.825 8.811 1.00 0.00 O ATOM 197 CB ASP A 53 1.492 14.219 12.002 1.00 0.00 C ATOM 198 CG ASP A 53 2.882 14.462 12.606 1.00 0.00 C ATOM 199 OD1 ASP A 53 3.386 13.547 13.303 1.00 0.00 O ATOM 200 OD2 ASP A 53 3.415 15.558 12.366 1.00 0.00 O ATOM 0 H ASP A 53 1.277 11.808 12.747 1.00 0.00 H new ATOM 0 HA ASP A 53 0.404 12.800 10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.189 15.108 11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.775 14.087 12.812 1.00 0.00 H new ATOM 201 N GLN A 54 3.446 12.950 9.744 1.00 0.00 N ATOM 202 CA GLN A 54 4.336 13.198 8.593 1.00 0.00 C ATOM 203 C GLN A 54 4.332 12.022 7.602 1.00 0.00 C ATOM 204 O GLN A 54 3.695 12.127 6.558 1.00 0.00 O ATOM 205 CB GLN A 54 5.745 13.518 9.117 1.00 0.00 C ATOM 206 CG GLN A 54 6.711 13.956 8.017 1.00 0.00 C ATOM 207 CD GLN A 54 8.177 13.900 8.459 1.00 0.00 C ATOM 208 OE1 GLN A 54 8.546 14.033 9.614 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.050 13.516 7.547 1.00 0.00 N ATOM 0 H GLN A 54 3.911 12.502 10.534 1.00 0.00 H new ATOM 0 HA GLN A 54 3.968 14.055 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.677 14.306 9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.149 12.637 9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.575 13.317 7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.467 14.973 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.757 13.400 6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.018 13.335 7.812 1.00 0.00 H new ATOM 210 N HIS A 55 4.808 10.878 8.054 1.00 0.00 N ATOM 211 CA HIS A 55 5.171 9.682 7.246 1.00 0.00 C ATOM 212 C HIS A 55 4.048 9.043 6.389 1.00 0.00 C ATOM 213 O HIS A 55 4.288 8.103 5.632 1.00 0.00 O ATOM 214 CB HIS A 55 5.837 8.674 8.200 1.00 0.00 C ATOM 215 CG HIS A 55 6.809 9.382 9.161 1.00 0.00 C ATOM 216 ND1 HIS A 55 6.496 9.753 10.394 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.877 10.094 8.806 1.00 0.00 C ATOM 218 CE1 HIS A 55 7.331 10.697 10.793 1.00 0.00 C ATOM 219 NE2 HIS A 55 8.169 10.942 9.793 1.00 0.00 N ATOM 0 H HIS A 55 4.969 10.728 9.050 1.00 0.00 H new ATOM 0 HA HIS A 55 5.855 10.018 6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.072 8.150 8.772 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.375 7.922 7.622 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.416 10.000 7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.331 11.181 11.758 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.903 11.650 9.782 1.00 0.00 H new ATOM 220 N ILE A 56 2.822 9.411 6.733 1.00 0.00 N ATOM 221 CA ILE A 56 1.618 9.218 5.879 1.00 0.00 C ATOM 222 C ILE A 56 1.736 9.890 4.514 1.00 0.00 C ATOM 223 O ILE A 56 2.710 10.533 4.144 1.00 0.00 O ATOM 224 CB ILE A 56 0.347 9.663 6.639 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.405 11.100 7.210 1.00 0.00 C ATOM 226 CG2 ILE A 56 -0.053 8.692 7.736 1.00 0.00 C ATOM 227 CD1 ILE A 56 -0.237 12.131 6.288 1.00 0.00 C ATOM 0 H ILE A 56 2.613 9.861 7.624 1.00 0.00 H new ATOM 0 HA ILE A 56 1.538 8.152 5.667 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.421 9.661 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.098 11.122 8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.445 11.374 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.951 9.056 8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.252 7.713 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.756 8.609 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.166 13.119 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.281 12.134 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.286 11.878 6.133 1.00 0.00 H new ATOM 228 N GLN A 57 0.808 9.410 3.704 1.00 0.00 N ATOM 229 CA GLN A 57 0.509 9.913 2.358 1.00 0.00 C ATOM 230 C GLN A 57 1.441 9.359 1.285 1.00 0.00 C ATOM 231 O GLN A 57 2.669 9.533 1.280 1.00 0.00 O ATOM 232 CB GLN A 57 0.334 11.430 2.274 1.00 0.00 C ATOM 233 CG GLN A 57 -0.288 11.803 0.930 1.00 0.00 C ATOM 234 CD GLN A 57 -1.685 11.213 0.750 1.00 0.00 C ATOM 235 OE1 GLN A 57 -1.957 10.019 0.642 1.00 0.00 O ATOM 236 NE2 GLN A 57 -2.604 12.143 0.696 1.00 0.00 N ATOM 0 H GLN A 57 0.213 8.626 3.970 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.479 9.510 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.301 11.778 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.299 11.924 2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.342 12.888 0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.358 11.453 0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.342 13.124 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.582 11.886 0.561 1.00 0.00 H new ATOM 237 N LEU A 58 0.760 8.863 0.269 1.00 0.00 N ATOM 238 CA LEU A 58 1.366 8.103 -0.819 1.00 0.00 C ATOM 239 C LEU A 58 1.237 8.815 -2.179 1.00 0.00 C ATOM 240 O LEU A 58 0.288 9.550 -2.436 1.00 0.00 O ATOM 241 CB LEU A 58 0.675 6.730 -0.713 1.00 0.00 C ATOM 242 CG LEU A 58 -0.705 6.659 -1.403 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.553 6.157 -2.840 1.00 0.00 C ATOM 244 CD2 LEU A 58 -1.638 5.714 -0.657 1.00 0.00 C ATOM 0 H LEU A 58 -0.249 8.977 0.171 1.00 0.00 H new ATOM 0 HA LEU A 58 2.448 7.998 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.326 5.974 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.555 6.477 0.340 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.128 7.663 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.533 6.112 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.089 6.839 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.107 5.163 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.603 5.681 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.204 4.714 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.775 6.069 0.364 1.00 0.00 H new ATOM 245 N GLN A 59 2.281 8.669 -2.982 1.00 0.00 N ATOM 246 CA GLN A 59 2.292 9.154 -4.366 1.00 0.00 C ATOM 247 C GLN A 59 2.828 8.072 -5.307 1.00 0.00 C ATOM 248 O GLN A 59 3.684 7.274 -4.922 1.00 0.00 O ATOM 249 CB GLN A 59 3.186 10.402 -4.414 1.00 0.00 C ATOM 250 CG GLN A 59 2.998 11.348 -5.603 1.00 0.00 C ATOM 251 CD GLN A 59 3.464 10.753 -6.947 1.00 0.00 C ATOM 252 OE1 GLN A 59 4.534 10.177 -7.093 1.00 0.00 O ATOM 253 NE2 GLN A 59 2.617 10.850 -7.944 1.00 0.00 N ATOM 0 H GLN A 59 3.147 8.212 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 59 1.281 9.400 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.022 10.971 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.226 10.074 -4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.944 11.616 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.548 12.270 -5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.728 11.332 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.848 10.443 -8.851 1.00 0.00 H new ATOM 254 N LEU A 60 2.282 8.033 -6.512 1.00 0.00 N ATOM 255 CA LEU A 60 2.831 7.112 -7.512 1.00 0.00 C ATOM 256 C LEU A 60 3.521 7.700 -8.726 1.00 0.00 C ATOM 257 O LEU A 60 2.976 8.426 -9.554 1.00 0.00 O ATOM 258 CB LEU A 60 1.968 5.916 -7.956 1.00 0.00 C ATOM 259 CG LEU A 60 0.456 6.062 -8.078 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.128 5.810 -6.691 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.046 7.349 -8.751 1.00 0.00 C ATOM 0 H LEU A 60 1.492 8.600 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 60 3.607 6.724 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.340 5.593 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.158 5.103 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 60 0.092 5.319 -8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.213 5.904 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.137 4.805 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.274 6.540 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.136 7.342 -8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.296 8.214 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.345 7.405 -9.767 1.00 0.00 H new ATOM 262 N SER A 61 4.712 7.147 -8.842 1.00 0.00 N ATOM 263 CA SER A 61 5.616 7.348 -9.982 1.00 0.00 C ATOM 264 C SER A 61 5.566 6.105 -10.884 1.00 0.00 C ATOM 265 O SER A 61 6.307 5.135 -10.738 1.00 0.00 O ATOM 266 CB SER A 61 7.021 7.554 -9.471 1.00 0.00 C ATOM 267 OG SER A 61 7.077 8.710 -8.612 1.00 0.00 O ATOM 0 H SER A 61 5.098 6.526 -8.131 1.00 0.00 H new ATOM 0 HA SER A 61 5.310 8.224 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.350 6.670 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.705 7.682 -10.310 1.00 0.00 H new ATOM 0 HG SER A 61 7.993 8.831 -8.286 1.00 0.00 H new ATOM 268 N ALA A 62 4.387 6.006 -11.464 1.00 0.00 N ATOM 269 CA ALA A 62 4.053 4.961 -12.456 1.00 0.00 C ATOM 270 C ALA A 62 4.940 4.995 -13.694 1.00 0.00 C ATOM 271 O ALA A 62 4.933 5.914 -14.512 1.00 0.00 O ATOM 272 CB ALA A 62 2.569 5.014 -12.824 1.00 0.00 C ATOM 0 H ALA A 62 3.616 6.645 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 62 4.256 4.004 -11.976 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.347 4.236 -13.555 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.966 4.854 -11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.334 5.990 -13.250 1.00 0.00 H new ATOM 273 N GLU A 63 5.723 3.929 -13.732 1.00 0.00 N ATOM 274 CA GLU A 63 6.770 3.702 -14.749 1.00 0.00 C ATOM 275 C GLU A 63 6.221 3.298 -16.127 1.00 0.00 C ATOM 276 O GLU A 63 6.731 3.705 -17.162 1.00 0.00 O ATOM 277 CB GLU A 63 7.657 2.581 -14.206 1.00 0.00 C ATOM 278 CG GLU A 63 8.955 2.417 -14.999 1.00 0.00 C ATOM 279 CD GLU A 63 9.876 3.625 -14.798 1.00 0.00 C ATOM 280 OE1 GLU A 63 10.319 3.802 -13.646 1.00 0.00 O ATOM 281 OE2 GLU A 63 10.109 4.345 -15.797 1.00 0.00 O ATOM 0 H GLU A 63 5.657 3.175 -13.049 1.00 0.00 H new ATOM 0 HA GLU A 63 7.309 4.636 -14.912 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.897 2.787 -13.163 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.103 1.643 -14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.467 1.508 -14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.726 2.302 -16.058 1.00 0.00 H new ATOM 282 N SER A 64 5.177 2.474 -16.080 1.00 0.00 N ATOM 283 CA SER A 64 4.742 1.641 -17.221 1.00 0.00 C ATOM 284 C SER A 64 3.263 1.262 -17.061 1.00 0.00 C ATOM 285 O SER A 64 2.621 1.701 -16.107 1.00 0.00 O ATOM 286 CB SER A 64 5.663 0.410 -17.206 1.00 0.00 C ATOM 287 OG SER A 64 5.490 -0.401 -18.372 1.00 0.00 O ATOM 0 H SER A 64 4.599 2.358 -15.248 1.00 0.00 H new ATOM 0 HA SER A 64 4.818 2.162 -18.175 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.701 0.735 -17.141 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.458 -0.185 -16.316 1.00 0.00 H new ATOM 0 HG SER A 64 5.066 -1.248 -18.121 1.00 0.00 H new ATOM 288 N VAL A 65 2.776 0.323 -17.875 1.00 0.00 N ATOM 289 CA VAL A 65 1.365 -0.105 -17.977 1.00 0.00 C ATOM 290 C VAL A 65 0.803 -0.610 -16.631 1.00 0.00 C ATOM 291 O VAL A 65 1.165 -1.668 -16.114 1.00 0.00 O ATOM 292 CB VAL A 65 1.243 -1.110 -19.140 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.019 -2.414 -18.898 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.220 -1.400 -19.470 1.00 0.00 C ATOM 0 H VAL A 65 3.380 -0.190 -18.517 1.00 0.00 H new ATOM 0 HA VAL A 65 0.730 0.750 -18.209 1.00 0.00 H new ATOM 0 HB VAL A 65 1.706 -0.631 -20.002 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.892 -3.077 -19.753 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.078 -2.189 -18.768 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.639 -2.902 -18.001 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.273 -2.112 -20.294 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.714 -1.821 -18.594 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.718 -0.474 -19.758 1.00 0.00 H new ATOM 295 N GLY A 66 0.128 0.326 -15.969 1.00 0.00 N ATOM 296 CA GLY A 66 -0.434 0.169 -14.600 1.00 0.00 C ATOM 297 C GLY A 66 0.616 0.249 -13.483 1.00 0.00 C ATOM 298 O GLY A 66 0.352 0.742 -12.393 1.00 0.00 O ATOM 0 H GLY A 66 -0.057 1.246 -16.368 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.185 0.942 -14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.946 -0.791 -14.536 1.00 0.00 H new ATOM 299 N GLU A 67 1.821 -0.189 -13.807 1.00 0.00 N ATOM 300 CA GLU A 67 2.982 -0.370 -12.934 1.00 0.00 C ATOM 301 C GLU A 67 3.478 0.929 -12.257 1.00 0.00 C ATOM 302 O GLU A 67 4.116 1.763 -12.888 1.00 0.00 O ATOM 303 CB GLU A 67 4.074 -0.947 -13.824 1.00 0.00 C ATOM 304 CG GLU A 67 3.755 -2.348 -14.325 1.00 0.00 C ATOM 305 CD GLU A 67 4.658 -2.751 -15.490 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.846 -3.058 -15.220 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.166 -2.684 -16.639 1.00 0.00 O ATOM 0 H GLU A 67 2.036 -0.451 -14.769 1.00 0.00 H new ATOM 0 HA GLU A 67 2.709 -1.022 -12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.225 -0.287 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.012 -0.970 -13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.873 -3.062 -13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.713 -2.393 -14.640 1.00 0.00 H new ATOM 308 N VAL A 68 3.348 0.938 -10.935 1.00 0.00 N ATOM 309 CA VAL A 68 3.640 2.113 -10.085 1.00 0.00 C ATOM 310 C VAL A 68 4.796 1.873 -9.113 1.00 0.00 C ATOM 311 O VAL A 68 4.859 0.838 -8.456 1.00 0.00 O ATOM 312 CB VAL A 68 2.435 2.619 -9.250 1.00 0.00 C ATOM 313 CG1 VAL A 68 1.050 2.308 -9.759 1.00 0.00 C ATOM 314 CG2 VAL A 68 2.241 1.952 -7.911 1.00 0.00 C ATOM 0 H VAL A 68 3.034 0.125 -10.406 1.00 0.00 H new ATOM 0 HA VAL A 68 3.907 2.876 -10.817 1.00 0.00 H new ATOM 0 HB VAL A 68 2.726 3.669 -9.263 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.309 2.723 -9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.918 2.748 -10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.920 1.228 -9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.372 2.382 -7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.084 0.883 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.126 2.108 -7.295 1.00 0.00 H new ATOM 315 N TYR A 69 5.571 2.918 -8.885 1.00 0.00 N ATOM 316 CA TYR A 69 6.452 2.970 -7.722 1.00 0.00 C ATOM 317 C TYR A 69 5.846 3.926 -6.699 1.00 0.00 C ATOM 318 O TYR A 69 5.619 5.097 -7.013 1.00 0.00 O ATOM 319 CB TYR A 69 7.847 3.491 -8.076 1.00 0.00 C ATOM 320 CG TYR A 69 8.651 2.518 -8.928 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.909 1.219 -8.431 1.00 0.00 C ATOM 322 CD2 TYR A 69 9.198 2.974 -10.149 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.738 0.356 -9.171 1.00 0.00 C ATOM 324 CE2 TYR A 69 10.024 2.114 -10.881 1.00 0.00 C ATOM 325 CZ TYR A 69 10.285 0.812 -10.392 1.00 0.00 C ATOM 326 OH TYR A 69 11.043 -0.033 -11.129 1.00 0.00 O ATOM 0 H TYR A 69 5.612 3.742 -9.485 1.00 0.00 H new ATOM 0 HA TYR A 69 6.549 1.956 -7.333 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.750 4.437 -8.609 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.395 3.698 -7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.476 0.894 -7.497 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.982 3.969 -10.510 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.953 -0.639 -8.812 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.460 2.442 -11.813 1.00 0.00 H new ATOM 0 HH TYR A 69 11.347 0.424 -11.941 1.00 0.00 H new ATOM 327 N ILE A 70 5.413 3.370 -5.559 1.00 0.00 N ATOM 328 CA ILE A 70 4.763 4.219 -4.542 1.00 0.00 C ATOM 329 C ILE A 70 5.790 4.866 -3.607 1.00 0.00 C ATOM 330 O ILE A 70 6.141 4.376 -2.541 1.00 0.00 O ATOM 331 CB ILE A 70 3.563 3.595 -3.816 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.583 3.096 -4.882 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.854 4.646 -2.963 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.331 2.351 -4.417 1.00 0.00 C ATOM 0 H ILE A 70 5.493 2.382 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 70 4.291 5.022 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 70 3.903 2.784 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.261 3.957 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.131 2.438 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.005 4.189 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.549 5.044 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.501 5.456 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.737 2.062 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.623 1.459 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.739 3.001 -3.772 1.00 0.00 H new ATOM 335 N LYS A 71 5.962 6.125 -3.983 1.00 0.00 N ATOM 336 CA LYS A 71 6.841 7.094 -3.334 1.00 0.00 C ATOM 337 C LYS A 71 6.010 7.880 -2.317 1.00 0.00 C ATOM 338 O LYS A 71 5.170 8.739 -2.631 1.00 0.00 O ATOM 339 CB LYS A 71 7.445 7.912 -4.474 1.00 0.00 C ATOM 340 CG LYS A 71 8.613 8.751 -3.960 1.00 0.00 C ATOM 341 CD LYS A 71 8.088 10.076 -3.434 1.00 0.00 C ATOM 342 CE LYS A 71 9.256 10.857 -2.875 1.00 0.00 C ATOM 343 NZ LYS A 71 9.355 12.063 -3.692 1.00 0.00 N ATOM 0 H LYS A 71 5.471 6.519 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 71 7.663 6.671 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.787 7.247 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.685 8.561 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.140 8.216 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.332 8.924 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.603 10.637 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.338 9.908 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.093 11.107 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.176 10.274 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.147 12.647 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.519 11.798 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.470 12.605 -3.620 1.00 0.00 H new ATOM 344 N SER A 72 6.275 7.531 -1.076 1.00 0.00 N ATOM 345 CA SER A 72 5.492 7.956 0.097 1.00 0.00 C ATOM 346 C SER A 72 5.904 9.346 0.588 1.00 0.00 C ATOM 347 O SER A 72 6.703 9.507 1.514 1.00 0.00 O ATOM 348 CB SER A 72 5.712 6.921 1.197 1.00 0.00 C ATOM 349 OG SER A 72 5.750 5.613 0.618 1.00 0.00 O ATOM 0 H SER A 72 7.060 6.927 -0.834 1.00 0.00 H new ATOM 0 HA SER A 72 4.439 8.021 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.645 7.125 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.911 6.981 1.934 1.00 0.00 H new ATOM 0 HG SER A 72 6.594 5.174 0.856 1.00 0.00 H new ATOM 350 N THR A 73 5.487 10.321 -0.206 1.00 0.00 N ATOM 351 CA THR A 73 5.624 11.784 -0.011 1.00 0.00 C ATOM 352 C THR A 73 6.612 12.242 1.085 1.00 0.00 C ATOM 353 O THR A 73 7.812 12.303 0.835 1.00 0.00 O ATOM 354 CB THR A 73 4.230 12.439 0.156 1.00 0.00 C ATOM 355 OG1 THR A 73 3.577 11.971 1.336 1.00 0.00 O ATOM 356 CG2 THR A 73 3.339 12.259 -1.072 1.00 0.00 C ATOM 0 H THR A 73 5.003 10.108 -1.078 1.00 0.00 H new ATOM 0 HA THR A 73 6.095 12.142 -0.927 1.00 0.00 H new ATOM 0 HB THR A 73 4.404 13.510 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.591 10.991 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.376 12.739 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.818 12.714 -1.939 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.186 11.196 -1.258 1.00 0.00 H new ATOM 357 N GLU A 74 6.112 12.287 2.317 1.00 0.00 N ATOM 358 CA GLU A 74 6.782 12.840 3.509 1.00 0.00 C ATOM 359 C GLU A 74 7.948 12.030 4.089 1.00 0.00 C ATOM 360 O GLU A 74 8.675 12.520 4.953 1.00 0.00 O ATOM 361 CB GLU A 74 5.672 13.103 4.514 1.00 0.00 C ATOM 362 CG GLU A 74 4.815 14.290 4.067 1.00 0.00 C ATOM 363 CD GLU A 74 3.575 14.482 4.934 1.00 0.00 C ATOM 364 OE1 GLU A 74 3.698 15.245 5.922 1.00 0.00 O ATOM 365 OE2 GLU A 74 2.508 13.974 4.527 1.00 0.00 O ATOM 0 H GLU A 74 5.183 11.923 2.530 1.00 0.00 H new ATOM 0 HA GLU A 74 7.310 13.749 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.048 12.215 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.102 13.306 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.417 15.198 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.509 14.142 3.031 1.00 0.00 H new ATOM 366 N THR A 75 8.025 10.756 3.711 1.00 0.00 N ATOM 367 CA THR A 75 9.165 9.857 4.049 1.00 0.00 C ATOM 368 C THR A 75 10.066 9.541 2.851 1.00 0.00 C ATOM 369 O THR A 75 11.216 9.150 3.040 1.00 0.00 O ATOM 370 CB THR A 75 8.677 8.512 4.602 1.00 0.00 C ATOM 371 OG1 THR A 75 7.262 8.511 4.804 1.00 0.00 O ATOM 372 CG2 THR A 75 9.420 8.179 5.903 1.00 0.00 C ATOM 0 H THR A 75 7.301 10.299 3.157 1.00 0.00 H new ATOM 0 HA THR A 75 9.735 10.410 4.796 1.00 0.00 H new ATOM 0 HB THR A 75 8.897 7.739 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.013 7.749 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.067 7.222 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.490 8.118 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.231 8.959 6.640 1.00 0.00 H new ATOM 373 N GLY A 76 9.486 9.567 1.644 1.00 0.00 N ATOM 374 CA GLY A 76 10.081 9.085 0.376 1.00 0.00 C ATOM 375 C GLY A 76 9.972 7.563 0.292 1.00 0.00 C ATOM 376 O GLY A 76 9.244 7.050 -0.552 1.00 0.00 O ATOM 0 H GLY A 76 8.546 9.940 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.570 9.542 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.127 9.387 0.318 1.00 0.00 H new ATOM 377 N GLN A 77 10.598 6.924 1.292 1.00 0.00 N ATOM 378 CA GLN A 77 10.623 5.454 1.523 1.00 0.00 C ATOM 379 C GLN A 77 9.390 4.736 0.964 1.00 0.00 C ATOM 380 O GLN A 77 8.244 5.002 1.306 1.00 0.00 O ATOM 381 CB GLN A 77 10.791 5.137 3.011 1.00 0.00 C ATOM 382 CG GLN A 77 12.159 5.564 3.525 1.00 0.00 C ATOM 383 CD GLN A 77 12.364 5.137 4.979 1.00 0.00 C ATOM 384 OE1 GLN A 77 12.276 3.978 5.355 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.817 6.054 5.802 1.00 0.00 N ATOM 0 H GLN A 77 11.128 7.433 2.000 1.00 0.00 H new ATOM 0 HA GLN A 77 11.486 5.076 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.013 5.644 3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.659 4.067 3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.938 5.125 2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.259 6.646 3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.893 7.023 5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.093 5.797 6.750 1.00 0.00 H new ATOM 386 N TYR A 78 9.715 3.950 -0.049 1.00 0.00 N ATOM 387 CA TYR A 78 8.721 3.358 -0.950 1.00 0.00 C ATOM 388 C TYR A 78 7.952 2.205 -0.316 1.00 0.00 C ATOM 389 O TYR A 78 8.489 1.418 0.478 1.00 0.00 O ATOM 390 CB TYR A 78 9.414 2.864 -2.214 1.00 0.00 C ATOM 391 CG TYR A 78 10.025 3.955 -3.089 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.170 4.642 -2.602 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.474 4.244 -4.355 1.00 0.00 C ATOM 394 CE1 TYR A 78 11.749 5.657 -3.378 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.066 5.246 -5.144 1.00 0.00 C ATOM 396 CZ TYR A 78 11.192 5.938 -4.643 1.00 0.00 C ATOM 397 OH TYR A 78 11.687 6.974 -5.366 1.00 0.00 O ATOM 0 H TYR A 78 10.677 3.699 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 78 7.997 4.139 -1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.201 2.166 -1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.693 2.304 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.591 4.384 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.610 3.704 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.602 6.211 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.666 5.483 -6.119 1.00 0.00 H new ATOM 0 HH TYR A 78 11.202 7.042 -6.215 1.00 0.00 H new ATOM 398 N LEU A 79 6.676 2.162 -0.669 1.00 0.00 N ATOM 399 CA LEU A 79 5.822 1.020 -0.358 1.00 0.00 C ATOM 400 C LEU A 79 6.277 -0.166 -1.218 1.00 0.00 C ATOM 401 O LEU A 79 6.444 -0.050 -2.431 1.00 0.00 O ATOM 402 CB LEU A 79 4.370 1.375 -0.676 1.00 0.00 C ATOM 403 CG LEU A 79 3.365 0.342 -0.143 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.338 0.335 1.375 1.00 0.00 C ATOM 405 CD2 LEU A 79 2.013 0.754 -0.697 1.00 0.00 C ATOM 0 H LEU A 79 6.204 2.911 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 79 5.896 0.760 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.139 2.351 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.252 1.464 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 79 3.638 -0.667 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.618 -0.406 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.328 0.085 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.048 1.321 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.250 0.055 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.768 1.758 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.048 0.745 -1.786 1.00 0.00 H new ATOM 406 N ALA A 80 6.640 -1.211 -0.505 1.00 0.00 N ATOM 407 CA ALA A 80 7.166 -2.455 -1.096 1.00 0.00 C ATOM 408 C ALA A 80 6.533 -3.653 -0.378 1.00 0.00 C ATOM 409 O ALA A 80 6.083 -3.507 0.753 1.00 0.00 O ATOM 410 CB ALA A 80 8.673 -2.471 -0.880 1.00 0.00 C ATOM 0 H ALA A 80 6.583 -1.236 0.513 1.00 0.00 H new ATOM 0 HA ALA A 80 6.934 -2.510 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.092 -3.382 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.119 -1.603 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.888 -2.439 0.188 1.00 0.00 H new ATOM 411 N MET A 81 6.600 -4.822 -1.001 1.00 0.00 N ATOM 412 CA MET A 81 6.098 -6.056 -0.361 1.00 0.00 C ATOM 413 C MET A 81 7.109 -7.193 -0.455 1.00 0.00 C ATOM 414 O MET A 81 7.895 -7.282 -1.397 1.00 0.00 O ATOM 415 CB MET A 81 4.703 -6.415 -0.910 1.00 0.00 C ATOM 416 CG MET A 81 4.172 -7.720 -0.308 1.00 0.00 C ATOM 417 SD MET A 81 2.375 -7.827 0.023 1.00 0.00 S ATOM 418 CE MET A 81 1.639 -6.975 -1.364 1.00 0.00 C ATOM 0 H MET A 81 6.989 -4.954 -1.935 1.00 0.00 H new ATOM 0 HA MET A 81 5.975 -5.875 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.007 -5.605 -0.692 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.753 -6.509 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.439 -8.534 -0.981 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.698 -7.896 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.557 -7.104 -1.338 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.880 -5.913 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.031 -7.387 -2.294 1.00 0.00 H new ATOM 419 N ASP A 82 7.186 -7.881 0.678 1.00 0.00 N ATOM 420 CA ASP A 82 8.060 -9.044 0.829 1.00 0.00 C ATOM 421 C ASP A 82 7.288 -10.356 0.919 1.00 0.00 C ATOM 422 O ASP A 82 6.194 -10.408 1.480 1.00 0.00 O ATOM 423 CB ASP A 82 9.010 -8.889 2.019 1.00 0.00 C ATOM 424 CG ASP A 82 8.338 -8.556 3.353 1.00 0.00 C ATOM 425 OD1 ASP A 82 7.912 -9.541 3.999 1.00 0.00 O ATOM 426 OD2 ASP A 82 8.283 -7.355 3.699 1.00 0.00 O ATOM 0 H ASP A 82 6.649 -7.653 1.515 1.00 0.00 H new ATOM 0 HA ASP A 82 8.659 -9.089 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.574 -9.815 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.730 -8.104 1.788 1.00 0.00 H new ATOM 427 N THR A 83 8.043 -11.389 0.578 1.00 0.00 N ATOM 428 CA THR A 83 7.604 -12.803 0.513 1.00 0.00 C ATOM 429 C THR A 83 6.834 -13.340 1.738 1.00 0.00 C ATOM 430 O THR A 83 5.992 -14.209 1.577 1.00 0.00 O ATOM 431 CB THR A 83 8.805 -13.718 0.227 1.00 0.00 C ATOM 432 OG1 THR A 83 9.944 -13.251 0.943 1.00 0.00 O ATOM 433 CG2 THR A 83 9.077 -13.812 -1.273 1.00 0.00 C ATOM 0 H THR A 83 9.025 -11.276 0.325 1.00 0.00 H new ATOM 0 HA THR A 83 6.880 -12.816 -0.302 1.00 0.00 H new ATOM 0 HB THR A 83 8.575 -14.727 0.570 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.708 -13.837 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.932 -14.465 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.200 -14.219 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.293 -12.819 -1.666 1.00 0.00 H new ATOM 434 N ASP A 84 7.107 -12.773 2.906 1.00 0.00 N ATOM 435 CA ASP A 84 6.411 -13.093 4.171 1.00 0.00 C ATOM 436 C ASP A 84 4.934 -12.651 4.271 1.00 0.00 C ATOM 437 O ASP A 84 4.295 -12.882 5.296 1.00 0.00 O ATOM 438 CB ASP A 84 7.255 -12.530 5.314 1.00 0.00 C ATOM 439 CG ASP A 84 7.031 -13.278 6.629 1.00 0.00 C ATOM 440 OD1 ASP A 84 7.392 -14.476 6.662 1.00 0.00 O ATOM 441 OD2 ASP A 84 6.640 -12.611 7.611 1.00 0.00 O ATOM 0 H ASP A 84 7.831 -12.062 3.015 1.00 0.00 H new ATOM 0 HA ASP A 84 6.328 -14.179 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.310 -12.584 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.015 -11.476 5.454 1.00 0.00 H new ATOM 442 N GLY A 85 4.445 -11.916 3.267 1.00 0.00 N ATOM 443 CA GLY A 85 3.036 -11.487 3.192 1.00 0.00 C ATOM 444 C GLY A 85 2.776 -10.240 4.025 1.00 0.00 C ATOM 445 O GLY A 85 1.842 -10.193 4.824 1.00 0.00 O ATOM 0 H GLY A 85 5.012 -11.599 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.771 -11.291 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.392 -12.295 3.538 1.00 0.00 H new ATOM 446 N LEU A 86 3.603 -9.241 3.727 1.00 0.00 N ATOM 447 CA LEU A 86 3.635 -7.947 4.424 1.00 0.00 C ATOM 448 C LEU A 86 4.475 -6.919 3.660 1.00 0.00 C ATOM 449 O LEU A 86 5.314 -7.254 2.818 1.00 0.00 O ATOM 450 CB LEU A 86 4.051 -8.142 5.890 1.00 0.00 C ATOM 451 CG LEU A 86 5.460 -8.702 6.038 1.00 0.00 C ATOM 452 CD1 LEU A 86 6.364 -7.524 6.391 1.00 0.00 C ATOM 453 CD2 LEU A 86 5.503 -9.752 7.142 1.00 0.00 C ATOM 0 H LEU A 86 4.289 -9.305 2.975 1.00 0.00 H new ATOM 0 HA LEU A 86 2.631 -7.524 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.989 -7.186 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.345 -8.815 6.376 1.00 0.00 H new ATOM 0 HG LEU A 86 5.787 -9.185 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.389 -7.875 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.323 -6.782 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.026 -7.073 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.517 -10.142 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.201 -9.300 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.822 -10.567 6.896 1.00 0.00 H new ATOM 454 N LEU A 87 4.152 -5.667 3.966 1.00 0.00 N ATOM 455 CA LEU A 87 4.667 -4.476 3.279 1.00 0.00 C ATOM 456 C LEU A 87 5.776 -3.839 4.132 1.00 0.00 C ATOM 457 O LEU A 87 5.610 -3.613 5.336 1.00 0.00 O ATOM 458 CB LEU A 87 3.574 -3.409 3.038 1.00 0.00 C ATOM 459 CG LEU A 87 2.184 -3.968 2.747 1.00 0.00 C ATOM 460 CD1 LEU A 87 1.142 -2.855 2.772 1.00 0.00 C ATOM 461 CD2 LEU A 87 2.145 -4.773 1.455 1.00 0.00 C ATOM 0 H LEU A 87 3.505 -5.440 4.721 1.00 0.00 H new ATOM 0 HA LEU A 87 5.043 -4.804 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.515 -2.766 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.879 -2.780 2.202 1.00 0.00 H new ATOM 0 HG LEU A 87 1.934 -4.671 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.158 -3.273 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.135 -2.385 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.388 -2.109 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.135 -5.150 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.434 -4.135 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.838 -5.611 1.528 1.00 0.00 H new ATOM 462 N TYR A 88 6.872 -3.536 3.452 1.00 0.00 N ATOM 463 CA TYR A 88 8.042 -2.869 4.033 1.00 0.00 C ATOM 464 C TYR A 88 8.355 -1.549 3.310 1.00 0.00 C ATOM 465 O TYR A 88 8.253 -1.479 2.084 1.00 0.00 O ATOM 466 CB TYR A 88 9.290 -3.764 4.079 1.00 0.00 C ATOM 467 CG TYR A 88 9.867 -4.203 2.734 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.053 -4.890 1.806 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.265 -4.085 2.537 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.635 -5.470 0.673 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.848 -4.679 1.410 1.00 0.00 C ATOM 472 CZ TYR A 88 11.024 -5.357 0.487 1.00 0.00 C ATOM 473 OH TYR A 88 11.560 -5.864 -0.644 1.00 0.00 O ATOM 0 H TYR A 88 6.981 -3.749 2.460 1.00 0.00 H new ATOM 0 HA TYR A 88 7.773 -2.648 5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.069 -3.234 4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.047 -4.658 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.988 -4.967 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.874 -3.544 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.026 -5.996 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.914 -4.619 1.250 1.00 0.00 H new ATOM 0 HH TYR A 88 12.529 -5.716 -0.642 1.00 0.00 H new ATOM 474 N GLY A 89 8.848 -0.604 4.101 1.00 0.00 N ATOM 475 CA GLY A 89 9.194 0.748 3.633 1.00 0.00 C ATOM 476 C GLY A 89 10.570 0.821 2.965 1.00 0.00 C ATOM 477 O GLY A 89 11.453 1.565 3.389 1.00 0.00 O ATOM 0 H GLY A 89 9.023 -0.748 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.436 1.086 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.171 1.435 4.479 1.00 0.00 H new ATOM 478 N SER A 90 10.708 0.022 1.907 1.00 0.00 N ATOM 479 CA SER A 90 11.947 -0.108 1.116 1.00 0.00 C ATOM 480 C SER A 90 12.348 1.179 0.389 1.00 0.00 C ATOM 481 O SER A 90 11.682 1.629 -0.539 1.00 0.00 O ATOM 482 CB SER A 90 11.828 -1.293 0.148 1.00 0.00 C ATOM 483 OG SER A 90 12.765 -1.225 -0.930 1.00 0.00 O ATOM 0 H SER A 90 9.950 -0.568 1.563 1.00 0.00 H new ATOM 0 HA SER A 90 12.757 -0.301 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.981 -2.222 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.817 -1.325 -0.257 1.00 0.00 H new ATOM 0 HG SER A 90 12.354 -0.767 -1.692 1.00 0.00 H new ATOM 484 N GLN A 91 13.548 1.626 0.729 1.00 0.00 N ATOM 485 CA GLN A 91 14.248 2.771 0.110 1.00 0.00 C ATOM 486 C GLN A 91 14.376 2.609 -1.411 1.00 0.00 C ATOM 487 O GLN A 91 14.299 3.562 -2.186 1.00 0.00 O ATOM 488 CB GLN A 91 15.659 2.854 0.693 1.00 0.00 C ATOM 489 CG GLN A 91 15.743 3.155 2.206 1.00 0.00 C ATOM 490 CD GLN A 91 15.272 1.994 3.085 1.00 0.00 C ATOM 491 OE1 GLN A 91 15.502 0.820 2.820 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.525 2.307 4.111 1.00 0.00 N ATOM 0 H GLN A 91 14.094 1.191 1.473 1.00 0.00 H new ATOM 0 HA GLN A 91 13.668 3.670 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.168 1.909 0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.209 3.627 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.773 3.401 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 91 15.141 4.036 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.338 3.286 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.129 1.572 4.697 1.00 0.00 H new ATOM 493 N THR A 92 14.717 1.373 -1.774 1.00 0.00 N ATOM 494 CA THR A 92 14.824 0.865 -3.144 1.00 0.00 C ATOM 495 C THR A 92 13.454 0.675 -3.807 1.00 0.00 C ATOM 496 O THR A 92 12.551 0.083 -3.199 1.00 0.00 O ATOM 497 CB THR A 92 15.508 -0.517 -3.160 1.00 0.00 C ATOM 498 OG1 THR A 92 15.326 -1.204 -1.911 1.00 0.00 O ATOM 499 CG2 THR A 92 16.975 -0.389 -3.551 1.00 0.00 C ATOM 0 H THR A 92 14.939 0.658 -1.082 1.00 0.00 H new ATOM 0 HA THR A 92 15.403 1.611 -3.689 1.00 0.00 H new ATOM 0 HB THR A 92 15.028 -1.131 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.403 -1.086 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.438 -1.376 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.049 0.052 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.489 0.249 -2.832 1.00 0.00 H new ATOM 500 N PRO A 93 13.312 1.145 -5.044 1.00 0.00 N ATOM 501 CA PRO A 93 12.212 0.708 -5.882 1.00 0.00 C ATOM 502 C PRO A 93 12.597 -0.423 -6.832 1.00 0.00 C ATOM 503 O PRO A 93 13.527 -0.338 -7.627 1.00 0.00 O ATOM 504 CB PRO A 93 11.705 1.924 -6.630 1.00 0.00 C ATOM 505 CG PRO A 93 12.957 2.790 -6.772 1.00 0.00 C ATOM 506 CD PRO A 93 13.837 2.414 -5.567 1.00 0.00 C ATOM 0 HA PRO A 93 11.426 0.286 -5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.288 1.655 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.919 2.439 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.470 2.592 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.707 3.851 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.880 2.308 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.802 3.192 -4.804 1.00 0.00 H new ATOM 507 N ASN A 94 12.067 -1.566 -6.449 1.00 0.00 N ATOM 508 CA ASN A 94 12.187 -2.832 -7.185 1.00 0.00 C ATOM 509 C ASN A 94 10.789 -3.276 -7.624 1.00 0.00 C ATOM 510 O ASN A 94 9.791 -2.624 -7.350 1.00 0.00 O ATOM 511 CB ASN A 94 12.867 -3.780 -6.182 1.00 0.00 C ATOM 512 CG ASN A 94 13.127 -5.190 -6.706 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.278 -6.076 -6.649 1.00 0.00 O ATOM 514 ND2 ASN A 94 14.299 -5.414 -7.247 1.00 0.00 N ATOM 0 H ASN A 94 11.522 -1.655 -5.592 1.00 0.00 H new ATOM 0 HA ASN A 94 12.773 -2.785 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.816 -3.341 -5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.245 -3.849 -5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.517 -6.335 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.993 -4.668 -7.287 1.00 0.00 H new ATOM 515 N GLU A 95 10.704 -4.444 -8.264 1.00 0.00 N ATOM 516 CA GLU A 95 9.438 -5.155 -8.579 1.00 0.00 C ATOM 517 C GLU A 95 8.478 -5.253 -7.384 1.00 0.00 C ATOM 518 O GLU A 95 7.268 -5.309 -7.543 1.00 0.00 O ATOM 519 CB GLU A 95 9.821 -6.598 -8.915 1.00 0.00 C ATOM 520 CG GLU A 95 10.811 -6.686 -10.083 1.00 0.00 C ATOM 521 CD GLU A 95 11.389 -8.101 -10.210 1.00 0.00 C ATOM 522 OE1 GLU A 95 10.601 -9.000 -10.566 1.00 0.00 O ATOM 523 OE2 GLU A 95 12.597 -8.230 -9.924 1.00 0.00 O ATOM 0 H GLU A 95 11.530 -4.945 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 95 8.942 -4.606 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.260 -7.068 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.921 -7.161 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.310 -6.410 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.620 -5.971 -9.933 1.00 0.00 H new ATOM 524 N GLU A 96 9.085 -5.498 -6.229 1.00 0.00 N ATOM 525 CA GLU A 96 8.434 -5.488 -4.899 1.00 0.00 C ATOM 526 C GLU A 96 7.655 -4.201 -4.608 1.00 0.00 C ATOM 527 O GLU A 96 6.498 -4.246 -4.182 1.00 0.00 O ATOM 528 CB GLU A 96 9.539 -5.705 -3.862 1.00 0.00 C ATOM 529 CG GLU A 96 10.043 -7.155 -4.021 1.00 0.00 C ATOM 530 CD GLU A 96 10.958 -7.646 -2.895 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.162 -7.312 -2.992 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.493 -8.493 -2.113 1.00 0.00 O ATOM 0 H GLU A 96 10.080 -5.718 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 96 7.686 -6.280 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.353 -4.997 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.158 -5.540 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.181 -7.819 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.579 -7.236 -4.967 1.00 0.00 H new ATOM 533 N CYS A 97 8.273 -3.091 -5.017 1.00 0.00 N ATOM 534 CA CYS A 97 7.719 -1.732 -4.883 1.00 0.00 C ATOM 535 C CYS A 97 6.821 -1.380 -6.085 1.00 0.00 C ATOM 536 O CYS A 97 6.102 -0.377 -6.046 1.00 0.00 O ATOM 537 CB CYS A 97 8.938 -0.817 -4.842 1.00 0.00 C ATOM 538 SG CYS A 97 8.540 0.956 -4.706 1.00 0.00 S ATOM 0 H CYS A 97 9.192 -3.107 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 97 7.095 -1.633 -3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.564 -1.103 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.528 -0.977 -5.744 1.00 0.00 H new ATOM 0 HG CYS A 97 7.350 1.172 -5.184 1.00 0.00 H new ATOM 539 N LEU A 98 7.088 -2.056 -7.192 1.00 0.00 N ATOM 540 CA LEU A 98 6.297 -1.930 -8.406 1.00 0.00 C ATOM 541 C LEU A 98 4.960 -2.642 -8.284 1.00 0.00 C ATOM 542 O LEU A 98 4.847 -3.770 -7.828 1.00 0.00 O ATOM 543 CB LEU A 98 7.081 -2.316 -9.672 1.00 0.00 C ATOM 544 CG LEU A 98 6.530 -1.520 -10.865 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.617 -0.036 -10.628 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.474 -1.624 -12.042 1.00 0.00 C ATOM 0 H LEU A 98 7.865 -2.712 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 98 6.069 -0.871 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.142 -2.105 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.990 -3.386 -9.859 1.00 0.00 H new ATOM 0 HG LEU A 98 5.522 -1.906 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.218 0.495 -11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.037 0.226 -9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.658 0.248 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.073 -1.056 -12.881 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.448 -1.222 -11.764 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.582 -2.670 -12.330 1.00 0.00 H new ATOM 547 N PHE A 99 3.993 -1.752 -8.350 1.00 0.00 N ATOM 548 CA PHE A 99 2.591 -2.098 -8.167 1.00 0.00 C ATOM 549 C PHE A 99 1.672 -1.896 -9.373 1.00 0.00 C ATOM 550 O PHE A 99 1.567 -0.800 -9.910 1.00 0.00 O ATOM 551 CB PHE A 99 1.977 -1.321 -6.998 1.00 0.00 C ATOM 552 CG PHE A 99 2.519 -1.731 -5.632 1.00 0.00 C ATOM 553 CD1 PHE A 99 2.206 -2.998 -5.097 1.00 0.00 C ATOM 554 CD2 PHE A 99 3.361 -0.839 -4.919 1.00 0.00 C ATOM 555 CE1 PHE A 99 2.762 -3.396 -3.854 1.00 0.00 C ATOM 556 CE2 PHE A 99 3.902 -1.227 -3.686 1.00 0.00 C ATOM 557 CZ PHE A 99 3.599 -2.503 -3.155 1.00 0.00 C ATOM 0 H PHE A 99 4.153 -0.761 -8.533 1.00 0.00 H new ATOM 0 HA PHE A 99 2.638 -3.171 -7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.159 -0.257 -7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.896 -1.464 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.545 -3.663 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.584 0.136 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.546 -4.373 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.548 -0.554 -3.142 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.014 -2.796 -2.202 1.00 0.00 H new ATOM 558 N LEU A 100 0.955 -2.951 -9.712 1.00 0.00 N ATOM 559 CA LEU A 100 0.000 -2.939 -10.834 1.00 0.00 C ATOM 560 C LEU A 100 -1.301 -2.248 -10.415 1.00 0.00 C ATOM 561 O LEU A 100 -2.020 -2.717 -9.537 1.00 0.00 O ATOM 562 CB LEU A 100 -0.263 -4.386 -11.255 1.00 0.00 C ATOM 563 CG LEU A 100 -0.358 -4.463 -12.780 1.00 0.00 C ATOM 564 CD1 LEU A 100 1.055 -4.561 -13.348 1.00 0.00 C ATOM 565 CD2 LEU A 100 -1.121 -5.721 -13.191 1.00 0.00 C ATOM 0 H LEU A 100 1.009 -3.846 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 100 0.413 -2.382 -11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.539 -5.032 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.188 -4.745 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.874 -3.579 -13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.007 -4.617 -14.436 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.627 -3.681 -13.055 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.542 -5.456 -12.960 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.185 -5.769 -14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.598 -6.602 -12.819 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.126 -5.691 -12.770 1.00 0.00 H new ATOM 566 N GLU A 101 -1.513 -1.077 -11.028 1.00 0.00 N ATOM 567 CA GLU A 101 -2.696 -0.254 -10.745 1.00 0.00 C ATOM 568 C GLU A 101 -3.966 -0.845 -11.343 1.00 0.00 C ATOM 569 O GLU A 101 -4.181 -0.940 -12.552 1.00 0.00 O ATOM 570 CB GLU A 101 -2.469 1.184 -11.184 1.00 0.00 C ATOM 571 CG GLU A 101 -3.462 2.136 -10.542 1.00 0.00 C ATOM 572 CD GLU A 101 -2.946 3.577 -10.596 1.00 0.00 C ATOM 573 OE1 GLU A 101 -3.182 4.237 -11.634 1.00 0.00 O ATOM 574 OE2 GLU A 101 -2.314 3.995 -9.589 1.00 0.00 O ATOM 0 H GLU A 101 -0.882 -0.678 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.845 -0.251 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.455 1.487 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.552 1.250 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.421 2.069 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.634 1.845 -9.506 1.00 0.00 H new ATOM 575 N ARG A 102 -4.695 -1.372 -10.378 1.00 0.00 N ATOM 576 CA ARG A 102 -6.015 -2.002 -10.507 1.00 0.00 C ATOM 577 C ARG A 102 -7.029 -0.974 -9.991 1.00 0.00 C ATOM 578 O ARG A 102 -6.919 -0.513 -8.856 1.00 0.00 O ATOM 579 CB ARG A 102 -6.023 -3.168 -9.520 1.00 0.00 C ATOM 580 CG ARG A 102 -5.059 -4.349 -9.746 1.00 0.00 C ATOM 581 CD ARG A 102 -5.420 -5.188 -10.973 1.00 0.00 C ATOM 582 NE ARG A 102 -6.723 -5.857 -10.811 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.778 -5.738 -11.615 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.799 -4.899 -12.642 1.00 0.00 N ATOM 585 NH2 ARG A 102 -8.878 -6.440 -11.376 1.00 0.00 N ATOM 0 H ARG A 102 -4.366 -1.377 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.236 -2.322 -11.525 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.818 -2.761 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.036 -3.571 -9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.045 -3.966 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.062 -4.987 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.446 -4.549 -11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.646 -5.936 -11.143 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.827 -6.472 -10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.987 -4.315 -12.840 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.627 -4.838 -13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.916 -7.072 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.686 -6.348 -11.992 1.00 0.00 H new ATOM 586 N LEU A 103 -8.018 -0.640 -10.811 1.00 0.00 N ATOM 587 CA LEU A 103 -9.029 0.357 -10.428 1.00 0.00 C ATOM 588 C LEU A 103 -10.455 -0.207 -10.482 1.00 0.00 C ATOM 589 O LEU A 103 -10.952 -0.633 -11.521 1.00 0.00 O ATOM 590 CB LEU A 103 -8.885 1.608 -11.314 1.00 0.00 C ATOM 591 CG LEU A 103 -9.803 2.796 -10.952 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.649 3.289 -9.513 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.545 3.932 -11.936 1.00 0.00 C ATOM 0 H LEU A 103 -8.148 -1.038 -11.741 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.852 0.635 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.850 1.946 -11.268 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.081 1.323 -12.348 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.831 2.441 -11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.328 4.124 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.887 2.479 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.622 3.616 -9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.187 4.778 -11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.501 4.239 -11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.762 3.592 -12.949 1.00 0.00 H new ATOM 594 N GLU A 104 -11.168 0.149 -9.417 1.00 0.00 N ATOM 595 CA GLU A 104 -12.572 -0.280 -9.192 1.00 0.00 C ATOM 596 C GLU A 104 -13.597 0.828 -9.495 1.00 0.00 C ATOM 597 O GLU A 104 -14.658 0.912 -8.875 1.00 0.00 O ATOM 598 CB GLU A 104 -12.736 -0.830 -7.766 1.00 0.00 C ATOM 599 CG GLU A 104 -12.100 -0.039 -6.622 1.00 0.00 C ATOM 600 CD GLU A 104 -12.775 1.309 -6.411 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.359 2.273 -7.087 1.00 0.00 O ATOM 602 OE2 GLU A 104 -13.715 1.363 -5.594 1.00 0.00 O ATOM 0 H GLU A 104 -10.800 0.745 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.784 -1.079 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.803 -0.917 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.324 -1.839 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.160 -0.621 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.042 0.115 -6.833 1.00 0.00 H new ATOM 603 N GLU A 105 -13.233 1.665 -10.463 1.00 0.00 N ATOM 604 CA GLU A 105 -13.923 2.905 -10.876 1.00 0.00 C ATOM 605 C GLU A 105 -14.165 3.999 -9.844 1.00 0.00 C ATOM 606 O GLU A 105 -13.699 5.110 -10.067 1.00 0.00 O ATOM 607 CB GLU A 105 -15.189 2.589 -11.681 1.00 0.00 C ATOM 608 CG GLU A 105 -15.060 3.304 -13.036 1.00 0.00 C ATOM 609 CD GLU A 105 -16.124 2.915 -14.061 1.00 0.00 C ATOM 610 OE1 GLU A 105 -17.308 2.757 -13.678 1.00 0.00 O ATOM 611 OE2 GLU A 105 -15.703 2.738 -15.223 1.00 0.00 O ATOM 0 H GLU A 105 -12.397 1.493 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.170 3.381 -11.504 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.296 1.514 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.077 2.930 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.109 4.380 -12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.076 3.090 -13.453 1.00 0.00 H new ATOM 612 N ASN A 106 -14.569 3.646 -8.628 1.00 0.00 N ATOM 613 CA ASN A 106 -14.916 4.619 -7.583 1.00 0.00 C ATOM 614 C ASN A 106 -13.721 5.193 -6.789 1.00 0.00 C ATOM 615 O ASN A 106 -13.722 5.280 -5.568 1.00 0.00 O ATOM 616 CB ASN A 106 -15.958 3.943 -6.706 1.00 0.00 C ATOM 617 CG ASN A 106 -17.022 4.981 -6.322 1.00 0.00 C ATOM 618 OD1 ASN A 106 -17.969 5.244 -7.046 1.00 0.00 O ATOM 619 ND2 ASN A 106 -16.753 5.703 -5.260 1.00 0.00 N ATOM 0 H ASN A 106 -14.667 2.675 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.314 5.521 -8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.417 3.110 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.490 3.532 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.341 6.503 -5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.956 5.464 -4.670 1.00 0.00 H new ATOM 620 N HIS A 107 -12.644 5.386 -7.545 1.00 0.00 N ATOM 621 CA HIS A 107 -11.380 6.102 -7.199 1.00 0.00 C ATOM 622 C HIS A 107 -10.381 5.230 -6.436 1.00 0.00 C ATOM 623 O HIS A 107 -9.175 5.443 -6.563 1.00 0.00 O ATOM 624 CB HIS A 107 -11.564 7.380 -6.365 1.00 0.00 C ATOM 625 CG HIS A 107 -12.767 8.234 -6.739 1.00 0.00 C ATOM 626 ND1 HIS A 107 -13.233 8.487 -7.963 1.00 0.00 N ATOM 627 CD2 HIS A 107 -13.649 8.709 -5.865 1.00 0.00 C ATOM 628 CE1 HIS A 107 -14.391 9.118 -7.833 1.00 0.00 C ATOM 629 NE2 HIS A 107 -14.648 9.248 -6.544 1.00 0.00 N ATOM 0 H HIS A 107 -12.611 5.023 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 107 -10.999 6.367 -8.185 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -11.651 7.100 -5.315 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.664 7.988 -6.459 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -12.779 8.239 -8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.565 8.663 -4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -15.017 9.466 -8.642 1.00 0.00 H new ATOM 630 N TYR A 108 -10.903 4.374 -5.568 1.00 0.00 N ATOM 631 CA TYR A 108 -10.101 3.447 -4.746 1.00 0.00 C ATOM 632 C TYR A 108 -9.195 2.560 -5.598 1.00 0.00 C ATOM 633 O TYR A 108 -9.637 1.693 -6.358 1.00 0.00 O ATOM 634 CB TYR A 108 -10.985 2.586 -3.848 1.00 0.00 C ATOM 635 CG TYR A 108 -11.880 3.421 -2.938 1.00 0.00 C ATOM 636 CD1 TYR A 108 -11.280 4.299 -2.019 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.273 3.431 -3.193 1.00 0.00 C ATOM 638 CE1 TYR A 108 -12.094 5.240 -1.371 1.00 0.00 C ATOM 639 CE2 TYR A 108 -14.082 4.392 -2.551 1.00 0.00 C ATOM 640 CZ TYR A 108 -13.474 5.288 -1.647 1.00 0.00 C ATOM 641 OH TYR A 108 -14.204 6.272 -1.044 1.00 0.00 O ATOM 0 H TYR A 108 -11.907 4.295 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.465 4.067 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.605 1.938 -4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.356 1.937 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.220 4.250 -1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -13.710 2.712 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.662 5.928 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.143 4.441 -2.747 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.621 6.799 -0.458 1.00 0.00 H new ATOM 642 N ASN A 109 -7.942 2.939 -5.540 1.00 0.00 N ATOM 643 CA ASN A 109 -6.876 2.262 -6.276 1.00 0.00 C ATOM 644 C ASN A 109 -6.333 1.091 -5.444 1.00 0.00 C ATOM 645 O ASN A 109 -6.225 1.144 -4.219 1.00 0.00 O ATOM 646 CB ASN A 109 -5.792 3.306 -6.541 1.00 0.00 C ATOM 647 CG ASN A 109 -5.981 4.057 -7.868 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.489 3.673 -8.916 1.00 0.00 O ATOM 649 ND2 ASN A 109 -6.745 5.126 -7.881 1.00 0.00 N ATOM 0 H ASN A 109 -7.620 3.729 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.236 1.848 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.783 4.026 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.819 2.816 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.917 5.619 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.166 5.463 -7.015 1.00 0.00 H new ATOM 650 N THR A 110 -6.385 -0.033 -6.134 1.00 0.00 N ATOM 651 CA THR A 110 -5.853 -1.317 -5.643 1.00 0.00 C ATOM 652 C THR A 110 -4.579 -1.655 -6.443 1.00 0.00 C ATOM 653 O THR A 110 -4.423 -1.227 -7.589 1.00 0.00 O ATOM 654 CB THR A 110 -6.931 -2.400 -5.731 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.492 -2.442 -7.051 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.059 -2.160 -4.722 1.00 0.00 C ATOM 0 H THR A 110 -6.800 -0.094 -7.064 1.00 0.00 H new ATOM 0 HA THR A 110 -5.577 -1.253 -4.591 1.00 0.00 H new ATOM 0 HB THR A 110 -6.450 -3.350 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.070 -1.755 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.805 -2.950 -4.815 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.650 -2.164 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.526 -1.195 -4.920 1.00 0.00 H new ATOM 657 N TYR A 111 -3.701 -2.455 -5.848 1.00 0.00 N ATOM 658 CA TYR A 111 -2.294 -2.541 -6.276 1.00 0.00 C ATOM 659 C TYR A 111 -1.634 -3.918 -6.111 1.00 0.00 C ATOM 660 O TYR A 111 -1.099 -4.219 -5.036 1.00 0.00 O ATOM 661 CB TYR A 111 -1.467 -1.502 -5.503 1.00 0.00 C ATOM 662 CG TYR A 111 -1.819 -0.042 -5.813 1.00 0.00 C ATOM 663 CD1 TYR A 111 -1.513 0.441 -7.100 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.358 0.783 -4.806 1.00 0.00 C ATOM 665 CE1 TYR A 111 -1.749 1.788 -7.396 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.595 2.142 -5.107 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.303 2.622 -6.398 1.00 0.00 C ATOM 668 OH TYR A 111 -2.672 3.887 -6.750 1.00 0.00 O ATOM 0 H TYR A 111 -3.934 -3.061 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.309 -2.348 -7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.599 -1.674 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.411 -1.661 -5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.102 -0.220 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.584 0.386 -3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.512 2.185 -8.372 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.996 2.806 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.576 3.998 -7.719 1.00 0.00 H new ATOM 669 N ILE A 112 -1.568 -4.700 -7.187 1.00 0.00 N ATOM 670 CA ILE A 112 -0.810 -5.980 -7.162 1.00 0.00 C ATOM 671 C ILE A 112 0.687 -5.638 -7.100 1.00 0.00 C ATOM 672 O ILE A 112 1.212 -4.981 -8.002 1.00 0.00 O ATOM 673 CB ILE A 112 -0.975 -6.874 -8.416 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.434 -7.149 -8.805 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.158 -8.180 -8.339 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.212 -8.136 -7.936 1.00 0.00 C ATOM 0 H ILE A 112 -2.016 -4.488 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.200 -6.531 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.556 -6.275 -9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.970 -6.200 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.447 -7.518 -9.831 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.316 -8.762 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.901 -7.941 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.481 -8.761 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.227 -8.238 -8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.717 -9.107 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.248 -7.768 -6.911 1.00 0.00 H new ATOM 677 N SER A 113 1.395 -6.288 -6.181 1.00 0.00 N ATOM 678 CA SER A 113 2.874 -6.243 -6.166 1.00 0.00 C ATOM 679 C SER A 113 3.374 -7.050 -7.360 1.00 0.00 C ATOM 680 O SER A 113 3.058 -8.235 -7.475 1.00 0.00 O ATOM 681 CB SER A 113 3.455 -6.806 -4.862 1.00 0.00 C ATOM 682 OG SER A 113 4.882 -6.646 -4.853 1.00 0.00 O ATOM 0 H SER A 113 0.983 -6.851 -5.437 1.00 0.00 H new ATOM 0 HA SER A 113 3.202 -5.206 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.017 -6.291 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.198 -7.861 -4.765 1.00 0.00 H new ATOM 0 HG SER A 113 5.106 -5.725 -4.603 1.00 0.00 H new ATOM 683 N LYS A 114 3.994 -6.344 -8.295 1.00 0.00 N ATOM 684 CA LYS A 114 4.544 -6.928 -9.538 1.00 0.00 C ATOM 685 C LYS A 114 5.347 -8.211 -9.273 1.00 0.00 C ATOM 686 O LYS A 114 5.144 -9.216 -9.958 1.00 0.00 O ATOM 687 CB LYS A 114 5.366 -5.836 -10.220 1.00 0.00 C ATOM 688 CG LYS A 114 6.204 -6.270 -11.427 1.00 0.00 C ATOM 689 CD LYS A 114 5.410 -6.887 -12.578 1.00 0.00 C ATOM 690 CE LYS A 114 4.630 -5.829 -13.353 1.00 0.00 C ATOM 691 NZ LYS A 114 3.868 -6.486 -14.422 1.00 0.00 N ATOM 0 H LYS A 114 4.138 -5.337 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 114 3.739 -7.249 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.686 -5.047 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.035 -5.398 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.747 -5.403 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.949 -6.992 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.091 -7.406 -13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.720 -7.634 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.956 -5.293 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.313 -5.092 -13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.333 -5.772 -14.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.523 -6.979 -15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.208 -7.174 -14.006 1.00 0.00 H new ATOM 692 N LYS A 115 6.157 -8.182 -8.225 1.00 0.00 N ATOM 693 CA LYS A 115 6.863 -9.388 -7.752 1.00 0.00 C ATOM 694 C LYS A 115 5.865 -10.512 -7.383 1.00 0.00 C ATOM 695 O LYS A 115 5.862 -11.596 -7.973 1.00 0.00 O ATOM 696 CB LYS A 115 7.769 -9.057 -6.555 1.00 0.00 C ATOM 697 CG LYS A 115 8.551 -10.331 -6.245 1.00 0.00 C ATOM 698 CD LYS A 115 8.717 -10.635 -4.762 1.00 0.00 C ATOM 699 CE LYS A 115 8.803 -12.156 -4.648 1.00 0.00 C ATOM 700 NZ LYS A 115 10.125 -12.670 -5.051 1.00 0.00 N ATOM 0 H LYS A 115 6.349 -7.342 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 115 7.489 -9.747 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.444 -8.235 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.178 -8.745 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.048 -11.173 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.539 -10.253 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.616 -10.163 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.875 -10.248 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.597 -12.454 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.033 -12.610 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.138 -13.706 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.312 -12.409 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.859 -12.258 -4.440 1.00 0.00 H new ATOM 701 N HIS A 116 4.946 -10.171 -6.492 1.00 0.00 N ATOM 702 CA HIS A 116 3.932 -11.092 -5.949 1.00 0.00 C ATOM 703 C HIS A 116 2.685 -11.244 -6.844 1.00 0.00 C ATOM 704 O HIS A 116 1.640 -11.691 -6.372 1.00 0.00 O ATOM 705 CB HIS A 116 3.546 -10.592 -4.554 1.00 0.00 C ATOM 706 CG HIS A 116 4.738 -10.559 -3.618 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.264 -9.467 -3.075 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.429 -11.603 -3.180 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.264 -9.852 -2.287 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.361 -11.163 -2.353 1.00 0.00 N ATOM 0 H HIS A 116 4.874 -9.227 -6.111 1.00 0.00 H new ATOM 0 HA HIS A 116 4.368 -12.090 -5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.117 -9.593 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.774 -11.239 -4.137 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.957 -8.507 -3.233 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.259 -12.634 -3.452 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.889 -9.201 -1.695 1.00 0.00 H new ATOM 711 N ALA A 117 2.893 -11.096 -8.156 1.00 0.00 N ATOM 712 CA ALA A 117 1.868 -11.386 -9.172 1.00 0.00 C ATOM 713 C ALA A 117 1.472 -12.869 -9.118 1.00 0.00 C ATOM 714 O ALA A 117 0.284 -13.188 -9.101 1.00 0.00 O ATOM 715 CB ALA A 117 2.385 -11.017 -10.559 1.00 0.00 C ATOM 0 H ALA A 117 3.777 -10.771 -8.547 1.00 0.00 H new ATOM 0 HA ALA A 117 0.982 -10.786 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.619 -11.236 -11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.625 -9.954 -10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.281 -11.597 -10.780 1.00 0.00 H new ATOM 716 N GLU A 118 2.455 -13.693 -8.749 1.00 0.00 N ATOM 717 CA GLU A 118 2.260 -15.152 -8.571 1.00 0.00 C ATOM 718 C GLU A 118 1.423 -15.572 -7.347 1.00 0.00 C ATOM 719 O GLU A 118 1.026 -16.725 -7.220 1.00 0.00 O ATOM 720 CB GLU A 118 3.606 -15.885 -8.657 1.00 0.00 C ATOM 721 CG GLU A 118 4.668 -15.302 -7.720 1.00 0.00 C ATOM 722 CD GLU A 118 6.038 -15.966 -7.903 1.00 0.00 C ATOM 723 OE1 GLU A 118 6.756 -15.541 -8.831 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.349 -16.853 -7.077 1.00 0.00 O ATOM 0 H GLU A 118 3.408 -13.380 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 118 1.633 -15.468 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.456 -16.937 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.972 -15.842 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.759 -14.231 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.343 -15.424 -6.687 1.00 0.00 H new ATOM 725 N LYS A 119 1.174 -14.595 -6.462 1.00 0.00 N ATOM 726 CA LYS A 119 0.327 -14.731 -5.273 1.00 0.00 C ATOM 727 C LYS A 119 -0.878 -13.759 -5.256 1.00 0.00 C ATOM 728 O LYS A 119 -1.766 -13.922 -4.417 1.00 0.00 O ATOM 729 CB LYS A 119 1.223 -14.492 -4.054 1.00 0.00 C ATOM 730 CG LYS A 119 2.040 -15.751 -3.716 1.00 0.00 C ATOM 731 CD LYS A 119 3.428 -15.386 -3.171 1.00 0.00 C ATOM 732 CE LYS A 119 4.338 -14.895 -4.298 1.00 0.00 C ATOM 733 NZ LYS A 119 5.669 -14.603 -3.766 1.00 0.00 N ATOM 0 H LYS A 119 1.570 -13.660 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.111 -15.729 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.897 -13.659 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.611 -14.211 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.503 -16.348 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.148 -16.367 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.333 -14.612 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.875 -16.255 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.406 -15.652 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.915 -14.001 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.134 -13.891 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.583 -14.236 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.238 -15.473 -3.757 1.00 0.00 H new ATOM 734 N ASN A 120 -0.960 -12.897 -6.267 1.00 0.00 N ATOM 735 CA ASN A 120 -1.971 -11.808 -6.435 1.00 0.00 C ATOM 736 C ASN A 120 -2.027 -10.804 -5.273 1.00 0.00 C ATOM 737 O ASN A 120 -3.043 -10.145 -5.052 1.00 0.00 O ATOM 738 CB ASN A 120 -3.374 -12.398 -6.651 1.00 0.00 C ATOM 739 CG ASN A 120 -3.430 -13.378 -7.824 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.751 -13.036 -8.958 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.174 -14.627 -7.537 1.00 0.00 N ATOM 0 H ASN A 120 -0.297 -12.925 -7.042 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.641 -11.254 -7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.693 -12.908 -5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.081 -11.587 -6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.239 -15.341 -8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -2.909 -14.888 -6.587 1.00 0.00 H new ATOM 742 N TRP A 121 -0.887 -10.567 -4.647 1.00 0.00 N ATOM 743 CA TRP A 121 -0.857 -9.738 -3.424 1.00 0.00 C ATOM 744 C TRP A 121 -0.978 -8.230 -3.655 1.00 0.00 C ATOM 745 O TRP A 121 -0.097 -7.594 -4.243 1.00 0.00 O ATOM 746 CB TRP A 121 0.369 -10.009 -2.561 1.00 0.00 C ATOM 747 CG TRP A 121 0.408 -11.415 -1.959 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.608 -12.269 -1.880 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.486 -11.968 -1.294 1.00 0.00 C ATOM 750 NE1 TRP A 121 -0.217 -13.357 -1.219 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.047 -13.207 -0.811 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.791 -11.510 -1.025 1.00 0.00 C ATOM 753 CZ2 TRP A 121 1.877 -14.004 0.003 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.644 -12.321 -0.265 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.187 -13.539 0.271 1.00 0.00 C ATOM 0 H TRP A 121 0.021 -10.923 -4.947 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.758 -10.053 -2.898 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.265 -9.858 -3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.401 -9.278 -1.753 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.595 -12.106 -2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.795 -14.180 -1.050 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.127 -10.553 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 1.525 -14.940 0.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.663 -12.008 -0.089 1.00 0.00 H new ATOM 0 HH2 TRP A 121 3.844 -14.127 0.895 1.00 0.00 H new ATOM 756 N PHE A 122 -2.071 -7.702 -3.139 1.00 0.00 N ATOM 757 CA PHE A 122 -2.305 -6.261 -3.101 1.00 0.00 C ATOM 758 C PHE A 122 -1.859 -5.677 -1.748 1.00 0.00 C ATOM 759 O PHE A 122 -1.864 -6.368 -0.731 1.00 0.00 O ATOM 760 CB PHE A 122 -3.790 -5.914 -3.281 1.00 0.00 C ATOM 761 CG PHE A 122 -4.484 -6.480 -4.520 1.00 0.00 C ATOM 762 CD1 PHE A 122 -4.873 -7.838 -4.534 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.967 -5.580 -5.496 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.755 -8.315 -5.533 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.854 -6.040 -6.491 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.235 -7.403 -6.502 1.00 0.00 C ATOM 0 H PHE A 122 -2.825 -8.255 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.728 -5.835 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.330 -6.262 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.885 -4.828 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.496 -8.514 -3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.659 -4.545 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.055 -9.352 -5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.238 -5.360 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.909 -7.755 -7.269 1.00 0.00 H new ATOM 767 N VAL A 123 -1.414 -4.422 -1.788 1.00 0.00 N ATOM 768 CA VAL A 123 -1.223 -3.640 -0.549 1.00 0.00 C ATOM 769 C VAL A 123 -2.603 -3.333 0.071 1.00 0.00 C ATOM 770 O VAL A 123 -3.540 -3.056 -0.677 1.00 0.00 O ATOM 771 CB VAL A 123 -0.424 -2.345 -0.702 1.00 0.00 C ATOM 772 CG1 VAL A 123 1.031 -2.683 -1.006 1.00 0.00 C ATOM 773 CG2 VAL A 123 -0.945 -1.361 -1.746 1.00 0.00 C ATOM 0 H VAL A 123 -1.180 -3.923 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.615 -4.267 0.103 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.534 -1.829 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.603 -1.762 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.446 -3.273 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.086 -3.256 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.303 -0.481 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.944 -1.836 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.961 -1.062 -1.489 1.00 0.00 H new ATOM 774 N GLY A 124 -2.662 -3.226 1.389 1.00 0.00 N ATOM 775 CA GLY A 124 -3.969 -3.145 2.076 1.00 0.00 C ATOM 776 C GLY A 124 -3.923 -2.732 3.533 1.00 0.00 C ATOM 777 O GLY A 124 -3.185 -3.264 4.360 1.00 0.00 O ATOM 0 H GLY A 124 -1.849 -3.193 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.598 -2.437 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.455 -4.119 2.009 1.00 0.00 H new ATOM 778 N LEU A 125 -4.925 -1.933 3.828 1.00 0.00 N ATOM 779 CA LEU A 125 -5.097 -1.268 5.128 1.00 0.00 C ATOM 780 C LEU A 125 -5.678 -2.179 6.189 1.00 0.00 C ATOM 781 O LEU A 125 -6.884 -2.362 6.350 1.00 0.00 O ATOM 782 CB LEU A 125 -5.837 0.045 4.883 1.00 0.00 C ATOM 783 CG LEU A 125 -4.815 1.175 4.800 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.613 0.919 3.900 1.00 0.00 C ATOM 785 CD2 LEU A 125 -5.521 2.461 4.352 1.00 0.00 C ATOM 0 H LEU A 125 -5.667 -1.714 3.164 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.132 -1.019 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.413 -0.012 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.546 0.235 5.689 1.00 0.00 H new ATOM 0 HG LEU A 125 -4.401 1.260 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.954 1.787 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.070 0.044 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.953 0.742 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.795 3.272 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.974 2.305 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -6.296 2.721 5.073 1.00 0.00 H new ATOM 786 N LYS A 126 -4.738 -2.856 6.824 1.00 0.00 N ATOM 787 CA LYS A 126 -5.016 -3.873 7.823 1.00 0.00 C ATOM 788 C LYS A 126 -5.901 -3.296 8.959 1.00 0.00 C ATOM 789 O LYS A 126 -5.485 -2.410 9.714 1.00 0.00 O ATOM 790 CB LYS A 126 -3.702 -4.420 8.372 1.00 0.00 C ATOM 791 CG LYS A 126 -3.681 -5.877 8.876 1.00 0.00 C ATOM 792 CD LYS A 126 -4.606 -6.155 10.073 1.00 0.00 C ATOM 793 CE LYS A 126 -4.321 -5.247 11.282 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.174 -5.749 12.050 1.00 0.00 N ATOM 0 H LYS A 126 -3.742 -2.712 6.657 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.569 -4.690 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.948 -4.326 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.390 -3.777 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.964 -6.536 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.660 -6.136 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.642 -6.021 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.496 -7.197 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.120 -4.231 10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.201 -5.200 11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.998 -5.122 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.379 -6.709 12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.331 -5.771 11.441 1.00 0.00 H new ATOM 795 N LYS A 127 -7.033 -3.986 9.105 1.00 0.00 N ATOM 796 CA LYS A 127 -8.251 -3.656 9.892 1.00 0.00 C ATOM 797 C LYS A 127 -8.174 -3.399 11.409 1.00 0.00 C ATOM 798 O LYS A 127 -9.128 -3.638 12.155 1.00 0.00 O ATOM 799 CB LYS A 127 -9.240 -4.776 9.568 1.00 0.00 C ATOM 800 CG LYS A 127 -10.064 -4.502 8.309 1.00 0.00 C ATOM 801 CD LYS A 127 -11.160 -3.497 8.639 1.00 0.00 C ATOM 802 CE LYS A 127 -12.124 -3.307 7.468 1.00 0.00 C ATOM 803 NZ LYS A 127 -13.300 -2.588 7.961 1.00 0.00 N ATOM 0 H LYS A 127 -7.144 -4.883 8.632 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.535 -2.651 9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.693 -5.710 9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.914 -4.914 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.423 -4.113 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.503 -5.428 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.713 -3.836 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.709 -2.539 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.643 -2.747 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -12.414 -4.272 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -13.811 -2.167 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -13.927 -3.250 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.999 -1.836 8.613 1.00 0.00 H new ATOM 804 N ASN A 128 -7.039 -2.885 11.870 1.00 0.00 N ATOM 805 CA ASN A 128 -6.802 -2.452 13.258 1.00 0.00 C ATOM 806 C ASN A 128 -6.196 -1.042 13.222 1.00 0.00 C ATOM 807 O ASN A 128 -6.886 -0.069 13.495 1.00 0.00 O ATOM 808 CB ASN A 128 -5.853 -3.451 13.932 1.00 0.00 C ATOM 809 CG ASN A 128 -6.422 -4.777 14.440 1.00 0.00 C ATOM 810 OD1 ASN A 128 -5.721 -5.549 15.068 1.00 0.00 O ATOM 811 ND2 ASN A 128 -7.670 -5.112 14.175 1.00 0.00 N ATOM 0 H ASN A 128 -6.224 -2.750 11.272 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.729 -2.423 13.830 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.059 -3.682 13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.387 -2.945 14.778 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -8.036 -6.008 14.495 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.269 -4.475 13.650 1.00 0.00 H new ATOM 812 N GLY A 129 -4.879 -1.005 12.997 1.00 0.00 N ATOM 813 CA GLY A 129 -4.148 0.227 12.634 1.00 0.00 C ATOM 814 C GLY A 129 -2.841 -0.077 11.910 1.00 0.00 C ATOM 815 O GLY A 129 -1.792 0.496 12.219 1.00 0.00 O ATOM 0 H GLY A 129 -4.281 -1.829 13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.778 0.849 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.938 0.803 13.535 1.00 0.00 H new ATOM 816 N SER A 130 -2.940 -0.984 10.941 1.00 0.00 N ATOM 817 CA SER A 130 -1.782 -1.433 10.158 1.00 0.00 C ATOM 818 C SER A 130 -2.007 -1.459 8.638 1.00 0.00 C ATOM 819 O SER A 130 -3.022 -0.944 8.164 1.00 0.00 O ATOM 820 CB SER A 130 -1.315 -2.807 10.651 1.00 0.00 C ATOM 821 OG SER A 130 -0.774 -2.697 11.972 1.00 0.00 O ATOM 0 H SER A 130 -3.818 -1.429 10.674 1.00 0.00 H new ATOM 0 HA SER A 130 -1.006 -0.685 10.323 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.151 -3.506 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.562 -3.209 9.973 1.00 0.00 H new ATOM 0 HG SER A 130 0.073 -2.206 11.939 1.00 0.00 H new ATOM 822 N CYS A 131 -0.917 -1.692 7.928 1.00 0.00 N ATOM 823 CA CYS A 131 -0.938 -1.922 6.464 1.00 0.00 C ATOM 824 C CYS A 131 -0.354 -3.296 6.099 1.00 0.00 C ATOM 825 O CYS A 131 -0.861 -3.963 5.207 1.00 0.00 O ATOM 826 CB CYS A 131 -0.104 -0.886 5.717 1.00 0.00 C ATOM 827 SG CYS A 131 -0.721 0.826 5.738 1.00 0.00 S ATOM 0 H CYS A 131 0.017 -1.730 8.336 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.987 -1.856 6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.902 -0.891 6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.017 -1.204 4.678 1.00 0.00 H new ATOM 0 HG CYS A 131 0.187 1.621 5.254 1.00 0.00 H new ATOM 828 N LYS A 132 0.728 -3.684 6.769 1.00 0.00 N ATOM 829 CA LYS A 132 1.531 -4.860 6.410 1.00 0.00 C ATOM 830 C LYS A 132 0.820 -6.221 6.292 1.00 0.00 C ATOM 831 O LYS A 132 0.530 -6.913 7.261 1.00 0.00 O ATOM 832 CB LYS A 132 2.837 -4.864 7.250 1.00 0.00 C ATOM 833 CG LYS A 132 2.788 -5.455 8.663 1.00 0.00 C ATOM 834 CD LYS A 132 1.774 -4.793 9.589 1.00 0.00 C ATOM 835 CE LYS A 132 1.475 -5.644 10.842 1.00 0.00 C ATOM 836 NZ LYS A 132 0.951 -6.967 10.478 1.00 0.00 N ATOM 0 H LYS A 132 1.080 -3.187 7.587 1.00 0.00 H new ATOM 0 HA LYS A 132 1.780 -4.733 5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 132 3.593 -5.411 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.183 -3.834 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 132 2.556 -6.518 8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 132 3.778 -5.374 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 132 2.151 -3.818 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 132 0.847 -4.618 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 132 2.385 -5.761 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 132 0.752 -5.125 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 0.066 -7.144 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 0.767 -6.998 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 1.649 -7.697 10.726 1.00 0.00 H new ATOM 837 N ARG A 133 0.370 -6.442 5.055 1.00 0.00 N ATOM 838 CA ARG A 133 -0.252 -7.708 4.649 1.00 0.00 C ATOM 839 C ARG A 133 -0.106 -8.022 3.148 1.00 0.00 C ATOM 840 O ARG A 133 0.309 -7.159 2.377 1.00 0.00 O ATOM 841 CB ARG A 133 -1.742 -7.691 5.021 1.00 0.00 C ATOM 842 CG ARG A 133 -2.180 -9.052 5.563 1.00 0.00 C ATOM 843 CD ARG A 133 -1.705 -9.310 6.994 1.00 0.00 C ATOM 844 NE ARG A 133 -0.567 -10.243 6.974 1.00 0.00 N ATOM 845 CZ ARG A 133 -0.610 -11.554 7.233 1.00 0.00 C ATOM 846 NH1 ARG A 133 -1.728 -12.171 7.624 1.00 0.00 N ATOM 847 NH2 ARG A 133 0.492 -12.278 7.132 1.00 0.00 N ATOM 0 H ARG A 133 0.425 -5.751 4.307 1.00 0.00 H new ATOM 0 HA ARG A 133 0.279 -8.495 5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.926 -6.920 5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.338 -7.434 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -3.268 -9.116 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.795 -9.837 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -1.411 -8.372 7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.519 -9.725 7.589 1.00 0.00 H new ATOM 0 HE ARG A 133 0.345 -9.851 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.592 -11.640 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.718 -13.174 7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.369 -11.836 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.465 -13.279 7.328 1.00 0.00 H new ATOM 848 N GLY A 134 -0.221 -9.310 2.870 1.00 0.00 N ATOM 849 CA GLY A 134 -0.092 -9.922 1.524 1.00 0.00 C ATOM 850 C GLY A 134 -1.186 -10.972 1.206 1.00 0.00 C ATOM 851 O GLY A 134 -2.062 -10.689 0.386 1.00 0.00 O ATOM 0 H GLY A 134 -0.415 -10.001 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.129 -9.134 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 134 0.887 -10.395 1.443 1.00 0.00 H new ATOM 852 N PRO A 135 -1.156 -12.165 1.824 1.00 0.00 N ATOM 853 CA PRO A 135 -2.010 -13.300 1.415 1.00 0.00 C ATOM 854 C PRO A 135 -3.502 -13.213 1.737 1.00 0.00 C ATOM 855 O PRO A 135 -4.320 -13.893 1.119 1.00 0.00 O ATOM 856 CB PRO A 135 -1.286 -14.521 1.977 1.00 0.00 C ATOM 857 CG PRO A 135 -0.731 -14.000 3.301 1.00 0.00 C ATOM 858 CD PRO A 135 -0.318 -12.565 2.980 1.00 0.00 C ATOM 0 HA PRO A 135 -2.107 -13.332 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.964 -15.362 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.493 -14.864 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.481 -14.034 4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.117 -14.594 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.485 -11.908 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 135 0.743 -12.506 2.736 1.00 0.00 H new ATOM 859 N ARG A 136 -3.808 -12.462 2.792 1.00 0.00 N ATOM 860 CA ARG A 136 -5.183 -12.043 3.124 1.00 0.00 C ATOM 861 C ARG A 136 -5.747 -11.063 2.079 1.00 0.00 C ATOM 862 O ARG A 136 -6.864 -11.250 1.587 1.00 0.00 O ATOM 863 CB ARG A 136 -5.047 -11.356 4.482 1.00 0.00 C ATOM 864 CG ARG A 136 -6.374 -10.806 5.026 1.00 0.00 C ATOM 865 CD ARG A 136 -6.083 -9.743 6.087 1.00 0.00 C ATOM 866 NE ARG A 136 -7.158 -8.738 6.065 1.00 0.00 N ATOM 867 CZ ARG A 136 -7.003 -7.415 5.973 1.00 0.00 C ATOM 868 NH1 ARG A 136 -5.804 -6.835 5.880 1.00 0.00 N ATOM 869 NH2 ARG A 136 -8.082 -6.646 5.974 1.00 0.00 N ATOM 0 H ARG A 136 -3.109 -12.120 3.451 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.872 -12.887 3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.636 -12.066 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.332 -10.538 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.962 -10.376 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.967 -11.613 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.018 -10.203 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.121 -9.270 5.892 1.00 0.00 H new ATOM 0 HE ARG A 136 -8.115 -9.086 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.960 -7.407 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.732 -5.820 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.008 -7.067 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -7.986 -5.633 5.905 1.00 0.00 H new ATOM 870 N THR A 137 -4.889 -10.147 1.633 1.00 0.00 N ATOM 871 CA THR A 137 -5.256 -8.969 0.833 1.00 0.00 C ATOM 872 C THR A 137 -5.414 -9.212 -0.670 1.00 0.00 C ATOM 873 O THR A 137 -4.488 -9.060 -1.470 1.00 0.00 O ATOM 874 CB THR A 137 -4.286 -7.815 1.116 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.956 -8.316 1.238 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.720 -7.005 2.341 1.00 0.00 C ATOM 0 H THR A 137 -3.888 -10.201 1.821 1.00 0.00 H new ATOM 0 HA THR A 137 -6.261 -8.701 1.160 1.00 0.00 H new ATOM 0 HB THR A 137 -4.306 -7.124 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.837 -9.078 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.010 -6.196 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.712 -6.587 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.747 -7.655 3.216 1.00 0.00 H new ATOM 877 N HIS A 138 -6.656 -9.569 -0.969 1.00 0.00 N ATOM 878 CA HIS A 138 -7.178 -9.800 -2.327 1.00 0.00 C ATOM 879 C HIS A 138 -8.504 -9.031 -2.529 1.00 0.00 C ATOM 880 O HIS A 138 -9.147 -8.615 -1.554 1.00 0.00 O ATOM 881 CB HIS A 138 -7.396 -11.315 -2.516 1.00 0.00 C ATOM 882 CG HIS A 138 -8.579 -11.881 -1.729 1.00 0.00 C ATOM 883 ND1 HIS A 138 -8.613 -12.206 -0.437 1.00 0.00 N ATOM 884 CD2 HIS A 138 -9.787 -12.112 -2.233 1.00 0.00 C ATOM 885 CE1 HIS A 138 -9.840 -12.635 -0.143 1.00 0.00 C ATOM 886 NE2 HIS A 138 -10.560 -12.578 -1.262 1.00 0.00 N ATOM 0 H HIS A 138 -7.363 -9.714 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.465 -9.437 -3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.548 -11.519 -3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.490 -11.841 -2.217 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -7.832 -12.138 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -10.087 -11.948 -3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -10.187 -12.968 0.824 1.00 0.00 H new ATOM 887 N TYR A 139 -8.827 -8.741 -3.788 1.00 0.00 N ATOM 888 CA TYR A 139 -10.137 -8.161 -4.169 1.00 0.00 C ATOM 889 C TYR A 139 -11.356 -8.759 -3.449 1.00 0.00 C ATOM 890 O TYR A 139 -11.670 -9.934 -3.577 1.00 0.00 O ATOM 891 CB TYR A 139 -10.350 -8.222 -5.683 1.00 0.00 C ATOM 892 CG TYR A 139 -10.445 -6.808 -6.273 1.00 0.00 C ATOM 893 CD1 TYR A 139 -11.479 -5.921 -5.889 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.388 -6.380 -7.104 1.00 0.00 C ATOM 895 CE1 TYR A 139 -11.426 -4.574 -6.304 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.328 -5.038 -7.515 1.00 0.00 C ATOM 897 CZ TYR A 139 -10.340 -4.152 -7.101 1.00 0.00 C ATOM 898 OH TYR A 139 -10.126 -2.820 -7.256 1.00 0.00 O ATOM 0 H TYR A 139 -8.200 -8.896 -4.577 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.075 -7.125 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.526 -8.762 -6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -11.262 -8.777 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -12.301 -6.273 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -8.630 -7.080 -7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.201 -3.879 -6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.518 -4.692 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 139 -9.167 -2.633 -7.187 1.00 0.00 H new ATOM 899 N GLY A 140 -11.886 -7.908 -2.584 1.00 0.00 N ATOM 900 CA GLY A 140 -13.042 -8.216 -1.719 1.00 0.00 C ATOM 901 C GLY A 140 -12.806 -7.640 -0.319 1.00 0.00 C ATOM 902 O GLY A 140 -13.689 -6.989 0.240 1.00 0.00 O ATOM 0 H GLY A 140 -11.526 -6.963 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.952 -7.795 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.187 -9.295 -1.659 1.00 0.00 H new ATOM 903 N GLN A 141 -11.554 -7.744 0.128 1.00 0.00 N ATOM 904 CA GLN A 141 -11.093 -7.170 1.400 1.00 0.00 C ATOM 905 C GLN A 141 -11.218 -5.655 1.388 1.00 0.00 C ATOM 906 O GLN A 141 -10.570 -4.951 0.609 1.00 0.00 O ATOM 907 CB GLN A 141 -9.616 -7.477 1.640 1.00 0.00 C ATOM 908 CG GLN A 141 -9.270 -8.979 1.707 1.00 0.00 C ATOM 909 CD GLN A 141 -9.858 -9.668 2.949 1.00 0.00 C ATOM 910 OE1 GLN A 141 -9.891 -9.164 4.054 1.00 0.00 O ATOM 911 NE2 GLN A 141 -10.283 -10.904 2.774 1.00 0.00 N ATOM 0 H GLN A 141 -10.821 -8.233 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.714 -7.611 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -9.030 -7.019 0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.308 -7.006 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.644 -9.474 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.187 -9.098 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -10.255 -11.326 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.640 -11.438 3.567 1.00 0.00 H new ATOM 912 N LYS A 142 -11.806 -5.227 2.488 1.00 0.00 N ATOM 913 CA LYS A 142 -12.036 -3.814 2.830 1.00 0.00 C ATOM 914 C LYS A 142 -10.775 -3.242 3.511 1.00 0.00 C ATOM 915 O LYS A 142 -10.697 -2.953 4.701 1.00 0.00 O ATOM 916 CB LYS A 142 -13.314 -3.750 3.656 1.00 0.00 C ATOM 917 CG LYS A 142 -14.525 -4.140 2.808 1.00 0.00 C ATOM 918 CD LYS A 142 -14.960 -2.989 1.885 1.00 0.00 C ATOM 919 CE LYS A 142 -16.222 -3.284 1.074 1.00 0.00 C ATOM 920 NZ LYS A 142 -15.978 -4.268 0.010 1.00 0.00 N ATOM 0 H LYS A 142 -12.154 -5.867 3.202 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.192 -3.179 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -13.233 -4.419 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.449 -2.743 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.283 -5.017 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -15.353 -4.418 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.129 -2.097 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -14.145 -2.760 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -17.001 -3.656 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -16.594 -2.359 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -16.860 -4.438 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -15.253 -3.903 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -15.648 -5.160 0.431 1.00 0.00 H new ATOM 921 N ALA A 143 -9.735 -3.409 2.714 1.00 0.00 N ATOM 922 CA ALA A 143 -8.330 -3.136 3.054 1.00 0.00 C ATOM 923 C ALA A 143 -7.554 -2.562 1.862 1.00 0.00 C ATOM 924 O ALA A 143 -7.016 -1.464 1.958 1.00 0.00 O ATOM 925 CB ALA A 143 -7.651 -4.405 3.565 1.00 0.00 C ATOM 0 H ALA A 143 -9.842 -3.756 1.761 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.325 -2.384 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.612 -4.187 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.169 -4.762 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.687 -5.173 2.792 1.00 0.00 H new ATOM 926 N ILE A 144 -7.633 -3.252 0.725 1.00 0.00 N ATOM 927 CA ILE A 144 -6.873 -2.952 -0.511 1.00 0.00 C ATOM 928 C ILE A 144 -7.296 -1.687 -1.274 1.00 0.00 C ATOM 929 O ILE A 144 -6.567 -1.183 -2.128 1.00 0.00 O ATOM 930 CB ILE A 144 -6.857 -4.175 -1.455 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.252 -4.565 -1.948 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.083 -5.304 -0.777 1.00 0.00 C ATOM 933 CD1 ILE A 144 -8.158 -5.373 -3.240 1.00 0.00 C ATOM 0 H ILE A 144 -8.244 -4.063 0.624 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.866 -2.731 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.334 -3.920 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.764 -5.150 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.848 -3.668 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.063 -6.175 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.063 -4.977 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.570 -5.567 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -9.160 -5.641 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.666 -4.776 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.581 -6.280 -3.061 1.00 0.00 H new ATOM 934 N LEU A 145 -8.410 -1.112 -0.827 1.00 0.00 N ATOM 935 CA LEU A 145 -9.163 -0.100 -1.587 1.00 0.00 C ATOM 936 C LEU A 145 -8.844 1.324 -1.105 1.00 0.00 C ATOM 937 O LEU A 145 -9.498 1.843 -0.197 1.00 0.00 O ATOM 938 CB LEU A 145 -10.660 -0.372 -1.408 1.00 0.00 C ATOM 939 CG LEU A 145 -11.104 -1.700 -2.001 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.881 -2.498 -0.958 1.00 0.00 C ATOM 941 CD2 LEU A 145 -11.951 -1.470 -3.251 1.00 0.00 C ATOM 0 H LEU A 145 -8.824 -1.332 0.079 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.877 -0.169 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.900 -0.358 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.227 0.434 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.223 -2.272 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -12.197 -3.448 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -11.244 -2.685 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -12.759 -1.932 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -12.260 -2.431 -3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -12.834 -0.886 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -11.364 -0.929 -3.994 1.00 0.00 H new ATOM 942 N PHE A 146 -7.767 1.890 -1.647 1.00 0.00 N ATOM 943 CA PHE A 146 -7.397 3.287 -1.351 1.00 0.00 C ATOM 944 C PHE A 146 -6.981 4.148 -2.513 1.00 0.00 C ATOM 945 O PHE A 146 -6.183 3.790 -3.382 1.00 0.00 O ATOM 946 CB PHE A 146 -6.375 3.404 -0.213 1.00 0.00 C ATOM 947 CG PHE A 146 -5.327 2.291 -0.203 1.00 0.00 C ATOM 948 CD1 PHE A 146 -4.200 2.381 -1.048 1.00 0.00 C ATOM 949 CD2 PHE A 146 -5.576 1.161 0.591 1.00 0.00 C ATOM 950 CE1 PHE A 146 -3.310 1.292 -1.110 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.689 0.075 0.538 1.00 0.00 C ATOM 952 CZ PHE A 146 -3.571 0.146 -0.314 1.00 0.00 C ATOM 0 H PHE A 146 -7.135 1.413 -2.290 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.354 3.700 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.868 4.366 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -6.905 3.399 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.024 3.269 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -6.441 1.128 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -2.443 1.328 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.862 -0.803 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.894 -0.694 -0.363 1.00 0.00 H new ATOM 953 N LEU A 147 -7.554 5.344 -2.468 1.00 0.00 N ATOM 954 CA LEU A 147 -7.289 6.352 -3.501 1.00 0.00 C ATOM 955 C LEU A 147 -6.084 7.232 -3.137 1.00 0.00 C ATOM 956 O LEU A 147 -5.821 7.490 -1.953 1.00 0.00 O ATOM 957 CB LEU A 147 -8.569 7.136 -3.806 1.00 0.00 C ATOM 958 CG LEU A 147 -9.170 7.916 -2.634 1.00 0.00 C ATOM 959 CD1 LEU A 147 -8.444 9.252 -2.434 1.00 0.00 C ATOM 960 CD2 LEU A 147 -10.646 8.218 -2.906 1.00 0.00 C ATOM 0 H LEU A 147 -8.200 5.643 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.000 5.855 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.359 7.837 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.320 6.438 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 147 -9.062 7.302 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.890 9.787 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -7.390 9.066 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.535 9.854 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -11.065 8.773 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -10.734 8.813 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -11.192 7.283 -3.031 1.00 0.00 H new ATOM 961 N PRO A 148 -5.249 7.531 -4.136 1.00 0.00 N ATOM 962 CA PRO A 148 -4.334 8.675 -4.069 1.00 0.00 C ATOM 963 C PRO A 148 -5.107 9.961 -4.427 1.00 0.00 C ATOM 964 O PRO A 148 -5.228 10.856 -3.603 1.00 0.00 O ATOM 965 CB PRO A 148 -3.181 8.321 -5.026 1.00 0.00 C ATOM 966 CG PRO A 148 -3.782 7.319 -6.020 1.00 0.00 C ATOM 967 CD PRO A 148 -4.911 6.619 -5.253 1.00 0.00 C ATOM 0 HA PRO A 148 -3.920 8.869 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -2.807 9.208 -5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -2.340 7.885 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.163 7.825 -6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.033 6.603 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -5.775 6.447 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -4.590 5.645 -4.882 1.00 0.00 H new ATOM 968 N LEU A 149 -5.777 9.923 -5.582 1.00 0.00 N ATOM 969 CA LEU A 149 -6.611 11.018 -6.109 1.00 0.00 C ATOM 970 C LEU A 149 -7.965 10.455 -6.600 1.00 0.00 C ATOM 971 O LEU A 149 -8.004 9.302 -7.051 1.00 0.00 O ATOM 972 CB LEU A 149 -5.917 11.654 -7.318 1.00 0.00 C ATOM 973 CG LEU A 149 -4.630 12.384 -6.925 1.00 0.00 C ATOM 974 CD1 LEU A 149 -3.699 12.503 -8.137 1.00 0.00 C ATOM 975 CD2 LEU A 149 -4.937 13.755 -6.301 1.00 0.00 C ATOM 0 H LEU A 149 -5.757 9.109 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 149 -6.763 11.750 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -5.685 10.881 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -6.599 12.355 -7.799 1.00 0.00 H new ATOM 0 HG LEU A 149 -4.115 11.799 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -2.787 13.024 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -3.447 11.507 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -4.200 13.063 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -4.004 14.250 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -5.479 14.369 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.546 13.620 -5.407 1.00 0.00 H new ATOM 976 N PRO A 150 -9.049 11.240 -6.505 1.00 0.00 N ATOM 977 CA PRO A 150 -10.299 10.935 -7.231 1.00 0.00 C ATOM 978 C PRO A 150 -10.068 11.102 -8.744 1.00 0.00 C ATOM 979 O PRO A 150 -9.947 12.217 -9.249 1.00 0.00 O ATOM 980 CB PRO A 150 -11.331 11.905 -6.687 1.00 0.00 C ATOM 981 CG PRO A 150 -10.842 12.158 -5.270 1.00 0.00 C ATOM 982 CD PRO A 150 -9.316 12.207 -5.421 1.00 0.00 C ATOM 0 HA PRO A 150 -10.639 9.909 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -11.370 12.824 -7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -12.334 11.477 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -11.236 13.092 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -11.153 11.364 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -8.970 13.207 -5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -8.811 11.925 -4.497 1.00 0.00 H new ATOM 983 N VAL A 151 -9.600 9.986 -9.291 1.00 0.00 N ATOM 984 CA VAL A 151 -9.349 9.814 -10.734 1.00 0.00 C ATOM 985 C VAL A 151 -10.654 9.745 -11.546 1.00 0.00 C ATOM 986 O VAL A 151 -11.258 10.782 -11.820 1.00 0.00 O ATOM 987 CB VAL A 151 -8.382 8.637 -11.006 1.00 0.00 C ATOM 988 CG1 VAL A 151 -6.936 9.087 -10.823 1.00 0.00 C ATOM 989 CG2 VAL A 151 -8.668 7.358 -10.211 1.00 0.00 C ATOM 0 H VAL A 151 -9.378 9.155 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 151 -8.838 10.708 -11.091 1.00 0.00 H new ATOM 0 HB VAL A 151 -8.556 8.355 -12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -6.267 8.249 -11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -6.716 9.896 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -6.791 9.438 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -7.935 6.595 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -8.604 7.571 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -9.669 6.998 -10.449 1.00 0.00 H new ATOM 990 N SER A 152 -11.162 8.542 -11.772 1.00 0.00 N ATOM 991 CA SER A 152 -12.397 8.272 -12.528 1.00 0.00 C ATOM 992 C SER A 152 -13.613 8.634 -11.685 1.00 0.00 C ATOM 993 O SER A 152 -13.947 7.952 -10.722 1.00 0.00 O ATOM 994 CB SER A 152 -12.418 6.802 -12.951 1.00 0.00 C ATOM 995 OG SER A 152 -12.060 6.007 -11.821 1.00 0.00 O ATOM 0 H SER A 152 -10.718 7.692 -11.426 1.00 0.00 H new ATOM 0 HA SER A 152 -12.427 8.887 -13.428 1.00 0.00 H new ATOM 0 HB2 SER A 152 -13.408 6.525 -13.312 1.00 0.00 H new ATOM 0 HB3 SER A 152 -11.720 6.633 -13.771 1.00 0.00 H new ATOM 0 HG SER A 152 -12.797 6.006 -11.175 1.00 0.00 H new ATOM 996 N SER A 153 -14.086 9.838 -11.958 1.00 0.00 N ATOM 997 CA SER A 153 -15.202 10.488 -11.239 1.00 0.00 C ATOM 998 C SER A 153 -16.534 9.762 -11.390 1.00 0.00 C ATOM 999 O SER A 153 -17.124 9.710 -12.469 1.00 0.00 O ATOM 1000 CB SER A 153 -15.302 11.952 -11.670 1.00 0.00 C ATOM 1001 OG SER A 153 -15.293 12.050 -13.095 1.00 0.00 O ATOM 0 H SER A 153 -13.703 10.418 -12.704 1.00 0.00 H new ATOM 0 HA SER A 153 -14.976 10.437 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 153 -16.217 12.393 -11.274 1.00 0.00 H new ATOM 0 HB3 SER A 153 -14.469 12.519 -11.254 1.00 0.00 H new ATOM 0 HG SER A 153 -15.865 11.351 -13.475 1.00 0.00 H new ATOM 1002 N ASP A 154 -16.765 8.914 -10.386 1.00 0.00 N ATOM 1003 CA ASP A 154 -18.059 8.248 -10.144 1.00 0.00 C ATOM 1004 C ASP A 154 -18.466 8.177 -8.658 1.00 0.00 C ATOM 1005 O ASP A 154 -17.545 8.271 -7.812 1.00 0.00 O ATOM 1006 CB ASP A 154 -18.248 6.854 -10.786 1.00 0.00 C ATOM 1007 CG ASP A 154 -17.025 6.129 -11.341 1.00 0.00 C ATOM 1008 OD1 ASP A 154 -15.980 6.165 -10.679 1.00 0.00 O ATOM 1009 OD2 ASP A 154 -17.193 5.506 -12.409 1.00 0.00 O ATOM 1010 OXT ASP A 154 -19.686 8.156 -8.419 1.00 0.00 O ATOM 0 H ASP A 154 -16.050 8.662 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 154 -18.731 8.927 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -18.705 6.206 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -18.966 6.960 -11.599 1.00 0.00 H new TER 1011 ASP A 154